data_2m6t_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 2m6t _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 96.8 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 121.456 0.646 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1517 ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' 1527 ' ' PHE . 21.3 pt20 -148.37 139.55 23.29 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -178.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 57.4 t -130.68 132.73 64.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 19.5 m -99.71 136.34 39.78 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 41.6 t30 -104.91 106.29 54.66 Favored Pre-proline 0 C--N 1.314 -0.967 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 174.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.43 -26.8 55.39 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 124.029 3.153 . . . . 0.0 113.937 -176.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.8 m -60.15 -50.87 71.98 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 122.659 0.384 . . . . 0.0 111.146 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 8.5 p -98.08 -27.24 14.3 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 121.611 0.72 . . . . 0.0 111.896 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 90.51 1.97 73.77 Favored Glycine 0 N--CA 1.441 -0.973 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -175.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -77.23 139.42 39.86 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 124.003 0.921 . . . . 0.0 111.266 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 66.9 tp -105.95 127.16 52.96 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.134 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' 1517 ' ' GLN . 72.0 m-85 -97.45 106.57 18.91 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 175.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.4 p30 -122.29 149.79 43.23 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 92.2 mt -116.3 26.68 9.74 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 121.37 0.605 . . . . 0.0 109.915 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 18.4 m -68.62 -29.9 68.51 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.182 -175.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 7.7 p -72.85 -22.14 60.83 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.982 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 86.2 mt -99.69 -2.6 34.96 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.68 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 17.6 t -76.64 138.34 40.01 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -152.63 153.99 25.23 Favored Glycine 0 CA--C 1.498 -0.991 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -84.1 -40.3 18.45 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.199 0.523 . . . . 0.0 109.922 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -83.96 -20.17 33.37 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 67.7 -134.73 30.36 Favored Glycine 0 N--CA 1.434 -1.449 0 CA-C-N 114.152 -1.385 . . . . 0.0 113.52 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 55.8 t80 -130.12 132.84 46.28 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 26.7 m -108.04 110.67 22.42 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -97.74 128.05 44.12 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.619 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -88.48 119.79 29.25 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 121.222 0.534 . . . . 0.0 110.152 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 91.0 t80 . . . . . 0 C--N 1.294 -1.829 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.957 179.839 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.693 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 44.1 t -93.15 114.15 29.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -93.64 104.67 16.76 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 107.848 -1.168 . . . . 0.0 107.848 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 23.1 ptm -126.05 125.19 42.2 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 120.938 0.399 . . . . 0.0 111.049 -176.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 69.0 m -107.02 130.66 54.62 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.105 176.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 50.9 mm -78.9 104.4 6.82 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 85.3 m 64.85 81.68 0.2 Allowed 'General case' 0 C--N 1.316 -0.858 0 O-C-N 124.526 1.141 . . . . 0.0 112.125 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 153.32 -176.28 31.43 Favored Glycine 0 N--CA 1.414 -2.783 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.05 176.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1555 ' ' GLU . . . . . 0.48 ' OE1' ' HA ' ' A' 1561 ' ' PRO . 0.0 OUTLIER -104.61 133.54 49.29 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.609 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.519 ' HB3' ' SG ' ' A' 1559 ' ' CYS . 23.1 t-20 -80.34 139.04 36.76 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.049 -172.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -55.91 -28.83 58.54 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.116 1.366 . . . . 0.0 113.618 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -89.62 -15.06 33.57 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 121.962 0.887 . . . . 0.0 109.598 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1559 ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' 1556 ' ' ASN . 92.6 m -94.52 154.24 40.19 Favored Pre-proline 0 C--N 1.299 -1.607 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.948 -177.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -64.0 139.68 68.7 Favored 'Trans proline' 0 C--O 1.246 0.88 0 C-N-CA 122.13 1.887 . . . . 0.0 109.443 173.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1561 ' ' PRO . . . . . 0.48 ' HA ' ' OE1' ' A' 1555 ' ' GLU . 6.7 Cg_endo -47.54 104.16 0.07 OUTLIER 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 124.25 3.3 . . . . 0.0 114.379 -175.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 126.48 -19.71 6.26 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.143 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 86.9 t -88.97 131.21 36.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -95.73 -25.06 13.98 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.569 -0.824 . . . . 0.0 113.361 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -142.89 131.56 22.58 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.755 0.312 . . . . 0.0 110.862 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 78.2 m -125.58 133.69 52.19 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.123 0.487 . . . . 0.0 110.344 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 44.0 t80 -98.29 114.31 26.55 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.854 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 81.3 179.77 53.16 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 115.1 0.8 . . . . 0.0 115.1 171.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.77 -25.96 65.87 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 124.496 1.118 . . . . 0.0 112.579 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 16.3 m -80.92 -6.55 58.82 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 122.044 0.926 . . . . 0.0 108.926 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 58.57 44.49 17.6 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 113.978 -1.465 . . . . 0.0 111.824 172.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.67 117.15 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.576 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 14.7 p -62.11 119.03 8.15 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-O 121.239 0.542 . . . . 0.0 111.37 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.431 HG23 ' HB3' ' A' 1606 ' ' TYR . 10.7 p -117.17 31.74 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 CA-C-O 123.182 1.468 . . . . 0.0 108.614 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 153.01 127.77 1.25 Allowed Glycine 0 N--CA 1.421 -2.325 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.908 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 48.4 tptt -76.86 149.19 36.16 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -61.39 104.92 0.45 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.264 0.554 . . . . 0.0 110.928 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -114.66 153.47 30.15 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.818 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 21.2 pttm -133.18 15.63 4.16 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 121.472 0.653 . . . . 0.0 110.624 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -82.77 91.54 7.06 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.397 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.445 HD12 ' HB3' ' A' 1588 ' ' LEU . 57.5 tp -86.68 119.27 26.74 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -107.23 135.16 49.22 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 39.1 t80 -105.85 100.84 10.38 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 16.5 m -131.69 124.22 53.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.559 -175.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 34.2 t70 60.49 39.14 18.6 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 122.323 1.058 . . . . 0.0 110.735 176.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 64.9 22.64 12.51 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.062 1.345 . . . . 0.0 112.593 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 57.4 t -125.51 135.52 63.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.508 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 96.8 mt -90.19 132.03 35.7 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 175.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -130.59 129.49 42.82 Favored 'General case' 0 C--N 1.282 -2.354 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.746 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 49.6 mt -115.17 123.6 49.32 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.751 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 57.9 t -113.71 112.82 41.89 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 CA-C-O 121.302 0.572 . . . . 0.0 109.527 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -92.49 87.93 6.16 Favored 'General case' 0 C--N 1.289 -2.03 0 CA-C-O 122.03 0.919 . . . . 0.0 108.701 176.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 20.7 pttp -82.63 171.24 14.26 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 113.42 -1.718 . . . . 0.0 111.447 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 37.8 t70 57.6 80.72 0.16 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.222 1.409 . . . . 0.0 112.572 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -109.28 -154.0 15.51 Favored Glycine 0 C--N 1.293 -1.822 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 176.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 28.1 m -71.96 126.44 91.32 Favored Pre-proline 0 C--N 1.297 -1.679 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -54.56 122.51 11.7 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.777 2.318 . . . . 0.0 110.366 174.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 58.2 m . . . . . 0 C--N 1.309 -1.183 0 C-N-CA 123.285 0.634 . . . . 0.0 109.616 -178.48 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 80.2 mt . . . . . 0 C--O 1.244 0.777 0 CA-C-O 120.971 0.415 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 77.9 p -137.04 157.52 46.53 Favored 'General case' 0 N--CA 1.429 -1.497 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.173 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.431 ' HB3' HG23 ' A' 1574 ' ' VAL . 98.5 m-85 -67.94 118.08 10.66 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.004 178.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -126.09 147.71 49.52 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.874 -174.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 44.6 m -112.04 125.9 54.59 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.04 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 84.1 t -113.33 111.68 37.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 52.4 mt -102.96 121.94 54.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 27.9 t -107.78 110.48 22.29 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.508 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 87.2 m-85 -94.31 99.59 11.78 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.6 t -80.66 131.49 33.86 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.984 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 15.6 t -70.55 90.53 0.75 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.713 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -121.5 99.06 45.69 Favored Pre-proline 0 C--N 1.299 -1.612 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo . . . . . 0 C--O 1.244 0.779 0 C-N-CA 122.083 1.855 . . . . 0.0 109.344 175.922 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 40.3 mtm105 . . . . . 0 N--CA 1.438 -1.07 0 N-CA-C 104.956 -2.239 . . . . 0.0 104.956 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.444 ' HD3' ' CZ3' ' A' 1640 ' ' TRP . 54.1 Cg_endo -75.04 121.31 6.48 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 120.828 1.019 . . . . 0.0 110.579 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 63.0 mtp -102.51 130.89 49.47 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.4 tt -81.1 100.73 9.19 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 -177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.3 mm -86.06 -42.74 16.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -175.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 35.0 t -140.23 126.3 19.71 Favored 'General case' 0 N--CA 1.421 -1.921 0 C-N-CA 120.146 -0.622 . . . . 0.0 109.912 -177.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.55 113.89 27.75 Favored 'General case' 0 N--CA 1.435 -1.206 0 N-CA-C 105.701 -1.962 . . . . 0.0 105.701 176.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.1 t70 -112.34 110.65 21.0 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 120.939 0.4 . . . . 0.0 110.31 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 67.3 mttm -84.21 -29.74 26.31 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.108 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -62.9 -45.51 92.19 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -174.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 17.6 p -111.71 11.99 21.06 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-O 121.307 0.575 . . . . 0.0 111.088 178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 59.0 m 56.5 53.05 9.02 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.577 -1.192 . . . . 0.0 112.14 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 38.1 m -126.1 125.9 43.31 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.836 -0.54 . . . . 0.0 110.814 -177.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.67 123.31 47.38 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -99.67 114.13 27.01 Favored 'General case' 0 C--O 1.252 1.198 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.564 -178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -110.96 130.85 55.46 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.755 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 44.3 t -108.76 128.55 54.98 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1640 ' ' TRP . . . . . 0.444 ' CZ3' ' HD3' ' A' 1624 ' ' PRO . 2.2 t-105 -119.44 128.82 54.38 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 18.1 m170 -97.51 101.84 13.47 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.8 t -127.75 141.4 40.94 Favored Pre-proline 0 N--CA 1.431 -1.393 0 CA-C-O 121.149 0.499 . . . . 0.0 110.766 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -81.79 0.13 10.04 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 122.865 2.377 . . . . 0.0 110.854 174.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 97.0 mt -84.68 -5.2 59.3 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-O 121.353 0.597 . . . . 0.0 110.589 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -97.77 9.64 42.12 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 63.7 m . . . . . 0 N--CA 1.425 -1.707 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.055 -175.849 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 39.0 m . . . . . 0 C--O 1.256 1.443 0 CA-C-O 122.314 1.055 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -140.08 139.6 35.92 Favored 'General case' 0 N--CA 1.425 -1.686 0 CA-C-N 113.979 -1.464 . . . . 0.0 108.994 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1518 ' ' VAL . . . . . 0.403 HG23 HD13 ' A' 1581 ' ' LEU . 96.2 t -117.75 125.43 74.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 16.8 m -107.36 113.73 27.3 Favored 'General case' 0 N--CA 1.426 -1.673 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -100.85 107.02 47.46 Favored Pre-proline 0 C--N 1.3 -1.557 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -65.58 -15.42 49.39 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.838 2.358 . . . . 0.0 111.761 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 1.6 p -61.66 -48.64 79.91 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 124.081 0.952 . . . . 0.0 111.344 177.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 3.2 p -104.3 -22.67 13.32 Favored 'General case' 0 N--CA 1.433 -1.309 0 CA-C-O 121.157 0.503 . . . . 0.0 111.856 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 83.71 28.62 34.7 Favored Glycine 0 N--CA 1.44 -1.062 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.784 178.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -118.06 151.2 37.98 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-O 120.748 0.309 . . . . 0.0 111.489 -177.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 64.5 tp -107.04 110.3 22.39 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.257 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -101.37 126.05 48.09 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -127.0 149.28 49.97 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.737 -174.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 91.7 mt -109.17 6.12 24.5 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 115.331 -0.85 . . . . 0.0 108.967 172.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.1 p -71.08 -26.01 62.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.073 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 34.5 m -71.45 -8.95 57.17 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.293 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 87.0 mt -110.64 8.6 22.79 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 18.4 t -91.11 155.44 18.64 Favored 'General case' 0 N--CA 1.433 -1.316 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.79 -174.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -174.64 147.0 8.84 Favored Glycine 0 N--CA 1.432 -1.58 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1535 ' ' ARG . . . . . 0.465 ' O ' ' HA ' ' A' 1556 ' ' ASN . 31.1 mtm180 -68.31 -31.24 70.53 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 118.148 0.974 . . . . 0.0 111.695 -175.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -85.25 -10.17 56.85 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-O 121.464 0.65 . . . . 0.0 110.446 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 60.42 -136.81 49.19 Favored Glycine 0 N--CA 1.431 -1.687 0 CA-C-N 114.561 -1.199 . . . . 0.0 113.102 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 86.7 t80 -134.04 133.08 40.8 Favored 'General case' 0 C--N 1.285 -2.198 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 29.4 m -105.42 110.25 22.53 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-O 121.265 0.555 . . . . 0.0 109.898 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -105.6 106.57 17.14 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.809 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -84.72 116.61 23.33 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--N 1.309 -1.168 0 CA-C-O 121.089 0.471 . . . . 0.0 110.383 -178.54 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.791 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 47.0 t -113.89 123.88 69.99 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 CA-C-N 117.302 0.551 . . . . 0.0 110.172 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1549 ' ' TYR . . . . . 0.419 ' HB2' ' SG ' ' A' 1566 ' ' CYS . 49.5 m-85 -94.1 104.27 16.3 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 174.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.9 ptm -123.0 128.03 49.63 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-O 120.934 0.397 . . . . 0.0 111.584 -174.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 37.6 t -102.13 132.81 47.79 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 2.4 mp -87.69 110.07 20.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 28.3 t 72.33 94.92 0.07 Allowed 'General case' 0 C--O 1.239 0.535 0 C-N-CA 124.487 1.115 . . . . 0.0 111.267 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 120.07 -166.37 13.57 Favored Glycine 0 N--CA 1.43 -1.712 0 C-N-CA 120.435 -0.888 . . . . 0.0 111.376 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1555 ' ' GLU . . . . . 0.409 ' HA ' ' HA2' ' A' 1564 ' ' GLY . 11.4 pt-20 -107.67 145.45 33.37 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 120.857 0.361 . . . . 0.0 110.27 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.465 ' HA ' ' O ' ' A' 1535 ' ' ARG . 46.0 t-20 -88.87 132.79 34.52 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -177.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -73.32 -14.32 61.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.165 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 15.2 m120 -92.54 -1.13 57.16 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.426 0.632 . . . . 0.0 109.747 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 73.4 m -119.64 165.01 18.78 Favored Pre-proline 0 C--N 1.303 -1.45 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -55.12 154.33 23.03 Favored 'Trans proline' 0 CA--C 1.551 1.335 0 C-N-CA 122.526 2.15 . . . . 0.0 112.051 176.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.31 123.62 14.28 Favored 'Trans proline' 0 C--O 1.249 1.035 0 C-N-CA 123.344 2.696 . . . . 0.0 112.605 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 95.13 -8.56 69.94 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.991 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 79.8 t -89.1 125.23 42.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.233 0 CA-C-O 120.965 0.412 . . . . 0.0 111.415 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1564 ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' 1555 ' ' GLU . . . -82.99 -32.43 26.39 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.118 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -148.25 134.16 19.09 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1566 ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' 1549 ' ' TYR . 21.5 p -121.56 133.65 55.02 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.33 0.586 . . . . 0.0 110.729 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 79.4 t80 -95.31 124.11 39.18 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.902 -175.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 79.94 171.46 42.53 Favored Glycine 0 N--CA 1.431 -1.678 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.703 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -83.44 -0.37 49.74 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 121.214 0.53 . . . . 0.0 110.485 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 26.0 m -84.15 -3.92 58.45 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-O 122.135 0.969 . . . . 0.0 109.065 173.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 60.27 39.18 19.33 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 114.867 -1.061 . . . . 0.0 112.06 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 79.2 mt -71.86 114.89 11.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 32.0 p -63.25 114.34 3.74 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 121.218 0.532 . . . . 0.0 111.623 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.406 HG22 ' HB3' ' A' 1606 ' ' TYR . 12.8 p -104.93 20.14 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-O 122.472 1.129 . . . . 0.0 109.626 -178.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 156.41 143.99 3.81 Favored Glycine 0 N--CA 1.425 -2.082 0 CA-C-N 114.797 -1.092 . . . . 0.0 113.225 173.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -79.16 158.38 27.71 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 123.593 0.757 . . . . 0.0 109.514 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -67.48 86.14 0.18 Allowed 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 124.355 1.062 . . . . 0.0 111.827 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.59 151.29 19.78 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.81 11.2 7.78 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.36 0.6 . . . . 0.0 110.441 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -76.47 93.15 3.48 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.589 -177.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.403 HD13 HG23 ' A' 1518 ' ' VAL . 0.4 OUTLIER -86.35 122.91 30.98 Favored 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.677 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1582 ' ' ARG . . . . . 0.523 ' NH2' ' HG2' ' A' 1589 ' ' GLN . 89.2 mtm180 -109.01 126.44 53.13 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 -179.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 56.3 t80 -116.51 102.18 9.26 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 6.2 m -140.8 144.24 27.32 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.788 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 53.0 m-20 53.44 37.03 24.63 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.469 1.107 . . . . 0.0 113.48 174.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 2.3 mp0 61.0 29.29 18.92 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.651 0.78 . . . . 0.0 111.699 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1587 ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' 1612 ' ' PHE . 5.5 p -135.14 123.93 40.95 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 CA-C-O 121.324 0.583 . . . . 0.0 110.285 176.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.489 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 84.4 mt -84.01 126.93 33.52 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 175.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1589 ' ' GLN . . . . . 0.523 ' HG2' ' NH2' ' A' 1582 ' ' ARG . 26.2 tt0 -129.6 125.33 35.93 Favored 'General case' 0 C--N 1.281 -2.37 0 C-N-CA 119.231 -0.988 . . . . 0.0 111.802 -176.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 55.5 mt -113.44 152.92 29.46 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.566 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.1 p -140.39 128.26 24.31 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -105.07 105.33 15.32 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 172.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 26.4 pttm -108.4 175.34 5.51 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.014 -174.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 11.0 t70 61.54 45.17 8.48 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.775 1.23 . . . . 0.0 112.854 172.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -83.89 -139.56 4.06 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.518 177.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1596 ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' 1605 ' ' SER . 35.7 m -67.18 147.84 98.91 Favored Pre-proline 0 C--N 1.307 -1.248 0 C-N-CA 123.157 0.583 . . . . 0.0 110.724 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -69.11 134.57 29.7 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.587 2.191 . . . . 0.0 110.762 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 84.1 m . . . . . 0 C--N 1.297 -1.695 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.875 -178.864 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 N--CA 1.434 -1.259 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1605 ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' 1596 ' ' SER . 14.5 m -132.56 142.01 48.97 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -177.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.492 ' CD2' ' HB3' ' A' 1634 ' ' CYS . 76.3 m-85 -56.14 131.23 47.13 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.168 0.587 . . . . 0.0 112.378 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1607 ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' 1635 ' ' THR . 56.0 mtpt -129.35 143.6 50.91 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 124.331 1.052 . . . . 0.0 110.53 -177.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 37.0 m -119.07 123.31 44.16 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 175.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 90.1 t -107.95 116.11 50.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 45.6 mt -106.39 113.55 43.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 21.6 t -103.22 111.34 23.69 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.489 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 73.8 m-85 -94.38 98.7 11.08 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 58.3 t -82.65 135.69 24.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1614 ' ' CYS . . . . . 0.469 ' HA ' ' O ' ' A' 1642 ' ' THR . 50.1 t -67.37 121.12 15.07 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.112 -176.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -134.07 90.35 26.45 Favored Pre-proline 0 C--N 1.306 -1.32 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo . . . . . 0 N--CA 1.483 0.877 0 C-N-CA 123.864 3.043 . . . . 0.0 114.192 -178.056 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 . . . . . 0 C--O 1.236 0.36 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.505 ' HA ' ' O ' ' A' 1639 ' ' SER . 67.4 Cg_endo -83.4 122.82 3.27 Favored 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 121.667 1.578 . . . . 0.0 111.267 175.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 86.8 mtp -95.81 139.71 31.64 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.653 -0.655 . . . . 0.0 109.36 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.4 tt -82.52 114.9 21.25 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -175.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.7 mm -93.04 -52.84 9.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.692 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 26.5 t -137.7 143.0 41.06 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.06 95.8 4.8 Favored 'General case' 0 N--CA 1.424 -1.751 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 -176.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -97.77 100.26 11.63 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 176.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -84.06 -13.24 53.63 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.162 -176.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -82.31 -42.36 18.88 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -175.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 36.4 p -102.18 -0.22 33.54 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 122.151 0.977 . . . . 0.0 109.805 176.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1634 ' ' CYS . . . . . 0.492 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 37.8 m 63.67 63.84 0.83 Allowed 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 113.056 -1.884 . . . . 0.0 111.543 175.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1635 ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' 1607 ' ' LYS . 39.3 m -138.09 118.6 13.86 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 121.213 0.53 . . . . 0.0 110.178 179.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 7.0 mp -102.1 134.91 44.58 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.611 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -106.74 116.63 32.25 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.223 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -113.2 141.68 46.67 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1639 ' ' SER . . . . . 0.505 ' O ' ' HA ' ' A' 1624 ' ' PRO . 37.4 p -120.71 127.67 52.24 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 120.936 0.398 . . . . 0.0 111.024 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 8.4 t-105 -119.07 147.61 43.94 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -118.65 113.32 21.02 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 118.243 0.474 . . . . 0.0 110.002 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1642 ' ' THR . . . . . 0.469 ' O ' ' HA ' ' A' 1614 ' ' CYS . 11.9 t -140.45 147.07 47.95 Favored Pre-proline 0 C--N 1.313 -0.996 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.024 -175.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.41 -4.32 14.56 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 123.338 2.692 . . . . 0.0 112.058 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 71.4 mt -78.01 -7.63 57.12 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.335 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -93.04 14.53 17.51 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 121.064 0.459 . . . . 0.0 111.889 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 63.5 m . . . . . 0 C--N 1.301 -1.524 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 174.066 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 67.8 m . . . . . 0 C--O 1.247 0.953 0 CA-C-O 122.762 1.268 . . . . 0.0 111.597 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1517 ' ' GLN . . . . . 0.461 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.6 pt20 -146.23 128.64 15.91 Favored 'General case' 0 N--CA 1.406 -2.671 0 CA-C-N 112.986 -1.916 . . . . 0.0 106.428 175.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 24.6 t -125.68 132.79 70.42 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 28.0 m -87.8 122.72 31.79 Favored 'General case' 0 N--CA 1.423 -1.802 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 46.2 t30 -95.66 105.73 22.63 Favored Pre-proline 0 C--N 1.307 -1.276 0 N-CA-C 108.839 -0.801 . . . . 0.0 108.839 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.99 -4.13 14.22 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.373 2.716 . . . . 0.0 113.274 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.2 m -68.9 -49.63 56.52 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-O 121.225 0.536 . . . . 0.0 109.714 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 15.0 p -119.96 -10.92 9.38 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -175.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 83.53 28.01 37.28 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.857 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 17.7 m80 -103.75 136.85 42.67 Favored 'General case' 0 C--N 1.311 -1.09 0 O-C-N 122.454 -0.439 . . . . 0.0 111.27 178.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 66.0 tp -100.05 105.52 17.18 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.174 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' 1517 ' ' GLN . 99.1 m-85 -84.6 106.76 16.41 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.6 p30 -117.9 144.25 45.61 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-O 121.501 0.667 . . . . 0.0 110.794 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 95.1 mt -120.94 21.86 11.24 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 174.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 15.0 m -68.85 -26.41 65.14 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.061 -1.427 . . . . 0.0 110.511 -175.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 5.3 p -72.9 -26.05 61.28 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.623 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 91.9 mt -93.83 -1.91 54.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.78 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 19.5 t -66.06 141.85 58.0 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.201 0.524 . . . . 0.0 110.902 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -170.63 134.99 3.32 Favored Glycine 0 N--CA 1.432 -1.616 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1535 ' ' ARG . . . . . 0.449 ' O ' ' HA ' ' A' 1556 ' ' ASN . 55.9 mtm180 -84.37 -20.39 32.03 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -86.5 -34.17 20.11 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1537 ' ' GLY . . . . . 0.498 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 66.74 -131.04 31.34 Favored Glycine 0 N--CA 1.43 -1.706 0 CA-C-N 113.957 -1.474 . . . . 0.0 112.705 176.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -139.94 136.4 33.79 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 32.7 m -88.0 107.93 18.97 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -87.35 114.58 24.08 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -117.3 118.69 32.96 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.771 -176.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 29.8 p90 . . . . . 0 C--N 1.294 -1.83 0 CA-C-O 118.895 -0.574 . . . . 0.0 110.933 -178.488 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.69 0 N-CA-C 114.369 0.508 . . . . 0.0 114.369 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 22.0 t -121.03 116.45 49.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 N-CA-C 105.91 -1.885 . . . . 0.0 105.91 169.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -91.29 108.38 19.84 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1550 ' ' MET . . . . . 0.498 ' O ' ' HA3' ' A' 1537 ' ' GLY . 23.1 ptp -112.18 126.95 55.76 Favored 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.137 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 30.4 t -89.43 143.62 26.68 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 2.8 mp -103.3 105.92 19.19 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.11 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 41.9 t 71.92 81.76 0.14 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.298 0.999 . . . . 0.0 111.19 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 129.82 -152.6 19.69 Favored Glycine 0 N--CA 1.434 -1.498 0 C-N-CA 120.096 -1.05 . . . . 0.0 112.256 177.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.44 157.63 17.22 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 123.408 0.683 . . . . 0.0 111.187 -179.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.449 ' HA ' ' O ' ' A' 1535 ' ' ARG . 15.8 m120 -85.24 129.4 34.81 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 175.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.55 -15.61 61.29 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.3 -177.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -101.94 15.79 27.95 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.589 0.709 . . . . 0.0 110.478 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 99.4 m -130.37 165.0 37.27 Favored Pre-proline 0 C--N 1.294 -1.819 0 CA-C-N 115.267 -0.878 . . . . 0.0 108.835 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -49.91 131.73 30.51 Favored 'Trans proline' 0 C--O 1.249 1.042 0 C-N-CA 122.546 2.164 . . . . 0.0 111.327 173.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.1 99.73 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.224 0 C-N-CA 123.19 2.593 . . . . 0.0 111.419 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 141.03 -19.48 2.7 Favored Glycine 0 N--CA 1.43 -1.732 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.29 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 45.5 t -88.36 132.83 32.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -106.09 -7.61 35.23 Favored Glycine 0 CA--C 1.507 -0.457 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.706 -177.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -160.24 129.7 5.12 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 92.1 m -118.95 133.31 55.91 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.057 0.456 . . . . 0.0 111.196 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 76.3 t80 -107.49 128.97 54.98 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 89.65 177.14 45.52 Favored Glycine 0 N--CA 1.427 -1.965 0 C-N-CA 120.705 -0.759 . . . . 0.0 113.605 173.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -77.27 -24.08 51.08 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 123.289 0.636 . . . . 0.0 110.94 -176.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 26.4 m -82.89 -12.0 57.75 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-O 122.009 0.909 . . . . 0.0 109.932 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 67.63 56.81 0.57 Allowed 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.093 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 71.9 mt -72.35 131.41 34.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.044 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 16.6 p -68.4 110.41 4.11 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -176.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.405 HG23 ' HB3' ' A' 1606 ' ' TYR . 13.2 p -106.03 31.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 CA-C-O 123.211 1.481 . . . . 0.0 107.926 178.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 144.83 143.55 4.02 Favored Glycine 0 N--CA 1.426 -1.98 0 CA-C-N 113.834 -1.53 . . . . 0.0 112.912 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 76.1 mmtt -82.28 158.6 23.41 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -57.45 131.39 49.99 Favored 'General case' 0 C--N 1.31 -1.133 0 O-C-N 124.301 1.001 . . . . 0.0 109.632 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 58.1 t30 -146.38 144.2 29.58 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -176.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 55.0 mttp -126.76 15.05 7.51 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.445 0.641 . . . . 0.0 109.372 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -80.23 91.15 5.56 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' 1588 ' ' LEU . 1.9 tt -88.72 126.33 35.27 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 -178.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -116.17 135.49 53.87 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 54.5 p90 -106.59 101.01 10.5 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1584 ' ' VAL . . . . . 0.411 ' O ' HG22 ' A' 1587 ' ' VAL . 17.7 m -127.55 128.94 70.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.049 -176.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 32.3 t70 55.76 43.75 27.32 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 122.412 1.101 . . . . 0.0 110.444 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 26.0 mp0 61.33 17.25 8.12 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 114.104 -1.407 . . . . 0.0 114.76 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1587 ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' 1584 ' ' VAL . 15.6 m -121.29 150.86 24.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 174.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.45 ' HB3' HD21 ' A' 1581 ' ' LEU . 87.4 mt -97.93 129.3 44.85 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -122.77 132.83 54.4 Favored 'General case' 0 C--N 1.293 -1.868 0 C-N-CA 120.27 -0.572 . . . . 0.0 112.207 -176.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 66.5 mt -120.01 122.98 42.34 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 171.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 10.5 p -115.92 136.19 53.62 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -110.73 96.49 6.21 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -102.6 176.81 5.04 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.711 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 33.2 m-20 69.48 38.45 1.78 Allowed 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.525 1.13 . . . . 0.0 112.715 177.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -89.31 -143.64 10.01 Favored Glycine 0 C--O 1.249 1.059 0 N-CA-C 111.739 -0.544 . . . . 0.0 111.739 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1596 ' ' SER . . . . . 0.404 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 47.3 m -73.95 126.29 89.51 Favored Pre-proline 0 C--N 1.306 -1.317 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1597 ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' 1596 ' ' SER . 19.9 Cg_exo -67.05 153.6 77.24 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 123.004 2.469 . . . . 0.0 114.108 -177.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 66.7 m . . . . . 0 C--N 1.312 -1.04 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.896 -178.208 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.436 -1.149 0 CA-C-O 122.004 0.907 . . . . 0.0 112.957 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 30.5 t -177.41 123.78 0.13 Allowed 'General case' 0 N--CA 1.432 -1.335 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.266 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.405 ' HB3' HG23 ' A' 1574 ' ' VAL . 27.5 m-85 -66.76 120.18 13.08 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 165.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -140.42 147.03 39.08 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.284 0.564 . . . . 0.0 110.927 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 22.8 t -115.97 135.99 53.45 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 57.7 t -116.55 109.31 27.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 61.1 mt -97.89 112.23 29.48 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 16.2 m -105.2 114.67 28.99 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.23 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.427 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 79.0 m-85 -91.43 99.98 12.83 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1613 ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' 1641 ' ' HIS . 22.8 t -92.25 139.39 18.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1614 ' ' CYS . . . . . 0.591 ' HA ' ' O ' ' A' 1642 ' ' THR . 49.8 t -81.82 136.61 35.38 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.367 0.603 . . . . 0.0 112.016 -175.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -140.75 93.85 8.35 Favored Pre-proline 0 C--N 1.308 -1.212 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.658 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo . . . . . 0 CA--C 1.535 0.544 0 C-N-CA 122.131 1.888 . . . . 0.0 110.118 171.106 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 . . . . . 0 N--CA 1.429 -1.524 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -67.47 121.73 8.87 Favored 'Trans proline' 0 C--O 1.249 1.075 0 C-N-CA 121.862 1.708 . . . . 0.0 111.401 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 73.2 mtm -129.16 147.62 51.02 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.268 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.5 tt -80.03 113.84 18.5 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.355 -174.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.7 mm -97.64 -43.82 12.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-O 120.833 0.349 . . . . 0.0 111.256 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 20.5 m -136.77 130.44 31.93 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.443 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -114.32 107.06 15.07 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.4 t70 -105.94 104.49 14.21 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -75.53 -32.39 60.44 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.263 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.27 -40.99 97.1 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -173.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 32.0 p -110.23 11.63 23.52 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 120.958 0.409 . . . . 0.0 111.952 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 59.1 m 56.41 47.83 18.15 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.227 1.011 . . . . 0.0 112.061 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 36.6 m -120.05 123.07 42.51 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-O 121.317 0.58 . . . . 0.0 111.059 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.2 mp -105.51 115.65 30.61 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.247 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -94.19 115.24 27.48 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.403 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.94 136.52 51.15 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 38.1 t -109.97 140.5 43.91 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1640 ' ' TRP . . . . . 0.4 ' O ' ' HA ' ' A' 1612 ' ' PHE . 2.2 t90 -130.91 126.8 37.07 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 105.0 -2.222 . . . . 0.0 105.0 177.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1641 ' ' HIS . . . . . 0.409 ' HA ' ' O ' ' A' 1613 ' ' VAL . 44.1 m-70 -106.1 108.43 19.94 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 119.755 -0.778 . . . . 0.0 110.145 -178.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1642 ' ' THR . . . . . 0.591 ' O ' ' HA ' ' A' 1614 ' ' CYS . 5.5 t -135.68 139.59 31.33 Favored Pre-proline 0 C--N 1.304 -1.413 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.575 -177.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1643 ' ' PRO . . . . . 0.414 ' HA ' ' SG ' ' A' 1614 ' ' CYS . 66.7 Cg_endo -72.82 -5.85 17.94 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 122.859 2.373 . . . . 0.0 111.77 177.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 97.1 mt -72.41 -9.26 58.3 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.132 0.573 . . . . 0.0 111.344 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -84.46 -12.05 55.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.133 0.492 . . . . 0.0 109.977 177.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 68.6 m . . . . . 0 CA--C 1.487 -1.455 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.865 176.93 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 31.9 m . . . . . 0 C--O 1.239 0.512 0 CA-C-O 120.695 0.283 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -155.4 139.48 16.45 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -174.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 89.9 t -130.41 124.89 58.37 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.077 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 6.6 m -100.28 127.06 46.66 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 120.078 -0.649 . . . . 0.0 109.603 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -101.18 105.75 41.03 Favored Pre-proline 0 C--N 1.299 -1.609 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 175.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -72.8 -10.63 25.14 Favored 'Trans proline' 0 C--O 1.241 0.667 0 C-N-CA 122.728 2.286 . . . . 0.0 112.748 -175.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 6.8 m -70.34 -51.76 27.65 Favored 'General case' 0 N--CA 1.427 -1.599 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.726 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 23.8 p -95.79 -25.89 15.88 Favored 'General case' 0 C--O 1.251 1.143 0 CA-C-O 121.224 0.535 . . . . 0.0 111.872 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 90.07 16.71 55.5 Favored Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -177.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -96.67 126.67 42.0 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -175.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 35.5 tp -93.4 109.72 21.28 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -80.66 105.93 12.27 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.92 136.29 53.05 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 176.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 80.1 mt -110.57 13.72 22.56 Favored 'General case' 0 C--N 1.267 -3.002 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 174.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 29.2 m -66.42 -32.06 73.2 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.147 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 38.5 t -59.92 -36.38 76.89 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.53 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 93.2 mt -101.47 0.07 36.1 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.051 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 24.1 t -78.65 147.71 33.48 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-O 121.34 0.591 . . . . 0.0 110.414 -174.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -174.89 142.91 6.53 Favored Glycine 1 N--CA 1.395 -4.085 0 N-CA-C 108.936 -1.666 . . . . 0.0 108.936 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1535 ' ' ARG . . . . . 0.565 ' O ' ' HA ' ' A' 1556 ' ' ASN . 91.8 mtt180 -78.69 -26.57 44.96 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.499 0.666 . . . . 0.0 109.971 -177.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -81.16 -25.73 36.61 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 173.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1537 ' ' GLY . . . . . 0.507 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 69.76 -128.86 21.13 Favored Glycine 0 N--CA 1.424 -2.148 0 CA-C-N 114.011 -1.45 . . . . 0.0 112.6 175.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 57.9 t80 -138.07 138.62 38.95 Favored 'General case' 0 C--N 1.284 -2.275 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 86.7 m -104.12 107.27 18.09 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.455 0.645 . . . . 0.0 109.415 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -96.89 125.85 41.62 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -105.69 129.49 53.9 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 82.0 m-85 . . . . . 0 C--N 1.294 -1.809 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.515 179.476 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.41 -3.072 0 CA-C-O 121.63 0.572 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 68.9 t -103.03 108.31 24.05 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.237 0 N-CA-C 104.639 -2.356 . . . . 0.0 104.639 170.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -89.26 103.69 16.3 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 -176.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1550 ' ' MET . . . . . 0.507 ' O ' ' HA3' ' A' 1537 ' ' GLY . 23.9 ptp -114.89 131.36 56.89 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 23.2 t -88.96 153.02 21.36 Favored 'General case' 0 N--CA 1.421 -1.902 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 175.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 46.7 mm -112.31 90.71 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.282 -2.349 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 53.8 t 68.41 76.79 0.25 Allowed 'General case' 0 C--O 1.244 0.782 0 O-C-N 124.523 1.139 . . . . 0.0 109.824 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 154.15 -167.15 32.26 Favored Glycine 0 N--CA 1.429 -1.801 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.744 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.46 151.87 20.61 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.565 ' HA ' ' O ' ' A' 1535 ' ' ARG . 19.2 t-20 -95.33 120.16 35.08 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.413 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.14 -6.27 46.7 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -94.54 4.36 53.95 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 76.2 m -135.84 172.42 7.15 Favored Pre-proline 0 N--CA 1.427 -1.624 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -60.25 137.34 74.33 Favored 'Trans proline' 0 C--O 1.25 1.104 0 C-N-CA 121.924 1.749 . . . . 0.0 111.381 173.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.17 103.21 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 123.13 2.554 . . . . 0.0 111.507 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 147.58 -29.55 1.45 Allowed Glycine 0 N--CA 1.434 -1.474 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 -176.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 59.6 t -88.18 138.85 18.34 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -105.23 -24.13 7.32 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.685 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -150.46 135.31 17.54 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.87 0.335 . . . . 0.0 110.92 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 80.8 m -126.43 133.81 51.15 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 79.1 t80 -101.56 114.67 28.91 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 94.09 161.36 35.1 Favored Glycine 0 N--CA 1.423 -2.179 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.953 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -67.44 -19.22 65.34 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.43 0.633 . . . . 0.0 109.836 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 20.4 m -69.0 -13.5 62.49 Favored 'General case' 0 CA--C 1.561 1.374 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.637 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 64.47 43.76 4.4 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 124.828 1.251 . . . . 0.0 112.437 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 70.8 mt -74.36 114.57 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 24.7 p -63.12 117.12 6.07 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.007 0.432 . . . . 0.0 111.772 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.461 HG22 ' HB3' ' A' 1606 ' ' TYR . 15.0 p -112.76 18.39 7.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 CA-C-O 122.447 1.118 . . . . 0.0 108.642 178.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 168.42 141.49 3.21 Favored Glycine 0 N--CA 1.43 -1.755 0 C-N-CA 120.035 -1.079 . . . . 0.0 113.416 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 15.9 tptm -91.2 150.7 21.25 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -55.97 115.49 2.43 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 124.263 1.025 . . . . 0.0 113.026 -175.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -128.11 142.43 51.2 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -178.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 63.4 mttp -126.09 7.53 7.25 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.645 0.736 . . . . 0.0 110.524 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -86.39 91.37 8.49 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.835 0.826 . . . . 0.0 109.861 -177.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.447 HD21 ' HB3' ' A' 1588 ' ' LEU . 1.7 tt -75.47 129.0 36.56 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -118.06 134.17 55.23 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-O 120.818 0.342 . . . . 0.0 111.034 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 40.1 t80 -101.55 99.84 10.19 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 16.7 m -134.86 121.83 35.74 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.254 -173.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 26.7 t70 58.69 48.17 11.96 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 122.813 1.292 . . . . 0.0 110.428 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 28.1 tp60 63.06 10.74 4.68 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 113.287 -1.779 . . . . 0.0 113.877 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 7.3 p -123.5 139.9 48.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.867 -0.521 . . . . 0.0 109.924 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.474 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 84.6 mt -84.22 121.41 27.44 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 175.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -123.05 130.94 53.43 Favored 'General case' 0 C--N 1.28 -2.419 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.1 -172.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 69.5 mt -115.83 122.8 46.46 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 172.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 59.3 t -118.87 113.63 42.24 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 CA-C-O 121.402 0.62 . . . . 0.0 109.75 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -95.27 98.1 10.35 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -85.72 170.02 12.87 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 177.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 27.1 t70 65.6 87.75 0.11 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.822 1.249 . . . . 0.0 112.469 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -128.44 -153.64 8.11 Favored Glycine 0 N--CA 1.424 -2.138 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 177.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 42.3 m -70.01 141.33 89.22 Favored Pre-proline 0 C--N 1.296 -1.733 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.8 138.55 45.14 Favored 'Trans proline' 0 C--O 1.243 0.733 0 C-N-CA 122.14 1.893 . . . . 0.0 110.372 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 56.0 m . . . . . 0 C--N 1.302 -1.483 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.062 -179.45 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 N--CA 1.436 -1.158 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 17.0 m -133.94 150.53 51.3 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.461 ' HB3' HG22 ' A' 1574 ' ' VAL . 79.6 m-85 -64.39 122.55 16.99 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.844 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -119.55 151.02 39.32 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.143 -177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 13.3 p -129.35 136.1 49.57 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.107 0.48 . . . . 0.0 110.985 176.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 63.3 t -122.74 113.65 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.732 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 56.0 mt -99.8 114.11 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.722 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 23.1 t -102.91 115.44 30.61 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.147 -176.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.474 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 91.3 m-85 -98.35 99.82 11.04 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.4 t -95.17 140.08 17.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.748 -173.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 5.8 t -60.73 112.79 2.16 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.754 -1.112 . . . . 0.0 111.61 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -138.22 88.47 15.08 Favored Pre-proline 0 C--N 1.302 -1.491 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 172.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1616 ' ' PRO . . . . . 0.451 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 50.1 Cg_exo . . . . . 0 N--CA 1.488 1.161 0 C-N-CA 123.695 2.93 . . . . 0.0 111.981 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 . . . . . 0 N--CA 1.434 -1.267 0 N-CA-C 104.611 -2.366 . . . . 0.0 104.611 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -68.23 121.74 8.74 Favored 'Trans proline' 0 C--O 1.257 1.436 0 C-N-CA 121.223 1.282 . . . . 0.0 112.373 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 23.0 ttt -112.81 133.21 54.92 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1626 ' ' LEU . . . . . 0.447 ' HG ' ' CE1' ' A' 1638 ' ' PHE . 1.1 tt -78.97 111.41 15.14 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 46.9 mm -90.22 -44.41 14.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 CA-C-O 121.055 0.455 . . . . 0.0 111.425 -174.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.8 m -146.04 131.36 18.55 Favored 'General case' 0 C--N 1.296 -1.729 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.065 -176.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.65 101.09 11.9 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 105.207 -2.146 . . . . 0.0 105.207 175.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -99.16 103.23 15.11 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.219 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -84.49 -19.07 33.89 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-O 121.002 0.429 . . . . 0.0 110.341 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -62.91 -50.44 70.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.398 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 21.9 p -113.29 8.73 18.16 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 121.65 0.738 . . . . 0.0 111.243 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1634 ' ' CYS . . . . . 0.408 ' HB3' ' CD1' ' A' 1606 ' ' TYR . 65.8 m 59.77 63.97 1.39 Allowed 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 113.983 -1.462 . . . . 0.0 111.625 177.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 27.4 m -133.36 126.47 31.39 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.657 0.742 . . . . 0.0 111.628 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1636 ' ' LEU . . . . . 0.467 ' HB3' ' CE2' ' A' 1638 ' ' PHE . 4.2 mm? -94.71 118.05 31.11 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.663 177.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -102.69 113.78 27.47 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.349 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1638 ' ' PHE . . . . . 0.467 ' CE2' ' HB3' ' A' 1636 ' ' LEU . 88.5 m-85 -117.73 141.14 48.74 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 36.0 t -122.89 136.65 54.94 Favored 'General case' 0 C--N 1.289 -2.031 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -119.89 126.94 52.16 Favored 'General case' 0 N--CA 1.418 -2.042 0 N-CA-C 104.932 -2.248 . . . . 0.0 104.932 177.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 70.5 m80 -104.31 108.74 20.28 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 7.3 t -140.53 143.15 31.62 Favored Pre-proline 0 C--N 1.294 -1.808 0 CA-C-O 121.319 0.58 . . . . 0.0 110.134 -176.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1643 ' ' PRO . . . . . 0.451 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 65.2 Cg_endo -72.49 -14.06 27.7 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 123.225 2.617 . . . . 0.0 111.261 176.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 54.0 tp -74.52 -22.74 58.89 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.108 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -95.98 27.66 3.5 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.814 0.816 . . . . 0.0 109.609 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 19.0 t . . . . . 0 N--CA 1.417 -2.101 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -177.331 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 58.8 m . . . . . 0 CA--C 1.507 -0.703 0 CA-C-O 121.395 0.617 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1517 ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' 1527 ' ' PHE . 23.1 pt20 -141.9 142.4 33.07 Favored 'General case' 0 N--CA 1.426 -1.637 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.278 -175.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 9.8 p -150.47 140.63 16.08 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.426 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 32.5 m -99.88 118.98 37.47 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 121.061 0.458 . . . . 0.0 109.926 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -107.84 107.86 60.78 Favored Pre-proline 0 C--N 1.306 -1.296 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.423 176.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.65 -26.16 79.87 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.366 2.711 . . . . 0.0 113.696 -177.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 23.2 t -68.05 -27.8 66.83 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 120.824 0.345 . . . . 0.0 110.704 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 1.8 p -100.74 -33.45 10.25 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-O 121.341 0.591 . . . . 0.0 110.96 176.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 85.44 14.55 68.18 Favored Glycine 0 CA--C 1.502 -0.749 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.57 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -118.04 136.68 53.4 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.4 tt -87.21 105.3 17.12 Favored 'General case' 0 N--CA 1.417 -2.087 0 N-CA-C 104.443 -2.428 . . . . 0.0 104.443 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' 1517 ' ' GLN . 97.0 m-85 -82.22 118.28 22.98 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -177.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -137.22 144.64 42.91 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.1 mt -123.42 23.04 9.11 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.427 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 8.6 t -74.46 -20.66 59.93 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.277 -174.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 50.3 m -79.23 -7.65 58.42 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 121.573 -0.705 . . . . 0.0 110.829 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 82.7 mt -105.59 8.95 33.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.765 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1533 ' ' SER . . . . . 0.587 ' HA ' ' O ' ' A' 1552 ' ' ILE . 46.7 m -65.72 103.54 0.9 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.516 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -110.35 119.65 5.39 Favored Glycine 0 N--CA 1.44 -1.096 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -75.44 -29.35 59.65 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 117.433 0.617 . . . . 0.0 111.347 -175.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -86.81 -12.11 48.94 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 121.802 0.81 . . . . 0.0 109.06 176.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 68.93 -164.45 49.63 Favored Glycine 0 N--CA 1.421 -2.35 0 CA-C-N 113.9 -1.5 . . . . 0.0 112.761 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.59 138.48 54.32 Favored 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 23.2 m -97.96 107.83 20.4 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 120.166 -0.613 . . . . 0.0 109.467 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -84.38 115.36 22.48 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -66.29 135.17 54.04 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 121.03 0.443 . . . . 0.0 111.176 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 75.2 t80 . . . . . 0 C--N 1.3 -1.573 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.416 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -2.414 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 48.6 t -104.94 117.64 50.95 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -89.03 103.79 16.38 Favored 'General case' 0 C--N 1.289 -2.044 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -177.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 18.1 ptm -119.59 116.75 26.68 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.426 -173.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 47.8 t -89.98 140.03 30.03 Favored 'General case' 0 N--CA 1.433 -1.275 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1552 ' ' ILE . . . . . 0.587 ' O ' ' HA ' ' A' 1533 ' ' SER . 67.4 mt -103.94 115.58 46.15 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.538 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 11.8 t 64.86 45.62 3.2 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 124.341 1.026 . . . . 0.0 111.569 176.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 173.1 -179.05 44.77 Favored Glycine 0 N--CA 1.436 -1.344 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -88.46 149.5 23.64 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -90.3 128.79 36.52 Favored 'General case' 0 C--N 1.292 -1.891 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -71.59 -12.62 61.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.004 0.43 . . . . 0.0 111.705 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1558 ' ' ASN . . . . . 0.422 HD21 ' N ' ' A' 1558 ' ' ASN . 0.8 OUTLIER -87.64 4.6 43.27 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 175.573 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 74.1 m -131.85 162.96 53.27 Favored Pre-proline 0 N--CA 1.434 -1.247 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.739 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -61.13 142.68 97.63 Favored 'Trans proline' 0 C--O 1.248 0.986 0 C-N-CA 122.456 2.104 . . . . 0.0 110.35 173.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -55.83 100.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 123.733 2.955 . . . . 0.0 113.011 -176.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 146.73 -38.21 1.15 Allowed Glycine 0 N--CA 1.428 -1.87 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 38.5 t -82.6 132.85 30.42 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -99.67 -30.98 6.23 Favored Glycine 0 N--CA 1.437 -1.252 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.804 -178.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -135.73 132.24 36.61 Favored 'General case' 0 N--CA 1.436 -1.166 0 O-C-N 122.45 -0.441 . . . . 0.0 110.938 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 73.5 m -127.0 134.46 50.34 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.917 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 32.4 t80 -91.45 127.37 36.87 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 78.35 -172.32 55.21 Favored Glycine 0 N--CA 1.433 -1.501 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.806 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -90.6 -18.19 25.61 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 4.1 m -72.52 -1.75 17.1 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-O 121.752 0.787 . . . . 0.0 111.845 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 59.71 48.46 9.28 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.781 1.232 . . . . 0.0 111.019 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 67.1 mt -78.87 114.9 20.23 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 22.3 p -63.39 116.59 5.67 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-O 121.228 0.537 . . . . 0.0 111.835 -175.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.411 HG23 ' HB3' ' A' 1606 ' ' TYR . 12.7 p -112.84 11.77 8.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 CA-C-O 122.929 1.347 . . . . 0.0 108.362 177.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1575 ' ' GLY . . . . . 0.424 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 166.3 129.97 1.11 Allowed Glycine 0 N--CA 1.418 -2.517 0 C-N-CA 119.669 -1.253 . . . . 0.0 113.846 177.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.42 ' HB2' ' HB3' ' A' 1594 ' ' ASP . 23.5 tptm -77.41 151.68 34.66 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 174.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -65.23 113.14 3.8 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 122.355 0.262 . . . . 0.0 110.654 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -119.33 160.1 22.9 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 122.717 0.407 . . . . 0.0 110.068 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 24.2 pttm -128.97 8.83 5.71 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.177 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -77.37 91.43 3.85 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.978 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.421 HD12 ' HB3' ' A' 1588 ' ' LEU . 55.8 tp -87.12 126.85 35.04 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.824 -178.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -112.74 134.18 54.39 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.458 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1583 ' ' TYR . . . . . 0.429 ' CZ ' ' HA ' ' A' 1586 ' ' GLN . 86.6 t80 -108.33 103.63 12.84 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 171.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 2.7 p -142.11 127.74 17.89 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.301 -173.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 63.73 43.26 5.68 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 122.745 1.26 . . . . 0.0 110.442 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1586 ' ' GLN . . . . . 0.429 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 54.8 mt-30 62.63 15.97 8.45 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 114.067 -1.424 . . . . 0.0 113.71 177.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 34.5 m -132.3 157.3 43.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.49 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 81.4 mt -95.71 122.51 38.55 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -113.65 124.2 51.75 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.055 -175.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 53.7 mt -114.89 123.14 48.41 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 172.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 47.3 t -114.39 112.12 38.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1592 ' ' TYR . . . . . 0.424 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 27.4 m-85 -89.39 98.99 12.08 Favored 'General case' 0 N--CA 1.42 -1.969 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 65.9 mttm -88.74 174.81 7.79 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.39 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1594 ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' A' 1576 ' ' LYS . 15.4 t70 65.33 93.37 0.07 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.389 1.075 . . . . 0.0 110.649 -175.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -141.32 -173.84 13.94 Favored Glycine 0 N--CA 1.429 -1.8 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 49.1 m -67.58 131.72 92.92 Favored Pre-proline 0 C--N 1.305 -1.344 0 C-N-CA 122.784 0.434 . . . . 0.0 110.414 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.06 130.06 32.87 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.712 2.275 . . . . 0.0 110.754 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 68.8 m . . . . . 0 C--N 1.302 -1.482 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.279 -178.458 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 80.8 mt . . . . . 0 N--CA 1.439 -0.977 0 CA-C-O 120.758 0.314 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 50.1 m -135.78 140.45 44.3 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.452 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 95.4 m-85 -55.54 119.4 5.6 Favored 'General case' 0 CA--C 1.517 -0.323 0 O-C-N 124.267 0.98 . . . . 0.0 111.544 -176.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -128.27 151.73 48.95 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.072 -175.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 31.3 t -117.8 131.32 56.59 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.154 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 87.6 t -118.97 111.98 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 53.4 mt -102.96 130.7 52.66 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 15.9 m -122.06 107.68 12.49 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 121.146 0.498 . . . . 0.0 110.525 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.49 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 80.3 m-85 -85.7 117.13 24.39 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 38.6 t -104.07 139.78 24.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 11.8 t -64.42 126.94 29.42 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 123.726 0.81 . . . . 0.0 112.27 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -144.09 100.11 4.97 Favored Pre-proline 0 N--CA 1.433 -1.276 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo . . . . . 0 CA--C 1.53 0.319 0 C-N-CA 122.533 2.155 . . . . 0.0 110.676 177.296 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 . . . . . 0 N--CA 1.44 -0.971 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -75.8 122.31 6.76 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 121.88 1.72 . . . . 0.0 110.941 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 20.2 ptp -122.82 130.19 52.59 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.725 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 2.1 tt -83.94 113.89 21.3 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.3 mm -99.97 -36.83 5.42 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-O 120.904 0.383 . . . . 0.0 111.853 -174.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 19.5 m -144.29 135.05 25.0 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 121.986 -0.446 . . . . 0.0 110.539 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -118.53 102.89 9.23 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.28 90.58 3.36 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -75.43 -22.12 57.61 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.979 -176.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -65.19 -35.55 81.41 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.014 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 36.6 p -105.71 11.93 31.57 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.39 0.614 . . . . 0.0 110.251 174.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1634 ' ' CYS . . . . . 0.452 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 77.3 m 55.58 39.41 30.98 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.16 178.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 39.8 m -119.43 125.25 48.51 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-O 121.073 0.463 . . . . 0.0 111.313 -177.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.0 mp -105.48 124.58 49.8 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -99.1 110.07 22.7 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-O 120.929 0.395 . . . . 0.0 110.869 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -108.97 144.38 37.01 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 22.7 t -127.69 156.35 42.52 Favored 'General case' 0 N--CA 1.405 -2.717 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -143.06 143.35 31.84 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -107.99 111.65 23.83 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.2 t -138.28 143.52 39.28 Favored Pre-proline 0 C--N 1.308 -1.197 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1643 ' ' PRO . . . . . 0.413 ' HA ' ' SG ' ' A' 1646 ' ' CYS . 67.5 Cg_endo -75.3 -4.85 15.92 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.007 2.471 . . . . 0.0 112.724 178.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 95.6 mt -80.98 -16.21 54.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.336 0.589 . . . . 0.0 110.689 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -94.24 23.04 5.36 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.09 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1646 ' ' CYS . . . . . 0.413 ' SG ' ' HA ' ' A' 1643 ' ' PRO . 77.5 m . . . . . 0 C--N 1.299 -1.596 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.829 -176.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1516 ' ' CYS . . . . . 0.519 ' SG ' ' HB2' ' A' 1579 ' ' LYS . 87.0 m . . . . . 0 C--O 1.25 1.09 0 CA-C-O 122.19 0.995 . . . . 0.0 111.476 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -147.7 135.91 21.42 Favored 'General case' 0 N--CA 1.417 -2.115 0 CA-C-N 113.916 -1.493 . . . . 0.0 108.634 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 40.3 t -125.08 137.27 58.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 9.0 m -107.22 133.58 51.59 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 44.1 p30 -97.11 126.75 41.07 Favored Pre-proline 0 C--O 1.213 -0.82 0 C-N-CA 119.557 -0.857 . . . . 0.0 109.892 174.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.56 -12.52 24.76 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 122.158 1.906 . . . . 0.0 113.194 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 20.2 t -71.35 -65.81 0.7 Allowed 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.34 -5.22 40.5 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 72.46 31.58 63.08 Favored Glycine 0 CA--C 1.5 -0.884 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.178 174.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 29.8 m170 -107.05 149.78 27.22 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.061 0.458 . . . . 0.0 112.109 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 65.9 tp -107.39 126.21 52.19 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.377 -175.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -108.69 115.3 29.83 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 178.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -128.89 154.57 46.38 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.44 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.5 mt -123.21 24.91 8.64 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.609 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 14.9 m -66.71 -27.75 67.89 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.651 -173.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 23.9 m -81.8 -7.6 59.61 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.02 0.438 . . . . 0.0 110.998 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 87.8 mt -106.82 0.16 23.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.409 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1533 ' ' SER . . . . . 0.491 ' HA ' ' O ' ' A' 1552 ' ' ILE . 26.0 t -69.06 144.39 54.0 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.365 -177.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -167.25 146.94 11.19 Favored Glycine 0 N--CA 1.434 -1.472 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 59.0 mtp85 -84.08 -39.37 19.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.918 0.422 . . . . 0.0 111.415 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -84.04 -32.92 24.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.766 0.793 . . . . 0.0 108.984 175.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1537 ' ' GLY . . . . . 0.415 ' HA3' ' HA ' ' A' 1551 ' ' SER . . . 72.84 -138.44 25.76 Favored Glycine 0 N--CA 1.428 -1.871 0 CA-C-N 114.082 -1.417 . . . . 0.0 113.095 174.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 84.5 t80 -120.02 146.32 45.99 Favored 'General case' 0 C--N 1.288 -2.082 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 51.1 m -116.6 108.54 16.09 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-O 121.221 0.534 . . . . 0.0 110.071 177.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -96.1 106.65 18.86 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1541 ' ' ALA . . . . . 0.442 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -90.89 110.78 22.01 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.047 -176.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1542 ' ' TYR . . . . . 0.451 ' OH ' ' HB2' ' A' 1626 ' ' LEU . 98.3 m-85 . . . . . 0 C--N 1.299 -1.62 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 176.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1547 ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . . . . . . 0 N--CA 1.426 -2.002 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 17.7 t -88.28 111.93 23.06 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -89.57 104.05 16.64 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 15.1 ptm -119.93 113.79 21.09 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-O 121.422 0.63 . . . . 0.0 110.641 -173.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1551 ' ' SER . . . . . 0.415 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 24.5 m -88.49 152.29 21.97 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1552 ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' 1533 ' ' SER . 44.2 mm -111.83 104.57 17.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 -177.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 46.0 t 63.48 68.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.125 0.891 . . . . 0.0 110.178 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 165.58 -170.53 40.47 Favored Glycine 0 N--CA 1.435 -1.394 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.85 145.79 28.12 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.102 0.477 . . . . 0.0 110.114 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -85.55 110.81 19.48 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.422 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -79.72 3.25 19.87 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.307 -0.86 . . . . 0.0 113.29 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -91.22 -6.48 53.32 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 177.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1559 ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' 1571 ' ' ARG . 83.2 m -130.23 179.25 1.38 Allowed Pre-proline 0 C--N 1.294 -1.809 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 178.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -57.19 119.88 7.43 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 121.412 1.408 . . . . 0.0 110.695 174.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -51.21 107.07 0.15 Allowed 'Trans proline' 0 C--N 1.366 1.457 0 C-N-CA 123.212 2.608 . . . . 0.0 111.55 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 152.71 -32.0 0.83 Allowed Glycine 0 N--CA 1.431 -1.687 0 N-CA-C 107.967 -2.053 . . . . 0.0 107.967 -176.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 54.7 t -78.04 143.58 12.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 106.452 -1.684 . . . . 0.0 106.452 172.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -107.32 -20.88 8.32 Favored Glycine 0 C--N 1.316 -0.553 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.843 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -151.99 139.03 19.11 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 69.9 m -127.47 133.81 49.87 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.658 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 72.5 t80 -103.45 118.18 36.16 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.661 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 89.32 177.27 45.92 Favored Glycine 0 N--CA 1.437 -1.259 0 CA-C-N 115.808 -0.633 . . . . 0.0 113.612 172.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -72.78 -24.52 60.95 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 123.209 0.604 . . . . 0.0 110.11 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 24.9 m -72.96 -14.58 61.48 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-O 121.924 0.869 . . . . 0.0 109.572 174.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1571 ' ' ARG . . . . . 0.515 ' HB3' ' SG ' ' A' 1559 ' ' CYS . 99.2 mtt180 57.26 47.58 16.63 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 126.044 1.738 . . . . 0.0 112.103 176.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.84 126.15 23.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.203 -1.362 . . . . 0.0 109.209 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 37.4 p -61.92 111.63 1.98 Allowed 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 121.298 0.571 . . . . 0.0 111.287 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.44 HG22 ' HB3' ' A' 1606 ' ' TYR . 12.8 p -109.83 30.41 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-O 123.262 1.506 . . . . 0.0 108.384 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1575 ' ' GLY . . . . . 0.45 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 148.29 138.64 3.06 Favored Glycine 0 N--CA 1.413 -2.87 0 CA-C-N 114.037 -1.438 . . . . 0.0 112.926 176.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 49.3 tptt -78.44 159.02 28.51 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 175.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -62.54 86.32 0.02 OUTLIER 'General case' 0 C--O 1.248 0.981 0 CA-C-O 121.409 0.623 . . . . 0.0 111.126 177.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -102.23 135.21 44.23 Favored 'General case' 0 CA--C 1.493 -1.228 0 C-N-CA 124.419 1.088 . . . . 0.0 109.125 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1579 ' ' LYS . . . . . 0.519 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 0.0 OUTLIER -138.19 38.6 2.31 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-O 122.435 1.112 . . . . 0.0 110.388 -179.052 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -97.21 92.08 5.84 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' 1588 ' ' LEU . 2.6 tt -76.66 123.45 26.15 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -176.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -102.93 129.96 49.83 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1583 ' ' TYR . . . . . 0.554 ' CE1' ' HA ' ' A' 1586 ' ' GLN . 80.6 t80 -98.47 100.56 11.82 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 176.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 19.4 m -119.89 106.1 18.41 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.967 -174.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 35.7 t70 56.11 49.55 15.35 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 122.11 0.957 . . . . 0.0 110.137 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1586 ' ' GLN . . . . . 0.554 ' HA ' ' CE1' ' A' 1583 ' ' TYR . 24.8 tt0 60.94 26.75 16.66 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-N 114.437 -1.256 . . . . 0.0 111.567 -179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 97.3 t -119.45 132.26 69.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.534 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 96.4 mt -89.69 113.5 25.0 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -110.01 131.0 55.45 Favored 'General case' 0 C--N 1.288 -2.081 0 CA-C-O 120.833 0.349 . . . . 0.0 111.529 -177.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 70.0 mt -114.62 123.28 48.92 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 171.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 6.4 p -120.09 111.05 30.88 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-O 121.907 0.861 . . . . 0.0 110.823 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1592 ' ' TYR . . . . . 0.45 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 97.7 m-85 -89.95 100.46 13.27 Favored 'General case' 0 N--CA 1.422 -1.83 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.012 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -95.94 173.1 7.61 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.217 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 18.4 t70 62.51 87.46 0.1 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.065 1.346 . . . . 0.0 112.09 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -127.57 -156.86 9.23 Favored Glycine 0 N--CA 1.431 -1.635 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 44.3 m -68.63 131.31 91.44 Favored Pre-proline 0 C--N 1.309 -1.163 0 CA-C-N 117.302 0.551 . . . . 0.0 110.411 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -63.78 114.57 2.64 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.866 2.377 . . . . 0.0 110.961 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 55.7 m . . . . . 0 C--N 1.299 -1.623 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.343 -179.788 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.432 -1.346 0 CA-C-O 122.055 0.931 . . . . 0.0 112.659 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 33.7 p 168.36 119.74 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 113.719 -1.582 . . . . 0.0 108.687 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.44 ' HB3' HG22 ' A' 1574 ' ' VAL . 42.4 m-85 -70.3 121.94 18.61 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.981 172.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.57 157.7 36.47 Favored 'General case' 0 C--O 1.248 1.011 0 C-N-CA 123.242 0.617 . . . . 0.0 111.11 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 23.1 t -134.67 128.53 33.23 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.182 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 57.9 t -116.84 109.91 29.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 48.2 mt -101.69 119.51 50.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 17.7 t -108.05 102.8 11.93 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.534 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 93.9 m-85 -89.69 101.51 14.2 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 58.5 t -92.59 137.44 22.25 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.702 -176.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 11.0 t -67.63 107.16 2.43 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 124.052 0.845 . . . . 0.0 111.242 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1615 ' ' ARG . . . . . 0.525 ' HA ' ' NE ' ' A' 1615 ' ' ARG . 4.4 mmp_? -136.43 100.99 10.12 Favored Pre-proline 0 C--N 1.312 -1.055 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.56 175.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo . . . . . 0 CA--C 1.541 0.873 0 C-N-CA 122.832 2.354 . . . . 0.0 111.372 176.937 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.402 ' HB3' ' CE3' ' A' 1640 ' ' TRP . 87.9 Cg_endo -82.79 161.09 16.3 Favored 'Trans proline' 0 C--O 1.248 1.006 0 C-N-CA 122.776 2.317 . . . . 0.0 111.527 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -140.45 143.93 35.83 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-O 121.236 0.541 . . . . 0.0 111.122 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1626 ' ' LEU . . . . . 0.451 ' HB2' ' OH ' ' A' 1542 ' ' TYR . 2.1 tt -80.7 103.25 10.42 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.8 mm -79.59 -48.79 20.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.225 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 33.4 t -137.47 129.37 28.88 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 121.249 0.547 . . . . 0.0 110.124 -176.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.93 99.65 9.08 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -101.75 98.16 8.46 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.541 177.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 26.6 tptp -85.06 -4.89 59.32 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.518 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -74.17 -51.2 16.25 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.659 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 13.1 p -112.94 14.99 19.82 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 121.498 0.666 . . . . 0.0 110.912 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 60.9 m 57.13 54.88 6.43 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 114.226 -1.352 . . . . 0.0 112.263 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 27.8 m -125.82 110.79 14.1 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -95.92 126.04 40.9 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.92 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -101.97 114.19 28.08 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.613 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -115.79 130.13 56.72 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 13.2 t -113.02 142.54 45.6 Favored 'General case' 0 N--CA 1.415 -2.195 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 177.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1640 ' ' TRP . . . . . 0.402 ' CE3' ' HB3' ' A' 1624 ' ' PRO . 2.0 t90 -129.25 126.41 39.02 Favored 'General case' 0 N--CA 1.421 -1.903 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 47.2 m80 -97.56 101.65 13.22 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 7.9 t -123.66 142.59 39.55 Favored Pre-proline 0 C--N 1.295 -1.765 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.423 -174.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -79.43 -3.74 13.19 Favored 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 122.633 2.222 . . . . 0.0 110.947 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 91.1 mt -84.39 -7.49 59.29 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 121.462 0.649 . . . . 0.0 110.361 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -95.2 7.36 46.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.887 0.851 . . . . 0.0 108.833 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 83.2 m . . . . . 0 N--CA 1.429 -1.518 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.33 -179.278 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1516 ' ' CYS . . . . . 0.626 ' SG ' ' HB2' ' A' 1529 ' ' LEU . 10.7 t . . . . . 0 N--CA 1.448 -0.555 0 CA-C-O 122.049 0.928 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -152.02 130.06 11.84 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.06 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 65.8 t -119.6 136.66 56.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 28.0 m -101.74 125.04 48.33 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 43.5 t30 -98.44 113.21 63.9 Favored Pre-proline 0 C--N 1.315 -0.895 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.68 -16.02 53.13 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.083 2.522 . . . . 0.0 113.954 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.3 m -66.64 -40.86 88.89 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.697 0.284 . . . . 0.0 110.989 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 13.9 p -109.42 -30.87 7.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.57 0.7 . . . . 0.0 111.654 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 92.18 6.97 64.35 Favored Glycine 0 N--CA 1.437 -1.248 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -178.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -90.76 144.31 25.85 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -176.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 64.2 tp -97.37 132.5 43.03 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -105.37 114.56 28.81 Favored 'General case' 0 CA--C 1.485 -1.523 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.28 133.21 53.79 Favored 'General case' 0 C--N 1.292 -1.915 0 C-N-CA 118.318 -1.353 . . . . 0.0 109.647 177.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1529 ' ' LEU . . . . . 0.626 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 96.1 mt -106.5 9.47 31.58 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 171.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.8 m -63.76 -31.21 72.31 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 124.682 1.193 . . . . 0.0 108.87 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 29.2 m -63.7 -24.21 67.68 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.843 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 96.4 mt -104.47 -13.47 16.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.658 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 20.4 t -62.54 114.62 3.65 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 121.815 0.817 . . . . 0.0 109.693 -176.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -154.31 151.24 22.95 Favored Glycine 0 N--CA 1.409 -3.139 0 N-CA-C 108.411 -1.876 . . . . 0.0 108.411 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -84.37 -19.56 33.39 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 123.89 0.406 . . . . 0.0 111.747 -173.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -88.08 -29.25 20.78 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 174.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1537 ' ' GLY . . . . . 0.535 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 64.4 -115.99 8.52 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 114.047 -1.433 . . . . 0.0 113.276 174.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 55.9 t80 -146.69 141.51 26.89 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' 1548 ' ' VAL . 27.6 m -120.58 107.51 12.92 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -93.39 134.8 35.26 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.47 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -112.61 137.92 50.16 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 95.1 m-85 . . . . . 0 C--N 1.312 -1.06 0 CA-C-O 120.839 0.352 . . . . 0.0 110.546 -178.414 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.487 -1.68 0 N-CA-C 108.33 -1.908 . . . . 0.0 108.33 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1548 ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' 1539 ' ' THR . 8.1 p -135.16 123.98 40.98 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 CA-C-N 117.91 0.855 . . . . 0.0 111.813 -177.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1549 ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' 1565 ' ' ALA . 58.9 m-85 -99.37 113.99 26.63 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 177.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1550 ' ' MET . . . . . 0.535 ' O ' ' HA3' ' A' 1537 ' ' GLY . 22.3 ptp -124.26 131.92 53.55 Favored 'General case' 0 C--N 1.289 -2.033 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.298 -179.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 21.4 t -94.97 149.87 20.78 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 106.301 -1.741 . . . . 0.0 106.301 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 50.0 mm -105.31 104.89 17.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.904 -177.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 73.4 m 67.95 43.62 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.381 -1.281 . . . . 0.0 112.152 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 179.01 -163.8 31.65 Favored Glycine 0 N--CA 1.434 -1.454 0 C-N-CA 120.466 -0.874 . . . . 0.0 111.151 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.26 147.7 22.93 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 120.732 0.301 . . . . 0.0 110.632 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -91.73 127.77 37.32 Favored 'General case' 0 CA--C 1.496 -1.129 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -174.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.26 -8.76 56.58 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -174.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -88.96 -15.45 34.2 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 176.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 86.0 m -105.23 160.36 26.26 Favored Pre-proline 0 C--N 1.303 -1.437 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.84 -176.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -54.14 143.9 60.99 Favored 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 123.242 2.628 . . . . 0.0 111.1 175.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.33 101.41 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 124.24 3.293 . . . . 0.0 113.452 -178.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 128.98 -18.89 5.55 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.016 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 58.5 t -88.49 132.9 32.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -105.04 -21.33 9.04 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.996 -176.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1565 ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' 1549 ' ' TYR . . . -142.68 134.27 26.58 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 120.895 0.379 . . . . 0.0 110.831 -178.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 84.5 m -128.32 137.67 52.05 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.056 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 89.0 t80 -122.5 140.08 53.15 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.263 0.554 . . . . 0.0 111.173 -176.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 95.41 171.76 36.48 Favored Glycine 0 N--CA 1.431 -1.689 0 CA-C-N 115.39 -0.823 . . . . 0.0 113.065 173.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -79.63 -14.8 58.55 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 121.699 0.761 . . . . 0.0 109.758 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 5.2 m -89.32 -1.63 58.13 Favored 'General case' 0 CA--C 1.557 1.248 0 CA-C-O 122.425 1.107 . . . . 0.0 109.269 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 52.47 49.93 19.37 Favored 'General case' 0 C--N 1.361 1.075 0 CA-C-N 113.894 -1.503 . . . . 0.0 112.214 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 77.1 mt -70.77 131.08 34.78 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.298 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 2.7 p -65.93 110.96 3.08 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.071 0.462 . . . . 0.0 110.265 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1574 ' ' VAL . . . . . . . . . . . . . 7.1 p -105.65 1.84 10.26 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.113 -174.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 179.87 139.66 3.84 Favored Glycine 0 N--CA 1.439 -1.125 0 C-N-CA 119.883 -1.151 . . . . 0.0 113.477 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 45.0 tptt -77.59 153.58 33.12 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 107.778 -1.194 . . . . 0.0 107.778 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -67.67 100.43 0.9 Allowed 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.903 0.481 . . . . 0.0 111.734 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 33.9 t30 -113.29 136.28 52.92 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.61 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.74 31.31 4.98 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.427 0.632 . . . . 0.0 111.983 -179.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -92.74 91.45 7.5 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 40.9 tp -78.66 112.82 16.15 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.473 -177.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -106.86 129.27 54.73 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.495 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 84.5 t80 -96.7 105.02 17.06 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 174.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 17.0 m -136.11 138.61 47.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -176.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 32.8 t70 53.67 42.06 31.93 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 122.269 1.033 . . . . 0.0 110.678 178.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 7.1 mp0 66.11 8.7 5.69 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 114.623 -1.172 . . . . 0.0 113.556 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 19.3 m -124.56 161.83 27.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.167 0 O-C-N 121.61 -0.682 . . . . 0.0 110.51 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.495 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 0.5 OUTLIER -97.9 123.81 42.04 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.129 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -123.12 123.62 41.24 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -175.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 72.4 mt -116.77 123.13 46.4 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.591 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 60.1 t -112.11 112.12 39.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 CA-C-O 121.189 0.519 . . . . 0.0 110.042 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.4 94.39 7.79 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -106.69 175.55 5.46 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.628 -174.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 38.5 t70 61.53 60.37 1.67 Allowed 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 125.335 1.454 . . . . 0.0 111.749 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -87.91 -155.48 28.98 Favored Glycine 0 N--CA 1.416 -2.686 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 171.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 21.8 m -71.21 147.4 93.27 Favored Pre-proline 0 C--N 1.284 -2.263 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -59.97 135.02 60.22 Favored 'Trans proline' 0 C--O 1.248 1.02 0 C-N-CA 122.507 2.138 . . . . 0.0 110.068 174.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 34.2 m . . . . . 0 C--N 1.287 -2.133 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.567 -178.285 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 N--CA 1.438 -1.047 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 5.9 m -118.46 140.12 50.35 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1606 ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -61.2 140.0 58.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -140.62 139.32 34.85 Favored 'General case' 0 C--O 1.245 0.856 0 O-C-N 123.841 0.713 . . . . 0.0 109.727 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 23.6 m -111.66 125.79 54.33 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.983 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 64.4 t -108.75 104.54 17.24 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 60.8 mt -99.79 116.48 43.12 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 20.1 m -111.11 116.62 31.42 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.993 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.495 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 65.1 m-85 -92.36 113.08 25.25 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 31.6 t -109.3 144.12 18.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -178.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 8.8 t -60.68 125.09 22.41 Favored 'General case' 0 C--O 1.249 1.053 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -145.66 95.38 4.94 Favored Pre-proline 0 N--CA 1.432 -1.343 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 172.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo . . . . . 0 CA--C 1.536 0.612 0 C-N-CA 122.83 2.353 . . . . 0.0 112.447 -178.36 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 . . . . . 0 N--CA 1.433 -1.286 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.75 122.61 7.43 Favored 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 121.883 1.722 . . . . 0.0 109.986 175.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 84.3 mtp -105.78 147.15 28.95 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.8 tt -90.39 100.5 13.32 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.0 mm -80.65 -46.0 21.4 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.315 -174.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 14.7 m -137.63 126.56 24.14 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.902 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.18 95.54 5.91 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 177.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.4 t70 -100.91 101.36 12.16 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.178 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 64.8 mttp -84.47 1.32 46.07 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.78 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -77.93 -46.62 20.7 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 15.8 p -117.09 11.79 14.31 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.568 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 80.6 m 57.92 56.39 4.74 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.267 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 31.1 m -132.36 124.87 29.59 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.033 0.444 . . . . 0.0 110.417 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.22 121.13 43.2 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -95.19 108.25 20.37 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.057 -178.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -107.71 135.7 48.7 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.767 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 74.4 m -119.6 116.57 26.29 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 176.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -101.28 133.08 46.4 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -104.99 101.91 11.44 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.9 t -128.17 141.85 42.63 Favored Pre-proline 0 C--N 1.303 -1.456 0 CA-C-O 121.58 0.705 . . . . 0.0 111.267 -174.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.01 -11.46 25.44 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.43 2.754 . . . . 0.0 111.337 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 93.8 mt -77.51 -17.52 57.9 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.582 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -90.27 5.83 45.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.361 0.6 . . . . 0.0 110.378 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 63.0 m . . . . . 0 C--N 1.31 -1.134 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.735 -178.887 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 C--O 1.252 1.191 0 CA-C-O 121.325 0.583 . . . . 0.0 111.795 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1517 ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' 1527 ' ' PHE . 13.5 pt20 -143.74 133.38 23.66 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.177 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 60.2 t -117.54 132.18 68.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.037 -177.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 9.9 m -101.34 120.51 40.37 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 175.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -86.99 111.1 38.18 Favored Pre-proline 0 C--N 1.305 -1.342 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.62 -10.2 25.54 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.303 2.669 . . . . 0.0 114.058 -175.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 31.9 t -80.81 -53.43 6.49 Favored 'General case' 0 N--CA 1.433 -1.307 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 45.6 p -94.39 -30.28 14.56 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.001 0.429 . . . . 0.0 112.126 -178.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 94.56 10.71 57.76 Favored Glycine 0 N--CA 1.441 -1.03 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.856 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 12.0 t60 -88.62 139.48 30.43 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 122.389 -0.477 . . . . 0.0 110.41 -177.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 62.2 tp -101.54 112.78 25.44 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.553 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' 1517 ' ' GLN . 91.2 m-85 -95.7 106.94 19.11 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.452 -177.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 3.6 p30 -116.99 154.17 31.36 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 72.8 mt -119.76 28.57 8.05 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.59 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 46.3 p -55.96 -33.76 65.07 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 21.3 p -73.85 -27.76 61.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.27 0.557 . . . . 0.0 111.428 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 77.5 mt -96.24 -0.21 50.11 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 33.9 m -82.92 97.92 8.93 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-O 121.107 0.48 . . . . 0.0 109.775 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -107.6 136.86 13.69 Favored Glycine 0 N--CA 1.435 -1.396 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -81.36 -22.37 38.46 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -84.27 -27.12 28.1 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 173.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 95.37 -159.52 22.56 Favored Glycine 0 N--CA 1.414 -2.794 0 CA-C-N 113.687 -1.597 . . . . 0.0 109.927 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -125.11 136.81 54.0 Favored 'General case' 0 C--N 1.278 -2.531 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.517 ' HA ' ' O ' ' A' 1548 ' ' VAL . 41.2 m -126.72 107.21 9.96 Favored 'General case' 0 C--N 1.282 -2.327 0 C-N-CA 120.094 -0.643 . . . . 0.0 110.227 178.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -96.51 106.84 19.15 Favored 'General case' 0 N--CA 1.421 -1.906 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 175.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1541 ' ' ALA . . . . . 0.405 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -95.9 104.67 16.61 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 121.175 0.512 . . . . 0.0 110.126 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--N 1.299 -1.601 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.298 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1547 ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . . . . . . 0 N--CA 1.434 -1.457 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1548 ' ' VAL . . . . . 0.517 ' O ' ' HA ' ' A' 1539 ' ' THR . 23.1 t -92.42 108.33 20.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.754 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -91.07 104.02 16.65 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.5 ptm -119.69 137.05 54.15 Favored 'General case' 0 C--N 1.278 -2.515 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.622 -175.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 34.5 t -96.94 149.64 21.66 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 50.7 mm -125.65 105.33 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 52.5 t 74.97 91.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 111.203 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 97.62 -157.38 20.78 Favored Glycine 0 N--CA 1.437 -1.269 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.268 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.47 149.31 26.3 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-O 120.901 0.381 . . . . 0.0 110.58 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -105.26 141.49 36.7 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.47 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.35 -0.13 24.48 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.304 -176.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -90.85 6.5 44.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.185 0.993 . . . . 0.0 108.765 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 62.1 m -137.11 164.07 44.75 Favored Pre-proline 0 N--CA 1.429 -1.48 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 175.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -63.44 128.06 21.51 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 121.648 1.565 . . . . 0.0 109.335 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -50.44 104.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 123.324 2.683 . . . . 0.0 112.596 -177.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 137.55 -28.39 2.77 Favored Glycine 0 N--CA 1.429 -1.811 0 N-CA-C 108.588 -1.805 . . . . 0.0 108.588 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 87.0 t -88.27 143.45 11.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 174.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -124.21 9.48 8.37 Favored Glycine 0 N--CA 1.44 -1.093 0 C-N-CA 119.64 -1.267 . . . . 0.0 112.896 -176.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -165.52 129.64 2.32 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 120.914 0.388 . . . . 0.0 110.386 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 63.8 m -129.87 132.75 46.54 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 35.2 t80 -109.56 115.91 30.78 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.59 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 94.26 175.71 39.07 Favored Glycine 0 N--CA 1.429 -1.829 0 C-N-CA 120.925 -0.655 . . . . 0.0 113.247 173.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -71.42 -23.79 61.92 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 123.596 0.758 . . . . 0.0 109.163 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 18.5 m -73.68 -11.39 60.4 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.495 177.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 60.81 41.07 15.17 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.106 0.962 . . . . 0.0 111.782 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.6 116.65 2.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 20.2 p -64.72 110.82 2.51 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-O 121.427 0.632 . . . . 0.0 110.733 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.489 HG22 ' HB3' ' A' 1606 ' ' TYR . 14.4 p -112.32 18.06 7.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 CA-C-O 122.242 1.02 . . . . 0.0 109.735 -174.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 169.55 137.92 2.37 Favored Glycine 0 N--CA 1.429 -1.786 0 C-N-CA 120.197 -1.002 . . . . 0.0 113.397 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 45.1 tptt -84.12 150.46 25.53 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 106.611 -1.626 . . . . 0.0 106.611 176.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -58.48 129.45 42.12 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 123.635 0.774 . . . . 0.0 112.557 -176.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -129.12 140.74 51.43 Favored 'General case' 0 C--O 1.253 1.274 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 24.0 pttm -136.89 15.79 3.07 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.544 0.687 . . . . 0.0 110.109 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -96.61 93.29 6.67 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.497 -178.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 17.3 mt -75.86 131.29 39.61 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 120.742 0.306 . . . . 0.0 111.646 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -119.8 138.77 53.15 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 173.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1583 ' ' TYR . . . . . 0.571 ' CZ ' ' HA ' ' A' 1586 ' ' GLN . 22.9 t80 -112.8 100.91 9.04 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -176.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 14.4 m -119.74 112.32 36.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.088 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.3 t70 59.92 48.97 8.26 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 122.403 1.097 . . . . 0.0 111.237 177.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1586 ' ' GLN . . . . . 0.571 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 50.7 mt-30 65.71 19.64 11.42 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 114.419 -1.264 . . . . 0.0 112.112 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 62.6 t -125.34 125.65 69.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.461 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 76.2 mt -85.14 140.17 31.14 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 175.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -136.74 134.74 37.45 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 119.627 -0.829 . . . . 0.0 111.591 -176.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 83.6 mt -130.08 123.84 31.4 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 124.952 1.301 . . . . 0.0 108.714 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.7 p -113.49 111.86 37.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 CA-C-O 121.978 0.894 . . . . 0.0 111.469 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -92.67 91.08 7.36 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 54.0 pttt -112.54 169.3 8.98 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.252 -175.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 35.7 t70 68.6 88.83 0.11 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.954 1.301 . . . . 0.0 112.231 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -132.77 -122.17 2.3 Favored Glycine 0 N--CA 1.425 -2.048 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 38.7 m -76.55 145.75 75.94 Favored Pre-proline 0 C--N 1.298 -1.655 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -74.98 141.78 27.11 Favored 'Trans proline' 0 C--O 1.243 0.746 0 C-N-CA 122.65 2.233 . . . . 0.0 110.771 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 C--N 1.3 -1.584 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.131 -179.519 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 C--O 1.253 1.253 0 CA-C-O 121.332 0.587 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 36.1 t -136.65 152.13 50.07 Favored 'General case' 0 N--CA 1.418 -2.047 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.489 ' HB3' HG22 ' A' 1574 ' ' VAL . 96.9 m-85 -65.15 131.97 47.93 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.568 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -138.23 143.92 40.35 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.961 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 19.7 m -116.98 119.88 36.67 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.792 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 48.3 t -103.9 110.02 28.94 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 67.0 mt -101.33 125.84 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.237 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 16.8 p -121.27 124.67 45.18 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.668 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.461 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 76.8 m-85 -101.28 101.14 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 42.2 t -84.27 132.59 31.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.881 -175.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 43.8 t -62.32 105.22 0.58 Allowed 'General case' 0 C--O 1.242 0.675 0 O-C-N 124.068 0.855 . . . . 0.0 110.116 176.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -129.39 91.32 41.78 Favored Pre-proline 0 C--N 1.305 -1.332 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo . . . . . 0 C--O 1.235 0.33 0 C-N-CA 123.153 2.569 . . . . 0.0 112.967 -177.742 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 . . . . . 0 C--O 1.248 0.974 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -67.04 122.22 9.51 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 121.843 1.695 . . . . 0.0 110.297 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 15.0 tpt -109.88 138.89 45.61 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.216 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.7 tt -83.72 103.86 13.37 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 105.423 -2.066 . . . . 0.0 105.423 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.0 mm -82.03 -50.09 16.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.248 -174.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 21.2 t -137.72 134.16 35.01 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.89 97.09 6.78 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 20.7 t70 -103.04 101.59 11.57 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 118.921 -1.112 . . . . 0.0 110.224 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -84.21 -7.09 59.45 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.861 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -76.81 -49.9 14.76 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.97 0.414 . . . . 0.0 110.627 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 46.0 p -98.89 6.38 46.81 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 121.484 0.659 . . . . 0.0 110.643 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 59.6 m 59.1 45.48 14.53 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.297 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 18.1 m -122.73 118.21 27.52 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.144 -176.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.08 125.74 49.94 Favored 'General case' 0 N--CA 1.428 -1.562 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -98.19 120.23 38.23 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.426 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -117.44 138.89 51.54 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 10.9 t -133.14 141.03 47.93 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.3 t90 -124.31 128.8 49.67 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 66.6 m170 -90.26 105.44 17.81 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 174.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 4.2 t -132.34 137.37 29.83 Favored Pre-proline 0 C--N 1.301 -1.515 0 CA-C-O 121.257 0.551 . . . . 0.0 111.69 -177.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.28 -3.25 12.5 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 122.555 2.17 . . . . 0.0 111.046 174.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.58 -12.26 56.33 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.098 0.475 . . . . 0.0 110.651 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -86.03 -10.01 55.77 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 42.2 m . . . . . 0 N--CA 1.431 -1.411 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 179.8 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 83.4 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 121.948 0.88 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -150.93 134.43 16.31 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 114.341 -1.3 . . . . 0.0 108.687 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 90.2 t -133.45 137.4 53.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 18.2 m -116.09 130.96 57.05 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1520 ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' A' 1521 ' ' PRO . 29.9 p30 -94.26 131.89 30.35 Favored Pre-proline 0 C--N 1.312 -1.05 0 C-N-CA 119.517 -0.873 . . . . 0.0 109.933 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1521 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 1520 ' ' ASN . 3.7 Cg_exo -79.66 -5.92 14.2 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 121.922 1.748 . . . . 0.0 111.91 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 14.9 m -74.39 -57.86 3.67 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.959 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 3.9 p -115.14 -7.42 12.45 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 82.64 17.92 67.15 Favored Glycine 0 N--CA 1.441 -1.02 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.824 176.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 27.9 m170 -91.98 140.86 29.24 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.206 0.527 . . . . 0.0 111.683 -177.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 59.3 tp -98.49 130.17 45.08 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.854 -176.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -113.4 132.81 55.48 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 4.0 p30 -150.33 157.09 42.67 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 120.634 -0.426 . . . . 0.0 109.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.6 mt -118.13 27.42 9.0 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 16.4 m -71.44 -9.17 57.75 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -173.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 28.5 p -91.57 -17.04 26.22 Favored 'General case' 0 C--N 1.309 -1.16 0 O-C-N 121.76 -0.588 . . . . 0.0 111.406 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 95.7 mt -106.73 -16.51 14.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.961 0.41 . . . . 0.0 110.624 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 30.0 p -59.67 124.38 19.93 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.737 0.815 . . . . 0.0 112.029 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -172.01 147.9 10.42 Favored Glycine 0 N--CA 1.425 -2.051 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -78.62 -18.24 54.82 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -175.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -85.89 -29.62 23.52 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1537 ' ' GLY . . . . . 0.438 ' HA3' ' HA ' ' A' 1551 ' ' SER . . . 69.14 -110.28 3.3 Favored Glycine 0 N--CA 1.433 -1.513 0 CA-C-N 114.263 -1.335 . . . . 0.0 113.734 174.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 57.1 t80 -163.64 132.12 3.75 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 59.4 m -91.53 107.84 19.49 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -98.35 105.66 17.84 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -101.14 127.22 47.79 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.309 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 64.2 m-85 . . . . . 0 C--N 1.297 -1.69 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.795 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 89.8 t -85.31 102.45 11.15 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 CA-C-O 121.739 0.78 . . . . 0.0 109.812 -178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -84.33 105.02 14.85 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.5 ptm -122.57 130.04 52.58 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-O 121.374 0.607 . . . . 0.0 111.255 -176.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1551 ' ' SER . . . . . 0.438 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 17.1 t -88.85 150.4 22.91 Favored 'General case' 0 N--CA 1.423 -1.789 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 176.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 45.9 mm -108.27 93.72 2.68 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 36.1 t 70.18 61.25 0.24 Allowed 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 124.631 1.207 . . . . 0.0 110.377 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 169.25 -170.54 42.62 Favored Glycine 0 N--CA 1.428 -1.858 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -93.05 135.16 34.47 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -77.24 130.45 37.25 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.073 -175.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.47 -23.65 61.08 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.096 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 16.0 m120 -82.4 -1.38 49.83 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.067 0.46 . . . . 0.0 110.174 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 76.7 m -130.58 166.56 26.19 Favored Pre-proline 0 C--N 1.307 -1.257 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -59.52 144.45 99.42 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 122.321 2.014 . . . . 0.0 111.001 173.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -54.95 118.64 5.37 Favored 'Trans proline' 0 C--O 1.245 0.874 0 C-N-CA 123.532 2.822 . . . . 0.0 113.09 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 121.48 -20.48 8.32 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.541 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 60.4 t -88.24 134.57 27.73 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -95.41 -29.97 8.48 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.644 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -150.13 145.69 26.47 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 122.389 -0.477 . . . . 0.0 110.823 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 73.7 m -130.28 133.83 46.78 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 123.162 0.585 . . . . 0.0 109.469 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 89.2 t80 -97.68 125.91 42.72 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -178.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 85.05 165.48 40.23 Favored Glycine 0 N--CA 1.429 -1.82 0 CA-C-N 115.344 -0.843 . . . . 0.0 113.18 172.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -67.61 -17.81 64.75 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.454 0.645 . . . . 0.0 109.87 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 6.4 m -71.8 -15.51 62.16 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.022 176.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 62.74 46.13 5.42 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.854 1.662 . . . . 0.0 111.672 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.96 115.09 19.4 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 3.8 p -55.98 115.57 2.48 Favored 'General case' 0 C--N 1.314 -0.975 0 O-C-N 123.634 0.584 . . . . 0.0 111.587 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.453 HG22 ' HB3' ' A' 1606 ' ' TYR . 14.4 p -113.24 24.62 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.291 0 CA-C-O 122.249 1.023 . . . . 0.0 110.812 -175.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 154.27 148.18 4.88 Favored Glycine 0 C--O 1.242 0.626 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.694 174.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' 1594 ' ' ASP . 47.7 mmtm -81.49 153.48 26.82 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 123.454 0.702 . . . . 0.0 109.704 176.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -69.56 108.97 4.04 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.571 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 13.4 m120 -122.88 155.08 37.38 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -130.95 27.85 4.86 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.13 0.49 . . . . 0.0 111.616 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -95.51 115.76 27.88 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.562 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.46 HD21 ' HB3' ' A' 1588 ' ' LEU . 25.4 mt -94.33 132.26 39.11 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.603 0.716 . . . . 0.0 111.613 175.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -114.67 125.85 54.21 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 173.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1583 ' ' TYR . . . . . 0.535 ' CZ ' ' HA ' ' A' 1586 ' ' GLN . 42.3 t80 -102.8 100.28 10.28 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 16.3 m -123.76 113.36 36.83 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.881 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.1 t70 52.29 55.15 9.57 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.97 1.308 . . . . 0.0 111.609 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1586 ' ' GLN . . . . . 0.535 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 83.6 mt-30 64.86 26.64 12.89 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 114.125 -1.398 . . . . 0.0 112.921 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 62.0 t -128.82 130.24 68.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.501 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 74.0 mt -92.7 117.05 29.58 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 173.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -104.95 126.24 51.8 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 28.8 mt -114.79 123.74 49.98 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 169.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1591 ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' 1608 ' ' SER . 7.4 p -120.06 115.89 48.72 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.813 177.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -89.57 101.15 13.83 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 175.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -101.05 157.01 17.08 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.56 -174.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1594 ' ' ASP . . . . . 0.449 ' O ' ' HG2' ' A' 1576 ' ' LYS . 34.1 t70 70.62 75.73 0.2 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.007 1.323 . . . . 0.0 112.991 178.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -98.13 -136.66 9.32 Favored Glycine 0 N--CA 1.423 -2.178 0 N-CA-C 110.154 -1.179 . . . . 0.0 110.154 172.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 49.5 m -78.55 145.89 68.42 Favored Pre-proline 0 C--N 1.295 -1.787 0 CA-C-O 120.582 0.229 . . . . 0.0 110.993 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -64.59 130.6 26.97 Favored 'Trans proline' 0 C--O 1.25 1.085 0 C-N-CA 123.068 2.512 . . . . 0.0 110.7 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 63.8 m . . . . . 0 C--N 1.302 -1.459 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.235 -176.94 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 76.6 mt . . . . . 0 C--O 1.246 0.902 0 CA-C-O 121.319 0.58 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 36.5 m -130.73 142.81 50.43 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.453 ' HB3' HG22 ' A' 1574 ' ' VAL . 99.1 m-85 -59.19 139.68 56.69 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 123.944 0.778 . . . . 0.0 113.01 -175.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -130.9 151.12 51.67 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.915 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1608 ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' 1591 ' ' VAL . 32.3 m -114.78 113.85 24.8 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 120.937 0.399 . . . . 0.0 110.727 176.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 65.6 t -102.86 107.45 22.05 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 56.9 mt -101.39 114.1 39.59 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 8.5 t -100.93 100.65 11.31 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.279 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.501 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 93.3 m-85 -88.74 99.7 12.56 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.5 t -88.88 132.7 33.04 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -175.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1614 ' ' CYS . . . . . 0.433 ' HB3' ' HB3' ' A' 1586 ' ' GLN . 22.6 t -56.13 99.51 0.03 OUTLIER 'General case' 0 C--O 1.244 0.791 0 O-C-N 124.427 1.08 . . . . 0.0 109.54 174.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -127.45 98.51 28.9 Favored Pre-proline 0 N--CA 1.42 -1.946 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.341 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo . . . . . 0 CA--C 1.537 0.634 0 C-N-CA 123.26 2.64 . . . . 0.0 110.62 176.062 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 . . . . . 0 C--O 1.244 0.791 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -75.9 127.68 10.25 Favored 'Trans proline' 0 C--O 1.247 0.932 0 C-N-CA 122.439 2.093 . . . . 0.0 108.977 170.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 50.3 ttm -134.45 131.17 37.8 Favored 'General case' 0 C--N 1.291 -1.939 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.688 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1626 ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' 1637 ' ' PHE . 42.2 tp -70.7 117.99 12.92 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 173.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 46.9 mm -91.57 -41.22 13.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 -176.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.1 t -152.21 138.53 18.46 Favored 'General case' 0 N--CA 1.432 -1.348 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.293 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.25 104.93 15.11 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 105.844 -1.91 . . . . 0.0 105.844 177.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -107.08 102.52 11.85 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 119.747 -0.781 . . . . 0.0 109.595 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -84.22 -3.27 58.07 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.105 0.479 . . . . 0.0 110.814 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -86.45 -50.84 6.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.034 0.445 . . . . 0.0 110.252 -177.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 41.7 p -96.17 2.03 52.76 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.574 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 76.8 m 60.16 47.12 9.73 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 114.368 -1.287 . . . . 0.0 111.21 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 36.2 m -120.28 123.35 42.97 Favored 'General case' 0 N--CA 1.418 -2.063 0 CA-C-O 121.337 0.589 . . . . 0.0 111.122 -175.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1636 ' ' LEU . . . . . 0.437 ' HB3' ' CE2' ' A' 1638 ' ' PHE . 4.1 mm? -96.35 116.8 29.62 Favored 'General case' 0 N--CA 1.424 -1.763 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 174.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1637 ' ' PHE . . . . . 0.422 ' O ' HD12 ' A' 1626 ' ' LEU . 93.9 m-85 -99.52 107.85 20.13 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.336 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1638 ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' 1636 ' ' LEU . 88.1 m-85 -114.5 141.19 48.03 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 25.8 t -128.02 144.0 51.09 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -125.53 136.47 53.37 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -104.95 103.49 13.06 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 6.9 t -139.67 143.99 37.36 Favored Pre-proline 0 C--N 1.313 -0.995 0 CA-C-O 121.398 0.618 . . . . 0.0 111.961 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.31 -1.1 11.27 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 123.242 2.628 . . . . 0.0 111.455 175.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 95.6 mt -75.95 -11.27 59.93 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.372 0.606 . . . . 0.0 110.397 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.88 8.84 43.48 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.683 0.754 . . . . 0.0 109.297 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 58.3 m . . . . . 0 C--N 1.306 -1.299 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.911 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.255 1.391 0 CA-C-O 121.609 0.719 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -150.98 142.22 23.24 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.567 -178.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 58.2 t -116.78 137.33 50.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 18.6 m -134.35 118.57 17.62 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 174.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 15.2 m120 -84.15 111.46 33.63 Favored Pre-proline 0 C--N 1.3 -1.573 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -59.15 -25.84 79.54 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.224 2.616 . . . . 0.0 112.264 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 4.8 p -65.17 -60.93 2.47 Favored 'General case' 0 N--CA 1.424 -1.766 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.473 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 23.2 p -87.58 -42.14 12.93 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 107.39 -4.78 35.23 Favored Glycine 0 N--CA 1.435 -1.37 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.157 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . 0.271 4.6 p-80 -81.0 143.32 32.61 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -176.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 44.5 tp -107.6 136.01 48.08 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 124.965 1.306 . . . . 0.0 111.162 -174.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -115.12 128.79 56.43 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 174.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 8.0 t70 -135.67 136.2 40.73 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 85.9 mt -117.76 23.09 11.93 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 177.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1530 ' ' SER . . . . . 0.459 ' HA ' ' OG ' ' A' 1533 ' ' SER . 29.5 t -63.96 -23.92 67.52 Favored 'General case' 0 C--O 1.248 1.025 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -175.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 36.6 p -77.07 -20.85 55.29 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 120.795 0.331 . . . . 0.0 111.285 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 87.9 mt -105.94 -18.46 14.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.742 0.306 . . . . 0.0 111.174 -177.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1533 ' ' SER . . . . . 0.459 ' OG ' ' HA ' ' A' 1530 ' ' SER . 50.7 p -75.95 119.12 19.48 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.374 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -149.33 154.7 25.92 Favored Glycine 0 N--CA 1.427 -1.907 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1535 ' ' ARG . . . . . 0.57 ' O ' ' HA ' ' A' 1556 ' ' ASN . 27.1 mmt180 -74.34 -25.72 59.7 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.35 0.575 . . . . 0.0 110.114 -175.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -82.82 -34.53 26.9 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.29 0.567 . . . . 0.0 109.986 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1537 ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' 1551 ' ' SER . . . 69.97 -114.15 5.39 Favored Glycine 0 N--CA 1.436 -1.301 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.934 175.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 55.2 t80 -148.12 138.49 22.81 Favored 'General case' 0 N--CA 1.427 -1.624 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 55.4 m -107.47 116.58 32.19 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -112.76 108.8 17.94 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.865 -178.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -93.19 104.59 16.77 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1542 ' ' TYR . . . . . 0.445 ' CZ ' ' HB2' ' A' 1626 ' ' LEU . 97.6 m-85 . . . . . 0 C--N 1.298 -1.635 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.319 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 57.7 t -86.64 121.74 37.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 CA-C-O 121.031 0.443 . . . . 0.0 110.423 -176.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -104.49 104.7 14.6 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 17.0 ptm -127.18 137.4 52.93 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.296 -172.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1551 ' ' SER . . . . . 0.436 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 30.9 t -94.38 150.8 19.93 Favored 'General case' 0 N--CA 1.429 -1.51 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 1.9 mp -105.45 104.53 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.607 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 176.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 35.7 t 67.71 67.02 0.37 Allowed 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.395 1.059 . . . . 0.0 110.074 175.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 151.65 -149.07 20.75 Favored Glycine 0 N--CA 1.424 -2.112 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.738 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.19 151.95 24.73 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 125.197 1.399 . . . . 0.0 110.446 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.57 ' HA ' ' O ' ' A' 1535 ' ' ARG . 3.2 t-20 -100.81 113.2 25.91 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -66.56 -11.0 50.95 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 17.5 m120 -82.94 1.77 37.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.766 0.793 . . . . 0.0 109.382 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 78.9 m -135.21 177.28 2.31 Favored Pre-proline 0 C--N 1.297 -1.677 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -56.53 128.52 30.41 Favored 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 121.444 1.43 . . . . 0.0 110.404 173.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -59.89 99.79 0.13 Allowed 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 122.759 2.306 . . . . 0.0 110.627 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 152.68 -25.8 0.84 Allowed Glycine 0 N--CA 1.425 -2.048 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 -176.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 54.8 t -88.26 137.58 20.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 174.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -101.02 -23.95 9.41 Favored Glycine 0 C--N 1.312 -0.782 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.73 -176.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -151.79 137.57 17.98 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 120.962 0.411 . . . . 0.0 110.528 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 71.9 m -123.77 133.37 53.85 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.837 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 87.7 t80 -97.87 116.85 30.91 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.372 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 80.81 173.29 46.99 Favored Glycine 0 N--CA 1.437 -1.291 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.641 175.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -72.63 -13.52 61.39 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.342 0.591 . . . . 0.0 109.857 177.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 18.8 m -72.07 -16.74 62.03 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 121.929 0.871 . . . . 0.0 109.535 174.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 60.5 40.93 16.42 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 125.208 1.403 . . . . 0.0 112.786 176.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 65.4 mt -72.4 129.97 35.58 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 5.7 p -61.56 110.8 1.58 Allowed 'General case' 0 N--CA 1.434 -1.231 0 CA-C-O 121.517 0.675 . . . . 0.0 111.518 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.457 HG23 ' HB3' ' A' 1606 ' ' TYR . 11.0 p -113.19 17.18 7.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-O 122.537 1.161 . . . . 0.0 108.937 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 167.58 136.1 1.98 Allowed Glycine 0 N--CA 1.426 -1.971 0 CA-C-N 114.492 -1.231 . . . . 0.0 112.704 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 27.3 tptp -86.34 149.16 25.23 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -56.68 120.82 8.45 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -176.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 31.9 t30 -138.23 136.97 37.08 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 20.1 pttm -130.71 15.06 5.38 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 121.728 0.775 . . . . 0.0 109.899 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -90.57 107.99 19.52 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.268 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 41.3 mt -79.78 137.91 37.12 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.993 176.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -122.19 113.23 19.19 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 88.3 t80 -85.5 100.2 11.74 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 28.2 m -135.64 141.11 43.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.351 -177.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 20.9 t70 57.46 37.52 27.84 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 122.244 1.021 . . . . 0.0 110.871 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 64.94 16.8 10.75 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 114.52 -1.218 . . . . 0.0 113.105 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 33.2 m -134.12 163.77 36.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 91.7 mt -96.28 117.23 30.38 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -100.71 124.57 46.5 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.936 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 21.6 mt -114.72 123.04 48.26 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 169.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.7 p -128.43 123.8 60.61 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.273 0 CA-C-O 121.274 0.559 . . . . 0.0 109.973 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -102.86 102.93 13.06 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -98.24 -174.84 2.95 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 60.77 54.94 3.41 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 121.664 0.745 . . . . 0.0 112.522 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -98.45 -148.02 22.96 Favored Glycine 0 N--CA 1.427 -1.916 0 N-CA-C 109.198 -1.561 . . . . 0.0 109.198 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 37.9 t -73.09 134.76 80.46 Favored Pre-proline 0 C--N 1.297 -1.676 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.95 118.02 5.23 Favored 'Trans proline' 0 C--O 1.242 0.696 0 C-N-CA 122.685 2.257 . . . . 0.0 111.444 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 81.8 m . . . . . 0 C--N 1.307 -1.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.511 179.019 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 38.1 t 174.59 134.15 0.04 OUTLIER 'General case' 0 CA--C 1.494 -1.197 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.462 175.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.457 ' HB3' HG23 ' A' 1574 ' ' VAL . 66.0 m-85 -69.06 137.54 53.65 Favored 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 107.235 -1.395 . . . . 0.0 107.235 167.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -149.36 134.75 18.39 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.493 0.663 . . . . 0.0 111.403 -177.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 20.3 m -108.98 126.38 53.05 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.136 -178.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 63.1 t -112.89 113.85 45.28 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1610 ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' 1638 ' ' PHE . 53.7 mt -107.69 123.64 63.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 178.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 19.8 m -116.47 115.61 26.13 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-O 121.211 0.529 . . . . 0.0 110.37 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1612 ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -85.77 113.87 22.28 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 65.7 t -104.44 140.18 23.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 28.7 t -63.88 126.47 27.75 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.736 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -150.16 102.54 3.16 Favored Pre-proline 0 N--CA 1.424 -1.754 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 171.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo . . . . . 0 N--CA 1.486 1.057 0 C-N-CA 124.046 3.164 . . . . 0.0 114.533 -176.156 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 . . . . . 0 N--CA 1.432 -1.334 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.406 ' HD3' ' CZ3' ' A' 1640 ' ' TRP . 80.6 Cg_endo -80.47 141.23 13.94 Favored 'Trans proline' 0 N--CA 1.445 -1.339 0 C-N-CA 121.972 1.781 . . . . 0.0 110.281 174.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1625 ' ' MET . . . . . 0.47 ' O ' ' HA ' ' A' 1638 ' ' PHE . 20.3 ptp -116.62 148.48 40.91 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1626 ' ' LEU . . . . . 0.445 ' HB2' ' CZ ' ' A' 1542 ' ' TYR . 1.7 tt -94.34 108.4 20.31 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 107.551 -1.278 . . . . 0.0 107.551 -175.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.3 mm -86.94 -48.17 15.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.912 -175.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 23.0 t -141.03 145.0 35.31 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.35 105.71 11.57 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -177.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -101.92 113.13 26.07 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.897 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -84.56 -2.63 57.67 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.368 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -84.68 -53.25 5.5 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.215 0.531 . . . . 0.0 109.752 -175.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 23.6 p -105.69 12.07 31.46 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.893 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 65.5 m 53.01 41.33 32.16 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.645 177.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 30.1 m -106.25 120.46 41.9 Favored 'General case' 0 N--CA 1.424 -1.774 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.434 -176.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.6 mp -103.09 127.82 50.21 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 176.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -99.37 116.78 32.33 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.876 -177.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1638 ' ' PHE . . . . . 0.47 ' HA ' ' O ' ' A' 1625 ' ' MET . 91.8 m-85 -118.56 137.28 53.34 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 54.9 p -123.97 139.48 53.92 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1640 ' ' TRP . . . . . 0.406 ' CZ3' ' HD3' ' A' 1624 ' ' PRO . 2.0 t90 -124.21 132.05 53.58 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 177.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 61.5 m80 -99.15 107.86 20.32 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.8 t -140.15 145.14 40.54 Favored Pre-proline 0 C--N 1.306 -1.321 0 CA-C-O 121.264 0.554 . . . . 0.0 110.789 -175.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1643 ' ' PRO . . . . . 0.633 ' HA ' ' SG ' ' A' 1646 ' ' CYS . 74.8 Cg_endo -77.33 -4.92 15.23 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.169 2.579 . . . . 0.0 110.977 175.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 92.5 mt -82.78 -3.32 56.46 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.391 0.615 . . . . 0.0 110.276 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -109.04 14.34 24.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.922 0.868 . . . . 0.0 108.836 175.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1646 ' ' CYS . . . . . 0.633 ' SG ' ' HA ' ' A' 1643 ' ' PRO . 70.9 m . . . . . 0 C--N 1.308 -1.221 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.37 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1516 ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' 1529 ' ' LEU . 5.7 t . . . . . 0 C--O 1.244 0.789 0 CA-C-O 122.631 1.205 . . . . 0.0 108.971 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -158.49 162.0 37.44 Favored 'General case' 0 N--CA 1.423 -1.794 0 CA-C-N 114.006 -1.452 . . . . 0.0 107.638 -175.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 14.8 p -159.67 140.49 4.06 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 5.8 m -106.16 133.39 50.94 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 120.656 0.265 . . . . 0.0 110.454 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 15.3 m120 -92.39 110.76 46.88 Favored Pre-proline 0 C--N 1.311 -1.066 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.18 -15.25 45.79 Favored 'Trans proline' 0 C--O 1.241 0.673 0 C-N-CA 122.672 2.248 . . . . 0.0 113.967 -174.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 7.6 p -79.8 -64.41 1.19 Allowed 'General case' 0 N--CA 1.433 -1.276 0 C-N-CA 123.105 0.562 . . . . 0.0 111.619 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 29.0 p -82.61 -16.71 47.4 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.078 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 79.44 11.96 84.3 Favored Glycine 0 N--CA 1.439 -1.145 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 32.6 m170 -89.44 143.91 26.46 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.481 -0.36 . . . . 0.0 110.036 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.8 tt -120.83 129.05 53.39 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -95.47 122.86 38.64 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 120.631 0.253 . . . . 0.0 110.425 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -112.09 122.38 47.59 Favored 'General case' 0 CA--C 1.484 -1.582 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.16 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1529 ' ' LEU . . . . . 0.456 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 97.6 mt -111.04 20.69 17.21 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 172.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 3.0 p -60.35 -36.19 77.42 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 123.979 0.912 . . . . 0.0 113.022 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 19.4 m -71.56 -16.83 62.32 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.374 0.606 . . . . 0.0 110.82 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 78.1 mt -102.18 -18.08 15.69 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.145 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 43.7 t -64.83 143.88 57.64 Favored 'General case' 0 C--O 1.255 1.386 0 CA-C-O 121.127 0.489 . . . . 0.0 110.515 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . 172.88 147.94 6.07 Favored Glycine 0 N--CA 1.423 -2.185 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1535 ' ' ARG . . . . . 0.507 ' O ' ' HA ' ' A' 1556 ' ' ASN . 72.4 mtp180 -82.04 -30.19 31.57 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 120.939 0.4 . . . . 0.0 110.762 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -75.8 -30.34 59.02 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1537 ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 56.84 -108.8 1.35 Allowed Glycine 0 CA--C 1.493 -1.332 0 CA-C-N 114.079 -1.419 . . . . 0.0 113.73 173.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 52.2 t80 -160.39 157.97 28.73 Favored 'General case' 0 N--CA 1.428 -1.552 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 62.9 m -130.81 115.37 16.52 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.019 0.438 . . . . 0.0 109.917 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -117.22 128.43 55.08 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.351 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -90.88 125.9 35.88 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.164 0.507 . . . . 0.0 111.222 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 84.1 m-85 . . . . . 0 C--N 1.306 -1.306 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.24 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.416 -2.697 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 51.5 t -94.76 107.66 19.73 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.165 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -88.99 104.0 16.57 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1550 ' ' MET . . . . . 0.421 ' O ' ' HA3' ' A' 1537 ' ' GLY . 22.3 ptm -116.72 127.87 54.79 Favored 'General case' 0 C--N 1.282 -2.34 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.914 -173.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1551 ' ' SER . . . . . 0.486 ' OG ' ' HA ' ' A' 1535 ' ' ARG . 42.3 t -96.32 142.81 28.01 Favored 'General case' 0 N--CA 1.417 -2.087 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 174.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 64.9 mt -102.37 107.39 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.341 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 60.1 m 72.94 16.85 4.35 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.084 1.354 . . . . 0.0 113.631 177.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . -154.6 -163.32 11.88 Favored Glycine 0 CA--C 1.497 -1.049 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -178.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1555 ' ' GLU . . . . . 0.596 ' OE1' ' HA ' ' A' 1561 ' ' PRO . 9.3 pt-20 -106.92 134.13 50.53 Favored 'General case' 0 C--O 1.249 1.033 0 CA-C-O 121.172 0.511 . . . . 0.0 111.074 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.507 ' HA ' ' O ' ' A' 1535 ' ' ARG . 26.1 t-20 -72.2 136.63 46.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.055 -174.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -67.91 -16.24 63.98 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.137 0.975 . . . . 0.0 113.371 -175.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 16.2 m120 -107.93 23.64 14.17 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 83.9 m -134.14 152.71 78.82 Favored Pre-proline 0 C--N 1.3 -1.58 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.756 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.01 149.01 21.98 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 123.472 2.781 . . . . 0.0 111.647 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1561 ' ' PRO . . . . . 0.596 ' HA ' ' OE1' ' A' 1555 ' ' GLU . 16.5 Cg_endo -56.4 110.17 0.54 Allowed 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.437 2.758 . . . . 0.0 112.599 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 112.88 -8.59 25.55 Favored Glycine 0 N--CA 1.436 -1.334 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.943 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 89.8 t -88.64 124.72 41.7 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 117.206 0.503 . . . . 0.0 110.376 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -84.75 -31.91 22.86 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.803 -175.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -151.89 142.67 22.89 Favored 'General case' 0 C--N 1.31 -1.123 0 O-C-N 122.508 -0.407 . . . . 0.0 111.06 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 74.2 m -122.16 135.84 54.83 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.228 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 84.5 t80 -98.71 114.66 27.27 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.744 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 86.03 173.56 49.36 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.712 -0.676 . . . . 0.0 113.181 174.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -71.52 -16.86 62.35 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 4.6 m -67.89 -21.15 65.16 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.152 177.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 66.67 34.16 5.95 Favored 'General case' 0 CA--C 1.501 -0.919 0 C-N-CA 125.165 1.386 . . . . 0.0 113.036 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.18 118.13 8.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.953 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 12.1 p -61.98 111.01 1.74 Allowed 'General case' 0 N--CA 1.432 -1.335 0 CA-C-O 121.451 0.644 . . . . 0.0 111.785 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.426 HG23 ' HB3' ' A' 1606 ' ' TYR . 11.6 p -101.35 20.39 2.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-O 122.291 1.043 . . . . 0.0 109.607 -178.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 152.91 149.53 5.17 Favored Glycine 0 N--CA 1.429 -1.816 0 C-N-CA 120.054 -1.07 . . . . 0.0 114.12 175.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 48.6 tptt -77.71 150.76 34.42 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -70.83 112.63 7.17 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 122.938 0.495 . . . . 0.0 110.807 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -121.06 156.52 32.04 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.108 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 22.5 pttp -133.7 7.54 3.81 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 121.29 0.566 . . . . 0.0 109.696 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -80.64 93.19 6.09 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.734 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.416 HD13 ' HB3' ' A' 1588 ' ' LEU . 46.8 tp -84.41 125.04 31.97 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.797 -178.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -107.86 141.78 38.93 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.896 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 40.6 p90 -107.42 104.41 13.98 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 174.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 15.6 m -127.49 106.18 14.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 121.918 -0.489 . . . . 0.0 112.141 -176.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 37.5 t70 58.27 52.15 7.69 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 122.397 1.094 . . . . 0.0 111.12 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 15.3 mp0 67.75 5.87 4.71 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 176.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 7.2 p -116.94 128.98 74.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.416 ' HB3' HD13 ' A' 1581 ' ' LEU . 90.0 mt -82.88 132.14 35.17 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -129.4 131.43 46.8 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 119.846 -0.742 . . . . 0.0 112.202 -174.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 68.7 mt -116.1 124.9 51.54 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 173.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.1 p -120.05 115.92 48.81 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 CA-C-O 122.047 0.927 . . . . 0.0 111.263 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -99.69 102.1 13.48 Favored 'General case' 0 N--CA 1.418 -2.046 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1593 ' ' LYS . . . . . 0.409 ' HG3' ' OD2' ' A' 1594 ' ' ASP . 21.0 pttp -117.13 -172.17 2.17 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 176.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1594 ' ' ASP . . . . . 0.409 ' OD2' ' HG3' ' A' 1593 ' ' LYS . 15.4 m-20 66.85 59.62 0.56 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 122.14 0.971 . . . . 0.0 109.64 -178.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -126.77 -142.45 5.63 Favored Glycine 0 N--CA 1.427 -1.91 0 CA-C-N 114.62 -1.173 . . . . 0.0 110.297 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1596 ' ' SER . . . . . 0.555 ' O ' ' HA ' ' A' 1605 ' ' SER . 23.0 t -60.2 126.33 83.75 Favored Pre-proline 0 C--N 1.31 -1.123 0 C-N-CA 123.291 0.636 . . . . 0.0 109.828 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -72.48 163.19 39.3 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 122.869 2.379 . . . . 0.0 112.496 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 59.0 m . . . . . 0 C--N 1.303 -1.442 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -177.309 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 N--CA 1.429 -1.48 0 CA-C-O 120.217 0.056 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1605 ' ' SER . . . . . 0.555 ' HA ' ' O ' ' A' 1596 ' ' SER . 45.4 t 80.52 124.86 0.04 OUTLIER 'General case' 0 CA--C 1.495 -1.168 0 C-N-CA 124.856 1.262 . . . . 0.0 111.82 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.475 ' HA ' ' O ' ' A' 1634 ' ' CYS . 53.5 m-85 -62.93 130.98 47.14 Favored 'General case' 0 N--CA 1.421 -1.896 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.865 171.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -131.48 139.06 49.25 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.96 -176.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 23.1 t -115.24 113.94 24.56 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 48.1 t -107.09 102.9 14.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 60.2 mt -97.67 121.15 47.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 19.2 m -115.19 119.32 35.97 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.107 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1612 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -94.65 99.9 11.94 Favored 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 39.9 t -84.75 132.64 31.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 CA-C-N 115.423 -0.808 . . . . 0.0 108.876 -176.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 44.7 t -61.41 121.97 13.98 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 114.262 -1.336 . . . . 0.0 110.62 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -135.87 86.62 26.65 Favored Pre-proline 0 C--N 1.308 -1.237 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo . . . . . 0 C--N 1.352 0.715 0 C-N-CA 123.398 2.732 . . . . 0.0 113.681 -174.655 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -80.66 146.98 17.17 Favored 'Trans proline' 0 N--CA 1.449 -1.144 0 C-N-CA 122.241 1.961 . . . . 0.0 109.238 169.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 23.4 ptp -138.65 146.9 42.23 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.9 tt -88.32 118.69 28.11 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.2 mm -100.1 -48.97 11.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.592 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 28.7 t -136.43 141.94 43.62 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1629 ' ' LEU . . . . . 0.41 HD22 ' HG ' ' A' 1636 ' ' LEU . 2.0 tm? -128.81 122.0 29.52 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.734 -177.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -117.99 107.46 14.07 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -66.52 -32.93 74.58 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.093 0.557 . . . . 0.0 110.976 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -68.31 -55.6 11.54 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.1 -0.955 . . . . 0.0 112.196 -173.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 27.5 p -90.93 3.68 53.95 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 121.009 0.433 . . . . 0.0 111.193 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1634 ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' 1606 ' ' TYR . 62.1 m 57.71 32.71 22.27 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.069 0.948 . . . . 0.0 111.193 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 26.7 m -105.64 128.8 53.85 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.795 -175.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1636 ' ' LEU . . . . . 0.41 ' HG ' HD22 ' A' 1629 ' ' LEU . 5.6 mp -111.71 131.11 55.53 Favored 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 177.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -105.96 116.26 31.64 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.29 -178.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -113.64 140.67 48.02 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.969 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 23.5 t -121.34 134.64 55.14 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -122.13 130.81 53.57 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 176.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -106.67 108.0 19.29 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 7.5 t -138.85 146.9 52.05 Favored Pre-proline 0 C--N 1.317 -0.833 0 CA-C-O 121.037 0.446 . . . . 0.0 110.395 -174.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -74.59 -12.29 22.41 Favored 'Trans proline' 0 C--N 1.362 1.263 0 C-N-CA 123.155 2.57 . . . . 0.0 111.489 176.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 97.4 mt -76.69 -9.46 58.69 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.446 0.641 . . . . 0.0 110.494 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.52 12.9 29.87 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.939 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 53.4 m . . . . . 0 C--N 1.31 -1.121 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.302 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1516 ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' 1528 ' ' ASP . 98.6 m . . . . . 0 CA--C 1.505 -0.774 0 CA-C-O 121.204 0.526 . . . . 0.0 112.156 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1517 ' ' GLN . . . . . 0.674 ' HA ' ' O ' ' A' 1527 ' ' PHE . 25.8 pt20 -139.52 128.26 23.28 Favored 'General case' 0 N--CA 1.417 -2.116 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.718 174.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 58.2 t -131.36 121.08 47.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1519 ' ' THR . . . . . 0.459 ' O ' ' HD3' ' A' 1521 ' ' PRO . 18.5 m -94.02 116.24 28.65 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 175.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -93.82 105.47 16.96 Favored Pre-proline 0 C--N 1.302 -1.484 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 175.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1521 ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' 1519 ' ' THR . 33.5 Cg_exo -61.73 -24.74 77.96 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.287 2.658 . . . . 0.0 113.891 -176.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.6 m -70.55 -28.23 64.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.971 0.415 . . . . 0.0 111.193 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 7.6 p -113.85 -26.62 8.09 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 81.9 15.9 73.97 Favored Glycine 0 CA--C 1.502 -0.755 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 24.3 t60 -96.7 118.92 34.2 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 114.946 -0.627 . . . . 0.0 109.627 -176.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 61.0 tp -86.64 110.26 19.73 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.094 176.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.674 ' O ' ' HA ' ' A' 1517 ' ' GLN . 98.0 m-85 -78.66 119.57 22.09 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 178.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1528 ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' A' 1516 ' ' CYS . 1.1 p-10 -131.78 149.51 52.45 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 173.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.1 mt -117.42 28.16 8.64 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-O 120.913 0.387 . . . . 0.0 110.463 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 2.5 m -65.2 -33.56 76.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -175.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 27.4 t -70.09 -17.64 63.23 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.458 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 86.5 mt -112.18 7.57 19.57 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.571 0.701 . . . . 0.0 109.399 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 23.0 t -96.37 119.27 34.55 Favored 'General case' 0 N--CA 1.425 -1.713 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -130.93 139.99 11.4 Favored Glycine 0 C--N 1.297 -1.602 0 N-CA-C 110.504 -1.039 . . . . 0.0 110.504 -178.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -71.46 -29.08 64.44 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -176.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -87.99 -33.73 18.3 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.505 0.669 . . . . 0.0 110.169 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 85.74 -164.78 37.85 Favored Glycine 0 N--CA 1.432 -1.584 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.872 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -121.05 129.8 53.5 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 37.8 m -96.42 109.71 22.21 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 173.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -98.16 106.62 18.94 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.074 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1541 ' ' ALA . . . . . 0.441 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -88.59 104.31 16.72 Favored 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 76.7 m-85 . . . . . 0 C--N 1.286 -2.155 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.957 -179.331 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1547 ' ' GLY . . . . . 0.441 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . . . . . . 0 N--CA 1.433 -1.532 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 58.6 t -86.47 117.07 30.26 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1549 ' ' TYR . . . . . 0.433 ' CE2' ' HA ' ' A' 1569 ' ' GLN . 89.9 m-85 -81.98 110.61 17.39 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 105.529 -2.026 . . . . 0.0 105.529 173.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 19.2 ptm -136.33 133.64 37.08 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 118.946 -1.102 . . . . 0.0 112.433 -177.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1551 ' ' SER . . . . . 0.47 ' HB2' ' HB3' ' A' 1556 ' ' ASN . 41.7 t -108.1 148.79 29.34 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 176.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 1.9 mp -99.14 116.32 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.141 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 83.9 m 73.73 55.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.318 1.011 . . . . 0.0 112.83 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 149.36 -162.15 28.95 Favored Glycine 0 N--CA 1.429 -1.793 0 C-N-CA 120.008 -1.092 . . . . 0.0 111.992 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.85 147.04 25.94 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.47 ' HB3' ' HB2' ' A' 1551 ' ' SER . 8.1 p30 -100.01 132.74 45.18 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -74.51 4.57 5.83 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -97.96 11.33 37.83 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 175.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 55.9 m -140.98 170.72 8.82 Favored Pre-proline 0 N--CA 1.442 -0.85 0 C-N-CA 126.615 1.966 . . . . 0.0 107.323 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -63.06 124.03 13.25 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.844 1.696 . . . . 0.0 110.169 175.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.26 114.08 1.49 Allowed 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 122.921 2.414 . . . . 0.0 110.93 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 136.45 -31.26 2.61 Favored Glycine 0 N--CA 1.432 -1.625 0 N-CA-C 108.858 -1.697 . . . . 0.0 108.858 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 58.5 t -88.65 131.64 35.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -86.1 -41.53 7.04 Favored Glycine 0 C--O 1.245 0.822 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.229 -176.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -143.74 147.24 33.91 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 63.8 m -129.16 135.23 48.58 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.576 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 67.2 t80 -89.22 114.41 25.74 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 89.76 163.75 39.49 Favored Glycine 0 N--CA 1.428 -1.849 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.782 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1569 ' ' GLN . . . . . 0.433 ' HA ' ' CE2' ' A' 1549 ' ' TYR . 28.8 mm-40 -79.82 3.23 20.26 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.105 0.479 . . . . 0.0 110.758 -178.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 4.2 m -87.04 -2.71 58.83 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.774 177.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 65.52 36.16 6.79 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.503 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 87.9 mt -72.6 115.04 12.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 16.5 p -63.08 124.24 20.63 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -175.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1574 ' ' VAL . . . . . . . . . . . . . 13.3 p -118.1 33.23 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-O 123.469 1.604 . . . . 0.0 108.255 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 136.78 142.68 4.47 Favored Glycine 0 N--CA 1.428 -1.896 0 CA-C-N 113.739 -1.573 . . . . 0.0 112.989 175.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.423 ' O ' ' HD1' ' A' 1592 ' ' TYR . 73.3 mmtt -80.88 158.4 25.34 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 175.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -61.49 96.11 0.06 Allowed 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 123.705 0.802 . . . . 0.0 111.236 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.0 135.5 54.59 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 177.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.15 29.92 6.26 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.188 0.518 . . . . 0.0 109.912 -175.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -83.01 91.56 7.19 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.872 -177.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.463 HD23 ' HB3' ' A' 1588 ' ' LEU . 12.6 mt -75.91 127.54 33.2 Favored 'General case' 0 CA--C 1.498 -1.047 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.004 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -119.52 121.61 39.78 Favored 'General case' 0 C--N 1.285 -2.221 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 173.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 42.8 t80 -95.41 99.34 11.26 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 15.6 m -127.0 123.93 63.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.484 -175.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.7 t70 52.9 52.9 12.98 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 124.373 1.069 . . . . 0.0 112.48 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 38.8 tt0 63.35 23.85 13.95 Favored 'General case' 0 CA--C 1.561 1.37 0 CA-C-N 114.094 -1.412 . . . . 0.0 112.429 173.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1587 ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' 1612 ' ' PHE . 2.6 p -140.33 135.65 36.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 O-C-N 121.916 -0.49 . . . . 0.0 110.621 176.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.489 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 64.3 mt -86.74 124.31 32.86 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.291 178.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -108.43 125.68 52.04 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.021 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 15.7 mt -114.31 132.08 56.3 Favored 'General case' 0 CA--C 1.496 -1.121 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 171.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.5 p -130.34 121.52 51.35 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 CA-C-O 121.463 0.649 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1592 ' ' TYR . . . . . 0.423 ' HD1' ' O ' ' A' 1576 ' ' LYS . 94.4 m-85 -93.42 104.67 16.8 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 177.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 67.1 mttm -93.07 158.01 16.0 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.038 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 34.3 t70 68.69 88.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 125.24 1.416 . . . . 0.0 111.489 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1595 ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' 1606 ' ' TYR . . . -120.37 -162.33 11.77 Favored Glycine 0 N--CA 1.423 -2.218 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 178.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 34.4 p -76.1 140.4 69.83 Favored Pre-proline 0 C--N 1.293 -1.876 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.81 138.14 67.13 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 123.295 2.664 . . . . 0.0 111.908 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 75.8 m . . . . . 0 C--N 1.301 -1.542 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.959 -177.15 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 98.4 mt . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 18.4 m -136.75 144.04 43.59 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.464 ' O ' ' HA3' ' A' 1595 ' ' GLY . 93.3 m-85 -67.58 123.73 21.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.562 0.539 . . . . 0.0 110.945 -178.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -133.08 161.97 32.97 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 11.2 p -128.06 137.03 52.0 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 75.6 t -122.36 119.72 59.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 53.2 mt -103.49 122.99 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 34.1 t -103.91 105.38 15.55 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 124.688 1.195 . . . . 0.0 109.611 -177.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.489 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 86.8 m-85 -94.5 103.07 15.04 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 37.0 t -91.24 135.98 25.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.772 -173.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1614 ' ' CYS . . . . . 0.605 ' O ' ' HD2' ' A' 1615 ' ' ARG . 1.5 t -60.47 94.4 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.496 1.119 . . . . 0.0 111.676 176.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1615 ' ' ARG . . . . . 0.605 ' HD2' ' O ' ' A' 1614 ' ' CYS . 16.8 mmm180 -133.21 102.12 13.22 Favored Pre-proline 0 C--N 1.306 -1.293 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 176.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1616 ' ' PRO . . . . . 0.403 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 63.9 Cg_exo . . . . . 0 CA--C 1.543 0.937 0 C-N-CA 123.181 2.587 . . . . 0.0 112.951 177.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 . . . . . 0 N--CA 1.437 -1.118 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -65.38 122.4 10.08 Favored 'Trans proline' 0 C--O 1.243 0.749 0 C-N-CA 122.705 2.27 . . . . 0.0 112.724 -176.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 21.7 ptp -108.78 143.36 38.03 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.6 tt -88.78 119.02 28.89 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.7 mm -98.92 -50.51 10.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 C-N-CA 121.044 -0.262 . . . . 0.0 111.2 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 12.9 m -137.04 126.78 25.5 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.279 -175.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.73 111.05 23.57 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 30.1 t70 -118.57 102.26 8.75 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.901 -0.72 . . . . 0.0 111.684 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 99.1 mttt -84.74 1.07 48.29 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.259 176.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -75.69 -45.3 37.68 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.301 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 60.2 p -105.74 -1.17 24.74 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.502 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1634 ' ' CYS . . . . . 0.419 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 99.9 m 64.01 55.78 1.51 Allowed 'General case' 0 C--O 1.238 0.488 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.308 -176.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 22.1 m -132.58 125.37 30.31 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.883 -175.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -106.07 122.02 45.32 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -97.18 113.07 24.61 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.622 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -109.19 148.14 31.4 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 28.2 t -134.64 156.36 48.87 Favored 'General case' 0 N--CA 1.42 -1.967 0 CA-C-N 118.734 0.697 . . . . 0.0 110.744 -178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -140.14 137.66 34.62 Favored 'General case' 0 N--CA 1.423 -1.795 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1641 ' ' HIS . . . . . 0.473 ' HD1' ' HG3' ' A' 1615 ' ' ARG . 25.4 m-70 -103.91 105.78 16.08 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.4 t -140.72 146.52 44.76 Favored Pre-proline 0 C--N 1.314 -0.951 0 CA-C-O 121.262 0.553 . . . . 0.0 111.778 -175.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1643 ' ' PRO . . . . . 0.403 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 60.4 Cg_endo -75.79 -10.47 19.97 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 123.192 2.594 . . . . 0.0 110.973 173.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 98.0 mt -80.53 -3.86 51.74 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.948 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -113.22 27.11 9.87 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 121.441 0.639 . . . . 0.0 109.889 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.428 -1.535 0 C-N-CA 119.702 -0.799 . . . . 0.0 111.03 -177.781 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 96.5 m . . . . . 0 C--O 1.247 0.929 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -141.19 134.45 29.53 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 174.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 98.6 t -138.26 131.61 41.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 43.1 m -104.05 126.82 51.47 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 175.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 31.7 t30 -96.18 106.39 28.35 Favored Pre-proline 0 C--N 1.312 -1.046 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.24 -27.64 81.39 Favored 'Trans proline' 0 N--CA 1.48 0.694 0 C-N-CA 123.781 2.988 . . . . 0.0 114.353 -175.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 15.9 m -57.17 -53.14 61.41 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 120.84 0.352 . . . . 0.0 111.55 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 5.3 p -103.13 -18.33 14.99 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 121.118 0.485 . . . . 0.0 112.185 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 85.52 14.88 67.26 Favored Glycine 0 N--CA 1.44 -1.039 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -86.71 134.84 33.56 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.98 0.419 . . . . 0.0 110.148 -177.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.5 tt -99.63 129.99 45.82 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -101.76 125.78 48.49 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -120.79 124.96 46.35 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 123.49 0.494 . . . . 0.0 109.674 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 91.4 mt -115.56 4.59 14.22 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.187 0.518 . . . . 0.0 110.312 173.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 22.3 t -72.95 -28.28 62.33 Favored 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -177.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 18.8 m -69.55 -4.92 21.07 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.784 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 94.5 mt -111.52 12.01 21.34 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1533 ' ' SER . . . . . 0.609 ' HA ' ' O ' ' A' 1552 ' ' ILE . 25.9 t -74.88 160.26 30.86 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.067 0.46 . . . . 0.0 110.367 -179.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -175.88 136.56 3.36 Favored Glycine 0 N--CA 1.421 -2.338 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -73.75 -33.47 64.31 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 117.17 0.485 . . . . 0.0 111.083 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -89.74 -24.25 21.58 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 60.32 -113.86 5.88 Favored Glycine 0 CA--C 1.499 -0.967 0 CA-C-N 114.479 -1.237 . . . . 0.0 112.221 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 87.7 t80 -156.96 132.25 9.15 Favored 'General case' 0 N--CA 1.428 -1.569 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 176.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 29.4 m -98.23 107.0 19.36 Favored 'General case' 0 N--CA 1.424 -1.736 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 176.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -83.41 118.48 23.75 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -66.44 131.25 45.64 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.089 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 36.2 t80 . . . . . 0 C--N 1.295 -1.791 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -178.535 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.065 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 51.8 t -98.68 116.26 41.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -83.72 104.76 14.09 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.3 ptm -129.75 136.25 49.42 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 120.256 -0.578 . . . . 0.0 112.042 -176.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 74.9 m -116.83 146.0 43.17 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.701 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1552 ' ' ILE . . . . . 0.609 ' O ' ' HA ' ' A' 1533 ' ' SER . 2.4 mp -97.58 123.03 49.77 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 75.1 m 62.51 67.39 0.72 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 123.772 0.67 . . . . 0.0 112.366 177.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.23 -170.08 26.71 Favored Glycine 0 N--CA 1.429 -1.8 0 C-N-CA 120.245 -0.979 . . . . 0.0 111.653 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.79 156.61 16.77 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -96.7 141.74 29.57 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -89.67 4.46 49.44 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-O 121.747 0.784 . . . . 0.0 111.673 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 14.5 m120 -76.98 -20.59 55.9 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 175.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1559 ' ' CYS . . . . . 0.433 ' HB3' ' HD2' ' A' 1560 ' ' PRO . 74.1 m -132.07 174.36 4.8 Favored Pre-proline 0 N--CA 1.429 -1.517 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.377 -176.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1560 ' ' PRO . . . . . 0.433 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 39.1 Cg_exo -48.83 137.63 27.32 Favored 'Trans proline' 0 C--N 1.366 1.448 0 C-N-CA 122.968 2.446 . . . . 0.0 112.549 174.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -57.13 107.49 0.29 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.01 2.473 . . . . 0.0 111.448 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 140.75 -21.36 2.69 Favored Glycine 0 N--CA 1.436 -1.33 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 42.6 t -87.11 136.76 22.27 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 176.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -99.56 -23.89 10.61 Favored Glycine 0 C--N 1.315 -0.604 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.619 -177.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -155.03 140.48 17.79 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 120.699 0.285 . . . . 0.0 110.36 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 67.2 m -125.68 133.67 52.09 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.378 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 60.7 t80 -96.44 119.86 35.69 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.505 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 79.91 176.93 50.08 Favored Glycine 0 N--CA 1.434 -1.48 0 CA-C-N 115.472 -0.785 . . . . 0.0 114.195 171.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -76.55 -14.77 59.99 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 14.7 m -71.65 -12.54 61.39 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.894 175.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 61.0 35.89 18.8 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 124.74 1.216 . . . . 0.0 112.129 172.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 76.1 mt -71.4 130.72 35.08 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.293 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 5.0 p -70.29 110.68 5.39 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-O 121.736 0.779 . . . . 0.0 110.635 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1574 ' ' VAL . . . . . . . . . . . . . 7.8 p -107.66 17.59 6.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.106 0 CA-C-O 122.373 1.083 . . . . 0.0 109.599 -176.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 168.35 138.27 2.43 Favored Glycine 0 N--CA 1.428 -1.864 0 CA-C-N 114.858 -1.065 . . . . 0.0 112.892 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 27.9 tptp -85.55 140.82 30.32 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -59.01 129.79 43.87 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 123.869 0.73 . . . . 0.0 110.146 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 36.4 t30 -152.02 147.84 27.0 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -174.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 61.1 mttp -126.86 22.09 6.83 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.204 0.526 . . . . 0.0 109.788 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -75.04 97.32 3.38 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 1.4 tt -84.88 119.6 25.52 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -105.22 124.29 49.28 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1583 ' ' TYR . . . . . 0.477 ' CE1' ' HA ' ' A' 1586 ' ' GLN . 58.7 t80 -94.5 105.86 17.83 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 175.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 4.4 p -131.42 113.33 23.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-O 121.482 0.658 . . . . 0.0 112.082 -175.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 35.8 t70 57.3 47.0 17.55 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.626 1.17 . . . . 0.0 110.378 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1586 ' ' GLN . . . . . 0.477 ' HA ' ' CE1' ' A' 1583 ' ' TYR . 50.2 mt-30 69.05 -1.23 2.16 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 114.341 -1.3 . . . . 0.0 113.803 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 47.8 t -107.26 141.24 22.97 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 -178.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.485 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 85.0 mt -90.48 142.59 27.59 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -134.25 128.38 33.75 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.108 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 58.3 mt -116.97 127.33 54.09 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 171.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 9.7 p -124.24 133.77 68.43 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.206 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.594 -176.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -111.43 94.87 5.19 Favored 'General case' 0 N--CA 1.425 -1.724 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 97.2 mttt -95.27 -167.84 1.69 Allowed 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 61.34 38.91 15.93 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -87.51 -163.03 38.55 Favored Glycine 0 N--CA 1.434 -1.451 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.757 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 8.0 t -63.1 145.01 97.14 Favored Pre-proline 0 CA--C 1.562 1.436 0 C-N-CA 124.147 0.979 . . . . 0.0 110.317 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -70.67 127.54 14.0 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.931 2.421 . . . . 0.0 112.229 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 57.6 m . . . . . 0 C--N 1.306 -1.289 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.85 -177.327 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.424 -1.769 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 57.6 m -159.52 121.77 3.43 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.507 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.563 ' CD2' ' HB3' ' A' 1634 ' ' CYS . 47.0 m-85 -68.19 132.96 48.09 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 170.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1607 ' ' LYS . . . . . 0.554 ' O ' ' HA ' ' A' 1635 ' ' THR . 8.8 ptmm? -146.61 129.62 16.41 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.449 -176.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 23.1 m -108.61 132.31 54.0 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.079 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 80.9 t -114.22 116.9 53.96 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 51.5 mt -104.31 115.99 47.26 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 23.0 t -101.88 115.34 30.33 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.485 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 92.1 m-85 -93.93 107.01 18.96 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -178.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 50.3 t -94.28 143.08 12.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.689 -175.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1614 ' ' CYS . . . . . 0.428 ' SG ' ' HD3' ' A' 1616 ' ' PRO . 5.8 t -58.12 116.94 3.86 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 124.578 1.151 . . . . 0.0 112.125 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -140.29 78.97 22.05 Favored Pre-proline 0 C--N 1.314 -0.945 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 176.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1616 ' ' PRO . . . . . 0.428 ' HD3' ' SG ' ' A' 1614 ' ' CYS . 29.5 Cg_exo . . . . . 0 N--CA 1.475 0.44 0 C-N-CA 123.188 2.592 . . . . 0.0 113.158 -176.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 . . . . . 0 C--O 1.238 0.485 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -76.29 122.72 6.74 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.456 2.104 . . . . 0.0 112.77 -177.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 92.8 mtp -104.05 135.04 46.3 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 177.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.6 tt -88.2 117.48 27.13 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 51.1 mm -93.73 -54.67 6.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.381 -176.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.3 m -137.34 132.21 33.27 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.33 95.69 5.84 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 178.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 13.6 t70 -91.41 107.18 19.02 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.018 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 67.4 mttm -84.55 1.03 47.74 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.473 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -91.34 -45.54 8.53 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.751 -174.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 28.0 p -113.83 10.28 17.74 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.5 0.666 . . . . 0.0 110.522 177.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1634 ' ' CYS . . . . . 0.563 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 61.6 m 57.61 48.08 14.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.454 -1.248 . . . . 0.0 112.246 175.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1635 ' ' THR . . . . . 0.554 ' HA ' ' O ' ' A' 1607 ' ' LYS . 74.4 m -114.55 123.33 49.1 Favored 'General case' 0 N--CA 1.423 -1.825 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.1 mp -106.0 125.41 50.96 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -99.36 115.38 29.07 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.27 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -111.85 134.73 53.22 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 177.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 30.7 t -109.26 128.12 54.82 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -118.03 135.5 54.14 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 44.4 m170 -105.34 110.01 22.21 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 6.6 t -140.36 143.94 35.16 Favored Pre-proline 0 CA--C 1.545 0.759 0 CA-C-O 121.304 0.573 . . . . 0.0 111.051 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -75.0 -10.04 21.04 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 123.414 2.743 . . . . 0.0 111.319 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 95.2 mt -80.31 -14.05 58.69 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.471 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -101.92 16.31 26.36 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.416 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 15.0 t . . . . . 0 N--CA 1.422 -1.872 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.554 -176.285 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1516 ' ' CYS . . . . . 0.431 ' HA ' ' HB2' ' A' 1581 ' ' LEU . 79.5 m . . . . . 0 C--O 1.241 0.653 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -139.89 129.54 24.43 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 174.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 60.8 t -120.41 128.1 75.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1519 ' ' THR . . . . . 0.447 ' O ' ' HD3' ' A' 1521 ' ' PRO . 7.4 m -102.36 121.37 42.17 Favored 'General case' 0 C--N 1.282 -2.328 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 177.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 44.7 t30 -97.22 104.98 21.7 Favored Pre-proline 0 C--N 1.31 -1.144 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 175.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1521 ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' A' 1519 ' ' THR . 34.8 Cg_exo -61.69 -16.72 50.37 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.689 2.926 . . . . 0.0 114.017 -175.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 15.5 m -67.49 -44.13 79.27 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.714 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 18.7 p -112.28 -5.82 14.13 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.314 0.578 . . . . 0.0 112.12 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 71.21 22.91 78.54 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.895 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 31.5 m170 -94.87 131.24 40.98 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 120.96 0.409 . . . . 0.0 111.871 -176.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 58.5 tp -97.42 108.87 21.68 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -92.95 112.93 25.06 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -126.49 160.24 31.13 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 92.9 mt -120.34 28.57 7.95 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 10.6 m -61.51 -38.99 89.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.766 0.317 . . . . 0.0 111.509 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 14.6 m -61.81 -22.59 65.6 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 122.966 0.507 . . . . 0.0 112.257 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 4.4 pp -120.28 16.51 12.28 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.34 0.591 . . . . 0.0 111.823 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 30.8 t -90.08 120.35 31.19 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -140.53 127.27 3.41 Favored Glycine 0 N--CA 1.421 -2.356 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1535 ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' 1556 ' ' ASN . 10.2 ptp180 -83.2 -17.9 41.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.133 0.492 . . . . 0.0 111.479 -178.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -72.66 -33.14 66.36 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 175.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 88.45 -165.87 34.24 Favored Glycine 0 N--CA 1.411 -3.002 0 CA-C-N 113.926 -1.488 . . . . 0.0 112.732 174.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -133.1 135.25 45.15 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1539 ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' 1548 ' ' VAL . 18.0 m -105.79 107.61 18.69 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -83.47 129.76 34.99 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -75.98 111.95 11.89 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.578 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 57.6 t80 . . . . . 0 C--N 1.296 -1.737 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.655 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.416 -2.665 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1548 ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' 1539 ' ' THR . 7.7 p -83.13 113.63 22.6 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.314 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -91.95 104.7 17.08 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 17.0 ptm -119.46 119.86 35.14 Favored 'General case' 0 C--N 1.279 -2.458 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.339 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 48.4 t -88.8 147.26 24.52 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.84 98.97 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.696 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 22.8 t 68.07 59.36 0.44 Allowed 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.934 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 169.29 173.71 37.13 Favored Glycine 0 N--CA 1.432 -1.597 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -81.29 135.99 35.75 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 178.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' 1535 ' ' ARG . 21.2 t-20 -78.85 129.49 34.63 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 120.689 0.281 . . . . 0.0 110.966 -175.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -65.81 -15.66 63.09 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 7.2 t30 -93.32 -11.48 32.31 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 122.048 0.927 . . . . 0.0 108.712 177.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 70.8 m -103.64 155.87 36.32 Favored Pre-proline 0 C--N 1.299 -1.602 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.132 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -61.09 125.73 17.76 Favored 'Trans proline' 0 C--O 1.248 1.009 0 C-N-CA 122.475 2.116 . . . . 0.0 109.778 173.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -39.22 114.17 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 124.954 3.769 . . . . 0.0 113.395 -177.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 127.83 -27.91 4.52 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 -177.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 61.9 t -88.64 141.01 14.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -105.21 -25.84 6.54 Favored Glycine 0 N--CA 1.441 -0.978 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.594 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -144.95 134.04 22.68 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 120.803 0.335 . . . . 0.0 110.735 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 79.7 m -129.21 133.89 47.75 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.85 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 50.0 t80 -95.5 114.08 25.81 Favored 'General case' 0 N--CA 1.42 -1.939 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 82.9 169.61 44.71 Favored Glycine 0 N--CA 1.44 -1.099 0 CA-C-N 115.72 -0.673 . . . . 0.0 113.537 175.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -70.57 -15.52 62.77 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.598 0.713 . . . . 0.0 109.307 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 14.4 m -65.66 -16.14 63.46 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 114.616 -1.175 . . . . 0.0 109.785 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 62.6 36.73 13.51 Favored 'General case' 0 CA--C 1.505 -0.77 0 C-N-CA 125.378 1.471 . . . . 0.0 112.155 176.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.76 114.0 5.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 11.1 p -64.52 117.77 7.83 Favored 'General case' 0 N--CA 1.428 -1.533 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.525 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1574 ' ' VAL . . . . . . . . . . . . . 11.2 p -120.32 36.37 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 CA-C-O 123.371 1.558 . . . . 0.0 108.536 -179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1575 ' ' GLY . . . . . 0.43 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 148.44 132.43 2.16 Favored Glycine 0 N--CA 1.416 -2.65 0 CA-C-N 114.054 -1.43 . . . . 0.0 113.366 177.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 48.0 tptt -75.29 157.57 34.17 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 174.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -67.38 79.27 0.16 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.44 0.638 . . . . 0.0 111.649 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.5 148.6 23.33 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.222 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1579 ' ' LYS . . . . . 0.42 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 17.7 pttp -146.01 33.35 1.01 Allowed 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 122.39 1.09 . . . . 0.0 109.907 -178.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -94.86 94.67 8.19 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 114.006 -1.452 . . . . 0.0 109.235 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.463 HD13 ' HB3' ' A' 1588 ' ' LEU . 33.0 tp -81.57 130.0 34.89 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.351 -175.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1582 ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' 1588 ' ' LEU . 97.3 mtt180 -112.36 141.17 46.41 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 68.9 t80 -111.85 99.86 8.46 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 174.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 12.9 m -131.67 119.19 41.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.679 -174.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 19.7 m-20 61.37 39.4 15.32 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.576 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 58.84 37.61 24.8 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.693 -1.139 . . . . 0.0 111.445 -176.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 63.2 t -135.3 134.29 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 175.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.474 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 93.2 mt -89.51 132.47 35.04 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 175.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -124.9 130.65 52.79 Favored 'General case' 0 C--N 1.283 -2.319 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.468 -175.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 61.4 mt -119.64 123.2 43.27 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 172.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 65.9 t -112.05 114.11 46.11 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1592 ' ' TYR . . . . . 0.43 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 76.8 m-85 -94.04 89.54 6.08 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 25.5 pttm -99.89 169.39 9.25 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.536 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 38.0 t70 68.44 92.89 0.08 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.925 1.29 . . . . 0.0 112.489 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -135.57 -129.38 2.85 Favored Glycine 0 N--CA 1.422 -2.259 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 28.8 m -83.02 143.67 46.22 Favored Pre-proline 0 C--N 1.287 -2.123 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.8 143.01 44.69 Favored 'Trans proline' 0 C--O 1.241 0.658 0 C-N-CA 122.522 2.148 . . . . 0.0 111.222 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 59.1 m . . . . . 0 C--N 1.309 -1.185 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.172 -178.272 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--O 1.239 0.548 0 CA-C-O 121.189 0.519 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 11.3 t -144.88 147.41 32.75 Favored 'General case' 0 N--CA 1.416 -2.138 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1606 ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -66.25 120.32 13.04 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 123.933 0.77 . . . . 0.0 110.036 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -135.02 158.65 43.81 Favored 'General case' 0 C--O 1.25 1.103 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.551 -176.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 33.7 t -125.4 135.34 52.29 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.84 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 86.6 t -115.59 116.02 51.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 54.2 mt -104.57 118.49 51.94 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 10.9 t -105.29 108.91 20.67 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.474 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 84.3 m-85 -89.52 99.93 12.83 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 123.274 0.63 . . . . 0.0 109.339 -179.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1613 ' ' VAL . . . . . 0.497 ' HB ' ' CD2' ' A' 1641 ' ' HIS . 47.1 t -92.86 135.69 27.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.196 -177.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1614 ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' A' 1642 ' ' THR . 24.3 m -66.34 115.29 6.12 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 123.722 0.809 . . . . 0.0 110.16 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -148.76 117.59 3.97 Favored Pre-proline 0 C--N 1.309 -1.185 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo . . . . . 0 N--CA 1.485 1.006 0 C-N-CA 123.323 2.682 . . . . 0.0 113.088 177.784 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 . . . . . 0 N--CA 1.431 -1.403 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -73.59 122.05 7.55 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 121.413 1.409 . . . . 0.0 109.701 175.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 14.1 tpt -111.66 131.66 55.13 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.9 tt -78.11 117.34 19.31 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 -178.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.9 mm -96.8 -47.36 12.76 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.317 -175.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 21.1 m -137.91 126.81 24.01 Favored 'General case' 0 C--N 1.31 -1.151 0 O-C-N 122.105 -0.372 . . . . 0.0 110.076 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.25 109.59 21.47 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.7 t70 -117.71 107.86 14.7 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.154 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -84.29 -17.64 38.97 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -67.99 -50.59 54.74 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.97 0.414 . . . . 0.0 110.957 -176.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 42.3 p -99.5 4.36 45.97 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.424 0.631 . . . . 0.0 110.51 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 55.9 m 57.4 43.86 22.5 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.112 1.365 . . . . 0.0 111.481 176.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 28.3 m -120.37 116.15 24.93 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-O 121.062 0.458 . . . . 0.0 110.151 -176.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.8 mp -97.69 118.86 35.17 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -94.56 119.84 33.86 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.797 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -119.41 142.38 48.26 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 29.0 t -117.43 142.3 47.3 Favored 'General case' 0 N--CA 1.408 -2.533 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1640 ' ' TRP . . . . . 0.457 ' O ' ' HA ' ' A' 1612 ' ' PHE . 4.8 t-105 -125.86 135.88 52.45 Favored 'General case' 0 N--CA 1.415 -2.18 0 N-CA-C 105.315 -2.105 . . . . 0.0 105.315 176.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1641 ' ' HIS . . . . . 0.497 ' CD2' ' HB ' ' A' 1613 ' ' VAL . 68.7 m80 -109.26 109.06 19.88 Favored 'General case' 0 C--N 1.279 -2.496 0 CA-C-O 121.236 0.541 . . . . 0.0 111.097 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1642 ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' 1614 ' ' CYS . 8.8 t -130.59 143.87 51.05 Favored Pre-proline 0 N--CA 1.426 -1.659 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.593 -175.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -83.87 0.78 9.18 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.713 2.275 . . . . 0.0 111.117 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.6 mt -91.97 -5.66 52.65 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.365 -178.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -79.57 -17.43 53.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.355 0.598 . . . . 0.0 111.536 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 60.4 m . . . . . 0 C--N 1.302 -1.475 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.123 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.257 1.448 0 CA-C-O 122.32 1.057 . . . . 0.0 108.617 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1517 ' ' GLN . . . . . 0.418 ' HB3' HD13 ' A' 1526 ' ' LEU . 73.6 mt-30 -136.78 143.38 43.19 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 114.24 -1.345 . . . . 0.0 109.737 -176.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 59.1 t -128.93 117.76 45.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.925 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 23.9 m -94.71 112.47 24.21 Favored 'General case' 0 N--CA 1.425 -1.722 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 174.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -95.69 118.61 65.94 Favored Pre-proline 0 C--N 1.295 -1.777 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -66.97 -18.22 51.92 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.158 2.572 . . . . 0.0 114.352 -174.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 19.6 m -78.56 -44.74 23.44 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.196 0.522 . . . . 0.0 110.476 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 25.1 p -83.24 -39.49 20.84 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-O 121.876 0.846 . . . . 0.0 110.312 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 87.91 10.11 69.98 Favored Glycine 0 N--CA 1.432 -1.608 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.505 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -106.65 140.21 39.87 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-O 121.181 0.515 . . . . 0.0 110.67 -174.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1526 ' ' LEU . . . . . 0.418 HD13 ' HB3' ' A' 1517 ' ' GLN . 51.8 tp -89.33 110.94 21.67 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 114.699 -1.137 . . . . 0.0 108.497 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -88.56 129.17 35.54 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.4 t70 -128.78 132.5 47.88 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 123.592 0.558 . . . . 0.0 112.094 -173.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 82.2 mt -121.1 21.51 11.24 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.723 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 63.8 p -64.4 -32.26 73.81 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 17.2 m -70.23 -15.4 62.91 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.119 0.485 . . . . 0.0 110.966 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 94.2 mt -101.2 -19.43 15.72 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.529 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1533 ' ' SER . . . . . 0.53 ' HA ' ' O ' ' A' 1552 ' ' ILE . 23.3 t -66.95 143.12 57.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.124 -178.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1534 ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' 1551 ' ' SER . . . -169.5 146.79 10.39 Favored Glycine 0 N--CA 1.435 -1.392 0 N-CA-C 110.064 -1.215 . . . . 0.0 110.064 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -84.69 -33.63 23.14 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -77.0 -34.71 57.49 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.632 0.729 . . . . 0.0 110.143 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 76.11 -146.95 34.07 Favored Glycine 0 N--CA 1.436 -1.361 0 CA-C-N 114.64 -1.164 . . . . 0.0 113.897 173.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -132.87 136.01 45.95 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 90.3 m -110.02 118.75 37.26 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -118.87 118.68 32.2 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -94.16 115.9 28.24 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.444 -178.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 47.5 m-85 . . . . . 0 C--N 1.304 -1.391 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.562 176.579 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.91 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 11.8 p -95.5 122.0 46.58 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 CA-C-O 121.452 0.644 . . . . 0.0 109.515 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -104.61 104.38 14.19 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.6 ptm -134.35 133.29 40.48 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 121.105 0.479 . . . . 0.0 112.092 -172.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1551 ' ' SER . . . . . 0.45 ' HB3' ' O ' ' A' 1534 ' ' GLY . 72.9 m -111.52 154.85 24.16 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 176.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1552 ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' A' 1533 ' ' SER . 50.0 mm -100.07 114.78 39.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.138 -176.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1553 ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' 1579 ' ' LYS . 25.9 t 66.28 61.46 0.59 Allowed 'General case' 0 C--O 1.251 1.158 0 O-C-N 124.257 0.973 . . . . 0.0 110.958 171.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 159.85 -161.32 32.26 Favored Glycine 0 N--CA 1.434 -1.487 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.689 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.68 150.33 22.86 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 122.517 0.327 . . . . 0.0 110.695 178.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.435 ' HB2' HD21 ' A' 1558 ' ' ASN . 9.3 p30 -103.26 147.43 27.06 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.49 -177.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -91.12 4.64 51.67 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.194 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1558 ' ' ASN . . . . . 0.435 HD21 ' HB2' ' A' 1556 ' ' ASN . 25.2 m-80 -85.04 -7.87 58.94 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 122.072 0.939 . . . . 0.0 108.533 -178.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 78.3 m -145.22 174.82 3.13 Favored Pre-proline 0 C--N 1.293 -1.89 0 N-CA-C 104.706 -2.331 . . . . 0.0 104.706 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -59.9 125.93 19.02 Favored 'Trans proline' 0 C--O 1.251 1.163 0 C-N-CA 121.288 1.326 . . . . 0.0 110.951 174.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -51.96 115.61 2.25 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 123.159 2.573 . . . . 0.0 111.033 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 148.83 -33.25 1.17 Allowed Glycine 0 C--N 1.295 -1.742 0 N-CA-C 107.126 -2.39 . . . . 0.0 107.126 -176.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 44.0 t -84.89 137.09 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 173.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -89.24 -40.74 6.02 Favored Glycine 0 N--CA 1.44 -1.077 0 N-CA-C 111.71 -0.556 . . . . 0.0 111.71 -177.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -150.14 143.83 25.3 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.732 0.301 . . . . 0.0 110.314 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 83.3 m -122.19 133.66 54.72 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 68.9 t80 -114.63 127.2 55.65 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -178.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 103.81 153.92 23.54 Favored Glycine 0 N--CA 1.429 -1.821 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.739 175.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -60.57 -26.55 67.01 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 123.544 0.738 . . . . 0.0 111.474 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.6 m -85.46 -2.16 57.83 Favored 'General case' 0 CA--C 1.56 1.365 0 CA-C-O 121.815 0.817 . . . . 0.0 111.11 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 63.81 57.92 1.31 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.229 1.411 . . . . 0.0 112.393 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 68.4 mt -74.23 121.07 24.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 33.1 p -64.74 118.49 9.02 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-O 121.182 0.515 . . . . 0.0 110.86 -178.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1574 ' ' VAL . . . . . . . . . . . . . 13.3 p -113.64 29.33 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.253 0 CA-C-O 122.785 1.279 . . . . 0.0 109.657 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 144.94 150.84 5.3 Favored Glycine 0 N--CA 1.419 -2.484 0 CA-C-N 114.771 -1.104 . . . . 0.0 113.58 173.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -83.89 159.56 21.3 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 124.273 1.029 . . . . 0.0 108.758 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -61.32 89.63 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 124.106 0.962 . . . . 0.0 111.854 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.46 131.83 53.18 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1579 ' ' LYS . . . . . 0.436 ' HB2' ' SG ' ' A' 1553 ' ' CYS . 52.9 pttt -132.2 32.96 3.92 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-O 122.496 1.141 . . . . 0.0 110.628 176.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -90.46 92.71 8.99 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 173.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 1.5 tt -74.74 127.44 33.14 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 114.533 -1.212 . . . . 0.0 108.183 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -108.15 140.78 40.87 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.473 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 62.6 t80 -117.47 99.74 7.19 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 173.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 16.5 m -133.24 130.75 57.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.631 -175.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 22.2 m-20 56.84 36.32 27.55 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.644 0.778 . . . . 0.0 111.474 -177.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 62.39 29.09 17.16 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-N 114.732 -1.122 . . . . 0.0 112.084 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 79.6 t -127.05 139.65 51.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 177.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.464 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 95.9 mt -90.5 130.55 36.54 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 175.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -126.62 135.4 51.16 Favored 'General case' 0 C--N 1.288 -2.078 0 CA-C-O 120.963 0.411 . . . . 0.0 111.423 -175.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 82.5 mt -121.15 123.59 42.65 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 171.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 5.7 p -124.0 118.65 54.59 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.935 0 CA-C-O 121.2 0.524 . . . . 0.0 110.938 -177.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1592 ' ' TYR . . . . . 0.419 ' HB2' ' OG ' ' A' 1608 ' ' SER . 81.4 m-85 -96.64 107.73 20.22 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 176.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.47 170.85 8.01 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.66 -177.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 38.7 t70 70.21 45.9 0.64 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.739 1.216 . . . . 0.0 110.985 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -87.77 -138.3 5.83 Favored Glycine 0 N--CA 1.434 -1.441 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 70.5 m -69.58 133.15 88.93 Favored Pre-proline 0 C--N 1.304 -1.403 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -64.15 140.15 70.09 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.845 2.363 . . . . 0.0 111.375 178.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 60.9 m . . . . . 0 C--N 1.303 -1.448 0 C-N-CA 122.965 0.506 . . . . 0.0 111.005 -178.554 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 70.5 mt . . . . . 0 C--O 1.243 0.743 0 CA-C-O 121.393 0.616 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 37.5 m -129.59 149.9 51.15 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 175.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.431 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 98.1 m-85 -66.12 126.41 28.56 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 123.276 0.36 . . . . 0.0 110.957 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -122.5 147.98 45.71 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.426 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1608 ' ' SER . . . . . 0.419 ' OG ' ' HB2' ' A' 1592 ' ' TYR . 5.5 p -111.69 120.02 40.62 Favored 'General case' 0 C--N 1.284 -2.253 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.525 177.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 88.5 t -108.76 113.88 45.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.395 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 61.7 mt -98.85 114.72 37.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 12.1 t -107.15 113.89 27.61 Favored 'General case' 0 N--CA 1.416 -2.147 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.464 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 93.9 m-85 -90.42 99.11 12.19 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1613 ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' 1641 ' ' HIS . 21.6 t -87.04 136.39 23.09 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1614 ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' A' 1642 ' ' THR . 45.3 t -75.78 122.16 23.64 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.397 0.617 . . . . 0.0 112.574 -174.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -131.58 91.71 33.42 Favored Pre-proline 0 C--N 1.301 -1.532 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 173.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo . . . . . 0 N--CA 1.482 0.831 0 C-N-CA 123.577 2.851 . . . . 0.0 113.303 -177.045 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 . . . . . 0 N--CA 1.418 -2.036 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.45 ' HD3' ' CZ3' ' A' 1640 ' ' TRP . 46.1 Cg_endo -68.66 123.11 10.11 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 122.376 2.051 . . . . 0.0 112.538 -176.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 51.3 tpp -131.56 133.8 45.42 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.47 116.72 17.42 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 43.9 mm -107.46 -37.21 3.56 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -175.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 17.0 m -137.86 133.34 33.77 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.212 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.73 115.67 26.06 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -178.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.2 t70 -121.43 106.41 11.4 Favored 'General case' 0 C--N 1.31 -1.129 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.624 177.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -73.35 -32.03 64.29 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -65.66 -49.69 67.7 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -176.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 32.2 p -90.35 3.66 53.07 Favored 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 119.753 -0.779 . . . . 0.0 111.249 178.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1634 ' ' CYS . . . . . 0.431 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 63.6 m 56.96 47.56 17.45 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.24 177.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 23.8 m -125.19 126.57 45.43 Favored 'General case' 0 N--CA 1.424 -1.726 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.566 -175.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.38 119.95 40.81 Favored 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 173.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -94.43 115.65 27.88 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.241 -175.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -109.29 129.6 55.51 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 48.0 m -108.52 134.96 50.57 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-O 120.798 0.332 . . . . 0.0 110.159 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1640 ' ' TRP . . . . . 0.45 ' CZ3' ' HD3' ' A' 1624 ' ' PRO . 2.8 t-105 -129.7 134.02 47.4 Favored 'General case' 0 N--CA 1.427 -1.591 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 175.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1641 ' ' HIS . . . . . 0.452 ' HA ' ' O ' ' A' 1613 ' ' VAL . 18.2 m-70 -111.96 113.16 25.31 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1642 ' ' THR . . . . . 0.54 ' O ' ' HA ' ' A' 1614 ' ' CYS . 11.8 t -138.16 147.15 54.79 Favored Pre-proline 0 C--N 1.305 -1.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.831 -175.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.82 -13.64 32.15 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.955 2.436 . . . . 0.0 111.747 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.37 -13.88 62.6 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.638 0.775 . . . . 0.0 112.641 -176.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -81.88 -7.28 59.59 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.384 0.611 . . . . 0.0 110.587 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 88.2 m . . . . . 0 C--N 1.309 -1.163 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.19 177.559 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.25 1.11 0 CA-C-O 121.563 0.697 . . . . 0.0 109.906 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1517 ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' A' 1527 ' ' PHE . 19.2 pt20 -158.57 130.47 6.69 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.943 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 52.4 t -112.93 147.79 16.35 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 32.8 m -136.64 123.29 21.05 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -98.01 105.79 30.27 Favored Pre-proline 0 C--N 1.309 -1.193 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.69 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -65.79 -17.94 57.17 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.933 2.422 . . . . 0.0 113.655 -175.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 13.3 m -74.62 -27.59 60.52 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 120.737 0.303 . . . . 0.0 111.456 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 23.5 p -121.69 -23.34 5.57 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 89.54 13.71 60.96 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.459 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 35.8 m80 -85.94 130.38 34.56 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 120.489 0.185 . . . . 0.0 110.622 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.9 tt -113.56 132.27 55.78 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' A' 1517 ' ' GLN . 83.9 m-85 -123.95 106.54 10.5 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -178.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -121.05 151.65 39.56 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 80.5 mt -117.89 29.29 7.9 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 123.645 0.591 . . . . 0.0 111.185 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1530 ' ' SER . . . . . 0.511 ' HA ' ' OG ' ' A' 1533 ' ' SER . 23.0 t -63.1 -25.79 68.53 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -176.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 42.3 t -72.34 -19.62 61.61 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.469 0.652 . . . . 0.0 110.033 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 82.6 mt -111.48 1.28 16.85 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1533 ' ' SER . . . . . 0.511 ' OG ' ' HA ' ' A' 1530 ' ' SER . 28.2 m -72.39 107.72 5.12 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -154.57 132.45 3.5 Favored Glycine 0 N--CA 1.423 -2.213 0 C-N-CA 120.22 -0.99 . . . . 0.0 111.998 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1535 ' ' ARG . . . . . 0.482 ' O ' ' HA ' ' A' 1556 ' ' ASN . 94.8 mtt180 -77.93 -22.34 49.75 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -82.73 -25.32 32.99 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 176.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1537 ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 58.45 -121.26 25.71 Favored Glycine 0 CA--C 1.5 -0.894 0 CA-C-N 114.465 -1.243 . . . . 0.0 114.723 172.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 68.4 t80 -153.32 149.63 28.07 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 28.1 m -119.61 122.48 41.66 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -120.33 140.95 50.52 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 120.809 0.338 . . . . 0.0 110.523 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -110.4 121.84 46.27 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 C--N 1.306 -1.313 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -179.137 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.416 -2.697 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 12.1 p -112.46 120.46 62.71 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 173.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -98.86 104.3 16.33 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1550 ' ' MET . . . . . 0.418 ' O ' ' HA3' ' A' 1537 ' ' GLY . 24.4 ptm -119.91 134.41 55.25 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.671 -173.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 39.2 t -100.8 143.51 30.87 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 175.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 2.2 mp -101.64 109.99 27.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 176.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 49.5 t 64.64 50.16 2.17 Favored 'General case' 0 N--CA 1.446 -0.672 0 O-C-N 124.507 1.13 . . . . 0.0 109.637 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . -179.37 -165.23 33.21 Favored Glycine 0 N--CA 1.431 -1.68 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.724 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -114.89 135.66 53.96 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.482 ' HA ' ' O ' ' A' 1535 ' ' ARG . 18.9 t-20 -80.1 135.29 36.29 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.575 0.702 . . . . 0.0 112.638 -170.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.1 -20.19 57.01 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.391 1.476 . . . . 0.0 113.59 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -97.21 4.54 51.01 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 65.2 m -125.47 155.61 71.63 Favored Pre-proline 0 C--N 1.296 -1.732 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.77 -175.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -52.19 146.43 31.08 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 123.031 2.488 . . . . 0.0 110.894 173.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -54.42 114.78 1.98 Allowed 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 123.64 2.894 . . . . 0.0 112.657 -177.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 113.85 -11.65 22.84 Favored Glycine 0 N--CA 1.427 -1.939 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.827 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 59.0 t -88.52 126.05 41.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 CA-C-N 117.532 0.666 . . . . 0.0 109.49 177.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -88.62 -29.74 17.82 Favored Glycine 0 CA--C 1.506 -0.505 0 C-N-CA 121.188 -0.529 . . . . 0.0 113.469 -174.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -150.36 139.62 21.28 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 120.806 0.336 . . . . 0.0 110.865 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 75.0 m -126.7 133.12 50.99 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.042 177.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 92.0 t80 -106.94 126.26 52.08 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 123.247 0.619 . . . . 0.0 109.941 -177.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 95.28 166.11 35.27 Favored Glycine 0 N--CA 1.433 -1.561 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.446 174.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -67.04 -23.74 65.92 Favored 'General case' 0 C--O 1.247 0.972 0 C-N-CA 123.028 0.531 . . . . 0.0 111.173 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.3 m -87.69 2.25 51.59 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 121.992 0.901 . . . . 0.0 111.307 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.1 53.18 3.71 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.812 176.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 70.7 mt -69.26 117.53 12.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 7.1 p -60.34 110.1 1.16 Allowed 'General case' 0 N--CA 1.436 -1.13 0 CA-C-O 121.511 0.672 . . . . 0.0 110.737 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.406 HG23 ' HB3' ' A' 1606 ' ' TYR . 14.1 p -109.33 17.26 7.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 CA-C-O 122.548 1.166 . . . . 0.0 109.393 -176.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1575 ' ' GLY . . . . . 0.404 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 161.45 139.28 2.61 Favored Glycine 0 N--CA 1.424 -2.1 0 CA-C-N 114.675 -1.148 . . . . 0.0 113.072 176.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 39.6 tptt -85.15 145.67 27.5 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -59.02 105.57 0.33 Allowed 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 124.117 0.967 . . . . 0.0 112.845 -174.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 33.8 t30 -119.34 131.95 55.79 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 94.0 mttt -116.88 5.54 12.98 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.616 -176.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -78.46 96.87 5.5 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.683 0.754 . . . . 0.0 110.306 -177.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 30.0 mt -75.62 146.55 40.25 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.138 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -125.14 136.84 54.01 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 114.482 -1.236 . . . . 0.0 107.724 174.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1583 ' ' TYR . . . . . 0.532 ' CZ ' ' HA ' ' A' 1586 ' ' GLN . 60.9 t80 -111.86 100.36 8.86 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 175.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 9.4 m -126.1 115.79 43.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.1 -173.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 36.3 t70 57.39 48.33 14.93 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 124.795 1.238 . . . . 0.0 111.574 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1586 ' ' GLN . . . . . 0.532 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 43.1 tt0 64.17 30.66 13.62 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.011 178.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 38.2 t -135.52 136.34 50.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.488 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 87.2 mt -92.44 134.95 34.45 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 108.139 -1.059 . . . . 0.0 108.139 174.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -124.72 131.62 53.44 Favored 'General case' 0 C--N 1.29 -2.011 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.494 -177.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 22.2 mt -119.5 123.57 44.32 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 170.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 6.0 p -119.41 116.18 49.99 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 CA-C-O 121.46 0.648 . . . . 0.0 110.629 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1592 ' ' TYR . . . . . 0.404 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 97.4 m-85 -95.24 105.91 17.9 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 176.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 58.8 pttt -110.49 -172.99 2.14 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 12.3 m-20 66.83 29.57 8.34 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 122.958 0.503 . . . . 0.0 112.076 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -78.24 -159.28 12.76 Favored Glycine 0 C--O 1.252 1.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.208 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 50.4 m -64.88 134.91 96.19 Favored Pre-proline 0 C--N 1.309 -1.179 0 C-N-CA 122.424 0.29 . . . . 0.0 110.649 178.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -65.53 129.41 22.42 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.26 1.973 . . . . 0.0 108.994 176.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 55.3 m . . . . . 0 C--N 1.311 -1.094 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -177.845 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 N--CA 1.432 -1.33 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 47.9 m -131.0 152.78 49.94 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.41 ' CD2' ' HB3' ' A' 1634 ' ' CYS . 47.4 m-85 -58.84 132.09 52.91 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.723 -0.672 . . . . 0.0 112.009 177.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1607 ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' 1635 ' ' THR . 59.0 mtpt -135.77 136.2 40.55 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.5 -177.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 26.0 m -111.81 122.63 48.32 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 99.2 t -111.14 112.23 39.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 53.7 mt -100.53 113.89 37.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 177.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 20.2 t -102.48 111.56 23.91 Favored 'General case' 0 C--N 1.286 -2.165 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.488 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 95.5 m-85 -88.92 110.4 21.06 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 28.3 m -95.94 141.12 15.84 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.774 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.202 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 34.7 t -63.27 98.83 0.16 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.437 -1.256 . . . . 0.0 111.29 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1615 ' ' ARG . . . . . 0.536 ' HA ' ' NE ' ' A' 1615 ' ' ARG . 1.9 mmp_? -131.13 96.75 21.31 Favored Pre-proline 0 C--N 1.301 -1.519 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.231 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1616 ' ' PRO . . . . . 0.415 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 12.4 Cg_exo . . . . . 0 CA--C 1.532 0.379 0 C-N-CA 123.519 2.813 . . . . 0.0 113.216 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 . . . . . 0 C--O 1.258 1.513 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' 1639 ' ' SER . 83.4 Cg_endo -90.77 148.1 3.99 Favored 'Trans proline' 0 N--CA 1.436 -1.89 0 C-N-CA 122.117 1.878 . . . . 0.0 112.762 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 24.6 mmt -121.67 143.35 49.39 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 173.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.9 tt -86.3 110.48 19.68 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -178.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.8 mm -92.73 -45.15 14.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 CA-C-O 120.941 0.4 . . . . 0.0 111.524 -173.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 21.3 t -142.02 141.26 32.83 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -177.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.03 95.5 4.72 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -178.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 16.5 t70 -86.64 105.87 17.2 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 55.1 mttp -77.16 -22.12 53.03 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.526 -175.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -77.81 -46.06 22.66 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -174.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 42.6 p -101.97 6.48 41.25 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 120.937 0.399 . . . . 0.0 111.14 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1634 ' ' CYS . . . . . 0.41 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 60.2 m 57.78 43.68 21.51 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.036 176.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1635 ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' 1607 ' ' LYS . 32.2 m -114.2 122.59 47.25 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.469 -176.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.3 mp -101.53 128.28 47.85 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.728 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -102.42 108.0 19.18 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.889 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -105.95 139.25 40.78 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1639 ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' 1624 ' ' PRO . 21.3 t -119.83 118.65 31.35 Favored 'General case' 0 C--N 1.286 -2.192 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -102.21 142.39 33.53 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 54.6 m80 -109.21 106.16 15.91 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 -174.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 5.9 t -140.18 145.97 44.03 Favored Pre-proline 0 C--N 1.317 -0.845 0 CA-C-O 121.277 0.56 . . . . 0.0 111.11 -175.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1643 ' ' PRO . . . . . 0.415 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 63.6 Cg_endo -75.08 -7.76 19.38 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.14 2.56 . . . . 0.0 111.924 175.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 82.6 mt -81.89 -10.85 59.17 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 120.915 0.388 . . . . 0.0 111.926 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -90.8 -0.34 57.69 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.983 0.897 . . . . 0.0 109.726 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 76.3 m . . . . . 0 C--N 1.3 -1.574 0 CA-C-N 114.761 -1.108 . . . . 0.0 108.976 179.78 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 54.7 m . . . . . 0 C--O 1.249 1.053 0 CA-C-O 122.017 0.913 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1517 ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' 1527 ' ' PHE . 14.3 pt20 -156.33 129.15 7.84 Favored 'General case' 0 N--CA 1.418 -2.068 0 CA-C-N 114.14 -1.391 . . . . 0.0 107.954 176.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 16.2 t -127.16 135.03 64.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -176.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 29.4 m -90.83 116.01 28.33 Favored 'General case' 0 N--CA 1.419 -2.011 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -82.41 111.97 32.64 Favored Pre-proline 0 C--N 1.308 -1.236 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.22 -7.11 20.03 Favored 'Trans proline' 0 C--O 1.24 0.611 0 C-N-CA 122.813 2.342 . . . . 0.0 113.665 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 24.4 t -74.55 -49.24 22.67 Favored 'General case' 0 N--CA 1.433 -1.319 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 38.7 p -108.04 -23.5 11.97 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 92.67 20.68 33.62 Favored Glycine 0 N--CA 1.44 -1.091 0 C-N-CA 121.245 -0.503 . . . . 0.0 111.986 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -101.97 142.95 32.46 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.697 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 51.6 tp -88.98 120.38 30.35 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' 1517 ' ' GLN . 79.7 m-85 -99.33 106.88 19.03 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 177.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -130.09 152.29 49.7 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.444 -172.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 95.6 mt -123.82 28.16 6.99 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.913 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.6 m -68.19 -30.08 69.09 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.082 -177.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 30.1 t -70.11 -23.86 63.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.982 0.42 . . . . 0.0 110.338 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 88.7 mt -98.09 1.38 47.57 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.227 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1533 ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' 1552 ' ' ILE . 32.0 t -84.3 142.38 30.25 Favored 'General case' 0 N--CA 1.427 -1.614 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -168.92 140.73 6.32 Favored Glycine 0 N--CA 1.427 -1.92 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.465 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -65.68 -29.9 70.51 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 123.076 0.551 . . . . 0.0 112.346 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -82.54 -12.65 57.61 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.381 0.61 . . . . 0.0 110.152 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 55.31 -134.17 48.78 Favored Glycine 0 N--CA 1.441 -1.032 0 CA-C-N 114.673 -1.148 . . . . 0.0 112.948 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 84.5 t80 -152.03 136.37 16.75 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 175.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 23.6 m -100.92 108.69 20.51 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -101.42 106.92 18.12 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -93.91 104.06 16.13 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.222 0.534 . . . . 0.0 110.535 -177.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 88.7 m-85 . . . . . 0 C--N 1.299 -1.59 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.823 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.441 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1548 ' ' VAL . . . . . 0.553 ' HA ' ' O ' ' A' 1566 ' ' CYS . 98.0 t -88.39 107.01 17.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 CA-C-O 121.365 0.603 . . . . 0.0 110.168 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -89.76 104.59 17.14 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 177.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.7 ptp -121.6 142.54 50.01 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.373 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 48.1 t -110.82 132.21 54.39 Favored 'General case' 0 C--N 1.286 -2.181 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 173.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1552 ' ' ILE . . . . . 0.444 ' O ' ' HA ' ' A' 1533 ' ' SER . 50.4 mm -84.53 109.4 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.789 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 177.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 36.3 t 72.54 92.23 0.08 Allowed 'General case' 0 C--O 1.246 0.872 0 O-C-N 124.3 1.0 . . . . 0.0 111.01 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 119.99 -154.23 16.51 Favored Glycine 0 N--CA 1.428 -1.863 0 C-N-CA 120.216 -0.992 . . . . 0.0 112.314 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -111.02 150.69 28.94 Favored 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 122.924 0.489 . . . . 0.0 110.067 -178.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -99.7 131.78 45.47 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -176.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -72.08 -13.81 61.68 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 123.199 0.312 . . . . 0.0 111.406 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 10.7 m120 -87.01 -0.76 57.15 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.961 0.886 . . . . 0.0 109.004 176.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 72.3 m -121.12 163.9 27.09 Favored Pre-proline 0 C--N 1.298 -1.671 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.984 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -56.45 150.94 48.24 Favored 'Trans proline' 0 CA--C 1.55 1.315 0 C-N-CA 122.546 2.164 . . . . 0.0 110.95 174.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -59.97 114.69 2.19 Favored 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 122.994 2.463 . . . . 0.0 111.869 -176.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 110.19 -12.17 31.36 Favored Glycine 0 N--CA 1.432 -1.581 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.344 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 67.2 t -89.81 130.94 38.29 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -102.09 -26.51 7.4 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.807 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -142.43 129.94 21.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.716 0.293 . . . . 0.0 111.064 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1566 ' ' CYS . . . . . 0.553 ' O ' ' HA ' ' A' 1548 ' ' VAL . 76.0 m -121.43 133.81 55.08 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.074 178.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 90.2 t80 -109.56 139.13 44.95 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 86.61 164.47 39.83 Favored Glycine 0 N--CA 1.425 -2.077 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.221 176.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -73.85 -19.59 60.69 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.3 m -78.52 -6.78 56.41 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.108 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 65.2 48.38 2.2 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 124.004 0.922 . . . . 0.0 111.404 176.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 74.8 mt -73.96 121.08 24.29 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.184 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 10.1 p -63.76 112.08 2.71 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.334 0.587 . . . . 0.0 112.483 -178.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1574 ' ' VAL . . . . . . . . . . . . . 26.9 m -116.98 18.13 7.26 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-O 121.915 0.865 . . . . 0.0 110.07 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . -173.71 122.69 0.92 Allowed Glycine 0 N--CA 1.422 -2.275 0 CA-C-N 114.924 -1.034 . . . . 0.0 111.749 178.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 25.5 tptp -87.45 141.19 28.82 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -60.91 101.85 0.17 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -174.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -125.31 164.51 20.19 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 20.0 pttp -133.06 26.74 4.24 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.77 0.795 . . . . 0.0 110.278 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -77.29 94.67 4.2 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-N 114.539 -1.209 . . . . 0.0 110.6 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.482 HD21 ' HB3' ' A' 1588 ' ' LEU . 3.1 tt -98.34 129.39 45.01 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 177.167 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -128.46 142.99 50.92 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 40.7 p90 -95.53 105.86 17.88 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 176.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 6.8 p -119.89 109.94 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.303 0 CA-C-O 121.307 0.575 . . . . 0.0 111.289 -177.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 60.78 44.3 11.19 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.109 0.964 . . . . 0.0 110.657 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 65.31 17.34 10.96 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 114.727 -1.124 . . . . 0.0 112.025 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 99.8 t -115.58 128.44 72.81 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.614 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.484 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 75.6 mt -83.34 128.2 34.3 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 177.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -118.65 134.75 54.88 Favored 'General case' 0 C--N 1.286 -2.181 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.049 -175.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 42.8 mt -119.65 131.94 55.57 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 170.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 5.3 p -131.99 123.45 51.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 CA-C-O 121.49 0.662 . . . . 0.0 110.965 -178.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -112.36 105.84 14.22 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 22.5 pttp -108.77 177.16 4.86 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.44 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 36.2 m-20 64.97 52.58 1.53 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.917 1.287 . . . . 0.0 113.225 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -88.11 -123.52 1.98 Allowed Glycine 0 N--CA 1.436 -1.331 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 174.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 24.3 m -80.0 151.41 73.19 Favored Pre-proline 0 C--N 1.293 -1.866 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -75.09 133.62 16.67 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.237 1.958 . . . . 0.0 110.143 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 57.3 m . . . . . 0 C--N 1.304 -1.378 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.293 -177.122 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 CA--C 1.499 -1.017 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 9.1 t -134.84 147.18 49.85 Favored 'General case' 0 N--CA 1.412 -2.361 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1606 ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -64.38 135.73 56.43 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.269 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -141.91 143.63 33.39 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.847 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 3.3 p -121.12 135.01 55.26 Favored 'General case' 0 C--N 1.288 -2.067 0 CA-C-O 121.213 0.53 . . . . 0.0 111.693 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 93.3 t -120.95 117.61 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.181 0 CA-C-N 115.496 -0.774 . . . . 0.0 108.951 -178.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 54.9 mt -105.22 115.65 47.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 23.0 t -100.21 104.79 16.32 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 123.643 0.777 . . . . 0.0 109.192 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.484 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 87.8 m-85 -88.25 99.31 12.13 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 21.8 t -91.5 138.26 20.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -177.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1614 ' ' CYS . . . . . 0.64 ' HA ' ' O ' ' A' 1642 ' ' THR . 46.8 t -76.55 133.27 39.76 Favored 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.519 -176.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -150.3 100.08 3.2 Favored Pre-proline 0 N--CA 1.427 -1.591 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 175.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo . . . . . 0 C--N 1.357 1.003 0 C-N-CA 123.278 2.652 . . . . 0.0 111.467 178.523 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 . . . . . 0 N--CA 1.429 -1.515 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -78.01 122.09 5.64 Favored 'Trans proline' 0 N--CA 1.445 -1.372 0 C-N-CA 121.344 1.363 . . . . 0.0 110.233 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 87.2 mtp -121.4 136.18 54.99 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.2 tt -81.42 111.31 17.65 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 -178.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.2 mm -93.84 -39.36 10.58 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.985 -175.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 74.0 m -148.63 134.41 18.91 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 121.07 0.462 . . . . 0.0 111.51 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 1.5 tm? -106.66 120.03 40.88 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -117.87 103.66 10.18 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -84.04 -10.12 58.11 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -177.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -72.26 -48.09 45.24 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.5 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 24.8 p -99.8 -0.96 38.79 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 121.435 0.635 . . . . 0.0 110.511 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 86.4 m 60.8 42.06 13.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 114.079 -1.419 . . . . 0.0 110.276 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 19.0 m -105.3 122.29 45.65 Favored 'General case' 0 N--CA 1.427 -1.575 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.282 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.2 mp -100.31 116.35 32.08 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 175.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -92.53 107.91 19.57 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.838 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -107.36 143.61 35.42 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 16.3 t -124.99 144.64 50.28 Favored 'General case' 0 N--CA 1.416 -2.137 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 177.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -131.98 141.69 49.36 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 69.3 m80 -110.4 113.95 27.0 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 120.38 -0.528 . . . . 0.0 109.675 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1642 ' ' THR . . . . . 0.64 ' O ' ' HA ' ' A' 1614 ' ' CYS . 10.0 t -139.93 139.68 22.23 Favored Pre-proline 0 C--N 1.31 -1.135 0 CA-C-O 121.159 0.504 . . . . 0.0 110.193 -176.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -74.61 -8.7 20.76 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.729 2.286 . . . . 0.0 111.713 176.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.94 -15.5 62.6 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.015 0.526 . . . . 0.0 111.065 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -76.9 -7.82 56.23 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 122.053 0.93 . . . . 0.0 109.987 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 84.9 m . . . . . 0 N--CA 1.431 -1.423 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 173.45 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 78.2 m . . . . . 0 CA--C 1.502 -0.888 0 CA-C-O 122.238 1.018 . . . . 0.0 112.148 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1517 ' ' GLN . . . . . 0.643 ' HA ' ' O ' ' A' 1527 ' ' PHE . 17.5 pt20 -143.33 128.96 19.2 Favored 'General case' 0 N--CA 1.419 -2.025 0 CA-C-N 113.275 -1.784 . . . . 0.0 107.178 172.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 71.3 t -136.09 124.17 36.04 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 6.9 m -96.14 114.24 25.92 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -90.77 115.38 64.12 Favored Pre-proline 0 C--N 1.304 -1.382 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -72.51 -17.59 26.58 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 122.8 2.334 . . . . 0.0 113.865 -173.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 16.5 m -79.99 -36.47 35.97 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.256 -177.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 17.5 p -104.86 -15.69 15.1 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.127 0.489 . . . . 0.0 112.064 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 73.46 20.13 79.8 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 -177.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -101.2 132.44 46.7 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.657 -173.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 69.3 tp -96.53 121.59 38.51 Favored 'General case' 0 N--CA 1.419 -1.983 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.643 ' O ' ' HA ' ' A' 1517 ' ' GLN . 96.4 m-85 -85.98 106.33 17.08 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.13 135.06 47.19 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 123.688 0.617 . . . . 0.0 110.026 175.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 74.1 mt -115.79 15.81 16.36 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 167.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 14.2 m -63.27 -30.48 71.62 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 113.942 -1.481 . . . . 0.0 112.052 -176.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 18.4 m -86.81 -1.37 57.72 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.376 0.608 . . . . 0.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 74.9 mt -116.88 7.48 13.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.769 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 23.0 t -91.97 135.46 33.93 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.156 -177.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -159.36 141.72 7.75 Favored Glycine 0 N--CA 1.426 -2.005 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1535 ' ' ARG . . . . . 0.533 ' O ' ' HA ' ' A' 1556 ' ' ASN . 22.9 mtm180 -83.57 -15.19 50.11 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -87.47 -35.23 18.36 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 172.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 71.01 -156.69 53.33 Favored Glycine 0 N--CA 1.429 -1.829 0 CA-C-N 113.901 -1.5 . . . . 0.0 113.408 173.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -117.33 135.76 53.62 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 19.6 m -102.82 107.09 17.82 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -88.61 138.09 31.73 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -86.64 117.36 25.35 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.394 -176.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 89.2 t80 . . . . . 0 C--N 1.295 -1.772 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 176.794 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -2.375 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 42.0 t -96.7 105.25 16.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.841 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -82.05 107.41 14.73 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 23.8 ptp -112.23 111.35 22.18 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-O 121.204 0.526 . . . . 0.0 110.453 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 39.3 t -89.94 111.92 23.14 Favored 'General case' 0 N--CA 1.425 -1.679 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 175.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 65.6 mt -81.61 112.55 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.739 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.726 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 73.1 m 71.61 24.15 3.61 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.935 1.294 . . . . 0.0 113.951 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . -154.93 -174.32 24.73 Favored Glycine 0 N--CA 1.426 -1.996 0 C-N-CA 119.704 -1.236 . . . . 0.0 112.368 -178.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -101.89 123.83 46.49 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 123.435 0.694 . . . . 0.0 109.991 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.533 ' HA ' ' O ' ' A' 1535 ' ' ARG . 40.1 t30 -66.32 125.15 24.7 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.432 0.634 . . . . 0.0 111.836 -176.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -77.06 -14.53 59.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.371 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 14.4 m120 -91.58 9.74 30.9 Favored 'General case' 0 C--O 1.246 0.919 0 CA-C-O 121.707 0.765 . . . . 0.0 110.922 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 94.9 m -144.39 174.0 3.9 Favored Pre-proline 0 C--N 1.305 -1.355 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -57.65 133.67 58.03 Favored 'Trans proline' 0 C--O 1.249 1.043 0 C-N-CA 121.546 1.497 . . . . 0.0 111.11 173.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.79 104.84 0.24 Allowed 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.851 2.367 . . . . 0.0 111.052 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 149.24 -25.62 1.25 Allowed Glycine 0 C--N 1.298 -1.529 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 -177.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 60.7 t -87.56 133.93 29.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 175.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -101.23 -32.41 5.25 Favored Glycine 0 CA--C 1.501 -0.824 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.873 -177.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -134.43 135.95 42.91 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 30.3 m -124.2 133.57 53.51 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 81.1 t80 -105.47 112.75 25.96 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 90.28 162.67 38.48 Favored Glycine 0 N--CA 1.431 -1.689 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -74.46 -6.7 49.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.537 0.684 . . . . 0.0 110.653 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.46 0.65 28.61 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.014 178.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 64.6 29.21 13.16 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 124.357 1.063 . . . . 0.0 110.72 173.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 64.0 mt -73.41 125.35 32.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.025 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 6.0 p -65.44 122.54 17.42 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -176.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.505 HG23 ' HB3' ' A' 1606 ' ' TYR . 14.3 p -122.43 29.77 2.48 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-O 123.291 1.519 . . . . 0.0 107.683 176.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 152.79 135.19 2.15 Favored Glycine 0 N--CA 1.423 -2.184 0 CA-C-N 113.886 -1.507 . . . . 0.0 112.776 177.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 22.7 tptm -75.89 158.06 32.52 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -70.15 76.45 0.51 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.217 0.532 . . . . 0.0 110.848 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 14.8 m120 -86.74 145.17 26.76 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.688 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -128.07 30.06 5.3 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -176.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -90.65 100.7 13.5 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.457 HD11 ' HB3' ' A' 1588 ' ' LEU . 55.7 tp -91.32 127.26 36.68 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 53.3 mtp85 -120.15 138.98 53.28 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.424 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 65.1 t80 -121.79 111.01 16.61 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 15.9 m -139.67 142.26 33.01 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 23.1 t70 42.9 48.75 5.08 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 124.746 1.218 . . . . 0.0 113.054 175.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 57.22 37.09 28.15 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 6.4 p -143.05 134.15 23.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 CA-C-O 121.099 0.476 . . . . 0.0 110.209 174.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.486 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 80.0 mt -92.74 124.88 37.07 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 175.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -114.11 125.26 53.76 Favored 'General case' 0 C--N 1.284 -2.28 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.051 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 46.5 mt -114.63 124.05 50.86 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 173.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 13.4 p -111.61 133.06 58.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -118.41 93.7 4.21 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 176.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 21.9 pttp -106.04 167.69 9.63 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.458 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 30.0 t70 68.76 112.43 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.885 1.274 . . . . 0.0 111.439 -174.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -159.15 -142.92 3.52 Favored Glycine 0 N--CA 1.428 -1.84 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 22.1 t -72.43 138.94 81.02 Favored Pre-proline 0 C--N 1.3 -1.571 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 177.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 157.95 58.56 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.684 2.256 . . . . 0.0 111.895 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1598 ' ' CYS . . . . . 0.484 ' H ' ' HB2' ' A' 1604 ' ' LEU . 62.3 m . . . . . 0 C--N 1.298 -1.631 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -177.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1604 ' ' LEU . . . . . 0.484 ' HB2' ' H ' ' A' 1598 ' ' CYS . 0.6 OUTLIER . . . . . 0 N--CA 1.425 -1.682 0 CA-C-O 122.333 1.063 . . . . 0.0 112.789 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 30.9 m -167.41 119.85 0.92 Allowed 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.819 178.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.505 ' HB3' HG23 ' A' 1574 ' ' VAL . 44.9 m-85 -67.18 116.69 8.26 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 171.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -137.17 156.04 48.82 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.745 -175.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 19.6 m -125.07 140.32 53.0 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.629 -176.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 88.9 t -124.33 113.44 36.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 175.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 54.9 mt -102.97 116.41 46.66 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 11.1 t -104.44 107.51 18.48 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.486 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 86.0 m-85 -92.87 99.48 12.13 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 66.4 t -86.02 134.01 28.3 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.329 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.897 -175.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1614 ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' 1645 ' ' ALA . 17.1 t -56.74 119.4 6.11 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.286 0.991 . . . . 0.0 111.103 177.148 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -140.48 94.23 8.5 Favored Pre-proline 0 N--CA 1.428 -1.537 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo . . . . . 0 N--CA 1.483 0.885 0 C-N-CA 123.12 2.546 . . . . 0.0 112.345 -178.794 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 . . . . . 0 N--CA 1.425 -1.7 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -69.06 121.54 8.38 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 121.219 1.279 . . . . 0.0 110.171 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 76.4 mtm -123.28 140.25 53.21 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.898 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.5 tt -84.51 117.34 23.62 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -177.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.0 mm -90.37 -53.55 8.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 CA-C-O 121.021 0.438 . . . . 0.0 110.635 -177.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 37.6 m -137.59 131.84 32.21 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.359 -176.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -105.95 104.45 14.17 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 30.3 t70 -102.36 110.79 22.85 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.339 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1631 ' ' LYS . . . . . 0.446 ' HZ3' ' HB3' ' A' 1631 ' ' LYS . 10.0 mtpm? -85.53 -1.44 57.09 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 177.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -72.75 -53.29 12.02 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 178.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 11.1 p -112.76 14.56 19.95 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.471 0.653 . . . . 0.0 110.601 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 76.3 m 50.93 45.59 27.38 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 114.083 -1.417 . . . . 0.0 111.849 177.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 21.4 m -106.54 120.15 41.18 Favored 'General case' 0 N--CA 1.413 -2.287 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.987 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.4 mp -98.35 118.04 34.11 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 176.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -93.2 112.37 24.29 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.779 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.07 144.51 38.55 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 21.3 t -125.75 146.62 49.69 Favored 'General case' 0 N--CA 1.417 -2.118 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -136.06 144.14 45.05 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 52.6 m80 -112.41 115.13 28.22 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 8.8 t -140.19 142.03 28.54 Favored Pre-proline 0 N--CA 1.432 -1.349 0 CA-C-O 121.097 0.475 . . . . 0.0 110.158 -176.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -75.59 -6.82 18.09 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.944 2.429 . . . . 0.0 110.843 175.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.3 mt -78.68 -8.05 58.31 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.005 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1645 ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' 1614 ' ' CYS . . . -104.79 25.8 9.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.448 0.642 . . . . 0.0 109.854 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 83.7 m . . . . . 0 C--N 1.3 -1.544 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.357 -176.665 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1516 ' ' CYS . . . . . 0.693 ' SG ' ' HB2' ' A' 1529 ' ' LEU . 7.9 t . . . . . 0 C--O 1.25 1.1 0 CA-C-O 121.277 0.561 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1517 ' ' GLN . . . . . 0.415 ' HB2' HD12 ' A' 1526 ' ' LEU . 10.2 pt20 -163.28 138.14 6.37 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.268 -176.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 59.8 t -122.88 127.17 74.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 28.7 m -98.26 111.76 23.98 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 176.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 47.4 t30 -83.95 109.39 18.46 Favored Pre-proline 0 C--N 1.311 -1.087 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.36 -14.77 40.96 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.452 2.768 . . . . 0.0 115.2 -169.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 13.7 p -76.19 -41.09 50.69 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-O 121.19 0.519 . . . . 0.0 111.046 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 30.7 p -103.25 -18.5 14.86 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 121.203 0.525 . . . . 0.0 111.69 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 79.84 17.61 74.61 Favored Glycine 0 N--CA 1.442 -0.947 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.405 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 32.7 m170 -97.43 136.29 38.09 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.077 0.465 . . . . 0.0 112.103 -175.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1526 ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' 1517 ' ' GLN . 52.7 tp -96.53 121.13 38.01 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.785 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -102.07 106.89 17.84 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -124.07 147.91 47.5 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.115 -174.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1529 ' ' LEU . . . . . 0.693 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 97.2 mt -118.31 29.21 7.9 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.666 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.5 m -52.7 -35.48 55.67 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 124.498 1.119 . . . . 0.0 112.58 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 19.6 m -69.19 -17.42 63.8 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 120.924 0.393 . . . . 0.0 111.893 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 73.2 mt -110.18 -17.39 13.55 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.816 0.341 . . . . 0.0 110.399 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 23.0 t -69.19 117.07 10.37 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.778 -176.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -173.64 154.44 19.93 Favored Glycine 0 N--CA 1.42 -2.425 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1535 ' ' ARG . . . . . 0.528 ' O ' ' HA ' ' A' 1556 ' ' ASN . 51.6 mtp180 -71.62 -22.65 61.68 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 122.824 0.45 . . . . 0.0 111.813 -176.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -77.03 -24.17 52.08 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.044 0.449 . . . . 0.0 110.162 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1537 ' ' GLY . . . . . 0.595 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 54.92 -110.66 1.79 Allowed Glycine 0 CA--C 1.493 -1.319 0 CA-C-N 114.602 -1.181 . . . . 0.0 112.898 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 41.9 t80 -152.42 140.1 19.85 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 29.4 m -111.09 114.11 27.14 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -129.03 130.98 47.3 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.704 -177.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -102.68 134.94 45.23 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 86.0 m-85 . . . . . 0 C--N 1.316 -0.857 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.329 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.063 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 48.1 t -113.12 114.07 45.86 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.972 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1549 ' ' TYR . . . . . 0.445 ' O ' ' HA ' ' A' 1565 ' ' ALA . 89.1 m-85 -103.45 104.36 14.43 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.913 -1.144 . . . . 0.0 107.913 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1550 ' ' MET . . . . . 0.595 ' O ' ' HA3' ' A' 1537 ' ' GLY . 23.1 ptp -113.85 141.5 47.25 Favored 'General case' 0 C--N 1.29 -1.999 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1551 ' ' SER . . . . . 0.414 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 20.2 t -97.94 161.27 13.81 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 175.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 49.4 mm -119.26 103.59 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.681 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 76.3 m 70.21 37.63 1.6 Allowed 'General case' 0 C--N 1.317 -0.824 0 O-C-N 124.842 1.339 . . . . 0.0 112.95 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . -178.37 -150.32 8.65 Favored Glycine 0 N--CA 1.431 -1.684 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.315 176.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.59 152.74 22.06 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 122.76 0.424 . . . . 0.0 110.033 175.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1556 ' ' ASN . . . . . 0.528 ' HA ' ' O ' ' A' 1535 ' ' ARG . 25.9 t-20 -91.36 129.07 37.4 Favored 'General case' 0 C--N 1.306 -1.295 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.016 -176.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -75.0 -10.57 59.6 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -175.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 17.3 m120 -91.48 -10.94 39.0 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 175.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 74.0 m -102.38 165.87 13.04 Favored Pre-proline 0 C--N 1.303 -1.432 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.145 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -60.21 140.87 94.34 Favored 'Trans proline' 0 CA--C 1.546 1.087 0 C-N-CA 122.201 1.934 . . . . 0.0 110.521 171.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -56.62 104.5 0.14 Allowed 'Trans proline' 0 N--CA 1.478 0.605 0 C-N-CA 123.654 2.902 . . . . 0.0 112.974 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 131.96 -22.2 4.31 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 90.9 t -87.79 130.33 37.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -90.05 -27.14 22.09 Favored Glycine 0 N--CA 1.438 -1.218 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.751 -177.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1565 ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' 1549 ' ' TYR . . . -153.71 138.38 16.96 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 120.758 0.313 . . . . 0.0 110.908 -179.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 86.0 m -121.4 138.32 54.32 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 122.954 0.502 . . . . 0.0 110.157 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 88.2 t80 -112.37 113.45 25.65 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 95.94 167.62 34.71 Favored Glycine 0 C--N 1.31 -0.879 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.936 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -78.67 -7.48 57.71 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 11.7 m -89.06 -3.75 58.58 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 173.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 59.55 45.91 12.75 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 125.957 1.703 . . . . 0.0 113.038 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 95.5 mt -60.43 114.76 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 174.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 34.6 p -64.71 122.64 17.34 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.015 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.43 HG22 ' HB3' ' A' 1606 ' ' TYR . 14.9 p -109.51 27.37 2.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 CA-C-O 122.559 1.171 . . . . 0.0 108.762 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 151.4 150.55 5.36 Favored Glycine 0 N--CA 1.43 -1.723 0 CA-C-N 114.732 -1.122 . . . . 0.0 114.354 173.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.485 ' HE2' ' O ' ' A' 1594 ' ' ASP . 75.4 mmtt -81.79 154.53 25.89 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -66.97 147.48 53.17 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.605 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 9.1 p30 -161.28 150.34 16.34 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 22.1 pttp -128.96 10.58 5.94 Favored 'General case' 0 C--N 1.312 -1.025 0 O-C-N 123.953 0.783 . . . . 0.0 111.043 -175.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -100.14 115.78 30.62 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-O 121.298 0.571 . . . . 0.0 111.343 -178.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 79.0 mt -82.2 138.6 34.63 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 115.03 -0.987 . . . . 0.0 109.506 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -107.62 112.83 25.74 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 175.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 24.2 t80 -92.68 100.18 12.73 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1584 ' ' VAL . . . . . 0.403 ' O ' HG22 ' A' 1587 ' ' VAL . 14.8 m -133.31 135.37 56.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.202 -177.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 56.45 34.64 24.61 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.439 0.696 . . . . 0.0 112.479 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 25.8 mp0 60.78 30.65 19.81 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 115.29 -0.868 . . . . 0.0 113.245 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1587 ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' 1584 ' ' VAL . 22.2 m -135.04 152.2 32.24 Favored 'Isoleucine or valine' 0 C--O 1.244 0.806 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 173.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.47 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 79.3 mt -98.0 122.54 41.25 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -108.22 124.05 49.69 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.987 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 53.9 mt -115.91 123.48 48.2 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 170.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.5 p -121.06 107.2 19.89 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 CA-C-O 122.193 0.997 . . . . 0.0 111.126 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -89.85 96.86 10.88 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 58.5 pttt -115.03 179.41 3.96 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 -175.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1594 ' ' ASP . . . . . 0.485 ' O ' ' HE2' ' A' 1576 ' ' LYS . 62.6 m-20 62.6 43.04 7.9 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.126 1.37 . . . . 0.0 110.97 178.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -83.07 -118.93 0.63 Allowed Glycine 0 N--CA 1.437 -1.297 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.128 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 32.1 t -86.06 132.98 41.99 Favored Pre-proline 0 C--N 1.3 -1.562 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -63.17 120.93 8.58 Favored 'Trans proline' 0 C--O 1.254 1.275 0 C-N-CA 122.867 2.378 . . . . 0.0 110.707 175.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 61.2 m . . . . . 0 C--N 1.312 -1.022 0 C-N-CA 123.716 0.806 . . . . 0.0 111.116 -176.721 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.438 -1.055 0 CA-C-O 121.236 0.541 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 11.7 p -128.12 145.56 50.97 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.164 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.43 ' HB3' HG22 ' A' 1574 ' ' VAL . 84.3 m-85 -63.73 128.19 34.72 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.111 178.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -136.89 145.22 44.09 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.126 -177.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 6.8 p -119.23 131.36 55.8 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.521 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 62.0 t -113.05 111.55 36.61 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 58.9 mt -102.4 112.2 34.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 15.4 m -105.75 116.63 32.28 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.034 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.47 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 80.7 m-85 -90.42 107.51 19.2 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 22.3 t -102.08 136.56 33.62 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1614 ' ' CYS . . . . . 0.617 ' HA ' ' O ' ' A' 1642 ' ' THR . 34.5 m -68.32 124.85 24.63 Favored 'General case' 0 C--N 1.31 -1.124 0 C-N-CA 122.998 0.519 . . . . 0.0 112.005 -175.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -140.3 108.33 6.76 Favored Pre-proline 0 C--N 1.315 -0.9 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.448 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo . . . . . 0 N--CA 1.489 1.246 0 C-N-CA 123.095 2.53 . . . . 0.0 111.527 178.096 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 . . . . . 0 N--CA 1.44 -0.967 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1624 ' ' PRO . . . . . 0.519 ' HA ' ' O ' ' A' 1639 ' ' SER . 72.2 Cg_endo -89.65 143.96 4.47 Favored 'Trans proline' 0 N--CA 1.431 -2.158 0 C-N-CA 121.483 1.455 . . . . 0.0 111.283 177.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 19.8 mmt -119.96 153.3 36.15 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 173.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.6 tt -90.88 102.35 15.11 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 -178.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.0 mm -80.15 -51.91 15.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.613 -174.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 19.6 m -137.26 127.01 25.46 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 120.479 -0.489 . . . . 0.0 110.197 -177.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.62 102.99 14.65 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 105.504 -2.036 . . . . 0.0 105.504 176.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 14.4 t70 -109.73 100.99 9.92 Favored 'General case' 0 C--N 1.291 -1.941 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.218 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -84.11 -7.31 59.41 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -72.06 -46.49 56.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.302 0.572 . . . . 0.0 110.438 -178.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 37.5 p -106.59 8.15 31.1 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.712 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 71.4 m 57.49 40.48 27.09 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.964 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 25.4 m -121.63 122.29 39.28 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-O 121.122 0.487 . . . . 0.0 110.417 -175.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.39 122.17 43.75 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -95.49 119.23 33.63 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.084 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -116.89 143.32 45.83 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1639 ' ' SER . . . . . 0.519 ' O ' ' HA ' ' A' 1624 ' ' PRO . 10.0 t -126.23 133.0 51.61 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -119.15 135.36 54.7 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -112.03 101.54 9.82 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 119.331 -0.948 . . . . 0.0 111.479 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1642 ' ' THR . . . . . 0.617 ' O ' ' HA ' ' A' 1614 ' ' CYS . 4.9 t -126.53 137.9 31.33 Favored Pre-proline 0 C--N 1.312 -1.055 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.575 -177.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.71 -10.63 18.51 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.765 2.31 . . . . 0.0 112.322 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.31 -13.19 60.16 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -176.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1645 ' ' ALA . . . . . 0.405 ' HB1' ' SG ' ' A' 1614 ' ' CYS . . . -77.93 -10.01 59.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.458 0.647 . . . . 0.0 111.265 -178.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 97.3 m . . . . . 0 C--N 1.306 -1.304 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.126 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1516 ' ' CYS . . . . . 0.407 ' HA ' ' HB2' ' A' 1581 ' ' LEU . 52.0 m . . . . . 0 CA--C 1.506 -0.737 0 CA-C-O 121.495 0.664 . . . . 0.0 111.899 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1517 ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' 1527 ' ' PHE . 18.2 pt20 -138.82 129.55 26.25 Favored 'General case' 0 N--CA 1.419 -1.995 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.551 178.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 60.9 t -125.42 127.07 71.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -178.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 10.7 m -99.49 111.64 23.97 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -100.75 116.1 64.56 Favored Pre-proline 0 C--N 1.317 -0.821 0 C-N-CA 120.681 -0.408 . . . . 0.0 109.925 178.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.96 -21.95 52.35 Favored 'Trans proline' 0 N--CA 1.484 0.952 0 C-N-CA 123.825 3.017 . . . . 0.0 113.344 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 13.3 m -64.65 -41.11 96.35 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-O 121.24 0.543 . . . . 0.0 111.014 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 1.7 p -104.29 -28.54 11.34 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.124 0.488 . . . . 0.0 112.142 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 79.83 14.07 81.42 Favored Glycine 0 N--CA 1.442 -0.966 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 6.0 t60 -107.97 139.04 43.18 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -175.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 64.7 tp -87.6 110.33 20.3 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 177.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1527 ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' A' 1517 ' ' GLN . 78.0 m-85 -93.52 114.33 26.67 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.2 p30 -122.51 162.59 21.48 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.769 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 97.6 mt -121.09 28.2 8.0 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.522 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 79.9 p -61.37 -31.96 71.86 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -175.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 15.9 m -65.76 -24.1 66.87 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.041 0.448 . . . . 0.0 111.302 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 73.0 mt -103.12 6.92 38.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.121 0.486 . . . . 0.0 110.329 -176.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 19.3 m -87.91 97.22 10.82 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-O 121.399 0.619 . . . . 0.0 111.45 -176.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -111.28 146.29 17.74 Favored Glycine 0 C--N 1.3 -1.429 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -74.86 -31.91 61.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 117.832 0.816 . . . . 0.0 111.675 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -92.35 -14.98 27.93 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 121.616 0.722 . . . . 0.0 109.212 174.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1537 ' ' GLY . . . . . 0.413 ' HA3' ' HA ' ' A' 1551 ' ' SER . . . 68.14 -136.19 30.4 Favored Glycine 0 N--CA 1.427 -1.916 0 CA-C-N 114.805 -1.089 . . . . 0.0 112.642 177.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -130.54 135.94 48.43 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 4.6 m -109.88 107.81 17.89 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -110.42 139.59 45.48 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.732 -177.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -110.16 111.05 22.15 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 C--N 1.301 -1.524 0 CA-C-O 119.461 -0.304 . . . . 0.0 110.184 -178.367 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.951 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 54.9 t -122.73 112.68 35.14 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.931 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -93.32 104.13 16.32 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 -178.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.3 ptp -120.59 121.93 39.45 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.445 -178.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1551 ' ' SER . . . . . 0.413 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 31.6 t -96.98 114.17 25.77 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 175.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 50.2 mm -79.28 112.07 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 31.4 t 72.33 52.32 0.18 Allowed 'General case' 0 C--N 1.316 -0.857 0 O-C-N 124.32 1.012 . . . . 0.0 111.897 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 163.31 -171.62 39.07 Favored Glycine 0 N--CA 1.426 -2.008 0 C-N-CA 119.648 -1.263 . . . . 0.0 111.617 176.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.76 147.15 23.2 Favored 'General case' 0 N--CA 1.423 -1.785 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -92.72 128.24 38.51 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -176.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -69.55 -11.83 61.15 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.929 0.395 . . . . 0.0 111.945 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -88.5 0.23 56.51 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 74.6 m -126.91 163.01 44.07 Favored Pre-proline 0 C--N 1.303 -1.417 0 C-N-CA 123.485 0.714 . . . . 0.0 109.507 -178.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -52.7 145.85 37.37 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.963 2.442 . . . . 0.0 111.369 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -51.32 99.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 123.763 2.975 . . . . 0.0 112.825 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1562 ' ' GLY . . . . . 0.436 ' O ' ' HD2' ' A' 1576 ' ' LYS . . . 125.16 -17.12 7.12 Favored Glycine 0 N--CA 1.439 -1.101 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.904 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 65.8 t -88.01 130.36 37.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -97.36 -29.78 7.71 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.56 -0.828 . . . . 0.0 113.111 -175.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -137.22 138.03 39.72 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.423 -177.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 71.9 m -131.73 137.38 48.21 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.096 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 83.6 t80 -109.89 130.14 55.56 Favored 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 122.869 0.468 . . . . 0.0 110.638 -178.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 89.76 170.03 44.12 Favored Glycine 0 N--CA 1.437 -1.287 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.418 175.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -72.36 -22.02 61.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.812 0.339 . . . . 0.0 111.611 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 20.4 m -80.84 -8.61 59.75 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 122.475 1.131 . . . . 0.0 109.227 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 60.54 55.17 3.49 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 125.766 1.626 . . . . 0.0 111.822 175.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 68.7 mt -66.99 124.4 22.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 3.0 p -60.18 110.8 1.31 Allowed 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 121.418 0.628 . . . . 0.0 111.58 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1574 ' ' VAL . . . . . 0.463 HG22 ' HB3' ' A' 1606 ' ' TYR . 12.4 p -113.17 21.46 6.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-O 122.085 0.945 . . . . 0.0 109.861 -176.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 161.75 131.95 1.28 Allowed Glycine 0 N--CA 1.43 -1.711 0 C-N-CA 119.056 -1.545 . . . . 0.0 114.233 176.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1576 ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' A' 1562 ' ' GLY . 28.6 tptp -76.04 145.33 40.25 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 176.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -62.14 87.9 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -176.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.51 131.83 41.26 Favored 'General case' 0 CA--C 1.493 -1.222 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 176.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -114.81 1.55 14.14 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -67.61 93.87 0.39 Allowed 'General case' 0 C--O 1.25 1.116 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.642 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1581 ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' 1516 ' ' CYS . 0.6 OUTLIER -75.92 127.29 32.68 Favored 'General case' 0 CA--C 1.493 -1.249 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 176.264 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -112.54 127.14 55.99 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.65 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1583 ' ' TYR . . . . . 0.434 ' CE1' ' HA ' ' A' 1586 ' ' GLN . 80.2 t80 -101.46 102.86 13.72 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 175.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 8.2 m -131.83 127.0 58.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.35 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 31.4 t70 51.8 50.17 19.23 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 122.509 1.147 . . . . 0.0 111.721 179.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1586 ' ' GLN . . . . . 0.434 ' HA ' ' CE1' ' A' 1583 ' ' TYR . 79.2 mt-30 63.17 14.84 8.05 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 177.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 12.8 p -123.51 141.95 41.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 177.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1588 ' ' LEU . . . . . 0.426 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 95.9 mt -92.44 131.25 37.75 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -137.75 135.45 36.37 Favored 'General case' 0 C--N 1.291 -1.975 0 C-N-CA 119.203 -0.999 . . . . 0.0 111.503 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 67.4 mt -114.3 123.39 49.39 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 176.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 57.8 t -113.18 108.12 24.71 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.326 0 CA-C-O 121.128 0.489 . . . . 0.0 110.082 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -88.76 88.9 7.77 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -97.31 177.88 5.41 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 113.168 -1.833 . . . . 0.0 109.903 -175.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 26.0 t70 55.65 62.84 2.26 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 122.227 1.013 . . . . 0.0 113.129 177.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -104.47 -144.08 12.84 Favored Glycine 0 N--CA 1.437 -1.28 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 174.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1596 ' ' SER . . . . . 0.428 ' O ' ' HD1' ' A' 1606 ' ' TYR . 20.1 t -64.41 134.61 96.04 Favored Pre-proline 0 C--N 1.311 -1.078 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 178.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.35 147.33 82.84 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.368 2.045 . . . . 0.0 112.354 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 61.5 m . . . . . 0 C--N 1.309 -1.186 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 -176.816 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.443 -0.812 0 CA-C-O 122.223 1.011 . . . . 0.0 113.723 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 15.1 p -178.33 124.3 0.11 Allowed 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.486 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1606 ' ' TYR . . . . . 0.463 ' HB3' HG22 ' A' 1574 ' ' VAL . 49.1 m-85 -65.27 124.79 23.13 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 171.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -139.5 144.6 38.01 Favored 'General case' 0 N--CA 1.424 -1.733 0 CA-C-O 121.389 0.614 . . . . 0.0 110.798 -176.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 32.8 t -113.9 126.28 54.99 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.002 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.6 t -111.69 107.92 24.17 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 60.7 mt -104.26 111.08 32.44 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 13.0 t -98.3 127.19 44.11 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1612 ' ' PHE . . . . . 0.426 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 97.7 m-85 -105.95 104.54 14.27 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -176.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 53.0 t -98.27 138.39 23.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.07 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 29.4 t -61.26 100.66 0.13 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.332 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -136.13 88.57 21.53 Favored Pre-proline 0 C--N 1.308 -1.201 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo . . . . . 0 N--CA 1.48 0.732 0 C-N-CA 123.887 3.058 . . . . 0.0 113.755 -177.649 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 . . . . . 0 C--O 1.243 0.73 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -74.44 123.3 8.06 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.347 2.032 . . . . 0.0 110.83 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 24.5 mmt -113.45 140.25 48.24 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.636 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.8 tt -80.92 115.8 20.58 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 46.4 mm -93.46 -52.77 9.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.674 -177.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 22.3 m -139.51 134.94 32.94 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.916 -0.49 . . . . 0.0 110.961 -177.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.35 109.64 21.43 Favored 'General case' 0 N--CA 1.435 -1.19 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 12.0 t70 -113.53 98.95 7.39 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -82.71 -13.35 56.53 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 121.171 0.51 . . . . 0.0 110.627 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -71.9 -45.81 59.96 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.596 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 24.0 p -105.55 12.02 31.77 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.769 0.795 . . . . 0.0 110.141 175.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 37.8 m 52.9 46.33 26.99 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 113.914 -1.494 . . . . 0.0 111.385 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 26.6 m -115.78 117.04 29.11 Favored 'General case' 0 N--CA 1.415 -2.195 0 CA-C-O 121.319 0.581 . . . . 0.0 110.117 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.6 mp -99.09 112.96 24.96 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -87.79 112.66 22.68 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.347 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -115.64 143.86 44.75 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 32.7 t -125.99 125.94 43.51 Favored 'General case' 0 N--CA 1.408 -2.53 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 176.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -103.51 136.04 43.98 Favored 'General case' 0 N--CA 1.41 -2.45 0 N-CA-C 105.45 -2.056 . . . . 0.0 105.45 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -104.75 109.67 21.7 Favored 'General case' 0 C--N 1.281 -2.371 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -177.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1642 ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 5.1 t -138.95 141.35 29.92 Favored Pre-proline 0 C--N 1.312 -1.047 0 CA-C-O 121.546 0.688 . . . . 0.0 112.353 -175.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1643 ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' 1642 ' ' THR . 14.5 Cg_exo -70.78 -10.0 26.87 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 123.505 2.803 . . . . 0.0 111.523 173.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.11 -10.61 59.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.034 0.445 . . . . 0.0 111.0 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.77 12.07 33.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.743 0.783 . . . . 0.0 109.922 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 65.2 m . . . . . 0 C--N 1.296 -1.746 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.104 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 87.7 mtp . . . . . 0 CA--C 1.503 -0.849 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 67.6 mttm -89.68 87.82 7.16 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 42.7 m -146.63 37.6 1.0 Allowed 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 8.4 p30 -131.85 15.68 4.78 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.625 -176.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -73.15 112.7 9.44 Favored 'General case' 0 N--CA 1.433 -1.29 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -112.67 77.04 1.01 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 13.4 t70 -101.91 97.65 7.98 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 -176.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -87.5 -67.43 0.82 Allowed 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -170.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 96.8 m 56.89 62.2 2.34 Favored 'General case' 0 C--O 1.249 1.074 0 CA-C-O 121.456 0.646 . . . . 0.0 110.324 -172.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1517 ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' 1527 ' ' PHE . 21.3 pt20 -148.37 139.55 23.29 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -178.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 57.4 t -130.68 132.73 64.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 19.5 m -99.71 136.34 39.78 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 41.6 t30 -104.91 106.29 54.66 Favored Pre-proline 0 C--N 1.314 -0.967 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 174.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.43 -26.8 55.39 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 124.029 3.153 . . . . 0.0 113.937 -176.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.8 m -60.15 -50.87 71.98 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 122.659 0.384 . . . . 0.0 111.146 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 8.5 p -98.08 -27.24 14.3 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 121.611 0.72 . . . . 0.0 111.896 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 90.51 1.97 73.77 Favored Glycine 0 N--CA 1.441 -0.973 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -175.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -77.23 139.42 39.86 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 124.003 0.921 . . . . 0.0 111.266 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 66.9 tp -105.95 127.16 52.96 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.134 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' 1517 ' ' GLN . 72.0 m-85 -97.45 106.57 18.91 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 175.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.4 p30 -122.29 149.79 43.23 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 92.2 mt -116.3 26.68 9.74 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 121.37 0.605 . . . . 0.0 109.915 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 18.4 m -68.62 -29.9 68.51 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.182 -175.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 7.7 p -72.85 -22.14 60.83 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.982 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 86.2 mt -99.69 -2.6 34.96 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.68 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 17.6 t -76.64 138.34 40.01 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -152.63 153.99 25.23 Favored Glycine 0 CA--C 1.498 -0.991 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -84.1 -40.3 18.45 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.199 0.523 . . . . 0.0 109.922 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -83.96 -20.17 33.37 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 67.7 -134.73 30.36 Favored Glycine 0 N--CA 1.434 -1.449 0 CA-C-N 114.152 -1.385 . . . . 0.0 113.52 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 55.8 t80 -130.12 132.84 46.28 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 26.7 m -108.04 110.67 22.42 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -97.74 128.05 44.12 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.619 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -88.48 119.79 29.25 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 121.222 0.534 . . . . 0.0 110.152 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 91.0 t80 -90.51 131.03 36.48 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.957 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -66.94 84.08 0.12 Allowed 'General case' 0 C--O 1.243 0.755 0 C-N-CA 124.393 1.077 . . . . 0.0 112.317 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 23.6 tptm 174.07 -28.32 0.0 OUTLIER 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 125.79 1.636 . . . . 0.0 107.489 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 115.1 45.93 0.61 Allowed Glycine 0 N--CA 1.43 -1.762 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.818 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 97.4 m95 -132.0 132.81 43.78 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -102.38 120.0 6.66 Favored Glycine 0 N--CA 1.431 -1.693 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 44.1 t -93.15 114.15 29.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -93.64 104.67 16.76 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 107.848 -1.168 . . . . 0.0 107.848 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 23.1 ptm -126.05 125.19 42.2 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 120.938 0.399 . . . . 0.0 111.049 -176.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 69.0 m -107.02 130.66 54.62 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.105 176.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 50.9 mm -78.9 104.4 6.82 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 85.3 m 64.85 81.68 0.2 Allowed 'General case' 0 C--N 1.316 -0.858 0 O-C-N 124.526 1.141 . . . . 0.0 112.125 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 153.32 -176.28 31.43 Favored Glycine 0 N--CA 1.414 -2.783 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.05 176.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1555 ' ' GLU . . . . . 0.48 ' OE1' ' HA ' ' A' 1561 ' ' PRO . 0.0 OUTLIER -104.61 133.54 49.29 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.609 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.519 ' HB3' ' SG ' ' A' 1559 ' ' CYS . 23.1 t-20 -80.34 139.04 36.76 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.049 -172.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -55.91 -28.83 58.54 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.116 1.366 . . . . 0.0 113.618 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -89.62 -15.06 33.57 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 121.962 0.887 . . . . 0.0 109.598 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1559 ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' 1556 ' ' ASN . 92.6 m -94.52 154.24 40.19 Favored Pre-proline 0 C--N 1.299 -1.607 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.948 -177.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -64.0 139.68 68.7 Favored 'Trans proline' 0 C--O 1.246 0.88 0 C-N-CA 122.13 1.887 . . . . 0.0 109.443 173.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1561 ' ' PRO . . . . . 0.48 ' HA ' ' OE1' ' A' 1555 ' ' GLU . 6.7 Cg_endo -47.54 104.16 0.07 OUTLIER 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 124.25 3.3 . . . . 0.0 114.379 -175.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 126.48 -19.71 6.26 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.143 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 86.9 t -88.97 131.21 36.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -95.73 -25.06 13.98 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.569 -0.824 . . . . 0.0 113.361 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -142.89 131.56 22.58 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.755 0.312 . . . . 0.0 110.862 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 78.2 m -125.58 133.69 52.19 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.123 0.487 . . . . 0.0 110.344 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 44.0 t80 -98.29 114.31 26.55 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.854 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 81.3 179.77 53.16 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 115.1 0.8 . . . . 0.0 115.1 171.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.77 -25.96 65.87 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 124.496 1.118 . . . . 0.0 112.579 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 16.3 m -80.92 -6.55 58.82 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 122.044 0.926 . . . . 0.0 108.926 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 58.57 44.49 17.6 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 113.978 -1.465 . . . . 0.0 111.824 172.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.67 117.15 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.576 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 14.7 p -62.11 119.03 8.15 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-O 121.239 0.542 . . . . 0.0 111.37 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.431 HG23 ' HB3' ' A' 1606 ' ' TYR . 10.7 p -117.17 31.74 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 CA-C-O 123.182 1.468 . . . . 0.0 108.614 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 153.01 127.77 1.25 Allowed Glycine 0 N--CA 1.421 -2.325 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.908 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 48.4 tptt -76.86 149.19 36.16 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -61.39 104.92 0.45 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.264 0.554 . . . . 0.0 110.928 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -114.66 153.47 30.15 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.818 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 21.2 pttm -133.18 15.63 4.16 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 121.472 0.653 . . . . 0.0 110.624 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -82.77 91.54 7.06 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.397 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.445 HD12 ' HB3' ' A' 1588 ' ' LEU . 57.5 tp -86.68 119.27 26.74 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -107.23 135.16 49.22 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 39.1 t80 -105.85 100.84 10.38 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 16.5 m -131.69 124.22 53.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.559 -175.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 34.2 t70 60.49 39.14 18.6 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 122.323 1.058 . . . . 0.0 110.735 176.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 64.9 22.64 12.51 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.062 1.345 . . . . 0.0 112.593 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 57.4 t -125.51 135.52 63.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.508 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 96.8 mt -90.19 132.03 35.7 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 175.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -130.59 129.49 42.82 Favored 'General case' 0 C--N 1.282 -2.354 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.746 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 49.6 mt -115.17 123.6 49.32 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.751 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 57.9 t -113.71 112.82 41.89 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 CA-C-O 121.302 0.572 . . . . 0.0 109.527 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -92.49 87.93 6.16 Favored 'General case' 0 C--N 1.289 -2.03 0 CA-C-O 122.03 0.919 . . . . 0.0 108.701 176.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 20.7 pttp -82.63 171.24 14.26 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 113.42 -1.718 . . . . 0.0 111.447 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 37.8 t70 57.6 80.72 0.16 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.222 1.409 . . . . 0.0 112.572 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -109.28 -154.0 15.51 Favored Glycine 0 C--N 1.293 -1.822 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 176.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 28.1 m -71.96 126.44 91.32 Favored Pre-proline 0 C--N 1.297 -1.679 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -54.56 122.51 11.7 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.777 2.318 . . . . 0.0 110.366 174.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 58.2 m -67.31 117.66 48.81 Favored Pre-proline 0 C--N 1.309 -1.183 0 C-N-CA 123.285 0.634 . . . . 0.0 109.616 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.62 -30.86 29.88 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 124.045 3.163 . . . . 0.0 114.043 -178.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 25.1 t -93.87 -19.66 20.77 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 111.424 0.157 . . . . 0.0 111.424 -178.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -121.04 106.66 11.79 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.113 0.483 . . . . 0.0 112.074 -175.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 22.7 t -69.36 125.81 27.85 Favored 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 97.24 -15.1 62.88 Favored Glycine 0 N--CA 1.431 -1.636 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.263 177.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 80.2 mt -107.95 151.05 26.32 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 117.106 0.453 . . . . 0.0 111.227 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 77.9 p -137.04 157.52 46.53 Favored 'General case' 0 N--CA 1.429 -1.497 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.173 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.431 ' HB3' HG23 ' A' 1574 ' ' VAL . 98.5 m-85 -67.94 118.08 10.66 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.004 178.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -126.09 147.71 49.52 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.874 -174.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 44.6 m -112.04 125.9 54.59 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.04 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 84.1 t -113.33 111.68 37.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 52.4 mt -102.96 121.94 54.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 27.9 t -107.78 110.48 22.29 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.508 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 87.2 m-85 -94.31 99.59 11.78 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.6 t -80.66 131.49 33.86 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.984 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 15.6 t -70.55 90.53 0.75 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.713 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -121.5 99.06 45.69 Favored Pre-proline 0 C--N 1.299 -1.612 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -67.63 -23.63 42.49 Favored 'Trans proline' 0 C--O 1.244 0.779 0 C-N-CA 122.083 1.855 . . . . 0.0 109.344 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -88.24 40.26 0.94 Allowed 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 126.018 1.727 . . . . 0.0 108.715 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -72.57 132.33 43.64 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.057 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -112.93 -133.48 5.89 Favored Glycine 0 N--CA 1.427 -1.904 0 N-CA-C 110.269 -1.133 . . . . 0.0 110.269 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -71.82 -0.32 8.22 Favored 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 122.91 2.407 . . . . 0.0 111.04 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 9.1 p -83.76 16.5 2.71 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 125.126 1.37 . . . . 0.0 111.982 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 9.0 p30 -83.53 37.55 0.58 Allowed 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 122.395 1.093 . . . . 0.0 109.656 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 40.3 mtm105 -142.41 157.81 61.99 Favored Pre-proline 0 C--N 1.299 -1.612 0 N-CA-C 104.956 -2.239 . . . . 0.0 104.956 -176.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.444 ' HD3' ' CZ3' ' A' 1640 ' ' TRP . 54.1 Cg_endo -75.04 121.31 6.48 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 120.828 1.019 . . . . 0.0 110.579 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 63.0 mtp -102.51 130.89 49.47 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.4 tt -81.1 100.73 9.19 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 -177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.3 mm -86.06 -42.74 16.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -175.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 35.0 t -140.23 126.3 19.71 Favored 'General case' 0 N--CA 1.421 -1.921 0 C-N-CA 120.146 -0.622 . . . . 0.0 109.912 -177.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.55 113.89 27.75 Favored 'General case' 0 N--CA 1.435 -1.206 0 N-CA-C 105.701 -1.962 . . . . 0.0 105.701 176.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.1 t70 -112.34 110.65 21.0 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 120.939 0.4 . . . . 0.0 110.31 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 67.3 mttm -84.21 -29.74 26.31 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.108 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -62.9 -45.51 92.19 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -174.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 17.6 p -111.71 11.99 21.06 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-O 121.307 0.575 . . . . 0.0 111.088 178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 59.0 m 56.5 53.05 9.02 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.577 -1.192 . . . . 0.0 112.14 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 38.1 m -126.1 125.9 43.31 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.836 -0.54 . . . . 0.0 110.814 -177.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.67 123.31 47.38 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -99.67 114.13 27.01 Favored 'General case' 0 C--O 1.252 1.198 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.564 -178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -110.96 130.85 55.46 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.755 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 44.3 t -108.76 128.55 54.98 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1640 ' ' TRP . . . . . 0.444 ' CZ3' ' HD3' ' A' 1624 ' ' PRO . 2.2 t-105 -119.44 128.82 54.38 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 18.1 m170 -97.51 101.84 13.47 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.8 t -127.75 141.4 40.94 Favored Pre-proline 0 N--CA 1.431 -1.393 0 CA-C-O 121.149 0.499 . . . . 0.0 110.766 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -81.79 0.13 10.04 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 122.865 2.377 . . . . 0.0 110.854 174.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 97.0 mt -84.68 -5.2 59.3 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-O 121.353 0.597 . . . . 0.0 110.589 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -97.77 9.64 42.12 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 63.7 m -119.19 155.95 30.74 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.055 -175.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -120.05 112.25 18.9 Favored 'General case' 0 N--CA 1.427 -1.613 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 175.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 37.7 tp -73.11 98.92 2.67 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.529 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.919 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1509 ' ' LYS . . . . . 0.449 ' O ' ' HB2' ' A' 1512 ' ' GLU . 4.6 tppp? -88.44 136.24 33.08 Favored 'General case' 0 N--CA 1.431 -1.375 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 177.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 6.9 t -75.19 126.93 32.04 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 105.111 -2.181 . . . . 0.0 105.111 173.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 4.6 m-20 72.99 45.97 0.26 Allowed 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.755 0.788 . . . . 0.0 109.543 -173.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1512 ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' 1509 ' ' LYS . 31.3 tt0 -85.1 104.15 14.74 Favored 'General case' 0 C--O 1.245 0.861 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 178.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 21.0 t60 -121.69 131.39 54.07 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -174.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -78.67 122.01 25.42 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 177.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -117.71 -67.39 0.99 Allowed 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.134 -176.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 39.0 m 62.55 62.06 1.16 Allowed 'General case' 0 C--O 1.256 1.443 0 CA-C-O 122.314 1.055 . . . . 0.0 110.558 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -140.08 139.6 35.92 Favored 'General case' 0 N--CA 1.425 -1.686 0 CA-C-N 113.979 -1.464 . . . . 0.0 108.994 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1518 ' ' VAL . . . . . 0.403 HG23 HD13 ' A' 1581 ' ' LEU . 96.2 t -117.75 125.43 74.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 16.8 m -107.36 113.73 27.3 Favored 'General case' 0 N--CA 1.426 -1.673 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1520 ' ' ASN . . . . . 0.421 HD21 ' HG2' ' A' 1647 ' ' GLU . 93.7 m-20 -100.85 107.02 47.46 Favored Pre-proline 0 C--N 1.3 -1.557 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -65.58 -15.42 49.39 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.838 2.358 . . . . 0.0 111.761 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 1.6 p -61.66 -48.64 79.91 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 124.081 0.952 . . . . 0.0 111.344 177.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 3.2 p -104.3 -22.67 13.32 Favored 'General case' 0 N--CA 1.433 -1.309 0 CA-C-O 121.157 0.503 . . . . 0.0 111.856 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 83.71 28.62 34.7 Favored Glycine 0 N--CA 1.44 -1.062 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.784 178.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -118.06 151.2 37.98 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-O 120.748 0.309 . . . . 0.0 111.489 -177.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 64.5 tp -107.04 110.3 22.39 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.257 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.53 ' CZ ' ' HA ' ' A' 1647 ' ' GLU . 72.7 m-85 -101.37 126.05 48.09 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -127.0 149.28 49.97 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.737 -174.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 91.7 mt -109.17 6.12 24.5 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 115.331 -0.85 . . . . 0.0 108.967 172.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.1 p -71.08 -26.01 62.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.073 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 34.5 m -71.45 -8.95 57.17 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.293 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 87.0 mt -110.64 8.6 22.79 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 18.4 t -91.11 155.44 18.64 Favored 'General case' 0 N--CA 1.433 -1.316 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.79 -174.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -174.64 147.0 8.84 Favored Glycine 0 N--CA 1.432 -1.58 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1535 ' ' ARG . . . . . 0.465 ' O ' ' HA ' ' A' 1556 ' ' ASN . 31.1 mtm180 -68.31 -31.24 70.53 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 118.148 0.974 . . . . 0.0 111.695 -175.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -85.25 -10.17 56.85 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-O 121.464 0.65 . . . . 0.0 110.446 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 60.42 -136.81 49.19 Favored Glycine 0 N--CA 1.431 -1.687 0 CA-C-N 114.561 -1.199 . . . . 0.0 113.102 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 86.7 t80 -134.04 133.08 40.8 Favored 'General case' 0 C--N 1.285 -2.198 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 29.4 m -105.42 110.25 22.53 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-O 121.265 0.555 . . . . 0.0 109.898 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -105.6 106.57 17.14 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.809 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -84.72 116.61 23.33 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -99.7 147.63 25.22 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-O 121.089 0.471 . . . . 0.0 110.383 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -83.62 49.69 1.64 Allowed 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.3 -174.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 23.5 tptm -135.19 10.39 3.53 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 107.01 -8.27 38.73 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.749 -0.738 . . . . 0.0 114.344 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 21.0 m-90 -134.17 141.25 47.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.692 0.758 . . . . 0.0 112.913 -177.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -111.64 147.87 18.01 Favored Glycine 0 N--CA 1.429 -1.791 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 174.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 47.0 t -113.89 123.88 69.99 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 CA-C-N 117.302 0.551 . . . . 0.0 110.172 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1549 ' ' TYR . . . . . 0.419 ' HB2' ' SG ' ' A' 1566 ' ' CYS . 49.5 m-85 -94.1 104.27 16.3 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 174.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.9 ptm -123.0 128.03 49.63 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-O 120.934 0.397 . . . . 0.0 111.584 -174.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 37.6 t -102.13 132.81 47.79 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 2.4 mp -87.69 110.07 20.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 28.3 t 72.33 94.92 0.07 Allowed 'General case' 0 C--O 1.239 0.535 0 C-N-CA 124.487 1.115 . . . . 0.0 111.267 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 120.07 -166.37 13.57 Favored Glycine 0 N--CA 1.43 -1.712 0 C-N-CA 120.435 -0.888 . . . . 0.0 111.376 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1555 ' ' GLU . . . . . 0.409 ' HA ' ' HA2' ' A' 1564 ' ' GLY . 11.4 pt-20 -107.67 145.45 33.37 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 120.857 0.361 . . . . 0.0 110.27 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.465 ' HA ' ' O ' ' A' 1535 ' ' ARG . 46.0 t-20 -88.87 132.79 34.52 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -177.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -73.32 -14.32 61.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.165 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 15.2 m120 -92.54 -1.13 57.16 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.426 0.632 . . . . 0.0 109.747 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 73.4 m -119.64 165.01 18.78 Favored Pre-proline 0 C--N 1.303 -1.45 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -55.12 154.33 23.03 Favored 'Trans proline' 0 CA--C 1.551 1.335 0 C-N-CA 122.526 2.15 . . . . 0.0 112.051 176.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.31 123.62 14.28 Favored 'Trans proline' 0 C--O 1.249 1.035 0 C-N-CA 123.344 2.696 . . . . 0.0 112.605 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 95.13 -8.56 69.94 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.991 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 79.8 t -89.1 125.23 42.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.233 0 CA-C-O 120.965 0.412 . . . . 0.0 111.415 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1564 ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' 1555 ' ' GLU . . . -82.99 -32.43 26.39 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.118 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -148.25 134.16 19.09 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1566 ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' 1549 ' ' TYR . 21.5 p -121.56 133.65 55.02 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.33 0.586 . . . . 0.0 110.729 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 79.4 t80 -95.31 124.11 39.18 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.902 -175.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 79.94 171.46 42.53 Favored Glycine 0 N--CA 1.431 -1.678 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.703 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -83.44 -0.37 49.74 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 121.214 0.53 . . . . 0.0 110.485 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 26.0 m -84.15 -3.92 58.45 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-O 122.135 0.969 . . . . 0.0 109.065 173.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 60.27 39.18 19.33 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 114.867 -1.061 . . . . 0.0 112.06 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 79.2 mt -71.86 114.89 11.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 32.0 p -63.25 114.34 3.74 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 121.218 0.532 . . . . 0.0 111.623 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.406 HG22 ' HB3' ' A' 1606 ' ' TYR . 12.8 p -104.93 20.14 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-O 122.472 1.129 . . . . 0.0 109.626 -178.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 156.41 143.99 3.81 Favored Glycine 0 N--CA 1.425 -2.082 0 CA-C-N 114.797 -1.092 . . . . 0.0 113.225 173.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -79.16 158.38 27.71 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 123.593 0.757 . . . . 0.0 109.514 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -67.48 86.14 0.18 Allowed 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 124.355 1.062 . . . . 0.0 111.827 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.59 151.29 19.78 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.81 11.2 7.78 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.36 0.6 . . . . 0.0 110.441 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -76.47 93.15 3.48 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.589 -177.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.403 HD13 HG23 ' A' 1518 ' ' VAL . 0.4 OUTLIER -86.35 122.91 30.98 Favored 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.677 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1582 ' ' ARG . . . . . 0.523 ' NH2' ' HG2' ' A' 1589 ' ' GLN . 89.2 mtm180 -109.01 126.44 53.13 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 -179.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 56.3 t80 -116.51 102.18 9.26 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 6.2 m -140.8 144.24 27.32 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.788 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 53.0 m-20 53.44 37.03 24.63 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.469 1.107 . . . . 0.0 113.48 174.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 2.3 mp0 61.0 29.29 18.92 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.651 0.78 . . . . 0.0 111.699 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1587 ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' 1612 ' ' PHE . 5.5 p -135.14 123.93 40.95 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 CA-C-O 121.324 0.583 . . . . 0.0 110.285 176.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.489 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 84.4 mt -84.01 126.93 33.52 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 175.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1589 ' ' GLN . . . . . 0.523 ' HG2' ' NH2' ' A' 1582 ' ' ARG . 26.2 tt0 -129.6 125.33 35.93 Favored 'General case' 0 C--N 1.281 -2.37 0 C-N-CA 119.231 -0.988 . . . . 0.0 111.802 -176.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 55.5 mt -113.44 152.92 29.46 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.566 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.1 p -140.39 128.26 24.31 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -105.07 105.33 15.32 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 172.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 26.4 pttm -108.4 175.34 5.51 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.014 -174.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 11.0 t70 61.54 45.17 8.48 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.775 1.23 . . . . 0.0 112.854 172.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -83.89 -139.56 4.06 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.518 177.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1596 ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' 1605 ' ' SER . 35.7 m -67.18 147.84 98.91 Favored Pre-proline 0 C--N 1.307 -1.248 0 C-N-CA 123.157 0.583 . . . . 0.0 110.724 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -69.11 134.57 29.7 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.587 2.191 . . . . 0.0 110.762 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 84.1 m -74.43 126.89 88.4 Favored Pre-proline 0 C--N 1.297 -1.695 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.875 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -73.53 -7.84 20.83 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.628 2.219 . . . . 0.0 111.263 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 6.9 m -84.66 -32.95 23.35 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.45 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 27.0 tptp -160.04 101.76 1.44 Allowed 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.13 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 11.5 m -56.68 133.73 54.13 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 175.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 114.15 -28.1 8.59 Favored Glycine 0 C--N 1.299 -1.505 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -176.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 81.7 mt -92.62 150.35 20.77 Favored 'General case' 0 N--CA 1.434 -1.259 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 176.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1605 ' ' SER . . . . . 0.427 ' HA ' ' O ' ' A' 1596 ' ' SER . 14.5 m -132.56 142.01 48.97 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -177.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.492 ' CD2' ' HB3' ' A' 1634 ' ' CYS . 76.3 m-85 -56.14 131.23 47.13 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.168 0.587 . . . . 0.0 112.378 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1607 ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' 1635 ' ' THR . 56.0 mtpt -129.35 143.6 50.91 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 124.331 1.052 . . . . 0.0 110.53 -177.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 37.0 m -119.07 123.31 44.16 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 175.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 90.1 t -107.95 116.11 50.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 45.6 mt -106.39 113.55 43.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 21.6 t -103.22 111.34 23.69 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.489 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 73.8 m-85 -94.38 98.7 11.08 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 58.3 t -82.65 135.69 24.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1614 ' ' CYS . . . . . 0.469 ' HA ' ' O ' ' A' 1642 ' ' THR . 50.1 t -67.37 121.12 15.07 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.112 -176.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -134.07 90.35 26.45 Favored Pre-proline 0 C--N 1.306 -1.32 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -52.41 -33.42 56.63 Favored 'Trans proline' 0 N--CA 1.483 0.877 0 C-N-CA 123.864 3.043 . . . . 0.0 114.192 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -91.96 9.76 31.76 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 122.118 -0.364 . . . . 0.0 111.781 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . 66.19 175.13 0.23 Allowed 'General case' 0 C--O 1.245 0.856 0 C-N-CA 124.312 1.045 . . . . 0.0 111.628 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -107.74 137.87 14.26 Favored Glycine 0 N--CA 1.422 -2.27 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -59.96 -28.89 88.1 Favored 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 123.049 2.5 . . . . 0.0 113.632 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 11.4 m -104.17 -38.06 7.05 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 49.7 t-20 59.11 67.56 0.9 Allowed 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.982 0.896 . . . . 0.0 109.396 177.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -151.15 162.12 27.76 Favored Pre-proline 0 C--N 1.315 -0.932 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.505 ' HA ' ' O ' ' A' 1639 ' ' SER . 67.4 Cg_endo -83.4 122.82 3.27 Favored 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 121.667 1.578 . . . . 0.0 111.267 175.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 86.8 mtp -95.81 139.71 31.64 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.653 -0.655 . . . . 0.0 109.36 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.4 tt -82.52 114.9 21.25 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -175.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.7 mm -93.04 -52.84 9.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.692 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 26.5 t -137.7 143.0 41.06 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.06 95.8 4.8 Favored 'General case' 0 N--CA 1.424 -1.751 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 -176.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -97.77 100.26 11.63 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 176.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -84.06 -13.24 53.63 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.162 -176.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -82.31 -42.36 18.88 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -175.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 36.4 p -102.18 -0.22 33.54 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 122.151 0.977 . . . . 0.0 109.805 176.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1634 ' ' CYS . . . . . 0.492 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 37.8 m 63.67 63.84 0.83 Allowed 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 113.056 -1.884 . . . . 0.0 111.543 175.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1635 ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' 1607 ' ' LYS . 39.3 m -138.09 118.6 13.86 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 121.213 0.53 . . . . 0.0 110.178 179.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 7.0 mp -102.1 134.91 44.58 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.611 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -106.74 116.63 32.25 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.223 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -113.2 141.68 46.67 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1639 ' ' SER . . . . . 0.505 ' O ' ' HA ' ' A' 1624 ' ' PRO . 37.4 p -120.71 127.67 52.24 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 120.936 0.398 . . . . 0.0 111.024 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 8.4 t-105 -119.07 147.61 43.94 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -118.65 113.32 21.02 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 118.243 0.474 . . . . 0.0 110.002 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1642 ' ' THR . . . . . 0.469 ' O ' ' HA ' ' A' 1614 ' ' CYS . 11.9 t -140.45 147.07 47.95 Favored Pre-proline 0 C--N 1.313 -0.996 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.024 -175.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.41 -4.32 14.56 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 123.338 2.692 . . . . 0.0 112.058 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 71.4 mt -78.01 -7.63 57.12 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.335 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -93.04 14.53 17.51 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 121.064 0.459 . . . . 0.0 111.889 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 63.5 m -131.59 157.39 43.78 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 174.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1647 ' ' GLU . . . . . 0.53 ' HA ' ' CZ ' ' A' 1527 ' ' PHE . 42.4 mt-10 -76.5 76.26 3.22 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-O 121.72 0.771 . . . . 0.0 110.812 178.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 60.8 tp -70.01 128.61 36.93 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 114.052 -1.431 . . . . 0.0 109.886 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.619 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.364 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 48.9 mmtm -80.98 71.86 7.96 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 122.837 0.455 . . . . 0.0 109.967 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1510 ' ' SER . . . . . 0.507 ' HA ' ' NH2' ' A' 1580 ' ' ARG . 29.1 t -131.74 -11.22 3.47 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-O 120.966 0.412 . . . . 0.0 110.884 178.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -162.2 38.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 -176.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -99.06 -48.09 4.99 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.868 -177.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -159.92 64.22 0.35 Allowed 'General case' 0 CA--C 1.486 -1.491 0 N-CA-C 102.94 -2.985 . . . . 0.0 102.94 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -123.05 55.74 1.19 Allowed 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.774 -167.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 20.3 t70 -107.21 44.27 1.09 Allowed 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 67.8 m 64.01 49.64 2.71 Favored 'General case' 0 C--O 1.247 0.953 0 CA-C-N 114.086 -1.415 . . . . 0.0 111.597 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1517 ' ' GLN . . . . . 0.461 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.6 pt20 -146.23 128.64 15.91 Favored 'General case' 0 N--CA 1.406 -2.671 0 CA-C-N 112.986 -1.916 . . . . 0.0 106.428 175.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 24.6 t -125.68 132.79 70.42 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 28.0 m -87.8 122.72 31.79 Favored 'General case' 0 N--CA 1.423 -1.802 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 46.2 t30 -95.66 105.73 22.63 Favored Pre-proline 0 C--N 1.307 -1.276 0 N-CA-C 108.839 -0.801 . . . . 0.0 108.839 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.99 -4.13 14.22 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.373 2.716 . . . . 0.0 113.274 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.2 m -68.9 -49.63 56.52 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-O 121.225 0.536 . . . . 0.0 109.714 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 15.0 p -119.96 -10.92 9.38 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -175.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 83.53 28.01 37.28 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.857 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1525 ' ' HIS . . . . . 0.43 ' ND1' ' HB2' ' A' 1647 ' ' GLU . 17.7 m80 -103.75 136.85 42.67 Favored 'General case' 0 C--N 1.311 -1.09 0 O-C-N 122.454 -0.439 . . . . 0.0 111.27 178.359 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 66.0 tp -100.05 105.52 17.18 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.174 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' 1517 ' ' GLN . 99.1 m-85 -84.6 106.76 16.41 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.6 p30 -117.9 144.25 45.61 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-O 121.501 0.667 . . . . 0.0 110.794 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 95.1 mt -120.94 21.86 11.24 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 174.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 15.0 m -68.85 -26.41 65.14 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.061 -1.427 . . . . 0.0 110.511 -175.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 5.3 p -72.9 -26.05 61.28 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.623 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 91.9 mt -93.83 -1.91 54.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.78 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 19.5 t -66.06 141.85 58.0 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.201 0.524 . . . . 0.0 110.902 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -170.63 134.99 3.32 Favored Glycine 0 N--CA 1.432 -1.616 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1535 ' ' ARG . . . . . 0.449 ' O ' ' HA ' ' A' 1556 ' ' ASN . 55.9 mtm180 -84.37 -20.39 32.03 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -86.5 -34.17 20.11 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1537 ' ' GLY . . . . . 0.498 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 66.74 -131.04 31.34 Favored Glycine 0 N--CA 1.43 -1.706 0 CA-C-N 113.957 -1.474 . . . . 0.0 112.705 176.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -139.94 136.4 33.79 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 32.7 m -88.0 107.93 18.97 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -87.35 114.58 24.08 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -117.3 118.69 32.96 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.771 -176.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 29.8 p90 -132.17 170.12 15.45 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 118.895 -0.574 . . . . 0.0 110.933 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -54.42 -39.68 67.55 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -173.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -97.15 17.94 16.04 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.528 -177.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 169.8 85.27 0.06 OUTLIER Glycine 0 N--CA 1.437 -1.246 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 11.1 p90 -82.62 68.1 8.94 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.773 0.797 . . . . 0.0 113.007 -177.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . 147.58 90.88 0.1 OUTLIER Glycine 0 N--CA 1.431 -1.69 0 C-N-CA 119.284 -1.436 . . . . 0.0 114.369 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 22.0 t -121.03 116.45 49.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 N-CA-C 105.91 -1.885 . . . . 0.0 105.91 169.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -91.29 108.38 19.84 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1550 ' ' MET . . . . . 0.498 ' O ' ' HA3' ' A' 1537 ' ' GLY . 23.1 ptp -112.18 126.95 55.76 Favored 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.137 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 30.4 t -89.43 143.62 26.68 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 2.8 mp -103.3 105.92 19.19 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.11 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 41.9 t 71.92 81.76 0.14 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.298 0.999 . . . . 0.0 111.19 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 129.82 -152.6 19.69 Favored Glycine 0 N--CA 1.434 -1.498 0 C-N-CA 120.096 -1.05 . . . . 0.0 112.256 177.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.44 157.63 17.22 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 123.408 0.683 . . . . 0.0 111.187 -179.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.449 ' HA ' ' O ' ' A' 1535 ' ' ARG . 15.8 m120 -85.24 129.4 34.81 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 175.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.55 -15.61 61.29 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.3 -177.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -101.94 15.79 27.95 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.589 0.709 . . . . 0.0 110.478 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 99.4 m -130.37 165.0 37.27 Favored Pre-proline 0 C--N 1.294 -1.819 0 CA-C-N 115.267 -0.878 . . . . 0.0 108.835 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -49.91 131.73 30.51 Favored 'Trans proline' 0 C--O 1.249 1.042 0 C-N-CA 122.546 2.164 . . . . 0.0 111.327 173.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.1 99.73 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.224 0 C-N-CA 123.19 2.593 . . . . 0.0 111.419 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 141.03 -19.48 2.7 Favored Glycine 0 N--CA 1.43 -1.732 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.29 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 45.5 t -88.36 132.83 32.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -106.09 -7.61 35.23 Favored Glycine 0 CA--C 1.507 -0.457 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.706 -177.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -160.24 129.7 5.12 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 92.1 m -118.95 133.31 55.91 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.057 0.456 . . . . 0.0 111.196 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 76.3 t80 -107.49 128.97 54.98 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 89.65 177.14 45.52 Favored Glycine 0 N--CA 1.427 -1.965 0 C-N-CA 120.705 -0.759 . . . . 0.0 113.605 173.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -77.27 -24.08 51.08 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 123.289 0.636 . . . . 0.0 110.94 -176.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 26.4 m -82.89 -12.0 57.75 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-O 122.009 0.909 . . . . 0.0 109.932 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 67.63 56.81 0.57 Allowed 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.093 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 71.9 mt -72.35 131.41 34.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.044 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 16.6 p -68.4 110.41 4.11 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -176.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.405 HG23 ' HB3' ' A' 1606 ' ' TYR . 13.2 p -106.03 31.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 CA-C-O 123.211 1.481 . . . . 0.0 107.926 178.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 144.83 143.55 4.02 Favored Glycine 0 N--CA 1.426 -1.98 0 CA-C-N 113.834 -1.53 . . . . 0.0 112.912 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 76.1 mmtt -82.28 158.6 23.41 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -57.45 131.39 49.99 Favored 'General case' 0 C--N 1.31 -1.133 0 O-C-N 124.301 1.001 . . . . 0.0 109.632 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 58.1 t30 -146.38 144.2 29.58 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -176.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 55.0 mttp -126.76 15.05 7.51 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.445 0.641 . . . . 0.0 109.372 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1580 ' ' ARG . . . . . 0.507 ' NH2' ' HA ' ' A' 1510 ' ' SER . 11.0 tpp180 -80.23 91.15 5.56 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' 1588 ' ' LEU . 1.9 tt -88.72 126.33 35.27 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 -178.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -116.17 135.49 53.87 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 54.5 p90 -106.59 101.01 10.5 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1584 ' ' VAL . . . . . 0.411 ' O ' HG22 ' A' 1587 ' ' VAL . 17.7 m -127.55 128.94 70.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.049 -176.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 32.3 t70 55.76 43.75 27.32 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 122.412 1.101 . . . . 0.0 110.444 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 26.0 mp0 61.33 17.25 8.12 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 114.104 -1.407 . . . . 0.0 114.76 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1587 ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' 1584 ' ' VAL . 15.6 m -121.29 150.86 24.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 174.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.45 ' HB3' HD21 ' A' 1581 ' ' LEU . 87.4 mt -97.93 129.3 44.85 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -122.77 132.83 54.4 Favored 'General case' 0 C--N 1.293 -1.868 0 C-N-CA 120.27 -0.572 . . . . 0.0 112.207 -176.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 66.5 mt -120.01 122.98 42.34 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 171.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 10.5 p -115.92 136.19 53.62 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -110.73 96.49 6.21 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -102.6 176.81 5.04 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.711 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 33.2 m-20 69.48 38.45 1.78 Allowed 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.525 1.13 . . . . 0.0 112.715 177.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -89.31 -143.64 10.01 Favored Glycine 0 C--O 1.249 1.059 0 N-CA-C 111.739 -0.544 . . . . 0.0 111.739 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1596 ' ' SER . . . . . 0.404 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 47.3 m -73.95 126.29 89.51 Favored Pre-proline 0 C--N 1.306 -1.317 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1597 ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' 1596 ' ' SER . 19.9 Cg_exo -67.05 153.6 77.24 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 123.004 2.469 . . . . 0.0 114.108 -177.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 66.7 m -121.21 151.29 55.51 Favored Pre-proline 0 C--N 1.312 -1.04 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.896 -178.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.05 3.9 3.1 Favored 'Trans proline' 0 N--CA 1.484 0.922 0 C-N-CA 123.313 2.675 . . . . 0.0 113.187 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 6.0 m -63.87 -19.97 65.47 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.746 1.218 . . . . 0.0 112.539 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 31.0 mmmt 73.1 -62.72 0.46 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.555 1.142 . . . . 0.0 112.047 -177.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 39.6 t -89.64 112.27 23.47 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 88.34 42.97 5.71 Favored Glycine 0 N--CA 1.424 -2.115 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.34 87.39 6.15 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-O 122.004 0.907 . . . . 0.0 112.957 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 30.5 t -177.41 123.78 0.13 Allowed 'General case' 0 N--CA 1.432 -1.335 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.266 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.405 ' HB3' HG23 ' A' 1574 ' ' VAL . 27.5 m-85 -66.76 120.18 13.08 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 165.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -140.42 147.03 39.08 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.284 0.564 . . . . 0.0 110.927 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 22.8 t -115.97 135.99 53.45 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 57.7 t -116.55 109.31 27.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 61.1 mt -97.89 112.23 29.48 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 16.2 m -105.2 114.67 28.99 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.23 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.427 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 79.0 m-85 -91.43 99.98 12.83 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1613 ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' 1641 ' ' HIS . 22.8 t -92.25 139.39 18.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1614 ' ' CYS . . . . . 0.591 ' HA ' ' O ' ' A' 1642 ' ' THR . 49.8 t -81.82 136.61 35.38 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.367 0.603 . . . . 0.0 112.016 -175.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -140.75 93.85 8.35 Favored Pre-proline 0 C--N 1.308 -1.212 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.658 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -60.89 -28.98 87.22 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 122.131 1.888 . . . . 0.0 110.118 171.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -100.12 42.05 1.13 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.019 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -55.33 135.76 49.75 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.107 0.963 . . . . 0.0 112.838 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -122.15 -138.49 5.38 Favored Glycine 0 N--CA 1.428 -1.881 0 N-CA-C 110.186 -1.166 . . . . 0.0 110.186 176.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -70.9 2.03 4.58 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.486 2.791 . . . . 0.0 112.739 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1621 ' ' THR . . . . . 0.498 ' HB ' ' CD2' ' A' 1641 ' ' HIS . 16.6 p -85.34 9.16 16.2 Favored 'General case' 0 N--CA 1.431 -1.375 0 C-N-CA 124.047 0.939 . . . . 0.0 112.124 -178.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 9.1 p30 -84.36 30.15 0.55 Allowed 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 122.394 1.092 . . . . 0.0 110.094 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1623 ' ' ARG . . . . . 0.402 ' H ' ' C ' ' A' 1621 ' ' THR . 60.5 mtm180 -136.13 139.56 30.46 Favored Pre-proline 0 C--N 1.297 -1.714 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 -177.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -67.47 121.73 8.87 Favored 'Trans proline' 0 C--O 1.249 1.075 0 C-N-CA 121.862 1.708 . . . . 0.0 111.401 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 73.2 mtm -129.16 147.62 51.02 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.268 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.5 tt -80.03 113.84 18.5 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.355 -174.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.7 mm -97.64 -43.82 12.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-O 120.833 0.349 . . . . 0.0 111.256 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 20.5 m -136.77 130.44 31.93 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.443 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -114.32 107.06 15.07 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 -179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.4 t70 -105.94 104.49 14.21 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -75.53 -32.39 60.44 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.263 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.27 -40.99 97.1 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -173.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 32.0 p -110.23 11.63 23.52 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 120.958 0.409 . . . . 0.0 111.952 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 59.1 m 56.41 47.83 18.15 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.227 1.011 . . . . 0.0 112.061 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 36.6 m -120.05 123.07 42.51 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-O 121.317 0.58 . . . . 0.0 111.059 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.2 mp -105.51 115.65 30.61 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.247 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -94.19 115.24 27.48 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.403 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.94 136.52 51.15 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 38.1 t -109.97 140.5 43.91 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1640 ' ' TRP . . . . . 0.4 ' O ' ' HA ' ' A' 1612 ' ' PHE . 2.2 t90 -130.91 126.8 37.07 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 105.0 -2.222 . . . . 0.0 105.0 177.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1641 ' ' HIS . . . . . 0.498 ' CD2' ' HB ' ' A' 1621 ' ' THR . 44.1 m-70 -106.1 108.43 19.94 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 119.755 -0.778 . . . . 0.0 110.145 -178.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1642 ' ' THR . . . . . 0.591 ' O ' ' HA ' ' A' 1614 ' ' CYS . 5.5 t -135.68 139.59 31.33 Favored Pre-proline 0 C--N 1.304 -1.413 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.575 -177.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1643 ' ' PRO . . . . . 0.414 ' HA ' ' SG ' ' A' 1614 ' ' CYS . 66.7 Cg_endo -72.82 -5.85 17.94 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 122.859 2.373 . . . . 0.0 111.77 177.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 97.1 mt -72.41 -9.26 58.3 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.132 0.573 . . . . 0.0 111.344 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -84.46 -12.05 55.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.133 0.492 . . . . 0.0 109.977 177.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 68.6 m -98.83 149.21 23.13 Favored 'General case' 0 CA--C 1.487 -1.455 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.865 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1647 ' ' GLU . . . . . 0.43 ' HB2' ' ND1' ' A' 1525 ' ' HIS . 11.4 pt-20 -88.93 75.19 8.08 Favored 'General case' 0 N--CA 1.421 -1.918 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 171.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 41.8 tp -75.25 137.49 41.26 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 113.555 -1.657 . . . . 0.0 112.538 -169.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.906 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 176.106 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1508 ' ' MET . . . . . 0.418 ' HA ' ' OD1' ' A' 1511 ' ' ASN . 52.6 ttm . . . . . 0 CA--C 1.515 -0.366 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 28.4 tptp -170.03 -48.01 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 53.2 m -149.96 90.05 1.65 Allowed 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 175.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1511 ' ' ASN . . . . . 0.418 ' OD1' ' HA ' ' A' 1508 ' ' MET . 2.7 m-20 -101.79 31.77 3.7 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 122.414 1.102 . . . . 0.0 109.962 -175.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -149.84 35.31 0.68 Allowed 'General case' 0 N--CA 1.423 -1.778 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 8.8 t60 -116.74 67.44 0.73 Allowed 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 114.413 -1.267 . . . . 0.0 107.705 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 20.7 m-20 63.98 45.19 4.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.731 -1.122 . . . . 0.0 108.239 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.77 46.83 1.12 Allowed 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -174.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 31.9 m 54.77 43.71 29.63 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 124.982 1.313 . . . . 0.0 111.721 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -155.4 139.48 16.45 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -174.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 89.9 t -130.41 124.89 58.37 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.077 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 6.6 m -100.28 127.06 46.66 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 120.078 -0.649 . . . . 0.0 109.603 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -101.18 105.75 41.03 Favored Pre-proline 0 C--N 1.299 -1.609 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 175.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -72.8 -10.63 25.14 Favored 'Trans proline' 0 C--O 1.241 0.667 0 C-N-CA 122.728 2.286 . . . . 0.0 112.748 -175.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 6.8 m -70.34 -51.76 27.65 Favored 'General case' 0 N--CA 1.427 -1.599 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.726 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 23.8 p -95.79 -25.89 15.88 Favored 'General case' 0 C--O 1.251 1.143 0 CA-C-O 121.224 0.535 . . . . 0.0 111.872 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 90.07 16.71 55.5 Favored Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -177.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -96.67 126.67 42.0 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -175.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 35.5 tp -93.4 109.72 21.28 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -80.66 105.93 12.27 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.92 136.29 53.05 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 176.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 80.1 mt -110.57 13.72 22.56 Favored 'General case' 0 C--N 1.267 -3.002 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 174.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 29.2 m -66.42 -32.06 73.2 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.147 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 38.5 t -59.92 -36.38 76.89 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.53 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 93.2 mt -101.47 0.07 36.1 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.051 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 24.1 t -78.65 147.71 33.48 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-O 121.34 0.591 . . . . 0.0 110.414 -174.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -174.89 142.91 6.53 Favored Glycine 1 N--CA 1.395 -4.085 0 N-CA-C 108.936 -1.666 . . . . 0.0 108.936 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1535 ' ' ARG . . . . . 0.565 ' O ' ' HA ' ' A' 1556 ' ' ASN . 91.8 mtt180 -78.69 -26.57 44.96 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.499 0.666 . . . . 0.0 109.971 -177.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -81.16 -25.73 36.61 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 173.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1537 ' ' GLY . . . . . 0.507 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 69.76 -128.86 21.13 Favored Glycine 0 N--CA 1.424 -2.148 0 CA-C-N 114.011 -1.45 . . . . 0.0 112.6 175.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 57.9 t80 -138.07 138.62 38.95 Favored 'General case' 0 C--N 1.284 -2.275 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 86.7 m -104.12 107.27 18.09 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.455 0.645 . . . . 0.0 109.415 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -96.89 125.85 41.62 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -105.69 129.49 53.9 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -119.54 170.31 9.28 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.515 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -51.28 -54.8 22.52 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.762 0.825 . . . . 0.0 112.687 -175.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -117.23 32.28 6.25 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 122.034 0.921 . . . . 0.0 110.006 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -161.87 64.97 0.26 Allowed Glycine 0 N--CA 1.427 -1.966 0 N-CA-C 107.935 -2.066 . . . . 0.0 107.935 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 31.7 p90 -76.93 54.79 1.04 Allowed 'General case' 0 C--N 1.311 -1.083 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -174.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . 151.58 89.93 0.08 OUTLIER Glycine 0 N--CA 1.41 -3.072 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.333 176.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 68.9 t -103.03 108.31 24.05 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.237 0 N-CA-C 104.639 -2.356 . . . . 0.0 104.639 170.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -89.26 103.69 16.3 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 -176.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1550 ' ' MET . . . . . 0.507 ' O ' ' HA3' ' A' 1537 ' ' GLY . 23.9 ptp -114.89 131.36 56.89 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 23.2 t -88.96 153.02 21.36 Favored 'General case' 0 N--CA 1.421 -1.902 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 175.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 46.7 mm -112.31 90.71 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.282 -2.349 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 53.8 t 68.41 76.79 0.25 Allowed 'General case' 0 C--O 1.244 0.782 0 O-C-N 124.523 1.139 . . . . 0.0 109.824 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 154.15 -167.15 32.26 Favored Glycine 0 N--CA 1.429 -1.801 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.744 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.46 151.87 20.61 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.565 ' HA ' ' O ' ' A' 1535 ' ' ARG . 19.2 t-20 -95.33 120.16 35.08 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.413 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.14 -6.27 46.7 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -94.54 4.36 53.95 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 76.2 m -135.84 172.42 7.15 Favored Pre-proline 0 N--CA 1.427 -1.624 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -60.25 137.34 74.33 Favored 'Trans proline' 0 C--O 1.25 1.104 0 C-N-CA 121.924 1.749 . . . . 0.0 111.381 173.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.17 103.21 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 123.13 2.554 . . . . 0.0 111.507 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 147.58 -29.55 1.45 Allowed Glycine 0 N--CA 1.434 -1.474 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 -176.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 59.6 t -88.18 138.85 18.34 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -105.23 -24.13 7.32 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.685 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -150.46 135.31 17.54 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.87 0.335 . . . . 0.0 110.92 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 80.8 m -126.43 133.81 51.15 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 79.1 t80 -101.56 114.67 28.91 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 94.09 161.36 35.1 Favored Glycine 0 N--CA 1.423 -2.179 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.953 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -67.44 -19.22 65.34 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.43 0.633 . . . . 0.0 109.836 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 20.4 m -69.0 -13.5 62.49 Favored 'General case' 0 CA--C 1.561 1.374 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.637 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 64.47 43.76 4.4 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 124.828 1.251 . . . . 0.0 112.437 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 70.8 mt -74.36 114.57 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 24.7 p -63.12 117.12 6.07 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.007 0.432 . . . . 0.0 111.772 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.461 HG22 ' HB3' ' A' 1606 ' ' TYR . 15.0 p -112.76 18.39 7.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 CA-C-O 122.447 1.118 . . . . 0.0 108.642 178.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 168.42 141.49 3.21 Favored Glycine 0 N--CA 1.43 -1.755 0 C-N-CA 120.035 -1.079 . . . . 0.0 113.416 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 15.9 tptm -91.2 150.7 21.25 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 177.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -55.97 115.49 2.43 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 124.263 1.025 . . . . 0.0 113.026 -175.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -128.11 142.43 51.2 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -178.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 63.4 mttp -126.09 7.53 7.25 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.645 0.736 . . . . 0.0 110.524 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -86.39 91.37 8.49 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.835 0.826 . . . . 0.0 109.861 -177.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.447 HD21 ' HB3' ' A' 1588 ' ' LEU . 1.7 tt -75.47 129.0 36.56 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -118.06 134.17 55.23 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-O 120.818 0.342 . . . . 0.0 111.034 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 40.1 t80 -101.55 99.84 10.19 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 16.7 m -134.86 121.83 35.74 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.254 -173.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 26.7 t70 58.69 48.17 11.96 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 122.813 1.292 . . . . 0.0 110.428 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 28.1 tp60 63.06 10.74 4.68 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 113.287 -1.779 . . . . 0.0 113.877 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 7.3 p -123.5 139.9 48.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.867 -0.521 . . . . 0.0 109.924 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.474 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 84.6 mt -84.22 121.41 27.44 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 175.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -123.05 130.94 53.43 Favored 'General case' 0 C--N 1.28 -2.419 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.1 -172.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 69.5 mt -115.83 122.8 46.46 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 172.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 59.3 t -118.87 113.63 42.24 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 CA-C-O 121.402 0.62 . . . . 0.0 109.75 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -95.27 98.1 10.35 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -85.72 170.02 12.87 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 177.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 27.1 t70 65.6 87.75 0.11 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.822 1.249 . . . . 0.0 112.469 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -128.44 -153.64 8.11 Favored Glycine 0 N--CA 1.424 -2.138 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 177.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 42.3 m -70.01 141.33 89.22 Favored Pre-proline 0 C--N 1.296 -1.733 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.8 138.55 45.14 Favored 'Trans proline' 0 C--O 1.243 0.733 0 C-N-CA 122.14 1.893 . . . . 0.0 110.372 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 56.0 m -72.62 128.65 88.13 Favored Pre-proline 0 C--N 1.302 -1.483 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.062 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -71.15 -13.65 31.28 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.545 2.163 . . . . 0.0 110.776 176.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 7.9 m -82.65 -39.52 21.99 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.294 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -138.67 107.99 6.12 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.685 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 15.1 m -69.03 100.92 1.3 Allowed 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 142.86 -31.34 2.0 Allowed Glycine 0 N--CA 1.441 -0.998 0 N-CA-C 110.129 -1.188 . . . . 0.0 110.129 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 87.3 mt -89.93 150.27 22.24 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 17.0 m -133.94 150.53 51.3 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.461 ' HB3' HG22 ' A' 1574 ' ' VAL . 79.6 m-85 -64.39 122.55 16.99 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.844 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -119.55 151.02 39.32 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.143 -177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 13.3 p -129.35 136.1 49.57 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.107 0.48 . . . . 0.0 110.985 176.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 63.3 t -122.74 113.65 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.732 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 56.0 mt -99.8 114.11 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.722 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 23.1 t -102.91 115.44 30.61 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.147 -176.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.474 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 91.3 m-85 -98.35 99.82 11.04 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.4 t -95.17 140.08 17.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.748 -173.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 5.8 t -60.73 112.79 2.16 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.754 -1.112 . . . . 0.0 111.61 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -138.22 88.47 15.08 Favored Pre-proline 0 C--N 1.302 -1.491 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 172.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1616 ' ' PRO . . . . . 0.451 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 50.1 Cg_exo -58.93 -27.03 83.46 Favored 'Trans proline' 0 N--CA 1.488 1.161 0 C-N-CA 123.695 2.93 . . . . 0.0 111.981 -178.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -75.5 -11.16 59.97 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.207 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . 68.18 -71.56 0.11 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.943 1.297 . . . . 0.0 109.399 -174.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 81.52 177.14 51.56 Favored Glycine 0 N--CA 1.429 -1.811 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.619 176.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -79.02 -15.32 13.11 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.381 2.054 . . . . 0.0 111.197 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.73 28.62 2.97 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-O 121.687 0.756 . . . . 0.0 110.075 -176.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -88.04 46.3 1.37 Allowed 'General case' 0 C--O 1.243 0.741 0 CA-C-O 122.685 1.231 . . . . 0.0 109.898 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -152.36 161.44 29.31 Favored Pre-proline 0 C--N 1.303 -1.435 0 N-CA-C 104.611 -2.366 . . . . 0.0 104.611 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -68.23 121.74 8.74 Favored 'Trans proline' 0 C--O 1.257 1.436 0 C-N-CA 121.223 1.282 . . . . 0.0 112.373 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 23.0 ttt -112.81 133.21 54.92 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1626 ' ' LEU . . . . . 0.447 ' HG ' ' CE1' ' A' 1638 ' ' PHE . 1.1 tt -78.97 111.41 15.14 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 46.9 mm -90.22 -44.41 14.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 CA-C-O 121.055 0.455 . . . . 0.0 111.425 -174.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.8 m -146.04 131.36 18.55 Favored 'General case' 0 C--N 1.296 -1.729 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.065 -176.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.65 101.09 11.9 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 105.207 -2.146 . . . . 0.0 105.207 175.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -99.16 103.23 15.11 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.219 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -84.49 -19.07 33.89 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-O 121.002 0.429 . . . . 0.0 110.341 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -62.91 -50.44 70.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.398 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 21.9 p -113.29 8.73 18.16 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 121.65 0.738 . . . . 0.0 111.243 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1634 ' ' CYS . . . . . 0.408 ' HB3' ' CD1' ' A' 1606 ' ' TYR . 65.8 m 59.77 63.97 1.39 Allowed 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 113.983 -1.462 . . . . 0.0 111.625 177.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 27.4 m -133.36 126.47 31.39 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.657 0.742 . . . . 0.0 111.628 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1636 ' ' LEU . . . . . 0.467 ' HB3' ' CE2' ' A' 1638 ' ' PHE . 4.2 mm? -94.71 118.05 31.11 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.663 177.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -102.69 113.78 27.47 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.349 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1638 ' ' PHE . . . . . 0.467 ' CE2' ' HB3' ' A' 1636 ' ' LEU . 88.5 m-85 -117.73 141.14 48.74 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 36.0 t -122.89 136.65 54.94 Favored 'General case' 0 C--N 1.289 -2.031 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -119.89 126.94 52.16 Favored 'General case' 0 N--CA 1.418 -2.042 0 N-CA-C 104.932 -2.248 . . . . 0.0 104.932 177.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 70.5 m80 -104.31 108.74 20.28 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 7.3 t -140.53 143.15 31.62 Favored Pre-proline 0 C--N 1.294 -1.808 0 CA-C-O 121.319 0.58 . . . . 0.0 110.134 -176.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1643 ' ' PRO . . . . . 0.451 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 65.2 Cg_endo -72.49 -14.06 27.7 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 123.225 2.617 . . . . 0.0 111.261 176.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 54.0 tp -74.52 -22.74 58.89 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.108 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -95.98 27.66 3.5 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.814 0.816 . . . . 0.0 109.609 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 19.0 t -132.05 146.7 52.23 Favored 'General case' 0 N--CA 1.417 -2.101 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -82.18 74.91 9.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.387 1.089 . . . . 0.0 111.119 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 93.8 mt -97.53 104.34 16.36 Favored 'General case' 0 N--CA 1.426 -1.643 0 CA-C-N 114.251 -1.34 . . . . 0.0 107.985 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.572 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.498 -178.577 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 C--O 1.24 0.565 0 CA-C-O 121.179 0.514 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 88.4 tttt -125.05 120.27 31.0 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 9.8 t -87.52 69.36 9.78 Favored 'General case' 0 N--CA 1.424 -1.765 0 CA-C-O 122.351 1.072 . . . . 0.0 110.685 -176.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -105.63 43.88 1.09 Allowed 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 106.179 -1.786 . . . . 0.0 106.179 173.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -80.06 69.32 6.43 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 113.526 -1.67 . . . . 0.0 112.315 -171.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 69.7 t60 -158.5 144.21 16.76 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 34.2 t70 63.39 64.77 0.8 Allowed 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 122.322 1.058 . . . . 0.0 110.513 -177.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -128.42 -67.8 0.79 Allowed 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 58.8 m 50.69 57.16 6.93 Favored 'General case' 0 CA--C 1.507 -0.703 0 O-C-N 124.547 1.154 . . . . 0.0 110.126 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1517 ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' 1527 ' ' PHE . 23.1 pt20 -141.9 142.4 33.07 Favored 'General case' 0 N--CA 1.426 -1.637 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.278 -175.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 9.8 p -150.47 140.63 16.08 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.426 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 32.5 m -99.88 118.98 37.47 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 121.061 0.458 . . . . 0.0 109.926 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -107.84 107.86 60.78 Favored Pre-proline 0 C--N 1.306 -1.296 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.423 176.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.65 -26.16 79.87 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.366 2.711 . . . . 0.0 113.696 -177.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 23.2 t -68.05 -27.8 66.83 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 120.824 0.345 . . . . 0.0 110.704 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 1.8 p -100.74 -33.45 10.25 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-O 121.341 0.591 . . . . 0.0 110.96 176.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 85.44 14.55 68.18 Favored Glycine 0 CA--C 1.502 -0.749 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.57 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -118.04 136.68 53.4 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.4 tt -87.21 105.3 17.12 Favored 'General case' 0 N--CA 1.417 -2.087 0 N-CA-C 104.443 -2.428 . . . . 0.0 104.443 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' 1517 ' ' GLN . 97.0 m-85 -82.22 118.28 22.98 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -177.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -137.22 144.64 42.91 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.1 mt -123.42 23.04 9.11 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.427 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 8.6 t -74.46 -20.66 59.93 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.277 -174.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 50.3 m -79.23 -7.65 58.42 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 121.573 -0.705 . . . . 0.0 110.829 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 82.7 mt -105.59 8.95 33.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.765 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1533 ' ' SER . . . . . 0.587 ' HA ' ' O ' ' A' 1552 ' ' ILE . 46.7 m -65.72 103.54 0.9 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.516 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -110.35 119.65 5.39 Favored Glycine 0 N--CA 1.44 -1.096 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -75.44 -29.35 59.65 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 117.433 0.617 . . . . 0.0 111.347 -175.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -86.81 -12.11 48.94 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 121.802 0.81 . . . . 0.0 109.06 176.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 68.93 -164.45 49.63 Favored Glycine 0 N--CA 1.421 -2.35 0 CA-C-N 113.9 -1.5 . . . . 0.0 112.761 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.59 138.48 54.32 Favored 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 23.2 m -97.96 107.83 20.4 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 120.166 -0.613 . . . . 0.0 109.467 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -84.38 115.36 22.48 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -66.29 135.17 54.04 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 121.03 0.443 . . . . 0.0 111.176 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 75.2 t80 -119.87 102.35 8.51 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . 60.48 27.41 17.04 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.049 0.94 . . . . 0.0 110.201 -176.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 68.06 -46.46 0.52 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.309 1.844 . . . . 0.0 113.92 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -65.41 -43.34 95.07 Favored Glycine 0 C--O 1.243 0.677 0 O-C-N 123.017 0.198 . . . . 0.0 112.857 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 22.4 m-90 -97.37 171.31 8.49 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-O 120.993 0.425 . . . . 0.0 109.919 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -155.96 145.8 12.94 Favored Glycine 0 N--CA 1.42 -2.414 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 48.6 t -104.94 117.64 50.95 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -89.03 103.79 16.38 Favored 'General case' 0 C--N 1.289 -2.044 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -177.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 18.1 ptm -119.59 116.75 26.68 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.426 -173.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 47.8 t -89.98 140.03 30.03 Favored 'General case' 0 N--CA 1.433 -1.275 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1552 ' ' ILE . . . . . 0.587 ' O ' ' HA ' ' A' 1533 ' ' SER . 67.4 mt -103.94 115.58 46.15 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.538 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 11.8 t 64.86 45.62 3.2 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 124.341 1.026 . . . . 0.0 111.569 176.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 173.1 -179.05 44.77 Favored Glycine 0 N--CA 1.436 -1.344 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -88.46 149.5 23.64 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -90.3 128.79 36.52 Favored 'General case' 0 C--N 1.292 -1.891 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -71.59 -12.62 61.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.004 0.43 . . . . 0.0 111.705 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1558 ' ' ASN . . . . . 0.422 HD21 ' N ' ' A' 1558 ' ' ASN . 0.8 OUTLIER -87.64 4.6 43.27 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 175.573 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 74.1 m -131.85 162.96 53.27 Favored Pre-proline 0 N--CA 1.434 -1.247 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.739 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -61.13 142.68 97.63 Favored 'Trans proline' 0 C--O 1.248 0.986 0 C-N-CA 122.456 2.104 . . . . 0.0 110.35 173.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -55.83 100.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 123.733 2.955 . . . . 0.0 113.011 -176.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 146.73 -38.21 1.15 Allowed Glycine 0 N--CA 1.428 -1.87 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 38.5 t -82.6 132.85 30.42 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -99.67 -30.98 6.23 Favored Glycine 0 N--CA 1.437 -1.252 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.804 -178.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -135.73 132.24 36.61 Favored 'General case' 0 N--CA 1.436 -1.166 0 O-C-N 122.45 -0.441 . . . . 0.0 110.938 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 73.5 m -127.0 134.46 50.34 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.917 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 32.4 t80 -91.45 127.37 36.87 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 78.35 -172.32 55.21 Favored Glycine 0 N--CA 1.433 -1.501 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.806 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -90.6 -18.19 25.61 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 4.1 m -72.52 -1.75 17.1 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-O 121.752 0.787 . . . . 0.0 111.845 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 59.71 48.46 9.28 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.781 1.232 . . . . 0.0 111.019 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 67.1 mt -78.87 114.9 20.23 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 22.3 p -63.39 116.59 5.67 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-O 121.228 0.537 . . . . 0.0 111.835 -175.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.411 HG23 ' HB3' ' A' 1606 ' ' TYR . 12.7 p -112.84 11.77 8.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 CA-C-O 122.929 1.347 . . . . 0.0 108.362 177.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1575 ' ' GLY . . . . . 0.424 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 166.3 129.97 1.11 Allowed Glycine 0 N--CA 1.418 -2.517 0 C-N-CA 119.669 -1.253 . . . . 0.0 113.846 177.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.42 ' HB2' ' HB3' ' A' 1594 ' ' ASP . 23.5 tptm -77.41 151.68 34.66 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 174.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -65.23 113.14 3.8 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 122.355 0.262 . . . . 0.0 110.654 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -119.33 160.1 22.9 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 122.717 0.407 . . . . 0.0 110.068 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 24.2 pttm -128.97 8.83 5.71 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.177 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -77.37 91.43 3.85 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.978 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.421 HD12 ' HB3' ' A' 1588 ' ' LEU . 55.8 tp -87.12 126.85 35.04 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.824 -178.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -112.74 134.18 54.39 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.458 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1583 ' ' TYR . . . . . 0.429 ' CZ ' ' HA ' ' A' 1586 ' ' GLN . 86.6 t80 -108.33 103.63 12.84 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 171.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 2.7 p -142.11 127.74 17.89 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.301 -173.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 63.73 43.26 5.68 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 122.745 1.26 . . . . 0.0 110.442 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1586 ' ' GLN . . . . . 0.429 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 54.8 mt-30 62.63 15.97 8.45 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 114.067 -1.424 . . . . 0.0 113.71 177.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 34.5 m -132.3 157.3 43.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.49 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 81.4 mt -95.71 122.51 38.55 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -113.65 124.2 51.75 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.055 -175.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 53.7 mt -114.89 123.14 48.41 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 172.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 47.3 t -114.39 112.12 38.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1592 ' ' TYR . . . . . 0.424 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 27.4 m-85 -89.39 98.99 12.08 Favored 'General case' 0 N--CA 1.42 -1.969 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 65.9 mttm -88.74 174.81 7.79 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.39 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1594 ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' A' 1576 ' ' LYS . 15.4 t70 65.33 93.37 0.07 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.389 1.075 . . . . 0.0 110.649 -175.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -141.32 -173.84 13.94 Favored Glycine 0 N--CA 1.429 -1.8 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 49.1 m -67.58 131.72 92.92 Favored Pre-proline 0 C--N 1.305 -1.344 0 C-N-CA 122.784 0.434 . . . . 0.0 110.414 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.06 130.06 32.87 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.712 2.275 . . . . 0.0 110.754 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 68.8 m -76.53 119.14 76.07 Favored Pre-proline 0 C--N 1.302 -1.482 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.279 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -70.92 -26.03 22.57 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 121.809 1.672 . . . . 0.0 109.183 174.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 1.4 m -64.42 -51.49 62.93 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 114.473 -1.24 . . . . 0.0 109.425 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1601 ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' 1632 ' ' GLN . 30.8 mmtp -124.32 99.14 6.07 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.991 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 16.5 m -63.14 124.41 21.09 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.905 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 112.94 -23.76 13.95 Favored Glycine 0 N--CA 1.436 -1.313 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 80.8 mt -103.68 157.43 17.07 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 120.758 0.314 . . . . 0.0 110.173 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 50.1 m -135.78 140.45 44.3 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.452 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 95.4 m-85 -55.54 119.4 5.6 Favored 'General case' 0 CA--C 1.517 -0.323 0 O-C-N 124.267 0.98 . . . . 0.0 111.544 -176.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -128.27 151.73 48.95 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.072 -175.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 31.3 t -117.8 131.32 56.59 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.154 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 87.6 t -118.97 111.98 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 53.4 mt -102.96 130.7 52.66 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 15.9 m -122.06 107.68 12.49 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 121.146 0.498 . . . . 0.0 110.525 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.49 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 80.3 m-85 -85.7 117.13 24.39 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 38.6 t -104.07 139.78 24.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 11.8 t -64.42 126.94 29.42 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 123.726 0.81 . . . . 0.0 112.27 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -144.09 100.11 4.97 Favored Pre-proline 0 N--CA 1.433 -1.276 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -66.79 -31.21 39.77 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.533 2.155 . . . . 0.0 110.676 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -88.48 41.19 1.0 Allowed 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.346 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1618 ' ' ALA . . . . . 0.408 ' HB2' ' OD1' ' A' 1622 ' ' ASN . . . -72.46 -173.3 1.1 Allowed 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 124.253 1.021 . . . . 0.0 112.699 -175.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 136.51 -104.43 0.48 Allowed Glycine 0 N--CA 1.435 -1.372 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -77.61 13.07 1.72 Allowed 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.067 2.511 . . . . 0.0 112.725 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 4.2 m -112.52 2.43 16.29 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.804 0.811 . . . . 0.0 109.248 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1622 ' ' ASN . . . . . 0.408 ' OD1' ' HB2' ' A' 1618 ' ' ALA . 1.7 m-20 -89.22 75.91 7.74 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -178.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -150.02 152.0 33.14 Favored Pre-proline 0 C--N 1.298 -1.644 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -177.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -75.8 122.31 6.76 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 121.88 1.72 . . . . 0.0 110.941 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 20.2 ptp -122.82 130.19 52.59 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.725 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 2.1 tt -83.94 113.89 21.3 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.3 mm -99.97 -36.83 5.42 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-O 120.904 0.383 . . . . 0.0 111.853 -174.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 19.5 m -144.29 135.05 25.0 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 121.986 -0.446 . . . . 0.0 110.539 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 3.0 tm? -118.53 102.89 9.23 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.28 90.58 3.36 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -75.43 -22.12 57.61 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.979 -176.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1632 ' ' GLN . . . . . 0.484 ' O ' ' HG3' ' A' 1601 ' ' LYS . 78.3 mt-30 -65.19 -35.55 81.41 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.014 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 36.6 p -105.71 11.93 31.57 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.39 0.614 . . . . 0.0 110.251 174.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1634 ' ' CYS . . . . . 0.452 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 77.3 m 55.58 39.41 30.98 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.16 178.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 39.8 m -119.43 125.25 48.51 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-O 121.073 0.463 . . . . 0.0 111.313 -177.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.0 mp -105.48 124.58 49.8 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -99.1 110.07 22.7 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-O 120.929 0.395 . . . . 0.0 110.869 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -108.97 144.38 37.01 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 22.7 t -127.69 156.35 42.52 Favored 'General case' 0 N--CA 1.405 -2.717 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -143.06 143.35 31.84 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -107.99 111.65 23.83 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.2 t -138.28 143.52 39.28 Favored Pre-proline 0 C--N 1.308 -1.197 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1643 ' ' PRO . . . . . 0.413 ' HA ' ' SG ' ' A' 1646 ' ' CYS . 67.5 Cg_endo -75.3 -4.85 15.92 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.007 2.471 . . . . 0.0 112.724 178.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 95.6 mt -80.98 -16.21 54.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.336 0.589 . . . . 0.0 110.689 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -94.24 23.04 5.36 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.09 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1646 ' ' CYS . . . . . 0.413 ' SG ' ' HA ' ' A' 1643 ' ' PRO . 77.5 m -101.99 150.95 22.69 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.829 -176.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -81.63 74.96 8.59 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 176.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 33.0 tp -139.43 128.56 23.82 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -176.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 CA-C-O 118.29 -0.862 . . . . 0.0 108.779 178.744 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 23.1 mmt . . . . . 0 N--CA 1.468 0.454 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.91 153.2 33.67 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 122.266 -0.271 . . . . 0.0 110.291 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 17.7 p -138.28 36.2 2.3 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.928 0.87 . . . . 0.0 109.694 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 19.5 m120 -79.51 -48.22 14.26 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.381 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -85.62 134.28 34.0 Favored 'General case' 0 N--CA 1.427 -1.618 0 N-CA-C 106.198 -1.779 . . . . 0.0 106.198 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -95.74 115.08 26.91 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -149.5 25.97 0.86 Allowed 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 174.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.82 -66.2 0.91 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.229 -1.351 . . . . 0.0 111.399 -176.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1516 ' ' CYS . . . . . 0.519 ' SG ' ' HB2' ' A' 1579 ' ' LYS . 87.0 m 54.67 58.12 5.13 Favored 'General case' 0 C--O 1.25 1.09 0 CA-C-O 122.19 0.995 . . . . 0.0 111.476 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -147.7 135.91 21.42 Favored 'General case' 0 N--CA 1.417 -2.115 0 CA-C-N 113.916 -1.493 . . . . 0.0 108.634 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 40.3 t -125.08 137.27 58.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 9.0 m -107.22 133.58 51.59 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 44.1 p30 -97.11 126.75 41.07 Favored Pre-proline 0 C--O 1.213 -0.82 0 C-N-CA 119.557 -0.857 . . . . 0.0 109.892 174.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.56 -12.52 24.76 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 122.158 1.906 . . . . 0.0 113.194 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 20.2 t -71.35 -65.81 0.7 Allowed 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.34 -5.22 40.5 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 72.46 31.58 63.08 Favored Glycine 0 CA--C 1.5 -0.884 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.178 174.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 29.8 m170 -107.05 149.78 27.22 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.061 0.458 . . . . 0.0 112.109 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 65.9 tp -107.39 126.21 52.19 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.377 -175.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -108.69 115.3 29.83 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 178.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -128.89 154.57 46.38 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.44 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.5 mt -123.21 24.91 8.64 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.609 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 14.9 m -66.71 -27.75 67.89 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.651 -173.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 23.9 m -81.8 -7.6 59.61 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.02 0.438 . . . . 0.0 110.998 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 87.8 mt -106.82 0.16 23.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.409 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1533 ' ' SER . . . . . 0.491 ' HA ' ' O ' ' A' 1552 ' ' ILE . 26.0 t -69.06 144.39 54.0 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.365 -177.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -167.25 146.94 11.19 Favored Glycine 0 N--CA 1.434 -1.472 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 59.0 mtp85 -84.08 -39.37 19.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.918 0.422 . . . . 0.0 111.415 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -84.04 -32.92 24.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.766 0.793 . . . . 0.0 108.984 175.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1537 ' ' GLY . . . . . 0.415 ' HA3' ' HA ' ' A' 1551 ' ' SER . . . 72.84 -138.44 25.76 Favored Glycine 0 N--CA 1.428 -1.871 0 CA-C-N 114.082 -1.417 . . . . 0.0 113.095 174.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 84.5 t80 -120.02 146.32 45.99 Favored 'General case' 0 C--N 1.288 -2.082 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 51.1 m -116.6 108.54 16.09 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-O 121.221 0.534 . . . . 0.0 110.071 177.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -96.1 106.65 18.86 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1541 ' ' ALA . . . . . 0.442 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -90.89 110.78 22.01 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.047 -176.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1542 ' ' TYR . . . . . 0.451 ' OH ' ' HB2' ' A' 1626 ' ' LEU . 98.3 m-85 -100.0 125.99 46.12 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 176.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . 65.15 -90.03 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 124.616 1.167 . . . . 0.0 110.826 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -145.35 -62.64 0.34 Allowed 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 122.817 0.447 . . . . 0.0 111.704 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -93.87 -7.2 61.49 Favored Glycine 0 N--CA 1.435 -1.371 0 C-N-CA 120.39 -0.909 . . . . 0.0 113.507 -174.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 61.8 m95 -91.85 64.35 4.74 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 121.906 0.86 . . . . 0.0 110.056 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1547 ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . -92.97 117.07 5.29 Favored Glycine 0 N--CA 1.426 -2.002 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.664 178.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 17.7 t -88.28 111.93 23.06 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -89.57 104.05 16.64 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 15.1 ptm -119.93 113.79 21.09 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-O 121.422 0.63 . . . . 0.0 110.641 -173.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1551 ' ' SER . . . . . 0.415 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 24.5 m -88.49 152.29 21.97 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1552 ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' 1533 ' ' SER . 44.2 mm -111.83 104.57 17.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 -177.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 46.0 t 63.48 68.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.125 0.891 . . . . 0.0 110.178 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 165.58 -170.53 40.47 Favored Glycine 0 N--CA 1.435 -1.394 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.85 145.79 28.12 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.102 0.477 . . . . 0.0 110.114 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -85.55 110.81 19.48 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.422 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -79.72 3.25 19.87 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.307 -0.86 . . . . 0.0 113.29 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -91.22 -6.48 53.32 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 177.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1559 ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' 1571 ' ' ARG . 83.2 m -130.23 179.25 1.38 Allowed Pre-proline 0 C--N 1.294 -1.809 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 178.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -57.19 119.88 7.43 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 121.412 1.408 . . . . 0.0 110.695 174.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -51.21 107.07 0.15 Allowed 'Trans proline' 0 C--N 1.366 1.457 0 C-N-CA 123.212 2.608 . . . . 0.0 111.55 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 152.71 -32.0 0.83 Allowed Glycine 0 N--CA 1.431 -1.687 0 N-CA-C 107.967 -2.053 . . . . 0.0 107.967 -176.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 54.7 t -78.04 143.58 12.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 106.452 -1.684 . . . . 0.0 106.452 172.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -107.32 -20.88 8.32 Favored Glycine 0 C--N 1.316 -0.553 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.843 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -151.99 139.03 19.11 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 69.9 m -127.47 133.81 49.87 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.658 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 72.5 t80 -103.45 118.18 36.16 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.661 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 89.32 177.27 45.92 Favored Glycine 0 N--CA 1.437 -1.259 0 CA-C-N 115.808 -0.633 . . . . 0.0 113.612 172.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -72.78 -24.52 60.95 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 123.209 0.604 . . . . 0.0 110.11 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 24.9 m -72.96 -14.58 61.48 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-O 121.924 0.869 . . . . 0.0 109.572 174.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1571 ' ' ARG . . . . . 0.515 ' HB3' ' SG ' ' A' 1559 ' ' CYS . 99.2 mtt180 57.26 47.58 16.63 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 126.044 1.738 . . . . 0.0 112.103 176.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.84 126.15 23.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.203 -1.362 . . . . 0.0 109.209 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 37.4 p -61.92 111.63 1.98 Allowed 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 121.298 0.571 . . . . 0.0 111.287 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.44 HG22 ' HB3' ' A' 1606 ' ' TYR . 12.8 p -109.83 30.41 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-O 123.262 1.506 . . . . 0.0 108.384 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1575 ' ' GLY . . . . . 0.45 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 148.29 138.64 3.06 Favored Glycine 0 N--CA 1.413 -2.87 0 CA-C-N 114.037 -1.438 . . . . 0.0 112.926 176.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 49.3 tptt -78.44 159.02 28.51 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 175.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -62.54 86.32 0.02 OUTLIER 'General case' 0 C--O 1.248 0.981 0 CA-C-O 121.409 0.623 . . . . 0.0 111.126 177.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -102.23 135.21 44.23 Favored 'General case' 0 CA--C 1.493 -1.228 0 C-N-CA 124.419 1.088 . . . . 0.0 109.125 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1579 ' ' LYS . . . . . 0.519 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 0.0 OUTLIER -138.19 38.6 2.31 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-O 122.435 1.112 . . . . 0.0 110.388 -179.052 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -97.21 92.08 5.84 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' 1588 ' ' LEU . 2.6 tt -76.66 123.45 26.15 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -176.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -102.93 129.96 49.83 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1583 ' ' TYR . . . . . 0.554 ' CE1' ' HA ' ' A' 1586 ' ' GLN . 80.6 t80 -98.47 100.56 11.82 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 176.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 19.4 m -119.89 106.1 18.41 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.967 -174.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 35.7 t70 56.11 49.55 15.35 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 122.11 0.957 . . . . 0.0 110.137 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1586 ' ' GLN . . . . . 0.554 ' HA ' ' CE1' ' A' 1583 ' ' TYR . 24.8 tt0 60.94 26.75 16.66 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-N 114.437 -1.256 . . . . 0.0 111.567 -179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 97.3 t -119.45 132.26 69.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.534 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 96.4 mt -89.69 113.5 25.0 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -110.01 131.0 55.45 Favored 'General case' 0 C--N 1.288 -2.081 0 CA-C-O 120.833 0.349 . . . . 0.0 111.529 -177.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 70.0 mt -114.62 123.28 48.92 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 171.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 6.4 p -120.09 111.05 30.88 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-O 121.907 0.861 . . . . 0.0 110.823 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1592 ' ' TYR . . . . . 0.45 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 97.7 m-85 -89.95 100.46 13.27 Favored 'General case' 0 N--CA 1.422 -1.83 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.012 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -95.94 173.1 7.61 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.217 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 18.4 t70 62.51 87.46 0.1 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.065 1.346 . . . . 0.0 112.09 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -127.57 -156.86 9.23 Favored Glycine 0 N--CA 1.431 -1.635 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 44.3 m -68.63 131.31 91.44 Favored Pre-proline 0 C--N 1.309 -1.163 0 CA-C-N 117.302 0.551 . . . . 0.0 110.411 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -63.78 114.57 2.64 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.866 2.377 . . . . 0.0 110.961 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 55.7 m -73.53 138.56 77.63 Favored Pre-proline 0 C--N 1.299 -1.623 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.343 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -69.47 4.33 2.13 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 123.463 2.776 . . . . 0.0 111.918 176.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 24.7 t -70.74 -19.45 62.73 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.553 1.141 . . . . 0.0 111.326 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 3.4 mppt? 70.84 -57.17 0.6 Allowed 'General case' 0 N--CA 1.499 2.008 0 C-N-CA 124.162 0.985 . . . . 0.0 111.015 -175.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 47.6 t -81.37 108.15 14.74 Favored 'General case' 0 N--CA 1.427 -1.61 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 87.69 48.54 4.16 Favored Glycine 0 N--CA 1.435 -1.414 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.38 86.14 7.12 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-O 122.055 0.931 . . . . 0.0 112.659 -178.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 33.7 p 168.36 119.74 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 113.719 -1.582 . . . . 0.0 108.687 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.44 ' HB3' HG22 ' A' 1574 ' ' VAL . 42.4 m-85 -70.3 121.94 18.61 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.981 172.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.57 157.7 36.47 Favored 'General case' 0 C--O 1.248 1.011 0 C-N-CA 123.242 0.617 . . . . 0.0 111.11 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 23.1 t -134.67 128.53 33.23 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.182 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 57.9 t -116.84 109.91 29.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 48.2 mt -101.69 119.51 50.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 17.7 t -108.05 102.8 11.93 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.534 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 93.9 m-85 -89.69 101.51 14.2 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 58.5 t -92.59 137.44 22.25 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.702 -176.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 11.0 t -67.63 107.16 2.43 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 124.052 0.845 . . . . 0.0 111.242 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1615 ' ' ARG . . . . . 0.525 ' HA ' ' NE ' ' A' 1615 ' ' ARG . 4.4 mmp_? -136.43 100.99 10.12 Favored Pre-proline 0 C--N 1.312 -1.055 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.56 175.289 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -71.88 -4.98 16.14 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 122.832 2.354 . . . . 0.0 111.372 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1617 ' ' GLU . . . . . 0.431 ' OE1' ' HD3' ' A' 1615 ' ' ARG . 41.3 mt-10 -76.43 -18.84 58.61 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 124.152 0.981 . . . . 0.0 110.521 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -72.4 134.87 45.64 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.562 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -126.11 -137.91 4.75 Favored Glycine 0 N--CA 1.432 -1.591 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -81.02 25.69 0.63 Allowed 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 122.573 2.182 . . . . 0.0 113.247 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 2.7 m -121.63 15.81 11.11 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -54.98 109.78 0.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.993 -175.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -146.04 138.87 14.07 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.091 -177.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.402 ' HB3' ' CE3' ' A' 1640 ' ' TRP . 87.9 Cg_endo -82.79 161.09 16.3 Favored 'Trans proline' 0 C--O 1.248 1.006 0 C-N-CA 122.776 2.317 . . . . 0.0 111.527 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -140.45 143.93 35.83 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-O 121.236 0.541 . . . . 0.0 111.122 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1626 ' ' LEU . . . . . 0.451 ' HB2' ' OH ' ' A' 1542 ' ' TYR . 2.1 tt -80.7 103.25 10.42 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.8 mm -79.59 -48.79 20.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.225 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 33.4 t -137.47 129.37 28.88 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 121.249 0.547 . . . . 0.0 110.124 -176.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.93 99.65 9.08 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -101.75 98.16 8.46 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.541 177.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 26.6 tptp -85.06 -4.89 59.32 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.518 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -74.17 -51.2 16.25 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.659 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 13.1 p -112.94 14.99 19.82 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 121.498 0.666 . . . . 0.0 110.912 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 60.9 m 57.13 54.88 6.43 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 114.226 -1.352 . . . . 0.0 112.263 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 27.8 m -125.82 110.79 14.1 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -95.92 126.04 40.9 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.92 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -101.97 114.19 28.08 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.613 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -115.79 130.13 56.72 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 13.2 t -113.02 142.54 45.6 Favored 'General case' 0 N--CA 1.415 -2.195 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 177.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1640 ' ' TRP . . . . . 0.402 ' CE3' ' HB3' ' A' 1624 ' ' PRO . 2.0 t90 -129.25 126.41 39.02 Favored 'General case' 0 N--CA 1.421 -1.903 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 47.2 m80 -97.56 101.65 13.22 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 7.9 t -123.66 142.59 39.55 Favored Pre-proline 0 C--N 1.295 -1.765 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.423 -174.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -79.43 -3.74 13.19 Favored 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 122.633 2.222 . . . . 0.0 110.947 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 91.1 mt -84.39 -7.49 59.29 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 121.462 0.649 . . . . 0.0 110.361 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -95.2 7.36 46.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.887 0.851 . . . . 0.0 108.833 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 83.2 m -109.35 141.56 41.53 Favored 'General case' 0 N--CA 1.429 -1.518 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.33 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -87.54 83.09 7.3 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 121.867 0.841 . . . . 0.0 110.724 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 81.9 mt -94.57 102.44 14.37 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.022 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.572 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.744 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 CA--C 1.501 -0.918 0 CA-C-O 121.226 0.536 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -82.69 140.65 32.99 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.463 -177.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 14.8 m -69.73 -2.19 11.22 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.367 -177.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -75.58 -22.28 57.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.666 0.746 . . . . 0.0 109.694 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -129.83 67.98 1.45 Allowed 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -105.89 126.86 52.68 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.019 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -103.4 142.76 33.68 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 175.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -117.96 24.97 10.68 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1516 ' ' CYS . . . . . 0.626 ' SG ' ' HB2' ' A' 1529 ' ' LEU . 10.7 t 69.62 39.46 1.53 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 124.591 1.156 . . . . 0.0 110.39 174.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -152.02 130.06 11.84 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.06 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 65.8 t -119.6 136.66 56.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 28.0 m -101.74 125.04 48.33 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 43.5 t30 -98.44 113.21 63.9 Favored Pre-proline 0 C--N 1.315 -0.895 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.68 -16.02 53.13 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.083 2.522 . . . . 0.0 113.954 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.3 m -66.64 -40.86 88.89 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.697 0.284 . . . . 0.0 110.989 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 13.9 p -109.42 -30.87 7.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.57 0.7 . . . . 0.0 111.654 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 92.18 6.97 64.35 Favored Glycine 0 N--CA 1.437 -1.248 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -178.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -90.76 144.31 25.85 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -176.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 64.2 tp -97.37 132.5 43.03 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.501 ' CE1' ' HB3' ' A' 1647 ' ' GLU . 59.6 m-85 -105.37 114.56 28.81 Favored 'General case' 0 CA--C 1.485 -1.523 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 175.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.28 133.21 53.79 Favored 'General case' 0 C--N 1.292 -1.915 0 C-N-CA 118.318 -1.353 . . . . 0.0 109.647 177.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1529 ' ' LEU . . . . . 0.626 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 96.1 mt -106.5 9.47 31.58 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 171.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.8 m -63.76 -31.21 72.31 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 124.682 1.193 . . . . 0.0 108.87 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 29.2 m -63.7 -24.21 67.68 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.843 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 96.4 mt -104.47 -13.47 16.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.658 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 20.4 t -62.54 114.62 3.65 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 121.815 0.817 . . . . 0.0 109.693 -176.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -154.31 151.24 22.95 Favored Glycine 0 N--CA 1.409 -3.139 0 N-CA-C 108.411 -1.876 . . . . 0.0 108.411 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -84.37 -19.56 33.39 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 123.89 0.406 . . . . 0.0 111.747 -173.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -88.08 -29.25 20.78 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 174.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1537 ' ' GLY . . . . . 0.535 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 64.4 -115.99 8.52 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 114.047 -1.433 . . . . 0.0 113.276 174.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 55.9 t80 -146.69 141.51 26.89 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' 1548 ' ' VAL . 27.6 m -120.58 107.51 12.92 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -93.39 134.8 35.26 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.47 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -112.61 137.92 50.16 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1542 ' ' TYR . . . . . 0.431 ' HB2' ' HB2' ' A' 1546 ' ' TRP . 95.1 m-85 -126.91 141.62 51.76 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 120.839 0.352 . . . . 0.0 110.546 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -65.72 -15.94 63.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.091 -0.958 . . . . 0.0 113.097 -174.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -84.13 7.76 17.8 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.94 0.4 . . . . 0.0 111.564 176.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 87.08 39.32 7.47 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.157 176.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1546 ' ' TRP . . . . . 0.431 ' HB2' ' HB2' ' A' 1542 ' ' TYR . 11.2 m0 -122.61 147.77 46.03 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -147.33 136.85 6.29 Favored Glycine 0 C--N 1.293 -1.841 0 N-CA-C 108.33 -1.908 . . . . 0.0 108.33 177.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1548 ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' 1539 ' ' THR . 8.1 p -135.16 123.98 40.98 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 CA-C-N 117.91 0.855 . . . . 0.0 111.813 -177.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1549 ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' 1565 ' ' ALA . 58.9 m-85 -99.37 113.99 26.63 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 177.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1550 ' ' MET . . . . . 0.535 ' O ' ' HA3' ' A' 1537 ' ' GLY . 22.3 ptp -124.26 131.92 53.55 Favored 'General case' 0 C--N 1.289 -2.033 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.298 -179.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 21.4 t -94.97 149.87 20.78 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 106.301 -1.741 . . . . 0.0 106.301 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 50.0 mm -105.31 104.89 17.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.904 -177.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 73.4 m 67.95 43.62 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.381 -1.281 . . . . 0.0 112.152 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 179.01 -163.8 31.65 Favored Glycine 0 N--CA 1.434 -1.454 0 C-N-CA 120.466 -0.874 . . . . 0.0 111.151 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.26 147.7 22.93 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 120.732 0.301 . . . . 0.0 110.632 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -91.73 127.77 37.32 Favored 'General case' 0 CA--C 1.496 -1.129 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -174.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.26 -8.76 56.58 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -174.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -88.96 -15.45 34.2 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 176.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 86.0 m -105.23 160.36 26.26 Favored Pre-proline 0 C--N 1.303 -1.437 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.84 -176.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -54.14 143.9 60.99 Favored 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 123.242 2.628 . . . . 0.0 111.1 175.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -50.33 101.41 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 124.24 3.293 . . . . 0.0 113.452 -178.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 128.98 -18.89 5.55 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.016 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 58.5 t -88.49 132.9 32.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -105.04 -21.33 9.04 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.996 -176.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1565 ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' A' 1549 ' ' TYR . . . -142.68 134.27 26.58 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 120.895 0.379 . . . . 0.0 110.831 -178.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 84.5 m -128.32 137.67 52.05 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.056 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 89.0 t80 -122.5 140.08 53.15 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.263 0.554 . . . . 0.0 111.173 -176.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 95.41 171.76 36.48 Favored Glycine 0 N--CA 1.431 -1.689 0 CA-C-N 115.39 -0.823 . . . . 0.0 113.065 173.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -79.63 -14.8 58.55 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 121.699 0.761 . . . . 0.0 109.758 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 5.2 m -89.32 -1.63 58.13 Favored 'General case' 0 CA--C 1.557 1.248 0 CA-C-O 122.425 1.107 . . . . 0.0 109.269 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 52.47 49.93 19.37 Favored 'General case' 0 C--N 1.361 1.075 0 CA-C-N 113.894 -1.503 . . . . 0.0 112.214 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 77.1 mt -70.77 131.08 34.78 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.298 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 2.7 p -65.93 110.96 3.08 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.071 0.462 . . . . 0.0 110.265 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1574 ' ' VAL . . . . . . . . . . . . . 7.1 p -105.65 1.84 10.26 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.113 -174.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 179.87 139.66 3.84 Favored Glycine 0 N--CA 1.439 -1.125 0 C-N-CA 119.883 -1.151 . . . . 0.0 113.477 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 45.0 tptt -77.59 153.58 33.12 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 107.778 -1.194 . . . . 0.0 107.778 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -67.67 100.43 0.9 Allowed 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.903 0.481 . . . . 0.0 111.734 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 33.9 t30 -113.29 136.28 52.92 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.61 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.74 31.31 4.98 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.427 0.632 . . . . 0.0 111.983 -179.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -92.74 91.45 7.5 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 40.9 tp -78.66 112.82 16.15 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.473 -177.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -106.86 129.27 54.73 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.495 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 84.5 t80 -96.7 105.02 17.06 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 174.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 17.0 m -136.11 138.61 47.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -176.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 32.8 t70 53.67 42.06 31.93 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 122.269 1.033 . . . . 0.0 110.678 178.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 7.1 mp0 66.11 8.7 5.69 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 114.623 -1.172 . . . . 0.0 113.556 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 19.3 m -124.56 161.83 27.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.167 0 O-C-N 121.61 -0.682 . . . . 0.0 110.51 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.495 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 0.5 OUTLIER -97.9 123.81 42.04 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.129 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -123.12 123.62 41.24 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -175.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 72.4 mt -116.77 123.13 46.4 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.591 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 60.1 t -112.11 112.12 39.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 CA-C-O 121.189 0.519 . . . . 0.0 110.042 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.4 94.39 7.79 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -106.69 175.55 5.46 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.628 -174.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 38.5 t70 61.53 60.37 1.67 Allowed 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 125.335 1.454 . . . . 0.0 111.749 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -87.91 -155.48 28.98 Favored Glycine 0 N--CA 1.416 -2.686 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 171.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 21.8 m -71.21 147.4 93.27 Favored Pre-proline 0 C--N 1.284 -2.263 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -59.97 135.02 60.22 Favored 'Trans proline' 0 C--O 1.248 1.02 0 C-N-CA 122.507 2.138 . . . . 0.0 110.068 174.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 34.2 m -70.07 122.45 86.18 Favored Pre-proline 0 C--N 1.287 -2.133 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.567 -178.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -67.8 -14.7 42.36 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.019 1.812 . . . . 0.0 112.75 -176.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 14.5 m -107.68 -8.08 16.22 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.411 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -141.19 62.54 1.46 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.714 -1.588 . . . . 0.0 106.714 -177.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 13.6 m -58.54 133.37 55.76 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.544 -177.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 106.25 -26.89 18.93 Favored Glycine 0 N--CA 1.436 -1.342 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -175.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 5.7 mp -99.81 144.27 29.07 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 5.9 m -118.46 140.12 50.35 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1606 ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -61.2 140.0 58.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -140.62 139.32 34.85 Favored 'General case' 0 C--O 1.245 0.856 0 O-C-N 123.841 0.713 . . . . 0.0 109.727 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 23.6 m -111.66 125.79 54.33 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.983 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 64.4 t -108.75 104.54 17.24 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 60.8 mt -99.79 116.48 43.12 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 20.1 m -111.11 116.62 31.42 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.993 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.495 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 65.1 m-85 -92.36 113.08 25.25 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 31.6 t -109.3 144.12 18.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -178.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 8.8 t -60.68 125.09 22.41 Favored 'General case' 0 C--O 1.249 1.053 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -145.66 95.38 4.94 Favored Pre-proline 0 N--CA 1.432 -1.343 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 172.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -75.48 1.0 8.45 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 122.83 2.353 . . . . 0.0 112.447 -178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -87.89 42.2 1.04 Allowed 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 124.119 0.968 . . . . 0.0 110.12 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -48.81 134.23 16.69 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 124.936 1.294 . . . . 0.0 112.729 -177.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 169.33 -128.49 1.68 Allowed Glycine 0 N--CA 1.427 -1.905 0 N-CA-C 107.801 -2.12 . . . . 0.0 107.801 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -80.9 10.4 3.39 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.726 2.284 . . . . 0.0 110.828 175.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 5.1 p -92.19 -15.95 26.91 Favored 'General case' 0 N--CA 1.432 -1.347 0 C-N-CA 125.371 1.469 . . . . 0.0 112.5 -176.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1622 ' ' ASN . . . . . 0.628 ' HA ' ' O ' ' A' 1641 ' ' HIS . 28.9 p-10 -84.89 40.84 0.83 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.682 0.753 . . . . 0.0 111.609 -174.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -110.99 140.94 23.22 Favored Pre-proline 0 C--N 1.295 -1.791 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.75 122.61 7.43 Favored 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 121.883 1.722 . . . . 0.0 109.986 175.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 84.3 mtp -105.78 147.15 28.95 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.8 tt -90.39 100.5 13.32 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.0 mm -80.65 -46.0 21.4 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.315 -174.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 14.7 m -137.63 126.56 24.14 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.902 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.18 95.54 5.91 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 177.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.4 t70 -100.91 101.36 12.16 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.178 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 64.8 mttp -84.47 1.32 46.07 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.78 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -77.93 -46.62 20.7 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 15.8 p -117.09 11.79 14.31 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.568 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 80.6 m 57.92 56.39 4.74 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.267 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 31.1 m -132.36 124.87 29.59 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.033 0.444 . . . . 0.0 110.417 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.22 121.13 43.2 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -95.19 108.25 20.37 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.057 -178.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -107.71 135.7 48.7 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.767 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 74.4 m -119.6 116.57 26.29 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 176.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -101.28 133.08 46.4 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1641 ' ' HIS . . . . . 0.628 ' O ' ' HA ' ' A' 1622 ' ' ASN . 81.9 m-70 -104.99 101.91 11.44 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 -178.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.9 t -128.17 141.85 42.63 Favored Pre-proline 0 C--N 1.303 -1.456 0 CA-C-O 121.58 0.705 . . . . 0.0 111.267 -174.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.01 -11.46 25.44 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.43 2.754 . . . . 0.0 111.337 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 93.8 mt -77.51 -17.52 57.9 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.582 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -90.27 5.83 45.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.361 0.6 . . . . 0.0 110.378 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 63.0 m -93.74 146.85 23.56 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.735 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1647 ' ' GLU . . . . . 0.501 ' HB3' ' CE1' ' A' 1527 ' ' PHE . 10.2 pt-20 -122.31 75.13 1.21 Allowed 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 122.386 1.089 . . . . 0.0 111.127 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 39.3 tp -86.87 91.15 8.57 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.747 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -178.418 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 CA--C 1.507 -0.678 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 52.8 mtpt 59.28 22.97 11.33 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.786 1.234 . . . . 0.0 113.812 175.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 10.9 t 60.87 46.72 8.39 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 122.127 0.965 . . . . 0.0 109.824 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 9.1 t30 -80.09 -41.71 25.02 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.034 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -71.38 138.53 49.25 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.534 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -103.06 102.68 12.71 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 -177.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 57.46 50.5 11.14 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.1 0.96 . . . . 0.0 111.277 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -77.78 -61.41 2.0 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.745 -176.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 61.7 m 52.39 52.46 14.15 Favored 'General case' 0 C--O 1.252 1.191 0 C-N-CA 123.366 0.667 . . . . 0.0 111.795 -177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1517 ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' 1527 ' ' PHE . 13.5 pt20 -143.74 133.38 23.66 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.177 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 60.2 t -117.54 132.18 68.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.037 -177.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 9.9 m -101.34 120.51 40.37 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 175.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -86.99 111.1 38.18 Favored Pre-proline 0 C--N 1.305 -1.342 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.62 -10.2 25.54 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.303 2.669 . . . . 0.0 114.058 -175.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 31.9 t -80.81 -53.43 6.49 Favored 'General case' 0 N--CA 1.433 -1.307 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 45.6 p -94.39 -30.28 14.56 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.001 0.429 . . . . 0.0 112.126 -178.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 94.56 10.71 57.76 Favored Glycine 0 N--CA 1.441 -1.03 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.856 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 12.0 t60 -88.62 139.48 30.43 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 122.389 -0.477 . . . . 0.0 110.41 -177.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 62.2 tp -101.54 112.78 25.44 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.553 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' 1517 ' ' GLN . 91.2 m-85 -95.7 106.94 19.11 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.452 -177.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 3.6 p30 -116.99 154.17 31.36 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 72.8 mt -119.76 28.57 8.05 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.59 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 46.3 p -55.96 -33.76 65.07 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 21.3 p -73.85 -27.76 61.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.27 0.557 . . . . 0.0 111.428 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 77.5 mt -96.24 -0.21 50.11 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 33.9 m -82.92 97.92 8.93 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-O 121.107 0.48 . . . . 0.0 109.775 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -107.6 136.86 13.69 Favored Glycine 0 N--CA 1.435 -1.396 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -81.36 -22.37 38.46 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -84.27 -27.12 28.1 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 173.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 95.37 -159.52 22.56 Favored Glycine 0 N--CA 1.414 -2.794 0 CA-C-N 113.687 -1.597 . . . . 0.0 109.927 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -125.11 136.81 54.0 Favored 'General case' 0 C--N 1.278 -2.531 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.517 ' HA ' ' O ' ' A' 1548 ' ' VAL . 41.2 m -126.72 107.21 9.96 Favored 'General case' 0 C--N 1.282 -2.327 0 C-N-CA 120.094 -0.643 . . . . 0.0 110.227 178.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -96.51 106.84 19.15 Favored 'General case' 0 N--CA 1.421 -1.906 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 175.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1541 ' ' ALA . . . . . 0.405 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -95.9 104.67 16.61 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 121.175 0.512 . . . . 0.0 110.126 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1542 ' ' TYR . . . . . 0.424 ' C ' ' H ' ' A' 1544 ' ' LYS . 97.2 m-85 -80.68 145.1 31.78 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -74.58 35.45 0.1 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.867 0.867 . . . . 0.0 112.908 -174.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.424 ' H ' ' C ' ' A' 1542 ' ' TYR . 0.4 OUTLIER -117.63 3.02 12.38 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 177.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 87.04 29.32 23.27 Favored Glycine 0 N--CA 1.442 -0.933 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -176.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 85.0 m95 -123.68 94.29 4.19 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-O 121.306 0.574 . . . . 0.0 111.54 -178.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1547 ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . -86.54 107.39 3.2 Favored Glycine 0 N--CA 1.434 -1.457 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 172.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1548 ' ' VAL . . . . . 0.517 ' O ' ' HA ' ' A' 1539 ' ' THR . 23.1 t -92.42 108.33 20.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.754 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -91.07 104.02 16.65 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.5 ptm -119.69 137.05 54.15 Favored 'General case' 0 C--N 1.278 -2.515 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.622 -175.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 34.5 t -96.94 149.64 21.66 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 50.7 mm -125.65 105.33 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 52.5 t 74.97 91.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 111.203 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 97.62 -157.38 20.78 Favored Glycine 0 N--CA 1.437 -1.269 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.268 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.47 149.31 26.3 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-O 120.901 0.381 . . . . 0.0 110.58 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -105.26 141.49 36.7 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.47 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.35 -0.13 24.48 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.304 -176.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -90.85 6.5 44.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.185 0.993 . . . . 0.0 108.765 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 62.1 m -137.11 164.07 44.75 Favored Pre-proline 0 N--CA 1.429 -1.48 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 175.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -63.44 128.06 21.51 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 121.648 1.565 . . . . 0.0 109.335 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -50.44 104.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 123.324 2.683 . . . . 0.0 112.596 -177.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 137.55 -28.39 2.77 Favored Glycine 0 N--CA 1.429 -1.811 0 N-CA-C 108.588 -1.805 . . . . 0.0 108.588 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 87.0 t -88.27 143.45 11.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 174.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -124.21 9.48 8.37 Favored Glycine 0 N--CA 1.44 -1.093 0 C-N-CA 119.64 -1.267 . . . . 0.0 112.896 -176.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -165.52 129.64 2.32 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 120.914 0.388 . . . . 0.0 110.386 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 63.8 m -129.87 132.75 46.54 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 35.2 t80 -109.56 115.91 30.78 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.59 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 94.26 175.71 39.07 Favored Glycine 0 N--CA 1.429 -1.829 0 C-N-CA 120.925 -0.655 . . . . 0.0 113.247 173.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -71.42 -23.79 61.92 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 123.596 0.758 . . . . 0.0 109.163 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 18.5 m -73.68 -11.39 60.4 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.495 177.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 60.81 41.07 15.17 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.106 0.962 . . . . 0.0 111.782 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.6 116.65 2.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 20.2 p -64.72 110.82 2.51 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-O 121.427 0.632 . . . . 0.0 110.733 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.489 HG22 ' HB3' ' A' 1606 ' ' TYR . 14.4 p -112.32 18.06 7.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 CA-C-O 122.242 1.02 . . . . 0.0 109.735 -174.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 169.55 137.92 2.37 Favored Glycine 0 N--CA 1.429 -1.786 0 C-N-CA 120.197 -1.002 . . . . 0.0 113.397 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 45.1 tptt -84.12 150.46 25.53 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 106.611 -1.626 . . . . 0.0 106.611 176.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -58.48 129.45 42.12 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 123.635 0.774 . . . . 0.0 112.557 -176.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -129.12 140.74 51.43 Favored 'General case' 0 C--O 1.253 1.274 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 24.0 pttm -136.89 15.79 3.07 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.544 0.687 . . . . 0.0 110.109 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -96.61 93.29 6.67 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.497 -178.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 17.3 mt -75.86 131.29 39.61 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 120.742 0.306 . . . . 0.0 111.646 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -119.8 138.77 53.15 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 173.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1583 ' ' TYR . . . . . 0.571 ' CZ ' ' HA ' ' A' 1586 ' ' GLN . 22.9 t80 -112.8 100.91 9.04 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -176.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 14.4 m -119.74 112.32 36.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.088 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.3 t70 59.92 48.97 8.26 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 122.403 1.097 . . . . 0.0 111.237 177.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1586 ' ' GLN . . . . . 0.571 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 50.7 mt-30 65.71 19.64 11.42 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 114.419 -1.264 . . . . 0.0 112.112 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 62.6 t -125.34 125.65 69.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.461 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 76.2 mt -85.14 140.17 31.14 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 175.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -136.74 134.74 37.45 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 119.627 -0.829 . . . . 0.0 111.591 -176.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 83.6 mt -130.08 123.84 31.4 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 124.952 1.301 . . . . 0.0 108.714 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.7 p -113.49 111.86 37.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 CA-C-O 121.978 0.894 . . . . 0.0 111.469 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -92.67 91.08 7.36 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 54.0 pttt -112.54 169.3 8.98 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.252 -175.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 35.7 t70 68.6 88.83 0.11 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.954 1.301 . . . . 0.0 112.231 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -132.77 -122.17 2.3 Favored Glycine 0 N--CA 1.425 -2.048 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 38.7 m -76.55 145.75 75.94 Favored Pre-proline 0 C--N 1.298 -1.655 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -74.98 141.78 27.11 Favored 'Trans proline' 0 C--O 1.243 0.746 0 C-N-CA 122.65 2.233 . . . . 0.0 110.771 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 60.3 m -83.27 118.11 70.61 Favored Pre-proline 0 C--N 1.3 -1.584 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.131 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -69.29 -22.65 33.96 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.455 2.103 . . . . 0.0 109.717 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 1.5 m -64.25 -34.01 77.14 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.143 -1.389 . . . . 0.0 110.455 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -154.22 103.63 2.55 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.66 -176.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 11.5 m -62.47 110.09 1.57 Allowed 'General case' 0 C--N 1.307 -1.273 0 C-N-CA 123.757 0.823 . . . . 0.0 110.407 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 134.79 -27.32 3.21 Favored Glycine 0 N--CA 1.435 -1.416 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 90.5 mt -97.89 157.59 16.01 Favored 'General case' 0 C--O 1.253 1.253 0 CA-C-O 121.332 0.587 . . . . 0.0 110.833 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 36.1 t -136.65 152.13 50.07 Favored 'General case' 0 N--CA 1.418 -2.047 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.489 ' HB3' HG22 ' A' 1574 ' ' VAL . 96.9 m-85 -65.15 131.97 47.93 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.568 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -138.23 143.92 40.35 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.961 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 19.7 m -116.98 119.88 36.67 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.792 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 48.3 t -103.9 110.02 28.94 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 67.0 mt -101.33 125.84 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.237 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 16.8 p -121.27 124.67 45.18 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.668 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.461 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 76.8 m-85 -101.28 101.14 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 42.2 t -84.27 132.59 31.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.881 -175.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 43.8 t -62.32 105.22 0.58 Allowed 'General case' 0 C--O 1.242 0.675 0 O-C-N 124.068 0.855 . . . . 0.0 110.116 176.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -129.39 91.32 41.78 Favored Pre-proline 0 C--N 1.305 -1.332 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -59.4 -37.08 92.13 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 123.153 2.569 . . . . 0.0 112.967 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -100.89 34.25 2.54 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-O 120.964 0.411 . . . . 0.0 111.386 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -70.62 163.17 27.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.548 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -163.6 -107.78 0.21 Allowed Glycine 0 C--N 1.302 -1.359 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 -177.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -59.39 -20.52 56.6 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.663 2.242 . . . . 0.0 113.401 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 70.2 p -92.32 14.82 15.31 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -83.68 49.33 1.58 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 122.506 1.146 . . . . 0.0 108.451 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -136.09 144.62 48.94 Favored Pre-proline 0 C--N 1.307 -1.261 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -67.04 122.22 9.51 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 121.843 1.695 . . . . 0.0 110.297 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 15.0 tpt -109.88 138.89 45.61 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.216 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.7 tt -83.72 103.86 13.37 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 105.423 -2.066 . . . . 0.0 105.423 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.0 mm -82.03 -50.09 16.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.248 -174.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 21.2 t -137.72 134.16 35.01 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.89 97.09 6.78 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 20.7 t70 -103.04 101.59 11.57 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 118.921 -1.112 . . . . 0.0 110.224 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -84.21 -7.09 59.45 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.861 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -76.81 -49.9 14.76 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.97 0.414 . . . . 0.0 110.627 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 46.0 p -98.89 6.38 46.81 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 121.484 0.659 . . . . 0.0 110.643 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 59.6 m 59.1 45.48 14.53 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.297 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 18.1 m -122.73 118.21 27.52 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.144 -176.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.08 125.74 49.94 Favored 'General case' 0 N--CA 1.428 -1.562 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -98.19 120.23 38.23 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.426 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -117.44 138.89 51.54 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 10.9 t -133.14 141.03 47.93 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.3 t90 -124.31 128.8 49.67 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 66.6 m170 -90.26 105.44 17.81 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 174.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 4.2 t -132.34 137.37 29.83 Favored Pre-proline 0 C--N 1.301 -1.515 0 CA-C-O 121.257 0.551 . . . . 0.0 111.69 -177.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.28 -3.25 12.5 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 122.555 2.17 . . . . 0.0 111.046 174.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.58 -12.26 56.33 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.098 0.475 . . . . 0.0 110.651 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -86.03 -10.01 55.77 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 42.2 m -100.17 157.6 16.46 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -102.77 111.29 23.55 Favored 'General case' 0 C--N 1.294 -1.819 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.378 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 93.5 mt -110.5 140.17 45.03 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.691 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 177.655 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 121.738 0.78 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 61.2 tttm -149.93 118.73 6.61 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 30.5 m -146.43 35.82 0.98 Allowed 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 121.599 0.714 . . . . 0.0 110.068 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -90.08 25.33 2.18 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.667 0.746 . . . . 0.0 110.653 -177.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.08 -15.29 61.06 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.429 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 43.7 m80 -83.39 65.61 8.43 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 25.6 t70 -108.02 48.14 0.86 Allowed 'General case' 0 C--N 1.294 -1.815 0 CA-C-O 122.366 1.079 . . . . 0.0 109.126 -174.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 22.0 t70 -103.67 53.29 0.76 Allowed 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 106.108 -1.812 . . . . 0.0 106.108 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 83.4 m 67.68 59.65 0.47 Allowed 'General case' 0 C--O 1.25 1.081 0 CA-C-N 113.72 -1.582 . . . . 0.0 111.292 -175.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -150.93 134.43 16.31 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 114.341 -1.3 . . . . 0.0 108.687 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 90.2 t -133.45 137.4 53.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 18.2 m -116.09 130.96 57.05 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1520 ' ' ASN . . . . . 0.405 ' HA ' ' HD3' ' A' 1521 ' ' PRO . 29.9 p30 -94.26 131.89 30.35 Favored Pre-proline 0 C--N 1.312 -1.05 0 C-N-CA 119.517 -0.873 . . . . 0.0 109.933 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1521 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 1520 ' ' ASN . 3.7 Cg_exo -79.66 -5.92 14.2 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 121.922 1.748 . . . . 0.0 111.91 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 14.9 m -74.39 -57.86 3.67 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.959 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 3.9 p -115.14 -7.42 12.45 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 82.64 17.92 67.15 Favored Glycine 0 N--CA 1.441 -1.02 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.824 176.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 27.9 m170 -91.98 140.86 29.24 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.206 0.527 . . . . 0.0 111.683 -177.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 59.3 tp -98.49 130.17 45.08 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.854 -176.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -113.4 132.81 55.48 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 4.0 p30 -150.33 157.09 42.67 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 120.634 -0.426 . . . . 0.0 109.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.6 mt -118.13 27.42 9.0 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 16.4 m -71.44 -9.17 57.75 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -173.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 28.5 p -91.57 -17.04 26.22 Favored 'General case' 0 C--N 1.309 -1.16 0 O-C-N 121.76 -0.588 . . . . 0.0 111.406 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 95.7 mt -106.73 -16.51 14.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.961 0.41 . . . . 0.0 110.624 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 30.0 p -59.67 124.38 19.93 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.737 0.815 . . . . 0.0 112.029 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -172.01 147.9 10.42 Favored Glycine 0 N--CA 1.425 -2.051 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -78.62 -18.24 54.82 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -175.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -85.89 -29.62 23.52 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1537 ' ' GLY . . . . . 0.438 ' HA3' ' HA ' ' A' 1551 ' ' SER . . . 69.14 -110.28 3.3 Favored Glycine 0 N--CA 1.433 -1.513 0 CA-C-N 114.263 -1.335 . . . . 0.0 113.734 174.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 57.1 t80 -163.64 132.12 3.75 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 59.4 m -91.53 107.84 19.49 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -98.35 105.66 17.84 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -101.14 127.22 47.79 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.309 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1542 ' ' TYR . . . . . 0.4 ' HB2' ' HB2' ' A' 1546 ' ' TRP . 64.2 m-85 -107.98 96.07 6.12 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . 64.55 30.98 12.63 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 124.532 1.133 . . . . 0.0 110.883 -178.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 33.3 mmtp 67.84 -52.15 0.52 Allowed 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -178.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -55.15 -47.81 71.81 Favored Glycine 0 N--CA 1.468 0.77 0 N-CA-C 111.666 -0.574 . . . . 0.0 111.666 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1546 ' ' TRP . . . . . 0.4 ' HB2' ' HB2' ' A' 1542 ' ' TYR . 44.8 m0 -84.31 63.01 7.52 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.549 0.69 . . . . 0.0 109.191 175.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -79.31 95.1 1.41 Allowed Glycine 0 N--CA 1.429 -1.795 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 176.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 89.8 t -85.31 102.45 11.15 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 CA-C-O 121.739 0.78 . . . . 0.0 109.812 -178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -84.33 105.02 14.85 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.5 ptm -122.57 130.04 52.58 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-O 121.374 0.607 . . . . 0.0 111.255 -176.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1551 ' ' SER . . . . . 0.438 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 17.1 t -88.85 150.4 22.91 Favored 'General case' 0 N--CA 1.423 -1.789 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 176.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 45.9 mm -108.27 93.72 2.68 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 36.1 t 70.18 61.25 0.24 Allowed 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 124.631 1.207 . . . . 0.0 110.377 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 169.25 -170.54 42.62 Favored Glycine 0 N--CA 1.428 -1.858 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -93.05 135.16 34.47 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -77.24 130.45 37.25 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.073 -175.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.47 -23.65 61.08 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.096 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 16.0 m120 -82.4 -1.38 49.83 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.067 0.46 . . . . 0.0 110.174 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 76.7 m -130.58 166.56 26.19 Favored Pre-proline 0 C--N 1.307 -1.257 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -59.52 144.45 99.42 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 122.321 2.014 . . . . 0.0 111.001 173.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -54.95 118.64 5.37 Favored 'Trans proline' 0 C--O 1.245 0.874 0 C-N-CA 123.532 2.822 . . . . 0.0 113.09 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 121.48 -20.48 8.32 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.541 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 60.4 t -88.24 134.57 27.73 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -95.41 -29.97 8.48 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.644 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -150.13 145.69 26.47 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 122.389 -0.477 . . . . 0.0 110.823 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 73.7 m -130.28 133.83 46.78 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 123.162 0.585 . . . . 0.0 109.469 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 89.2 t80 -97.68 125.91 42.72 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -178.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 85.05 165.48 40.23 Favored Glycine 0 N--CA 1.429 -1.82 0 CA-C-N 115.344 -0.843 . . . . 0.0 113.18 172.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -67.61 -17.81 64.75 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.454 0.645 . . . . 0.0 109.87 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 6.4 m -71.8 -15.51 62.16 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.022 176.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 62.74 46.13 5.42 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.854 1.662 . . . . 0.0 111.672 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.96 115.09 19.4 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 3.8 p -55.98 115.57 2.48 Favored 'General case' 0 C--N 1.314 -0.975 0 O-C-N 123.634 0.584 . . . . 0.0 111.587 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.453 HG22 ' HB3' ' A' 1606 ' ' TYR . 14.4 p -113.24 24.62 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.291 0 CA-C-O 122.249 1.023 . . . . 0.0 110.812 -175.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 154.27 148.18 4.88 Favored Glycine 0 C--O 1.242 0.626 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.694 174.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' 1594 ' ' ASP . 47.7 mmtm -81.49 153.48 26.82 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 123.454 0.702 . . . . 0.0 109.704 176.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -69.56 108.97 4.04 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.571 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 13.4 m120 -122.88 155.08 37.38 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -130.95 27.85 4.86 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.13 0.49 . . . . 0.0 111.616 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -95.51 115.76 27.88 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.562 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.46 HD21 ' HB3' ' A' 1588 ' ' LEU . 25.4 mt -94.33 132.26 39.11 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.603 0.716 . . . . 0.0 111.613 175.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -114.67 125.85 54.21 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 173.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1583 ' ' TYR . . . . . 0.535 ' CZ ' ' HA ' ' A' 1586 ' ' GLN . 42.3 t80 -102.8 100.28 10.28 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 16.3 m -123.76 113.36 36.83 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.881 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.1 t70 52.29 55.15 9.57 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.97 1.308 . . . . 0.0 111.609 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1586 ' ' GLN . . . . . 0.535 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 83.6 mt-30 64.86 26.64 12.89 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 114.125 -1.398 . . . . 0.0 112.921 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 62.0 t -128.82 130.24 68.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.501 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 74.0 mt -92.7 117.05 29.58 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 173.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -104.95 126.24 51.8 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 28.8 mt -114.79 123.74 49.98 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 169.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1591 ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' 1608 ' ' SER . 7.4 p -120.06 115.89 48.72 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.813 177.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -89.57 101.15 13.83 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 175.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -101.05 157.01 17.08 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.56 -174.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1594 ' ' ASP . . . . . 0.449 ' O ' ' HG2' ' A' 1576 ' ' LYS . 34.1 t70 70.62 75.73 0.2 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.007 1.323 . . . . 0.0 112.991 178.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -98.13 -136.66 9.32 Favored Glycine 0 N--CA 1.423 -2.178 0 N-CA-C 110.154 -1.179 . . . . 0.0 110.154 172.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 49.5 m -78.55 145.89 68.42 Favored Pre-proline 0 C--N 1.295 -1.787 0 CA-C-O 120.582 0.229 . . . . 0.0 110.993 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -64.59 130.6 26.97 Favored 'Trans proline' 0 C--O 1.25 1.085 0 C-N-CA 123.068 2.512 . . . . 0.0 110.7 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1598 ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' A' 1601 ' ' LYS . 63.8 m -71.33 124.48 91.04 Favored Pre-proline 0 C--N 1.302 -1.459 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.235 -176.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -68.98 -36.57 12.63 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 122.942 2.428 . . . . 0.0 111.27 178.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 32.3 m -87.31 -13.7 42.91 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.317 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1601 ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' 1598 ' ' CYS . 56.3 tptt -135.38 81.86 1.92 Allowed 'General case' 0 N--CA 1.438 -1.066 0 CA-C-O 121.798 0.809 . . . . 0.0 110.4 -175.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 9.5 m -65.18 111.37 2.92 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 114.539 -1.21 . . . . 0.0 109.336 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 127.02 -11.03 6.95 Favored Glycine 0 N--CA 1.435 -1.404 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.994 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 76.6 mt -127.52 158.35 37.66 Favored 'General case' 0 C--O 1.246 0.902 0 CA-C-O 121.319 0.58 . . . . 0.0 111.562 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 36.5 m -130.73 142.81 50.43 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.453 ' HB3' HG22 ' A' 1574 ' ' VAL . 99.1 m-85 -59.19 139.68 56.69 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 123.944 0.778 . . . . 0.0 113.01 -175.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -130.9 151.12 51.67 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.915 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1608 ' ' SER . . . . . 0.461 ' O ' ' HA ' ' A' 1591 ' ' VAL . 32.3 m -114.78 113.85 24.8 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 120.937 0.399 . . . . 0.0 110.727 176.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 65.6 t -102.86 107.45 22.05 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 56.9 mt -101.39 114.1 39.59 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 8.5 t -100.93 100.65 11.31 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.279 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.501 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 93.3 m-85 -88.74 99.7 12.56 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.5 t -88.88 132.7 33.04 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -175.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1614 ' ' CYS . . . . . 0.433 ' HB3' ' HB3' ' A' 1586 ' ' GLN . 22.6 t -56.13 99.51 0.03 OUTLIER 'General case' 0 C--O 1.244 0.791 0 O-C-N 124.427 1.08 . . . . 0.0 109.54 174.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -127.45 98.51 28.9 Favored Pre-proline 0 N--CA 1.42 -1.946 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.341 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -70.11 -12.42 32.2 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.26 2.64 . . . . 0.0 110.62 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -80.6 41.59 0.56 Allowed 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.833 1.653 . . . . 0.0 110.011 176.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -66.53 -179.42 0.83 Allowed 'General case' 0 C--O 1.242 0.68 0 C-N-CA 125.161 1.384 . . . . 0.0 112.851 -176.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 112.56 -118.1 4.53 Favored Glycine 0 N--CA 1.433 -1.523 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.16 -10.15 25.44 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.265 1.977 . . . . 0.0 111.433 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1621 ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' 1641 ' ' HIS . 1.5 m -83.26 -16.32 46.82 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.843 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 60.2 t30 -79.52 64.49 4.42 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 122.052 0.929 . . . . 0.0 109.641 -176.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -133.69 144.39 51.76 Favored Pre-proline 0 C--N 1.31 -1.111 0 CA-C-N 115.146 -0.933 . . . . 0.0 109.705 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -75.9 127.68 10.25 Favored 'Trans proline' 0 C--O 1.247 0.932 0 C-N-CA 122.439 2.093 . . . . 0.0 108.977 170.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 50.3 ttm -134.45 131.17 37.8 Favored 'General case' 0 C--N 1.291 -1.939 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.688 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1626 ' ' LEU . . . . . 0.422 HD12 ' O ' ' A' 1637 ' ' PHE . 42.2 tp -70.7 117.99 12.92 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 173.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 46.9 mm -91.57 -41.22 13.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 -176.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.1 t -152.21 138.53 18.46 Favored 'General case' 0 N--CA 1.432 -1.348 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.293 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.25 104.93 15.11 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 105.844 -1.91 . . . . 0.0 105.844 177.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -107.08 102.52 11.85 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 119.747 -0.781 . . . . 0.0 109.595 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -84.22 -3.27 58.07 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.105 0.479 . . . . 0.0 110.814 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -86.45 -50.84 6.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.034 0.445 . . . . 0.0 110.252 -177.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 41.7 p -96.17 2.03 52.76 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.574 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 76.8 m 60.16 47.12 9.73 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 114.368 -1.287 . . . . 0.0 111.21 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 36.2 m -120.28 123.35 42.97 Favored 'General case' 0 N--CA 1.418 -2.063 0 CA-C-O 121.337 0.589 . . . . 0.0 111.122 -175.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1636 ' ' LEU . . . . . 0.437 ' HB3' ' CE2' ' A' 1638 ' ' PHE . 4.1 mm? -96.35 116.8 29.62 Favored 'General case' 0 N--CA 1.424 -1.763 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 174.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1637 ' ' PHE . . . . . 0.422 ' O ' HD12 ' A' 1626 ' ' LEU . 93.9 m-85 -99.52 107.85 20.13 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.336 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1638 ' ' PHE . . . . . 0.437 ' CE2' ' HB3' ' A' 1636 ' ' LEU . 88.1 m-85 -114.5 141.19 48.03 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 25.8 t -128.02 144.0 51.09 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -125.53 136.47 53.37 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1641 ' ' HIS . . . . . 0.47 ' HB2' ' O ' ' A' 1621 ' ' THR . 37.0 m-70 -104.95 103.49 13.06 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -178.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 6.9 t -139.67 143.99 37.36 Favored Pre-proline 0 C--N 1.313 -0.995 0 CA-C-O 121.398 0.618 . . . . 0.0 111.961 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.31 -1.1 11.27 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 123.242 2.628 . . . . 0.0 111.455 175.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 95.6 mt -75.95 -11.27 59.93 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.372 0.606 . . . . 0.0 110.397 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.88 8.84 43.48 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.683 0.754 . . . . 0.0 109.297 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 58.3 m -109.79 163.61 13.35 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -75.97 77.02 2.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.289 0.566 . . . . 0.0 110.216 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 47.0 tp -136.38 152.48 50.67 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.287 -2.137 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 52.0 ttm . . . . . 0 C--O 1.24 0.59 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 62.4 tttm 66.25 41.26 3.48 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 122.046 0.927 . . . . 0.0 109.326 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 24.0 p -80.46 -26.79 38.1 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.884 -177.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 9.5 t30 -73.85 -48.02 34.12 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.812 0.815 . . . . 0.0 109.859 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.95 64.55 1.43 Allowed 'General case' 0 C--N 1.29 -2.021 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.085 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -72.44 134.65 45.48 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.483 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1514 ' ' ASP . . . . . 0.404 ' HA ' ' HD2' ' A' 1579 ' ' LYS . 7.2 m-20 -76.74 102.19 6.13 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.858 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -90.07 -57.33 2.89 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 174.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 4.8 t 50.84 47.68 24.22 Favored 'General case' 0 C--O 1.255 1.391 0 C-N-CA 124.253 1.021 . . . . 0.0 111.221 174.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -150.98 142.22 23.24 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.567 -178.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 58.2 t -116.78 137.33 50.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 18.6 m -134.35 118.57 17.62 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 174.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 15.2 m120 -84.15 111.46 33.63 Favored Pre-proline 0 C--N 1.3 -1.573 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -59.15 -25.84 79.54 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.224 2.616 . . . . 0.0 112.264 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 4.8 p -65.17 -60.93 2.47 Favored 'General case' 0 N--CA 1.424 -1.766 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.473 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 23.2 p -87.58 -42.14 12.93 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 107.39 -4.78 35.23 Favored Glycine 0 N--CA 1.435 -1.37 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.157 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . 0.271 4.6 p-80 -81.0 143.32 32.61 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -176.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 44.5 tp -107.6 136.01 48.08 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 124.965 1.306 . . . . 0.0 111.162 -174.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -115.12 128.79 56.43 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 174.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 8.0 t70 -135.67 136.2 40.73 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 85.9 mt -117.76 23.09 11.93 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 177.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1530 ' ' SER . . . . . 0.459 ' HA ' ' OG ' ' A' 1533 ' ' SER . 29.5 t -63.96 -23.92 67.52 Favored 'General case' 0 C--O 1.248 1.025 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -175.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 36.6 p -77.07 -20.85 55.29 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 120.795 0.331 . . . . 0.0 111.285 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 87.9 mt -105.94 -18.46 14.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.742 0.306 . . . . 0.0 111.174 -177.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1533 ' ' SER . . . . . 0.459 ' OG ' ' HA ' ' A' 1530 ' ' SER . 50.7 p -75.95 119.12 19.48 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.374 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -149.33 154.7 25.92 Favored Glycine 0 N--CA 1.427 -1.907 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1535 ' ' ARG . . . . . 0.57 ' O ' ' HA ' ' A' 1556 ' ' ASN . 27.1 mmt180 -74.34 -25.72 59.7 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.35 0.575 . . . . 0.0 110.114 -175.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -82.82 -34.53 26.9 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.29 0.567 . . . . 0.0 109.986 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1537 ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' 1551 ' ' SER . . . 69.97 -114.15 5.39 Favored Glycine 0 N--CA 1.436 -1.301 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.934 175.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 55.2 t80 -148.12 138.49 22.81 Favored 'General case' 0 N--CA 1.427 -1.624 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 55.4 m -107.47 116.58 32.19 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -112.76 108.8 17.94 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.865 -178.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -93.19 104.59 16.77 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1542 ' ' TYR . . . . . 0.445 ' CZ ' ' HB2' ' A' 1626 ' ' LEU . 97.6 m-85 -88.5 140.88 29.01 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -75.12 50.01 0.47 Allowed 'General case' 0 C--N 1.316 -0.872 0 O-C-N 123.902 0.751 . . . . 0.0 112.103 -176.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 22.4 tptm -144.21 22.47 1.7 Allowed 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 177.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 71.94 34.08 62.28 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 114.542 -1.208 . . . . 0.0 112.414 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 35.2 m0 -121.06 98.76 6.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.967 0.384 . . . . 0.0 111.095 -178.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -93.42 92.71 1.64 Allowed Glycine 0 N--CA 1.436 -1.319 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 174.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 57.7 t -86.64 121.74 37.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 CA-C-O 121.031 0.443 . . . . 0.0 110.423 -176.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -104.49 104.7 14.6 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 17.0 ptm -127.18 137.4 52.93 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.296 -172.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1551 ' ' SER . . . . . 0.436 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 30.9 t -94.38 150.8 19.93 Favored 'General case' 0 N--CA 1.429 -1.51 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 1.9 mp -105.45 104.53 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.607 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 176.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 35.7 t 67.71 67.02 0.37 Allowed 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.395 1.059 . . . . 0.0 110.074 175.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 151.65 -149.07 20.75 Favored Glycine 0 N--CA 1.424 -2.112 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.738 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -107.19 151.95 24.73 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 125.197 1.399 . . . . 0.0 110.446 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.57 ' HA ' ' O ' ' A' 1535 ' ' ARG . 3.2 t-20 -100.81 113.2 25.91 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -66.56 -11.0 50.95 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 17.5 m120 -82.94 1.77 37.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.766 0.793 . . . . 0.0 109.382 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 78.9 m -135.21 177.28 2.31 Favored Pre-proline 0 C--N 1.297 -1.677 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -56.53 128.52 30.41 Favored 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 121.444 1.43 . . . . 0.0 110.404 173.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -59.89 99.79 0.13 Allowed 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 122.759 2.306 . . . . 0.0 110.627 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 152.68 -25.8 0.84 Allowed Glycine 0 N--CA 1.425 -2.048 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 -176.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 54.8 t -88.26 137.58 20.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 174.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -101.02 -23.95 9.41 Favored Glycine 0 C--N 1.312 -0.782 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.73 -176.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -151.79 137.57 17.98 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 120.962 0.411 . . . . 0.0 110.528 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 71.9 m -123.77 133.37 53.85 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.837 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 87.7 t80 -97.87 116.85 30.91 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.372 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 80.81 173.29 46.99 Favored Glycine 0 N--CA 1.437 -1.291 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.641 175.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -72.63 -13.52 61.39 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.342 0.591 . . . . 0.0 109.857 177.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 18.8 m -72.07 -16.74 62.03 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 121.929 0.871 . . . . 0.0 109.535 174.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 60.5 40.93 16.42 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 125.208 1.403 . . . . 0.0 112.786 176.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 65.4 mt -72.4 129.97 35.58 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 5.7 p -61.56 110.8 1.58 Allowed 'General case' 0 N--CA 1.434 -1.231 0 CA-C-O 121.517 0.675 . . . . 0.0 111.518 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.457 HG23 ' HB3' ' A' 1606 ' ' TYR . 11.0 p -113.19 17.18 7.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-O 122.537 1.161 . . . . 0.0 108.937 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 167.58 136.1 1.98 Allowed Glycine 0 N--CA 1.426 -1.971 0 CA-C-N 114.492 -1.231 . . . . 0.0 112.704 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 27.3 tptp -86.34 149.16 25.23 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -56.68 120.82 8.45 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -176.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 31.9 t30 -138.23 136.97 37.08 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1579 ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' A' 1514 ' ' ASP . 20.1 pttm -130.71 15.06 5.38 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 121.728 0.775 . . . . 0.0 109.899 -177.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -90.57 107.99 19.52 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.268 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 41.3 mt -79.78 137.91 37.12 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.993 176.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -122.19 113.23 19.19 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 88.3 t80 -85.5 100.2 11.74 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 28.2 m -135.64 141.11 43.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.351 -177.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 20.9 t70 57.46 37.52 27.84 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 122.244 1.021 . . . . 0.0 110.871 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 64.94 16.8 10.75 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 114.52 -1.218 . . . . 0.0 113.105 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 33.2 m -134.12 163.77 36.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 91.7 mt -96.28 117.23 30.38 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -100.71 124.57 46.5 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.936 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 21.6 mt -114.72 123.04 48.26 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 169.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.7 p -128.43 123.8 60.61 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.273 0 CA-C-O 121.274 0.559 . . . . 0.0 109.973 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -102.86 102.93 13.06 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -98.24 -174.84 2.95 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 60.77 54.94 3.41 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 121.664 0.745 . . . . 0.0 112.522 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -98.45 -148.02 22.96 Favored Glycine 0 N--CA 1.427 -1.916 0 N-CA-C 109.198 -1.561 . . . . 0.0 109.198 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 37.9 t -73.09 134.76 80.46 Favored Pre-proline 0 C--N 1.297 -1.676 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.95 118.02 5.23 Favored 'Trans proline' 0 C--O 1.242 0.696 0 C-N-CA 122.685 2.257 . . . . 0.0 111.444 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 81.8 m -76.74 136.99 66.69 Favored Pre-proline 0 C--N 1.307 -1.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.511 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.68 1.09 5.39 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.093 2.529 . . . . 0.0 112.918 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 7.3 p -70.2 -22.24 62.95 Favored 'General case' 0 N--CA 1.433 -1.289 0 C-N-CA 122.917 0.487 . . . . 0.0 110.492 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 72.88 -44.31 0.59 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.277 1.431 . . . . 0.0 113.594 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 9.7 m -79.13 102.57 8.53 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 175.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 79.47 48.71 6.6 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 119.943 -1.122 . . . . 0.0 110.354 -175.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.15 87.09 2.42 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -175.747 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 38.1 t 174.59 134.15 0.04 OUTLIER 'General case' 0 CA--C 1.494 -1.197 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.462 175.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.457 ' HB3' HG23 ' A' 1574 ' ' VAL . 66.0 m-85 -69.06 137.54 53.65 Favored 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 107.235 -1.395 . . . . 0.0 107.235 167.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -149.36 134.75 18.39 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.493 0.663 . . . . 0.0 111.403 -177.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 20.3 m -108.98 126.38 53.05 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.136 -178.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 63.1 t -112.89 113.85 45.28 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1610 ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' 1638 ' ' PHE . 53.7 mt -107.69 123.64 63.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 178.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 19.8 m -116.47 115.61 26.13 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-O 121.211 0.529 . . . . 0.0 110.37 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1612 ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -85.77 113.87 22.28 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 65.7 t -104.44 140.18 23.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 28.7 t -63.88 126.47 27.75 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.736 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -150.16 102.54 3.16 Favored Pre-proline 0 N--CA 1.424 -1.754 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 171.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -54.47 -21.88 25.53 Favored 'Trans proline' 0 N--CA 1.486 1.057 0 C-N-CA 124.046 3.164 . . . . 0.0 114.533 -176.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -101.6 2.71 39.2 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 122.14 -0.35 . . . . 0.0 111.551 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . 60.52 -160.2 0.3 Allowed 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.887 0.875 . . . . 0.0 110.134 -176.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -104.6 175.67 22.68 Favored Glycine 0 N--CA 1.43 -1.719 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -70.19 -34.83 12.44 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 CA-C-N 119.662 1.731 . . . . 0.0 111.444 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 3.2 p -110.89 -23.35 11.04 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 5.9 m-20 60.24 76.1 0.38 Allowed 'General case' 0 CA--C 1.511 -0.536 0 C-N-CA 124.106 0.962 . . . . 0.0 110.734 -175.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -151.34 158.68 34.34 Favored Pre-proline 0 C--N 1.302 -1.499 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.641 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.406 ' HD3' ' CZ3' ' A' 1640 ' ' TRP . 80.6 Cg_endo -80.47 141.23 13.94 Favored 'Trans proline' 0 N--CA 1.445 -1.339 0 C-N-CA 121.972 1.781 . . . . 0.0 110.281 174.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1625 ' ' MET . . . . . 0.47 ' O ' ' HA ' ' A' 1638 ' ' PHE . 20.3 ptp -116.62 148.48 40.91 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1626 ' ' LEU . . . . . 0.445 ' HB2' ' CZ ' ' A' 1542 ' ' TYR . 1.7 tt -94.34 108.4 20.31 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 107.551 -1.278 . . . . 0.0 107.551 -175.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.3 mm -86.94 -48.17 15.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.912 -175.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 23.0 t -141.03 145.0 35.31 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.35 105.71 11.57 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -177.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -101.92 113.13 26.07 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.897 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -84.56 -2.63 57.67 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.368 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -84.68 -53.25 5.5 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.215 0.531 . . . . 0.0 109.752 -175.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 23.6 p -105.69 12.07 31.46 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.893 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 65.5 m 53.01 41.33 32.16 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.645 177.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 30.1 m -106.25 120.46 41.9 Favored 'General case' 0 N--CA 1.424 -1.774 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.434 -176.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.6 mp -103.09 127.82 50.21 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 176.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -99.37 116.78 32.33 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.876 -177.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1638 ' ' PHE . . . . . 0.47 ' HA ' ' O ' ' A' 1625 ' ' MET . 91.8 m-85 -118.56 137.28 53.34 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 54.9 p -123.97 139.48 53.92 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1640 ' ' TRP . . . . . 0.406 ' CZ3' ' HD3' ' A' 1624 ' ' PRO . 2.0 t90 -124.21 132.05 53.58 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 177.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 61.5 m80 -99.15 107.86 20.32 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.8 t -140.15 145.14 40.54 Favored Pre-proline 0 C--N 1.306 -1.321 0 CA-C-O 121.264 0.554 . . . . 0.0 110.789 -175.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1643 ' ' PRO . . . . . 0.633 ' HA ' ' SG ' ' A' 1646 ' ' CYS . 74.8 Cg_endo -77.33 -4.92 15.23 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.169 2.579 . . . . 0.0 110.977 175.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 92.5 mt -82.78 -3.32 56.46 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.391 0.615 . . . . 0.0 110.276 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -109.04 14.34 24.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.922 0.868 . . . . 0.0 108.836 175.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1646 ' ' CYS . . . . . 0.633 ' SG ' ' HA ' ' A' 1643 ' ' PRO . 70.9 m -98.27 149.39 22.65 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.37 -178.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -70.54 75.79 0.57 Allowed 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 124.588 1.155 . . . . 0.0 110.05 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 58.7 tp -130.42 125.58 34.86 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.584 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.66 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 176.67 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 53.6 tpp . . . . . 0 C--O 1.238 0.499 0 CA-C-O 120.752 0.31 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 21.4 pttp -127.55 46.56 2.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -175.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 15.4 m 61.25 29.06 18.5 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 174.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 7.3 t30 -79.54 -38.86 33.25 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1512 ' ' GLU . . . . . 0.475 ' OE1' ' HD2' ' A' 1535 ' ' ARG . 32.2 mm-40 -91.21 156.32 17.93 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 114.262 -1.335 . . . . 0.0 109.679 -178.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 80.1 m80 -119.34 88.78 3.0 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -136.59 111.62 8.94 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 122.086 0.946 . . . . 0.0 109.795 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -70.86 -64.95 0.8 Allowed 'General case' 0 CA--C 1.488 -1.415 0 CA-C-N 114.282 -1.326 . . . . 0.0 108.506 175.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1516 ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' 1529 ' ' LEU . 5.7 t 56.63 40.47 29.31 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-O 122.631 1.205 . . . . 0.0 108.971 176.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -158.49 162.0 37.44 Favored 'General case' 0 N--CA 1.423 -1.794 0 CA-C-N 114.006 -1.452 . . . . 0.0 107.638 -175.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 14.8 p -159.67 140.49 4.06 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 5.8 m -106.16 133.39 50.94 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 120.656 0.265 . . . . 0.0 110.454 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 15.3 m120 -92.39 110.76 46.88 Favored Pre-proline 0 C--N 1.311 -1.066 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.18 -15.25 45.79 Favored 'Trans proline' 0 C--O 1.241 0.673 0 C-N-CA 122.672 2.248 . . . . 0.0 113.967 -174.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 7.6 p -79.8 -64.41 1.19 Allowed 'General case' 0 N--CA 1.433 -1.276 0 C-N-CA 123.105 0.562 . . . . 0.0 111.619 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 29.0 p -82.61 -16.71 47.4 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.078 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 79.44 11.96 84.3 Favored Glycine 0 N--CA 1.439 -1.145 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 32.6 m170 -89.44 143.91 26.46 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.481 -0.36 . . . . 0.0 110.036 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.8 tt -120.83 129.05 53.39 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -95.47 122.86 38.64 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 120.631 0.253 . . . . 0.0 110.425 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -112.09 122.38 47.59 Favored 'General case' 0 CA--C 1.484 -1.582 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.16 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1529 ' ' LEU . . . . . 0.456 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 97.6 mt -111.04 20.69 17.21 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 172.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 3.0 p -60.35 -36.19 77.42 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 123.979 0.912 . . . . 0.0 113.022 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 19.4 m -71.56 -16.83 62.32 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.374 0.606 . . . . 0.0 110.82 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 78.1 mt -102.18 -18.08 15.69 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.145 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 43.7 t -64.83 143.88 57.64 Favored 'General case' 0 C--O 1.255 1.386 0 CA-C-O 121.127 0.489 . . . . 0.0 110.515 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . 172.88 147.94 6.07 Favored Glycine 0 N--CA 1.423 -2.185 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1535 ' ' ARG . . . . . 0.507 ' O ' ' HA ' ' A' 1556 ' ' ASN . 72.4 mtp180 -82.04 -30.19 31.57 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 120.939 0.4 . . . . 0.0 110.762 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -75.8 -30.34 59.02 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1537 ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 56.84 -108.8 1.35 Allowed Glycine 0 CA--C 1.493 -1.332 0 CA-C-N 114.079 -1.419 . . . . 0.0 113.73 173.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 52.2 t80 -160.39 157.97 28.73 Favored 'General case' 0 N--CA 1.428 -1.552 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 62.9 m -130.81 115.37 16.52 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.019 0.438 . . . . 0.0 109.917 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -117.22 128.43 55.08 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.351 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -90.88 125.9 35.88 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.164 0.507 . . . . 0.0 111.222 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -126.18 171.49 10.84 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.24 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -63.62 139.51 58.78 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 175.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 11.7 mptt 72.99 -38.86 0.43 Allowed 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 125.327 1.451 . . . . 0.0 112.247 -177.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -117.06 82.19 0.32 Allowed Glycine 0 N--CA 1.431 -1.697 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -77.53 54.6 1.19 Allowed 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.426 0.631 . . . . 0.0 111.435 -176.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . 146.56 90.79 0.1 OUTLIER Glycine 0 N--CA 1.416 -2.697 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 51.5 t -94.76 107.66 19.73 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.165 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -88.99 104.0 16.57 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1550 ' ' MET . . . . . 0.421 ' O ' ' HA3' ' A' 1537 ' ' GLY . 22.3 ptm -116.72 127.87 54.79 Favored 'General case' 0 C--N 1.282 -2.34 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.914 -173.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1551 ' ' SER . . . . . 0.486 ' OG ' ' HA ' ' A' 1535 ' ' ARG . 42.3 t -96.32 142.81 28.01 Favored 'General case' 0 N--CA 1.417 -2.087 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 174.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 64.9 mt -102.37 107.39 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.341 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 60.1 m 72.94 16.85 4.35 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.084 1.354 . . . . 0.0 113.631 177.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . -154.6 -163.32 11.88 Favored Glycine 0 CA--C 1.497 -1.049 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -178.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1555 ' ' GLU . . . . . 0.596 ' OE1' ' HA ' ' A' 1561 ' ' PRO . 9.3 pt-20 -106.92 134.13 50.53 Favored 'General case' 0 C--O 1.249 1.033 0 CA-C-O 121.172 0.511 . . . . 0.0 111.074 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.507 ' HA ' ' O ' ' A' 1535 ' ' ARG . 26.1 t-20 -72.2 136.63 46.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.055 -174.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -67.91 -16.24 63.98 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.137 0.975 . . . . 0.0 113.371 -175.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 16.2 m120 -107.93 23.64 14.17 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 83.9 m -134.14 152.71 78.82 Favored Pre-proline 0 C--N 1.3 -1.58 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.756 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.01 149.01 21.98 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 123.472 2.781 . . . . 0.0 111.647 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1561 ' ' PRO . . . . . 0.596 ' HA ' ' OE1' ' A' 1555 ' ' GLU . 16.5 Cg_endo -56.4 110.17 0.54 Allowed 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.437 2.758 . . . . 0.0 112.599 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 112.88 -8.59 25.55 Favored Glycine 0 N--CA 1.436 -1.334 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.943 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 89.8 t -88.64 124.72 41.7 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 117.206 0.503 . . . . 0.0 110.376 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -84.75 -31.91 22.86 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.803 -175.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -151.89 142.67 22.89 Favored 'General case' 0 C--N 1.31 -1.123 0 O-C-N 122.508 -0.407 . . . . 0.0 111.06 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 74.2 m -122.16 135.84 54.83 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.228 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 84.5 t80 -98.71 114.66 27.27 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.744 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 86.03 173.56 49.36 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.712 -0.676 . . . . 0.0 113.181 174.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -71.52 -16.86 62.35 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 4.6 m -67.89 -21.15 65.16 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.152 177.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 66.67 34.16 5.95 Favored 'General case' 0 CA--C 1.501 -0.919 0 C-N-CA 125.165 1.386 . . . . 0.0 113.036 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.18 118.13 8.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.953 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 12.1 p -61.98 111.01 1.74 Allowed 'General case' 0 N--CA 1.432 -1.335 0 CA-C-O 121.451 0.644 . . . . 0.0 111.785 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.426 HG23 ' HB3' ' A' 1606 ' ' TYR . 11.6 p -101.35 20.39 2.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-O 122.291 1.043 . . . . 0.0 109.607 -178.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 152.91 149.53 5.17 Favored Glycine 0 N--CA 1.429 -1.816 0 C-N-CA 120.054 -1.07 . . . . 0.0 114.12 175.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 48.6 tptt -77.71 150.76 34.42 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -70.83 112.63 7.17 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 122.938 0.495 . . . . 0.0 110.807 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -121.06 156.52 32.04 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.108 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 22.5 pttp -133.7 7.54 3.81 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 121.29 0.566 . . . . 0.0 109.696 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -80.64 93.19 6.09 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.734 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.416 HD13 ' HB3' ' A' 1588 ' ' LEU . 46.8 tp -84.41 125.04 31.97 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.797 -178.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -107.86 141.78 38.93 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.896 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 40.6 p90 -107.42 104.41 13.98 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 174.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 15.6 m -127.49 106.18 14.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 121.918 -0.489 . . . . 0.0 112.141 -176.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 37.5 t70 58.27 52.15 7.69 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 122.397 1.094 . . . . 0.0 111.12 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 15.3 mp0 67.75 5.87 4.71 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 176.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 7.2 p -116.94 128.98 74.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.416 ' HB3' HD13 ' A' 1581 ' ' LEU . 90.0 mt -82.88 132.14 35.17 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -129.4 131.43 46.8 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 119.846 -0.742 . . . . 0.0 112.202 -174.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 68.7 mt -116.1 124.9 51.54 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 173.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.1 p -120.05 115.92 48.81 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 CA-C-O 122.047 0.927 . . . . 0.0 111.263 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -99.69 102.1 13.48 Favored 'General case' 0 N--CA 1.418 -2.046 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 176.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1593 ' ' LYS . . . . . 0.409 ' HG3' ' OD2' ' A' 1594 ' ' ASP . 21.0 pttp -117.13 -172.17 2.17 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 176.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1594 ' ' ASP . . . . . 0.409 ' OD2' ' HG3' ' A' 1593 ' ' LYS . 15.4 m-20 66.85 59.62 0.56 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 122.14 0.971 . . . . 0.0 109.64 -178.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -126.77 -142.45 5.63 Favored Glycine 0 N--CA 1.427 -1.91 0 CA-C-N 114.62 -1.173 . . . . 0.0 110.297 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1596 ' ' SER . . . . . 0.555 ' O ' ' HA ' ' A' 1605 ' ' SER . 23.0 t -60.2 126.33 83.75 Favored Pre-proline 0 C--N 1.31 -1.123 0 C-N-CA 123.291 0.636 . . . . 0.0 109.828 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -72.48 163.19 39.3 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 122.869 2.379 . . . . 0.0 112.496 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 59.0 m -134.61 144.35 50.44 Favored Pre-proline 0 C--N 1.303 -1.442 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.34 3.38 3.6 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.422 2.748 . . . . 0.0 113.153 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 9.2 p -66.9 -26.92 67.1 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 123.667 0.787 . . . . 0.0 110.707 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 69.3 -69.6 0.16 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.249 1.42 . . . . 0.0 111.861 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 20.7 p -86.82 92.7 9.07 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1603 ' ' GLY . . . . . 0.497 ' O ' ' HA ' ' A' 1633 ' ' THR . . . 105.67 48.74 1.01 Allowed Glycine 0 N--CA 1.425 -2.033 0 N-CA-C 109.659 -1.376 . . . . 0.0 109.659 -174.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 1.6 pp -99.72 177.01 5.26 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 122.676 -0.308 . . . . 0.0 111.141 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1605 ' ' SER . . . . . 0.555 ' HA ' ' O ' ' A' 1596 ' ' SER . 45.4 t 80.52 124.86 0.04 OUTLIER 'General case' 0 CA--C 1.495 -1.168 0 C-N-CA 124.856 1.262 . . . . 0.0 111.82 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.475 ' HA ' ' O ' ' A' 1634 ' ' CYS . 53.5 m-85 -62.93 130.98 47.14 Favored 'General case' 0 N--CA 1.421 -1.896 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.865 171.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -131.48 139.06 49.25 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.96 -176.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 23.1 t -115.24 113.94 24.56 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 48.1 t -107.09 102.9 14.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 60.2 mt -97.67 121.15 47.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 19.2 m -115.19 119.32 35.97 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.107 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1612 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -94.65 99.9 11.94 Favored 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 -179.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 39.9 t -84.75 132.64 31.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 CA-C-N 115.423 -0.808 . . . . 0.0 108.876 -176.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 44.7 t -61.41 121.97 13.98 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 114.262 -1.336 . . . . 0.0 110.62 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -135.87 86.62 26.65 Favored Pre-proline 0 C--N 1.308 -1.237 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -61.65 -21.42 72.03 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.398 2.732 . . . . 0.0 113.681 -174.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -92.17 2.7 56.43 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.661 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . 64.83 -169.64 0.2 Allowed 'General case' 0 C--O 1.242 0.681 0 C-N-CA 123.888 0.875 . . . . 0.0 110.766 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -146.34 138.33 7.38 Favored Glycine 0 N--CA 1.428 -1.897 0 C-N-CA 120.334 -0.936 . . . . 0.0 111.02 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -65.33 -24.79 57.31 Favored 'Trans proline' 0 C--O 1.24 0.577 0 C-N-CA 122.965 2.443 . . . . 0.0 112.968 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 4.5 m -99.24 -39.65 8.34 Favored 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 46.9 t-20 47.13 80.34 0.05 Allowed 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.177 0.991 . . . . 0.0 109.844 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -146.48 157.31 48.69 Favored Pre-proline 0 C--N 1.318 -0.8 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.102 -169.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -80.66 146.98 17.17 Favored 'Trans proline' 0 N--CA 1.449 -1.144 0 C-N-CA 122.241 1.961 . . . . 0.0 109.238 169.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 23.4 ptp -138.65 146.9 42.23 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.9 tt -88.32 118.69 28.11 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.2 mm -100.1 -48.97 11.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.592 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 28.7 t -136.43 141.94 43.62 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1629 ' ' LEU . . . . . 0.41 HD22 ' HG ' ' A' 1636 ' ' LEU . 2.0 tm? -128.81 122.0 29.52 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.734 -177.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -117.99 107.46 14.07 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -66.52 -32.93 74.58 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.093 0.557 . . . . 0.0 110.976 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -68.31 -55.6 11.54 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.1 -0.955 . . . . 0.0 112.196 -173.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1633 ' ' THR . . . . . 0.497 ' HA ' ' O ' ' A' 1603 ' ' GLY . 27.5 p -90.93 3.68 53.95 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 121.009 0.433 . . . . 0.0 111.193 -178.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1634 ' ' CYS . . . . . 0.475 ' O ' ' HA ' ' A' 1606 ' ' TYR . 62.1 m 57.71 32.71 22.27 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.069 0.948 . . . . 0.0 111.193 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 26.7 m -105.64 128.8 53.85 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.795 -175.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1636 ' ' LEU . . . . . 0.41 ' HG ' HD22 ' A' 1629 ' ' LEU . 5.6 mp -111.71 131.11 55.53 Favored 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 177.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -105.96 116.26 31.64 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.29 -178.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -113.64 140.67 48.02 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.969 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 23.5 t -121.34 134.64 55.14 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -122.13 130.81 53.57 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 176.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -106.67 108.0 19.29 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 7.5 t -138.85 146.9 52.05 Favored Pre-proline 0 C--N 1.317 -0.833 0 CA-C-O 121.037 0.446 . . . . 0.0 110.395 -174.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -74.59 -12.29 22.41 Favored 'Trans proline' 0 C--N 1.362 1.263 0 C-N-CA 123.155 2.57 . . . . 0.0 111.489 176.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 97.4 mt -76.69 -9.46 58.69 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.446 0.641 . . . . 0.0 110.494 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.52 12.9 29.87 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.939 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 53.4 m -121.2 135.24 55.18 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -81.66 97.02 7.7 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 173.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 91.8 mt -93.85 133.27 37.43 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.475 -173.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.693 0 CA-C-O 118.585 -0.721 . . . . 0.0 109.486 179.323 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 CA--C 1.498 -1.034 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 65.3 tttp -80.08 88.28 5.41 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.76 0.79 . . . . 0.0 110.81 -178.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 44.8 m -149.51 52.95 0.94 Allowed 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -85.11 -1.62 57.08 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.635 -176.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -78.54 66.04 3.97 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.607 0.718 . . . . 0.0 110.941 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 34.2 m80 -100.33 108.6 20.68 Favored 'General case' 0 CA--C 1.485 -1.536 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.805 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1514 ' ' ASP . . . . . 0.494 ' HB3' ' HA ' ' A' 1580 ' ' ARG . 4.2 m-20 62.4 86.19 0.12 Allowed 'General case' 0 C--N 1.319 -0.737 0 O-C-N 124.447 1.092 . . . . 0.0 112.026 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -110.17 53.51 0.69 Allowed 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1516 ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' 1528 ' ' ASP . 98.6 m 58.83 46.55 13.83 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.156 -177.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1517 ' ' GLN . . . . . 0.674 ' HA ' ' O ' ' A' 1527 ' ' PHE . 25.8 pt20 -139.52 128.26 23.28 Favored 'General case' 0 N--CA 1.417 -2.116 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.718 174.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 58.2 t -131.36 121.08 47.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1519 ' ' THR . . . . . 0.459 ' O ' ' HD3' ' A' 1521 ' ' PRO . 18.5 m -94.02 116.24 28.65 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 175.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -93.82 105.47 16.96 Favored Pre-proline 0 C--N 1.302 -1.484 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 175.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1521 ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' 1519 ' ' THR . 33.5 Cg_exo -61.73 -24.74 77.96 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.287 2.658 . . . . 0.0 113.891 -176.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.6 m -70.55 -28.23 64.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.971 0.415 . . . . 0.0 111.193 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1523 ' ' THR . . . . . 0.447 ' HB ' ' HB3' ' A' 1649 ' ' ALA . 7.6 p -113.85 -26.62 8.09 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 81.9 15.9 73.97 Favored Glycine 0 CA--C 1.502 -0.755 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 24.3 t60 -96.7 118.92 34.2 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 114.946 -0.627 . . . . 0.0 109.627 -176.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 61.0 tp -86.64 110.26 19.73 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.094 176.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.674 ' O ' ' HA ' ' A' 1517 ' ' GLN . 98.0 m-85 -78.66 119.57 22.09 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 178.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1528 ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' A' 1516 ' ' CYS . 1.1 p-10 -131.78 149.51 52.45 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 173.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.1 mt -117.42 28.16 8.64 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-O 120.913 0.387 . . . . 0.0 110.463 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 2.5 m -65.2 -33.56 76.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -175.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 27.4 t -70.09 -17.64 63.23 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.458 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 86.5 mt -112.18 7.57 19.57 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.571 0.701 . . . . 0.0 109.399 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 23.0 t -96.37 119.27 34.55 Favored 'General case' 0 N--CA 1.425 -1.713 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -130.93 139.99 11.4 Favored Glycine 0 C--N 1.297 -1.602 0 N-CA-C 110.504 -1.039 . . . . 0.0 110.504 -178.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -71.46 -29.08 64.44 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -176.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -87.99 -33.73 18.3 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.505 0.669 . . . . 0.0 110.169 177.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 85.74 -164.78 37.85 Favored Glycine 0 N--CA 1.432 -1.584 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.872 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -121.05 129.8 53.5 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 37.8 m -96.42 109.71 22.21 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 173.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -98.16 106.62 18.94 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.074 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1541 ' ' ALA . . . . . 0.441 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -88.59 104.31 16.72 Favored 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -84.72 114.54 22.12 Favored 'General case' 0 C--N 1.286 -2.155 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.957 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . 57.81 25.19 11.66 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.779 1.232 . . . . 0.0 110.896 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 59.15 15.52 4.2 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.823 1.249 . . . . 0.0 112.105 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -96.43 -58.88 1.05 Allowed Glycine 0 N--CA 1.43 -1.71 0 N-CA-C 111.424 -0.671 . . . . 0.0 111.424 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 25.8 p90 -117.26 116.19 26.75 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-O 121.534 0.683 . . . . 0.0 111.211 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1547 ' ' GLY . . . . . 0.441 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . -96.71 105.77 3.26 Favored Glycine 0 N--CA 1.433 -1.532 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.212 178.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 58.6 t -86.47 117.07 30.26 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1549 ' ' TYR . . . . . 0.433 ' CE2' ' HA ' ' A' 1569 ' ' GLN . 89.9 m-85 -81.98 110.61 17.39 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 105.529 -2.026 . . . . 0.0 105.529 173.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 19.2 ptm -136.33 133.64 37.08 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 118.946 -1.102 . . . . 0.0 112.433 -177.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1551 ' ' SER . . . . . 0.47 ' HB2' ' HB3' ' A' 1556 ' ' ASN . 41.7 t -108.1 148.79 29.34 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 176.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 1.9 mp -99.14 116.32 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.141 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 83.9 m 73.73 55.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.318 1.011 . . . . 0.0 112.83 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 149.36 -162.15 28.95 Favored Glycine 0 N--CA 1.429 -1.793 0 C-N-CA 120.008 -1.092 . . . . 0.0 111.992 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.85 147.04 25.94 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.47 ' HB3' ' HB2' ' A' 1551 ' ' SER . 8.1 p30 -100.01 132.74 45.18 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -74.51 4.57 5.83 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -97.96 11.33 37.83 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 175.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 55.9 m -140.98 170.72 8.82 Favored Pre-proline 0 N--CA 1.442 -0.85 0 C-N-CA 126.615 1.966 . . . . 0.0 107.323 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -63.06 124.03 13.25 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.844 1.696 . . . . 0.0 110.169 175.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.26 114.08 1.49 Allowed 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 122.921 2.414 . . . . 0.0 110.93 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 136.45 -31.26 2.61 Favored Glycine 0 N--CA 1.432 -1.625 0 N-CA-C 108.858 -1.697 . . . . 0.0 108.858 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 58.5 t -88.65 131.64 35.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -86.1 -41.53 7.04 Favored Glycine 0 C--O 1.245 0.822 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.229 -176.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -143.74 147.24 33.91 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 63.8 m -129.16 135.23 48.58 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.576 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 67.2 t80 -89.22 114.41 25.74 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 89.76 163.75 39.49 Favored Glycine 0 N--CA 1.428 -1.849 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.782 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1569 ' ' GLN . . . . . 0.433 ' HA ' ' CE2' ' A' 1549 ' ' TYR . 28.8 mm-40 -79.82 3.23 20.26 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.105 0.479 . . . . 0.0 110.758 -178.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 4.2 m -87.04 -2.71 58.83 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.774 177.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 65.52 36.16 6.79 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.503 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 87.9 mt -72.6 115.04 12.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 16.5 p -63.08 124.24 20.63 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -175.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1574 ' ' VAL . . . . . . . . . . . . . 13.3 p -118.1 33.23 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-O 123.469 1.604 . . . . 0.0 108.255 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 136.78 142.68 4.47 Favored Glycine 0 N--CA 1.428 -1.896 0 CA-C-N 113.739 -1.573 . . . . 0.0 112.989 175.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.423 ' O ' ' HD1' ' A' 1592 ' ' TYR . 73.3 mmtt -80.88 158.4 25.34 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 175.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -61.49 96.11 0.06 Allowed 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 123.705 0.802 . . . . 0.0 111.236 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.0 135.5 54.59 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 177.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.15 29.92 6.26 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.188 0.518 . . . . 0.0 109.912 -175.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1580 ' ' ARG . . . . . 0.494 ' HA ' ' HB3' ' A' 1514 ' ' ASP . 47.9 mtt180 -83.01 91.56 7.19 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.872 -177.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.463 HD23 ' HB3' ' A' 1588 ' ' LEU . 12.6 mt -75.91 127.54 33.2 Favored 'General case' 0 CA--C 1.498 -1.047 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.004 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -119.52 121.61 39.78 Favored 'General case' 0 C--N 1.285 -2.221 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 173.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 42.8 t80 -95.41 99.34 11.26 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 15.6 m -127.0 123.93 63.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.484 -175.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.7 t70 52.9 52.9 12.98 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 124.373 1.069 . . . . 0.0 112.48 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 38.8 tt0 63.35 23.85 13.95 Favored 'General case' 0 CA--C 1.561 1.37 0 CA-C-N 114.094 -1.412 . . . . 0.0 112.429 173.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1587 ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' 1612 ' ' PHE . 2.6 p -140.33 135.65 36.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 O-C-N 121.916 -0.49 . . . . 0.0 110.621 176.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.489 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 64.3 mt -86.74 124.31 32.86 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.291 178.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -108.43 125.68 52.04 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.021 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 15.7 mt -114.31 132.08 56.3 Favored 'General case' 0 CA--C 1.496 -1.121 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 171.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.5 p -130.34 121.52 51.35 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 CA-C-O 121.463 0.649 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1592 ' ' TYR . . . . . 0.423 ' HD1' ' O ' ' A' 1576 ' ' LYS . 94.4 m-85 -93.42 104.67 16.8 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 177.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 67.1 mttm -93.07 158.01 16.0 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.038 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 34.3 t70 68.69 88.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 125.24 1.416 . . . . 0.0 111.489 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1595 ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' 1606 ' ' TYR . . . -120.37 -162.33 11.77 Favored Glycine 0 N--CA 1.423 -2.218 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 178.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 34.4 p -76.1 140.4 69.83 Favored Pre-proline 0 C--N 1.293 -1.876 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.81 138.14 67.13 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 123.295 2.664 . . . . 0.0 111.908 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 75.8 m -83.18 121.79 77.2 Favored Pre-proline 0 C--N 1.301 -1.542 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.959 -177.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -76.66 -18.1 15.54 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.034 1.823 . . . . 0.0 108.956 170.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 3.9 m -70.24 -51.51 30.15 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 114.58 -1.191 . . . . 0.0 108.845 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -126.09 96.14 4.63 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 18.6 m -61.33 117.28 5.44 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.095 -178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 118.85 -18.66 10.54 Favored Glycine 0 N--CA 1.431 -1.634 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.649 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 98.4 mt -107.56 166.89 10.34 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 122.459 -0.436 . . . . 0.0 110.205 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 18.4 m -136.75 144.04 43.59 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.464 ' O ' ' HA3' ' A' 1595 ' ' GLY . 93.3 m-85 -67.58 123.73 21.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.562 0.539 . . . . 0.0 110.945 -178.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -133.08 161.97 32.97 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 11.2 p -128.06 137.03 52.0 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 75.6 t -122.36 119.72 59.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 53.2 mt -103.49 122.99 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 34.1 t -103.91 105.38 15.55 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 124.688 1.195 . . . . 0.0 109.611 -177.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.489 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 86.8 m-85 -94.5 103.07 15.04 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 37.0 t -91.24 135.98 25.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.772 -173.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1614 ' ' CYS . . . . . 0.605 ' O ' ' HD2' ' A' 1615 ' ' ARG . 1.5 t -60.47 94.4 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.496 1.119 . . . . 0.0 111.676 176.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1615 ' ' ARG . . . . . 0.605 ' HD2' ' O ' ' A' 1614 ' ' CYS . 16.8 mmm180 -133.21 102.12 13.22 Favored Pre-proline 0 C--N 1.306 -1.293 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 176.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1616 ' ' PRO . . . . . 0.403 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 63.9 Cg_exo -55.73 -28.68 67.76 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 123.181 2.587 . . . . 0.0 112.951 177.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -73.74 -16.09 61.19 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.823 -0.172 . . . . 0.0 111.152 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . 64.84 -166.07 0.23 Allowed 'General case' 0 C--O 1.245 0.833 0 C-N-CA 124.038 0.935 . . . . 0.0 109.094 -175.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -133.18 85.05 0.28 Allowed Glycine 0 C--O 1.191 -2.535 0 N-CA-C 108.128 -1.989 . . . . 0.0 108.128 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -5.84 -62.51 0.0 OUTLIER 'Trans proline' 0 C--N 1.38 2.212 1 C-N-CA 127.978 5.786 . . . . 0.0 118.61 -165.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1621 ' ' THR . . . . . 0.441 ' O ' ' HG3' ' A' 1623 ' ' ARG . 5.8 p -65.12 -30.01 70.91 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 123.013 0.525 . . . . 0.0 111.738 -178.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 87.4 m-20 48.15 64.2 1.75 Allowed 'General case' 0 C--O 1.251 1.157 0 C-N-CA 124.625 1.17 . . . . 0.0 110.462 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1623 ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' 1621 ' ' THR . 42.4 mtp180 -141.72 150.71 57.9 Favored Pre-proline 0 C--N 1.31 -1.127 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -65.38 122.4 10.08 Favored 'Trans proline' 0 C--O 1.243 0.749 0 C-N-CA 122.705 2.27 . . . . 0.0 112.724 -176.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 21.7 ptp -108.78 143.36 38.03 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.6 tt -88.78 119.02 28.89 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.7 mm -98.92 -50.51 10.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 C-N-CA 121.044 -0.262 . . . . 0.0 111.2 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 12.9 m -137.04 126.78 25.5 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.279 -175.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.73 111.05 23.57 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 30.1 t70 -118.57 102.26 8.75 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.901 -0.72 . . . . 0.0 111.684 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 99.1 mttt -84.74 1.07 48.29 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.259 176.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -75.69 -45.3 37.68 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.301 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 60.2 p -105.74 -1.17 24.74 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.502 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1634 ' ' CYS . . . . . 0.419 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 99.9 m 64.01 55.78 1.51 Allowed 'General case' 0 C--O 1.238 0.488 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.308 -176.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 22.1 m -132.58 125.37 30.31 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.883 -175.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -106.07 122.02 45.32 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -97.18 113.07 24.61 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.622 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -109.19 148.14 31.4 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 28.2 t -134.64 156.36 48.87 Favored 'General case' 0 N--CA 1.42 -1.967 0 CA-C-N 118.734 0.697 . . . . 0.0 110.744 -178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -140.14 137.66 34.62 Favored 'General case' 0 N--CA 1.423 -1.795 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1641 ' ' HIS . . . . . 0.473 ' HD1' ' HG3' ' A' 1615 ' ' ARG . 25.4 m-70 -103.91 105.78 16.08 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.079 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.4 t -140.72 146.52 44.76 Favored Pre-proline 0 C--N 1.314 -0.951 0 CA-C-O 121.262 0.553 . . . . 0.0 111.778 -175.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1643 ' ' PRO . . . . . 0.403 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 60.4 Cg_endo -75.79 -10.47 19.97 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 123.192 2.594 . . . . 0.0 110.973 173.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 98.0 mt -80.53 -3.86 51.74 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.948 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -113.22 27.11 9.87 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 121.441 0.639 . . . . 0.0 109.889 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 8.6 t -132.2 137.82 47.74 Favored 'General case' 0 N--CA 1.428 -1.535 0 C-N-CA 119.702 -0.799 . . . . 0.0 111.03 -177.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.92 87.6 2.31 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 122.438 1.113 . . . . 0.0 111.128 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 71.5 mt -119.16 128.22 54.05 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1649 ' ' ALA . . . . . 0.447 ' HB3' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--N 1.295 -1.769 0 CA-C-O 118.585 -0.721 . . . . 0.0 110.862 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 97.4 mmm . . . . . 0 CA--C 1.513 -0.477 0 CA-C-O 120.965 0.412 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 22.1 pttp -89.86 46.82 1.39 Allowed 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.632 0.73 . . . . 0.0 110.376 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 14.0 p -81.24 52.99 1.93 Allowed 'General case' 0 N--CA 1.437 -1.08 0 CA-C-O 122.341 1.067 . . . . 0.0 111.201 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 17.4 m120 -94.64 14.48 20.93 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.74 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -67.11 139.3 57.52 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 177.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -147.51 66.08 1.13 Allowed 'General case' 0 C--N 1.291 -1.936 0 CA-C-O 121.136 0.494 . . . . 0.0 111.061 -175.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -139.24 -45.25 0.46 Allowed 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 119.18 -1.008 . . . . 0.0 112.807 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 31.5 t70 -107.98 47.74 0.88 Allowed 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 121.933 0.873 . . . . 0.0 111.535 -176.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 96.5 m 64.39 61.8 0.85 Allowed 'General case' 0 C--O 1.247 0.929 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 175.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -141.19 134.45 29.53 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 174.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 98.6 t -138.26 131.61 41.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 43.1 m -104.05 126.82 51.47 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 175.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 31.7 t30 -96.18 106.39 28.35 Favored Pre-proline 0 C--N 1.312 -1.046 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.24 -27.64 81.39 Favored 'Trans proline' 0 N--CA 1.48 0.694 0 C-N-CA 123.781 2.988 . . . . 0.0 114.353 -175.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 15.9 m -57.17 -53.14 61.41 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 120.84 0.352 . . . . 0.0 111.55 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 5.3 p -103.13 -18.33 14.99 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 121.118 0.485 . . . . 0.0 112.185 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 85.52 14.88 67.26 Favored Glycine 0 N--CA 1.44 -1.039 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -86.71 134.84 33.56 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.98 0.419 . . . . 0.0 110.148 -177.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.5 tt -99.63 129.99 45.82 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -101.76 125.78 48.49 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -120.79 124.96 46.35 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 123.49 0.494 . . . . 0.0 109.674 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 91.4 mt -115.56 4.59 14.22 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.187 0.518 . . . . 0.0 110.312 173.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 22.3 t -72.95 -28.28 62.33 Favored 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -177.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 18.8 m -69.55 -4.92 21.07 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.784 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 94.5 mt -111.52 12.01 21.34 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1533 ' ' SER . . . . . 0.609 ' HA ' ' O ' ' A' 1552 ' ' ILE . 25.9 t -74.88 160.26 30.86 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.067 0.46 . . . . 0.0 110.367 -179.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -175.88 136.56 3.36 Favored Glycine 0 N--CA 1.421 -2.338 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -73.75 -33.47 64.31 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 117.17 0.485 . . . . 0.0 111.083 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -89.74 -24.25 21.58 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 60.32 -113.86 5.88 Favored Glycine 0 CA--C 1.499 -0.967 0 CA-C-N 114.479 -1.237 . . . . 0.0 112.221 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 87.7 t80 -156.96 132.25 9.15 Favored 'General case' 0 N--CA 1.428 -1.569 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 176.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 29.4 m -98.23 107.0 19.36 Favored 'General case' 0 N--CA 1.424 -1.736 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 176.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -83.41 118.48 23.75 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -66.44 131.25 45.64 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.089 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 36.2 t80 -101.55 142.03 33.53 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -70.93 75.67 0.64 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.414 0.626 . . . . 0.0 111.41 -178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 23.6 tptm -173.61 -39.4 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.773 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 149.71 -39.67 0.89 Allowed Glycine 0 N--CA 1.438 -1.203 0 C-N-CA 120.098 -1.049 . . . . 0.0 112.316 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1546 ' ' TRP . . . . . 0.469 ' CD1' ' HA2' ' A' 1568 ' ' GLY . 13.5 p90 -83.59 177.48 8.4 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.807 0.337 . . . . 0.0 111.149 -178.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -134.84 156.56 22.56 Favored Glycine 0 N--CA 1.425 -2.065 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 51.8 t -98.68 116.26 41.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -83.72 104.76 14.09 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.3 ptm -129.75 136.25 49.42 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 120.256 -0.578 . . . . 0.0 112.042 -176.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 74.9 m -116.83 146.0 43.17 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.701 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1552 ' ' ILE . . . . . 0.609 ' O ' ' HA ' ' A' 1533 ' ' SER . 2.4 mp -97.58 123.03 49.77 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 75.1 m 62.51 67.39 0.72 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 123.772 0.67 . . . . 0.0 112.366 177.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.23 -170.08 26.71 Favored Glycine 0 N--CA 1.429 -1.8 0 C-N-CA 120.245 -0.979 . . . . 0.0 111.653 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.79 156.61 16.77 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -96.7 141.74 29.57 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -89.67 4.46 49.44 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-O 121.747 0.784 . . . . 0.0 111.673 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 14.5 m120 -76.98 -20.59 55.9 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 175.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1559 ' ' CYS . . . . . 0.433 ' HB3' ' HD2' ' A' 1560 ' ' PRO . 74.1 m -132.07 174.36 4.8 Favored Pre-proline 0 N--CA 1.429 -1.517 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.377 -176.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1560 ' ' PRO . . . . . 0.433 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 39.1 Cg_exo -48.83 137.63 27.32 Favored 'Trans proline' 0 C--N 1.366 1.448 0 C-N-CA 122.968 2.446 . . . . 0.0 112.549 174.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -57.13 107.49 0.29 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.01 2.473 . . . . 0.0 111.448 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 140.75 -21.36 2.69 Favored Glycine 0 N--CA 1.436 -1.33 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 42.6 t -87.11 136.76 22.27 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 176.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -99.56 -23.89 10.61 Favored Glycine 0 C--N 1.315 -0.604 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.619 -177.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -155.03 140.48 17.79 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 120.699 0.285 . . . . 0.0 110.36 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 67.2 m -125.68 133.67 52.09 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.378 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 60.7 t80 -96.44 119.86 35.69 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.505 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1568 ' ' GLY . . . . . 0.469 ' HA2' ' CD1' ' A' 1546 ' ' TRP . . . 79.91 176.93 50.08 Favored Glycine 0 N--CA 1.434 -1.48 0 CA-C-N 115.472 -0.785 . . . . 0.0 114.195 171.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -76.55 -14.77 59.99 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 14.7 m -71.65 -12.54 61.39 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.894 175.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 61.0 35.89 18.8 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 124.74 1.216 . . . . 0.0 112.129 172.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 76.1 mt -71.4 130.72 35.08 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.293 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 5.0 p -70.29 110.68 5.39 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-O 121.736 0.779 . . . . 0.0 110.635 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1574 ' ' VAL . . . . . . . . . . . . . 7.8 p -107.66 17.59 6.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.106 0 CA-C-O 122.373 1.083 . . . . 0.0 109.599 -176.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 168.35 138.27 2.43 Favored Glycine 0 N--CA 1.428 -1.864 0 CA-C-N 114.858 -1.065 . . . . 0.0 112.892 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 27.9 tptp -85.55 140.82 30.32 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -59.01 129.79 43.87 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 123.869 0.73 . . . . 0.0 110.146 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 36.4 t30 -152.02 147.84 27.0 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -174.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 61.1 mttp -126.86 22.09 6.83 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.204 0.526 . . . . 0.0 109.788 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -75.04 97.32 3.38 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 1.4 tt -84.88 119.6 25.52 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -105.22 124.29 49.28 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1583 ' ' TYR . . . . . 0.477 ' CE1' ' HA ' ' A' 1586 ' ' GLN . 58.7 t80 -94.5 105.86 17.83 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 175.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 4.4 p -131.42 113.33 23.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-O 121.482 0.658 . . . . 0.0 112.082 -175.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 35.8 t70 57.3 47.0 17.55 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.626 1.17 . . . . 0.0 110.378 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1586 ' ' GLN . . . . . 0.477 ' HA ' ' CE1' ' A' 1583 ' ' TYR . 50.2 mt-30 69.05 -1.23 2.16 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 114.341 -1.3 . . . . 0.0 113.803 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 47.8 t -107.26 141.24 22.97 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 -178.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.485 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 85.0 mt -90.48 142.59 27.59 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -134.25 128.38 33.75 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.108 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 58.3 mt -116.97 127.33 54.09 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 171.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 9.7 p -124.24 133.77 68.43 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.206 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.594 -176.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -111.43 94.87 5.19 Favored 'General case' 0 N--CA 1.425 -1.724 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 97.2 mttt -95.27 -167.84 1.69 Allowed 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 61.34 38.91 15.93 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -87.51 -163.03 38.55 Favored Glycine 0 N--CA 1.434 -1.451 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.757 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 8.0 t -63.1 145.01 97.14 Favored Pre-proline 0 CA--C 1.562 1.436 0 C-N-CA 124.147 0.979 . . . . 0.0 110.317 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -70.67 127.54 14.0 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.931 2.421 . . . . 0.0 112.229 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 57.6 m -82.56 125.51 75.88 Favored Pre-proline 0 C--N 1.306 -1.289 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.85 -177.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -81.26 3.07 8.1 Favored 'Trans proline' 0 CA--C 1.546 1.089 0 C-N-CA 122.826 2.351 . . . . 0.0 111.177 173.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 35.7 t -73.09 -58.3 3.41 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.681 -178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -151.88 -175.86 5.4 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -177.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 61.4 m -71.64 167.47 19.74 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 73.1 44.48 35.63 Favored Glycine 0 CA--C 1.5 -0.853 0 N-CA-C 107.208 -2.357 . . . . 0.0 107.208 -171.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.61 88.41 4.53 Favored 'General case' 0 N--CA 1.424 -1.769 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -171.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 57.6 m -159.52 121.77 3.43 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.507 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.563 ' CD2' ' HB3' ' A' 1634 ' ' CYS . 47.0 m-85 -68.19 132.96 48.09 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 170.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1607 ' ' LYS . . . . . 0.554 ' O ' ' HA ' ' A' 1635 ' ' THR . 8.8 ptmm? -146.61 129.62 16.41 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.449 -176.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 23.1 m -108.61 132.31 54.0 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.079 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 80.9 t -114.22 116.9 53.96 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 51.5 mt -104.31 115.99 47.26 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 23.0 t -101.88 115.34 30.33 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.485 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 92.1 m-85 -93.93 107.01 18.96 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -178.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 50.3 t -94.28 143.08 12.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.689 -175.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1614 ' ' CYS . . . . . 0.428 ' SG ' ' HD3' ' A' 1616 ' ' PRO . 5.8 t -58.12 116.94 3.86 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 124.578 1.151 . . . . 0.0 112.125 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -140.29 78.97 22.05 Favored Pre-proline 0 C--N 1.314 -0.945 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 176.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1616 ' ' PRO . . . . . 0.428 ' HD3' ' SG ' ' A' 1614 ' ' CYS . 29.5 Cg_exo -63.09 -35.96 61.64 Favored 'Trans proline' 0 N--CA 1.475 0.44 0 C-N-CA 123.188 2.592 . . . . 0.0 113.158 -176.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.03 41.54 1.18 Allowed 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 121.632 0.729 . . . . 0.0 110.427 -179.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -58.38 167.64 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -173.9 -117.3 0.46 Allowed Glycine 0 N--CA 1.433 -1.509 0 N-CA-C 108.321 -1.911 . . . . 0.0 108.321 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -68.18 -0.65 5.92 Favored 'Trans proline' 0 N--CA 1.487 1.137 0 C-N-CA 123.144 2.563 . . . . 0.0 111.787 176.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1621 ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' 1641 ' ' HIS . 13.6 p -81.12 -6.77 59.2 Favored 'General case' 0 N--CA 1.432 -1.366 0 C-N-CA 124.583 1.153 . . . . 0.0 111.745 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -85.68 53.78 2.89 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 122.144 0.974 . . . . 0.0 109.558 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -135.2 146.3 57.63 Favored Pre-proline 0 C--N 1.314 -0.942 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -76.29 122.72 6.74 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.456 2.104 . . . . 0.0 112.77 -177.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 92.8 mtp -104.05 135.04 46.3 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 177.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.6 tt -88.2 117.48 27.13 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 51.1 mm -93.73 -54.67 6.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.381 -176.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.3 m -137.34 132.21 33.27 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.33 95.69 5.84 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 178.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 13.6 t70 -91.41 107.18 19.02 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.018 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 67.4 mttm -84.55 1.03 47.74 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.473 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -91.34 -45.54 8.53 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.751 -174.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 28.0 p -113.83 10.28 17.74 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.5 0.666 . . . . 0.0 110.522 177.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1634 ' ' CYS . . . . . 0.563 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 61.6 m 57.61 48.08 14.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.454 -1.248 . . . . 0.0 112.246 175.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1635 ' ' THR . . . . . 0.554 ' HA ' ' O ' ' A' 1607 ' ' LYS . 74.4 m -114.55 123.33 49.1 Favored 'General case' 0 N--CA 1.423 -1.825 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.1 mp -106.0 125.41 50.96 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -99.36 115.38 29.07 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.27 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -111.85 134.73 53.22 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 177.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 30.7 t -109.26 128.12 54.82 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -118.03 135.5 54.14 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1641 ' ' HIS . . . . . 0.426 ' HB2' ' O ' ' A' 1621 ' ' THR . 44.4 m170 -105.34 110.01 22.21 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 6.6 t -140.36 143.94 35.16 Favored Pre-proline 0 CA--C 1.545 0.759 0 CA-C-O 121.304 0.573 . . . . 0.0 111.051 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -75.0 -10.04 21.04 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 123.414 2.743 . . . . 0.0 111.319 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 95.2 mt -80.31 -14.05 58.69 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.471 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -101.92 16.31 26.36 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.416 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 15.0 t -132.45 153.42 50.89 Favored 'General case' 0 N--CA 1.422 -1.872 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.554 -176.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -124.14 75.01 1.34 Allowed 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 122.116 0.96 . . . . 0.0 109.13 175.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 54.0 tp -124.63 102.37 7.57 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.205 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.958 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.078 -178.856 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 88.0 mtp . . . . . 0 CA--C 1.495 -1.168 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -77.55 99.55 5.76 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 29.5 m -78.37 -1.92 35.72 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.921 -175.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -106.58 4.66 28.28 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.625 0.726 . . . . 0.0 109.714 175.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -107.55 4.52 26.12 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 176.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -146.71 132.24 18.73 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 114.475 -1.239 . . . . 0.0 108.51 -175.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1514 ' ' ASP . . . . . 0.44 ' O ' ' HG3' ' A' 1579 ' ' LYS . 32.3 t70 49.12 62.54 2.55 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 124.568 1.167 . . . . 0.0 110.11 177.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -126.4 54.01 1.6 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 121.616 0.722 . . . . 0.0 111.808 -172.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1516 ' ' CYS . . . . . 0.431 ' HA ' ' HB2' ' A' 1581 ' ' LEU . 79.5 m 60.41 42.22 14.92 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 175.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -139.89 129.54 24.43 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 174.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 60.8 t -120.41 128.1 75.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1519 ' ' THR . . . . . 0.447 ' O ' ' HD3' ' A' 1521 ' ' PRO . 7.4 m -102.36 121.37 42.17 Favored 'General case' 0 C--N 1.282 -2.328 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 177.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 44.7 t30 -97.22 104.98 21.7 Favored Pre-proline 0 C--N 1.31 -1.144 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 175.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1521 ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' A' 1519 ' ' THR . 34.8 Cg_exo -61.69 -16.72 50.37 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.689 2.926 . . . . 0.0 114.017 -175.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 15.5 m -67.49 -44.13 79.27 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.714 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 18.7 p -112.28 -5.82 14.13 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.314 0.578 . . . . 0.0 112.12 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 71.21 22.91 78.54 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.895 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 31.5 m170 -94.87 131.24 40.98 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 120.96 0.409 . . . . 0.0 111.871 -176.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 58.5 tp -97.42 108.87 21.68 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -92.95 112.93 25.06 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -126.49 160.24 31.13 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 92.9 mt -120.34 28.57 7.95 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 10.6 m -61.51 -38.99 89.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.766 0.317 . . . . 0.0 111.509 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 14.6 m -61.81 -22.59 65.6 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 122.966 0.507 . . . . 0.0 112.257 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 4.4 pp -120.28 16.51 12.28 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.34 0.591 . . . . 0.0 111.823 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 30.8 t -90.08 120.35 31.19 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -140.53 127.27 3.41 Favored Glycine 0 N--CA 1.421 -2.356 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1535 ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' 1556 ' ' ASN . 10.2 ptp180 -83.2 -17.9 41.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.133 0.492 . . . . 0.0 111.479 -178.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -72.66 -33.14 66.36 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 175.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 88.45 -165.87 34.24 Favored Glycine 0 N--CA 1.411 -3.002 0 CA-C-N 113.926 -1.488 . . . . 0.0 112.732 174.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -133.1 135.25 45.15 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1539 ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' 1548 ' ' VAL . 18.0 m -105.79 107.61 18.69 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -83.47 129.76 34.99 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -75.98 111.95 11.89 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.578 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 57.6 t80 -111.08 102.99 11.4 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . 61.79 23.64 13.93 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 124.864 1.266 . . . . 0.0 112.681 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1544 ' ' LYS . . . . . 0.51 ' NZ ' ' HB2' ' A' 1544 ' ' LYS . 0.1 OUTLIER 51.9 57.18 6.78 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.418 1.087 . . . . 0.0 109.909 -175.168 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -169.35 -44.71 0.03 OUTLIER Glycine 0 CA--C 1.488 -1.627 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.394 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 99.1 m95 -100.01 122.26 42.63 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.637 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -107.49 102.9 1.87 Allowed Glycine 0 N--CA 1.416 -2.665 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1548 ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' 1539 ' ' THR . 7.7 p -83.13 113.63 22.6 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.314 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -91.95 104.7 17.08 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 17.0 ptm -119.46 119.86 35.14 Favored 'General case' 0 C--N 1.279 -2.458 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.339 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 48.4 t -88.8 147.26 24.52 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.84 98.97 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.696 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 22.8 t 68.07 59.36 0.44 Allowed 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.934 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 169.29 173.71 37.13 Favored Glycine 0 N--CA 1.432 -1.597 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -81.29 135.99 35.75 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 178.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' 1535 ' ' ARG . 21.2 t-20 -78.85 129.49 34.63 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 120.689 0.281 . . . . 0.0 110.966 -175.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -65.81 -15.66 63.09 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 7.2 t30 -93.32 -11.48 32.31 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 122.048 0.927 . . . . 0.0 108.712 177.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 70.8 m -103.64 155.87 36.32 Favored Pre-proline 0 C--N 1.299 -1.602 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.132 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -61.09 125.73 17.76 Favored 'Trans proline' 0 C--O 1.248 1.009 0 C-N-CA 122.475 2.116 . . . . 0.0 109.778 173.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -39.22 114.17 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 124.954 3.769 . . . . 0.0 113.395 -177.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 127.83 -27.91 4.52 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 -177.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 61.9 t -88.64 141.01 14.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -105.21 -25.84 6.54 Favored Glycine 0 N--CA 1.441 -0.978 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.594 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -144.95 134.04 22.68 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 120.803 0.335 . . . . 0.0 110.735 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 79.7 m -129.21 133.89 47.75 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.85 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 50.0 t80 -95.5 114.08 25.81 Favored 'General case' 0 N--CA 1.42 -1.939 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 82.9 169.61 44.71 Favored Glycine 0 N--CA 1.44 -1.099 0 CA-C-N 115.72 -0.673 . . . . 0.0 113.537 175.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -70.57 -15.52 62.77 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.598 0.713 . . . . 0.0 109.307 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 14.4 m -65.66 -16.14 63.46 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 114.616 -1.175 . . . . 0.0 109.785 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 62.6 36.73 13.51 Favored 'General case' 0 CA--C 1.505 -0.77 0 C-N-CA 125.378 1.471 . . . . 0.0 112.155 176.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.76 114.0 5.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 11.1 p -64.52 117.77 7.83 Favored 'General case' 0 N--CA 1.428 -1.533 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.525 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1574 ' ' VAL . . . . . . . . . . . . . 11.2 p -120.32 36.37 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 CA-C-O 123.371 1.558 . . . . 0.0 108.536 -179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1575 ' ' GLY . . . . . 0.43 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 148.44 132.43 2.16 Favored Glycine 0 N--CA 1.416 -2.65 0 CA-C-N 114.054 -1.43 . . . . 0.0 113.366 177.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 48.0 tptt -75.29 157.57 34.17 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 174.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -67.38 79.27 0.16 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.44 0.638 . . . . 0.0 111.649 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.5 148.6 23.33 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.222 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1579 ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' 1514 ' ' ASP . 17.7 pttp -146.01 33.35 1.01 Allowed 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 122.39 1.09 . . . . 0.0 109.907 -178.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -94.86 94.67 8.19 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 114.006 -1.452 . . . . 0.0 109.235 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.463 HD13 ' HB3' ' A' 1588 ' ' LEU . 33.0 tp -81.57 130.0 34.89 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.351 -175.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1582 ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' 1588 ' ' LEU . 97.3 mtt180 -112.36 141.17 46.41 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 68.9 t80 -111.85 99.86 8.46 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 174.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 12.9 m -131.67 119.19 41.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.679 -174.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 19.7 m-20 61.37 39.4 15.32 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.576 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 58.84 37.61 24.8 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.693 -1.139 . . . . 0.0 111.445 -176.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 63.2 t -135.3 134.29 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 175.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.474 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 93.2 mt -89.51 132.47 35.04 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 175.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -124.9 130.65 52.79 Favored 'General case' 0 C--N 1.283 -2.319 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.468 -175.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 61.4 mt -119.64 123.2 43.27 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 172.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 65.9 t -112.05 114.11 46.11 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1592 ' ' TYR . . . . . 0.43 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 76.8 m-85 -94.04 89.54 6.08 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.087 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 25.5 pttm -99.89 169.39 9.25 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.536 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 38.0 t70 68.44 92.89 0.08 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.925 1.29 . . . . 0.0 112.489 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -135.57 -129.38 2.85 Favored Glycine 0 N--CA 1.422 -2.259 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 28.8 m -83.02 143.67 46.22 Favored Pre-proline 0 C--N 1.287 -2.123 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.8 143.01 44.69 Favored 'Trans proline' 0 C--O 1.241 0.658 0 C-N-CA 122.522 2.148 . . . . 0.0 111.222 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 59.1 m -80.53 119.45 76.33 Favored Pre-proline 0 C--N 1.309 -1.185 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.172 -178.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -65.7 -27.57 52.51 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.439 2.093 . . . . 0.0 112.085 -177.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 42.3 m -83.14 -12.91 56.55 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 26.2 tptp -150.54 98.67 2.67 Favored 'General case' 0 C--O 1.248 0.988 0 C-N-CA 119.939 -0.705 . . . . 0.0 109.912 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 5.4 p -63.29 121.77 14.53 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.489 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 116.21 -16.2 15.27 Favored Glycine 0 N--CA 1.436 -1.354 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.045 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 59.6 mt -105.82 165.18 11.37 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.189 0.519 . . . . 0.0 111.274 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 11.3 t -144.88 147.41 32.75 Favored 'General case' 0 N--CA 1.416 -2.138 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1606 ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -66.25 120.32 13.04 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 123.933 0.77 . . . . 0.0 110.036 178.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -135.02 158.65 43.81 Favored 'General case' 0 C--O 1.25 1.103 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.551 -176.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 33.7 t -125.4 135.34 52.29 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.84 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 86.6 t -115.59 116.02 51.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 54.2 mt -104.57 118.49 51.94 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 10.9 t -105.29 108.91 20.67 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.474 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 84.3 m-85 -89.52 99.93 12.83 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 123.274 0.63 . . . . 0.0 109.339 -179.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1613 ' ' VAL . . . . . 0.497 ' HB ' ' CD2' ' A' 1641 ' ' HIS . 47.1 t -92.86 135.69 27.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.196 -177.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1614 ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' A' 1642 ' ' THR . 24.3 m -66.34 115.29 6.12 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 123.722 0.809 . . . . 0.0 110.16 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -148.76 117.59 3.97 Favored Pre-proline 0 C--N 1.309 -1.185 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -69.0 -16.11 40.49 Favored 'Trans proline' 0 N--CA 1.485 1.006 0 C-N-CA 123.323 2.682 . . . . 0.0 113.088 177.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -75.21 41.36 0.17 Allowed 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.091 0.956 . . . . 0.0 110.977 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -87.42 -170.04 2.86 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 123.369 0.668 . . . . 0.0 111.842 -174.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 117.28 -103.18 1.07 Allowed Glycine 0 N--CA 1.437 -1.287 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -85.04 8.41 4.64 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 122.914 2.409 . . . . 0.0 110.503 174.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 5.2 m -99.46 5.88 46.09 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.069 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -86.65 51.96 2.38 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.918 0.866 . . . . 0.0 109.428 -175.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -121.89 137.58 27.49 Favored Pre-proline 0 C--N 1.299 -1.596 0 CA-C-N 114.755 -1.112 . . . . 0.0 108.37 -176.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -73.59 122.05 7.55 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 121.413 1.409 . . . . 0.0 109.701 175.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 14.1 tpt -111.66 131.66 55.13 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.9 tt -78.11 117.34 19.31 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 -178.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.9 mm -96.8 -47.36 12.76 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.317 -175.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 21.1 m -137.91 126.81 24.01 Favored 'General case' 0 C--N 1.31 -1.151 0 O-C-N 122.105 -0.372 . . . . 0.0 110.076 -178.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.25 109.59 21.47 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.7 t70 -117.71 107.86 14.7 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.154 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -84.29 -17.64 38.97 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -67.99 -50.59 54.74 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.97 0.414 . . . . 0.0 110.957 -176.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 42.3 p -99.5 4.36 45.97 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.424 0.631 . . . . 0.0 110.51 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 55.9 m 57.4 43.86 22.5 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.112 1.365 . . . . 0.0 111.481 176.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 28.3 m -120.37 116.15 24.93 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-O 121.062 0.458 . . . . 0.0 110.151 -176.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.8 mp -97.69 118.86 35.17 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -94.56 119.84 33.86 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.797 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -119.41 142.38 48.26 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 29.0 t -117.43 142.3 47.3 Favored 'General case' 0 N--CA 1.408 -2.533 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1640 ' ' TRP . . . . . 0.457 ' O ' ' HA ' ' A' 1612 ' ' PHE . 4.8 t-105 -125.86 135.88 52.45 Favored 'General case' 0 N--CA 1.415 -2.18 0 N-CA-C 105.315 -2.105 . . . . 0.0 105.315 176.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1641 ' ' HIS . . . . . 0.497 ' CD2' ' HB ' ' A' 1613 ' ' VAL . 68.7 m80 -109.26 109.06 19.88 Favored 'General case' 0 C--N 1.279 -2.496 0 CA-C-O 121.236 0.541 . . . . 0.0 111.097 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1642 ' ' THR . . . . . 0.455 ' O ' ' HA ' ' A' 1614 ' ' CYS . 8.8 t -130.59 143.87 51.05 Favored Pre-proline 0 N--CA 1.426 -1.659 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.593 -175.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -83.87 0.78 9.18 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.713 2.275 . . . . 0.0 111.117 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.6 mt -91.97 -5.66 52.65 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.365 -178.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -79.57 -17.43 53.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.355 0.598 . . . . 0.0 111.536 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 60.4 m -130.98 156.99 44.17 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -76.59 75.37 3.29 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 122.155 0.979 . . . . 0.0 110.424 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 50.9 tp -85.54 127.37 34.42 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.427 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.558 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 177.543 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 CA--C 1.516 -0.362 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 61.6 mttp -116.86 142.81 46.45 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 57.1 m 58.77 52.65 6.47 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 124.475 1.109 . . . . 0.0 109.785 -176.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -67.87 -50.52 55.94 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.556 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -83.24 96.56 8.49 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 177.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1513 ' ' HIS . . . . . 0.483 ' O ' ' HE3' ' A' 1579 ' ' LYS . 78.6 m80 -77.18 102.45 6.62 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.812 -178.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 26.5 t70 -136.6 72.25 1.43 Allowed 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 122.196 0.998 . . . . 0.0 108.656 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 4.3 p30 -100.89 -50.79 3.73 Favored 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.419 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 7.4 t 56.76 46.11 20.56 Favored 'General case' 0 C--O 1.257 1.448 0 CA-C-O 122.32 1.057 . . . . 0.0 108.617 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1517 ' ' GLN . . . . . 0.418 ' HB3' HD13 ' A' 1526 ' ' LEU . 73.6 mt-30 -136.78 143.38 43.19 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 114.24 -1.345 . . . . 0.0 109.737 -176.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 59.1 t -128.93 117.76 45.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.925 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 23.9 m -94.71 112.47 24.21 Favored 'General case' 0 N--CA 1.425 -1.722 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 174.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -95.69 118.61 65.94 Favored Pre-proline 0 C--N 1.295 -1.777 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -66.97 -18.22 51.92 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.158 2.572 . . . . 0.0 114.352 -174.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 19.6 m -78.56 -44.74 23.44 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.196 0.522 . . . . 0.0 110.476 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 25.1 p -83.24 -39.49 20.84 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-O 121.876 0.846 . . . . 0.0 110.312 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 87.91 10.11 69.98 Favored Glycine 0 N--CA 1.432 -1.608 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.505 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -106.65 140.21 39.87 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-O 121.181 0.515 . . . . 0.0 110.67 -174.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1526 ' ' LEU . . . . . 0.418 HD13 ' HB3' ' A' 1517 ' ' GLN . 51.8 tp -89.33 110.94 21.67 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 114.699 -1.137 . . . . 0.0 108.497 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -88.56 129.17 35.54 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.4 t70 -128.78 132.5 47.88 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 123.592 0.558 . . . . 0.0 112.094 -173.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 82.2 mt -121.1 21.51 11.24 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.723 177.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 63.8 p -64.4 -32.26 73.81 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 17.2 m -70.23 -15.4 62.91 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.119 0.485 . . . . 0.0 110.966 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 94.2 mt -101.2 -19.43 15.72 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.529 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1533 ' ' SER . . . . . 0.53 ' HA ' ' O ' ' A' 1552 ' ' ILE . 23.3 t -66.95 143.12 57.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.124 -178.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1534 ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' 1551 ' ' SER . . . -169.5 146.79 10.39 Favored Glycine 0 N--CA 1.435 -1.392 0 N-CA-C 110.064 -1.215 . . . . 0.0 110.064 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -84.69 -33.63 23.14 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -77.0 -34.71 57.49 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.632 0.729 . . . . 0.0 110.143 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 76.11 -146.95 34.07 Favored Glycine 0 N--CA 1.436 -1.361 0 CA-C-N 114.64 -1.164 . . . . 0.0 113.897 173.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -132.87 136.01 45.95 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 90.3 m -110.02 118.75 37.26 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -118.87 118.68 32.2 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -94.16 115.9 28.24 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.444 -178.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1542 ' ' TYR . . . . . 0.414 ' HB2' ' HB2' ' A' 1546 ' ' TRP . 47.5 m-85 -97.72 107.89 20.49 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.562 176.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . 59.71 27.72 17.03 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.328 1.451 . . . . 0.0 113.47 176.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 50.71 75.03 0.2 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.306 1.043 . . . . 0.0 111.031 -178.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 168.09 -44.21 0.23 Allowed Glycine 0 C--N 1.299 -1.521 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -176.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1546 ' ' TRP . . . . . 0.414 ' HB2' ' HB2' ' A' 1542 ' ' TYR . 94.0 m95 -100.09 72.56 1.67 Allowed 'General case' 0 N--CA 1.429 -1.501 0 CA-C-O 121.635 0.731 . . . . 0.0 109.678 176.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -84.86 115.58 4.13 Favored Glycine 0 N--CA 1.427 -1.91 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 177.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 11.8 p -95.5 122.0 46.58 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 CA-C-O 121.452 0.644 . . . . 0.0 109.515 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -104.61 104.38 14.19 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.6 ptm -134.35 133.29 40.48 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 121.105 0.479 . . . . 0.0 112.092 -172.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1551 ' ' SER . . . . . 0.45 ' HB3' ' O ' ' A' 1534 ' ' GLY . 72.9 m -111.52 154.85 24.16 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 176.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1552 ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' A' 1533 ' ' SER . 50.0 mm -100.07 114.78 39.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.138 -176.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1553 ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' 1579 ' ' LYS . 25.9 t 66.28 61.46 0.59 Allowed 'General case' 0 C--O 1.251 1.158 0 O-C-N 124.257 0.973 . . . . 0.0 110.958 171.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 159.85 -161.32 32.26 Favored Glycine 0 N--CA 1.434 -1.487 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.689 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.68 150.33 22.86 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 122.517 0.327 . . . . 0.0 110.695 178.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.435 ' HB2' HD21 ' A' 1558 ' ' ASN . 9.3 p30 -103.26 147.43 27.06 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.49 -177.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -91.12 4.64 51.67 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.194 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1558 ' ' ASN . . . . . 0.435 HD21 ' HB2' ' A' 1556 ' ' ASN . 25.2 m-80 -85.04 -7.87 58.94 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 122.072 0.939 . . . . 0.0 108.533 -178.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 78.3 m -145.22 174.82 3.13 Favored Pre-proline 0 C--N 1.293 -1.89 0 N-CA-C 104.706 -2.331 . . . . 0.0 104.706 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -59.9 125.93 19.02 Favored 'Trans proline' 0 C--O 1.251 1.163 0 C-N-CA 121.288 1.326 . . . . 0.0 110.951 174.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -51.96 115.61 2.25 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 123.159 2.573 . . . . 0.0 111.033 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 148.83 -33.25 1.17 Allowed Glycine 0 C--N 1.295 -1.742 0 N-CA-C 107.126 -2.39 . . . . 0.0 107.126 -176.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 44.0 t -84.89 137.09 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 173.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -89.24 -40.74 6.02 Favored Glycine 0 N--CA 1.44 -1.077 0 N-CA-C 111.71 -0.556 . . . . 0.0 111.71 -177.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -150.14 143.83 25.3 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.732 0.301 . . . . 0.0 110.314 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 83.3 m -122.19 133.66 54.72 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 68.9 t80 -114.63 127.2 55.65 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -178.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 103.81 153.92 23.54 Favored Glycine 0 N--CA 1.429 -1.821 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.739 175.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -60.57 -26.55 67.01 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 123.544 0.738 . . . . 0.0 111.474 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.6 m -85.46 -2.16 57.83 Favored 'General case' 0 CA--C 1.56 1.365 0 CA-C-O 121.815 0.817 . . . . 0.0 111.11 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 63.81 57.92 1.31 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.229 1.411 . . . . 0.0 112.393 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 68.4 mt -74.23 121.07 24.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 33.1 p -64.74 118.49 9.02 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-O 121.182 0.515 . . . . 0.0 110.86 -178.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1574 ' ' VAL . . . . . . . . . . . . . 13.3 p -113.64 29.33 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.253 0 CA-C-O 122.785 1.279 . . . . 0.0 109.657 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 144.94 150.84 5.3 Favored Glycine 0 N--CA 1.419 -2.484 0 CA-C-N 114.771 -1.104 . . . . 0.0 113.58 173.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -83.89 159.56 21.3 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 124.273 1.029 . . . . 0.0 108.758 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -61.32 89.63 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 124.106 0.962 . . . . 0.0 111.854 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.46 131.83 53.18 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1579 ' ' LYS . . . . . 0.483 ' HE3' ' O ' ' A' 1513 ' ' HIS . 52.9 pttt -132.2 32.96 3.92 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-O 122.496 1.141 . . . . 0.0 110.628 176.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -90.46 92.71 8.99 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 173.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 1.5 tt -74.74 127.44 33.14 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 114.533 -1.212 . . . . 0.0 108.183 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -108.15 140.78 40.87 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.473 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 62.6 t80 -117.47 99.74 7.19 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 173.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 16.5 m -133.24 130.75 57.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.631 -175.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 22.2 m-20 56.84 36.32 27.55 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.644 0.778 . . . . 0.0 111.474 -177.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 62.39 29.09 17.16 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-N 114.732 -1.122 . . . . 0.0 112.084 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 79.6 t -127.05 139.65 51.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 177.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.464 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 95.9 mt -90.5 130.55 36.54 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 175.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -126.62 135.4 51.16 Favored 'General case' 0 C--N 1.288 -2.078 0 CA-C-O 120.963 0.411 . . . . 0.0 111.423 -175.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 82.5 mt -121.15 123.59 42.65 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 171.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 5.7 p -124.0 118.65 54.59 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.935 0 CA-C-O 121.2 0.524 . . . . 0.0 110.938 -177.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1592 ' ' TYR . . . . . 0.419 ' HB2' ' OG ' ' A' 1608 ' ' SER . 81.4 m-85 -96.64 107.73 20.22 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 176.37 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.47 170.85 8.01 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.66 -177.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 38.7 t70 70.21 45.9 0.64 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.739 1.216 . . . . 0.0 110.985 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -87.77 -138.3 5.83 Favored Glycine 0 N--CA 1.434 -1.441 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 70.5 m -69.58 133.15 88.93 Favored Pre-proline 0 C--N 1.304 -1.403 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -64.15 140.15 70.09 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.845 2.363 . . . . 0.0 111.375 178.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 60.9 m -82.37 112.72 38.72 Favored Pre-proline 0 C--N 1.303 -1.448 0 C-N-CA 122.965 0.506 . . . . 0.0 111.005 -178.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -63.94 -26.97 66.57 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.914 2.409 . . . . 0.0 112.374 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 7.9 m -85.4 -16.85 38.44 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.225 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 23.3 tptm -142.0 92.64 2.46 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 35.9 m -62.48 124.4 20.85 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.338 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 118.88 -23.41 8.78 Favored Glycine 0 N--CA 1.436 -1.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.826 -178.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 70.5 mt -109.48 155.1 21.74 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.393 0.616 . . . . 0.0 112.096 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 37.5 m -129.59 149.9 51.15 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 175.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.431 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 98.1 m-85 -66.12 126.41 28.56 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 123.276 0.36 . . . . 0.0 110.957 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -122.5 147.98 45.71 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.426 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1608 ' ' SER . . . . . 0.419 ' OG ' ' HB2' ' A' 1592 ' ' TYR . 5.5 p -111.69 120.02 40.62 Favored 'General case' 0 C--N 1.284 -2.253 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.525 177.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 88.5 t -108.76 113.88 45.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.395 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 61.7 mt -98.85 114.72 37.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 12.1 t -107.15 113.89 27.61 Favored 'General case' 0 N--CA 1.416 -2.147 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.464 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 93.9 m-85 -90.42 99.11 12.19 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1613 ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' 1641 ' ' HIS . 21.6 t -87.04 136.39 23.09 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1614 ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' A' 1642 ' ' THR . 45.3 t -75.78 122.16 23.64 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.397 0.617 . . . . 0.0 112.574 -174.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -131.58 91.71 33.42 Favored Pre-proline 0 C--N 1.301 -1.532 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 173.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -58.21 -22.09 55.12 Favored 'Trans proline' 0 N--CA 1.482 0.831 0 C-N-CA 123.577 2.851 . . . . 0.0 113.303 -177.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -79.17 -17.98 53.93 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.315 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . 61.53 -158.27 0.33 Allowed 'General case' 0 C--N 1.349 0.587 0 O-C-N 124.023 0.827 . . . . 0.0 108.929 -173.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 132.06 -164.97 23.66 Favored Glycine 0 N--CA 1.436 -1.313 0 C-N-CA 120.303 -0.951 . . . . 0.0 111.206 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -82.06 23.41 0.78 Allowed 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 123.164 2.576 . . . . 0.0 112.143 -176.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 1.5 m -114.88 8.81 16.05 Favored 'General case' 0 N--CA 1.423 -1.775 0 CA-C-O 121.964 0.888 . . . . 0.0 109.53 -177.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -90.41 45.74 1.29 Allowed 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 122.836 1.303 . . . . 0.0 107.926 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -144.59 138.11 14.29 Favored Pre-proline 0 C--N 1.288 -2.068 0 CA-C-N 113.942 -1.481 . . . . 0.0 107.406 -171.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.45 ' HD3' ' CZ3' ' A' 1640 ' ' TRP . 46.1 Cg_endo -68.66 123.11 10.11 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 122.376 2.051 . . . . 0.0 112.538 -176.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 51.3 tpp -131.56 133.8 45.42 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.47 116.72 17.42 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 43.9 mm -107.46 -37.21 3.56 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -175.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 17.0 m -137.86 133.34 33.77 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.212 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.73 115.67 26.06 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -178.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.2 t70 -121.43 106.41 11.4 Favored 'General case' 0 C--N 1.31 -1.129 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.624 177.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -73.35 -32.03 64.29 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -65.66 -49.69 67.7 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -176.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 32.2 p -90.35 3.66 53.07 Favored 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 119.753 -0.779 . . . . 0.0 111.249 178.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1634 ' ' CYS . . . . . 0.431 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 63.6 m 56.96 47.56 17.45 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.24 177.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 23.8 m -125.19 126.57 45.43 Favored 'General case' 0 N--CA 1.424 -1.726 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.566 -175.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.38 119.95 40.81 Favored 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 173.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -94.43 115.65 27.88 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.241 -175.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -109.29 129.6 55.51 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 48.0 m -108.52 134.96 50.57 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-O 120.798 0.332 . . . . 0.0 110.159 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1640 ' ' TRP . . . . . 0.45 ' CZ3' ' HD3' ' A' 1624 ' ' PRO . 2.8 t-105 -129.7 134.02 47.4 Favored 'General case' 0 N--CA 1.427 -1.591 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 175.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1641 ' ' HIS . . . . . 0.452 ' HA ' ' O ' ' A' 1613 ' ' VAL . 18.2 m-70 -111.96 113.16 25.31 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1642 ' ' THR . . . . . 0.54 ' O ' ' HA ' ' A' 1614 ' ' CYS . 11.8 t -138.16 147.15 54.79 Favored Pre-proline 0 C--N 1.305 -1.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.831 -175.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.82 -13.64 32.15 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.955 2.436 . . . . 0.0 111.747 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.37 -13.88 62.6 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.638 0.775 . . . . 0.0 112.641 -176.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -81.88 -7.28 59.59 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.384 0.611 . . . . 0.0 110.587 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 88.2 m -119.18 160.16 22.65 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.19 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -84.01 75.49 10.14 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 175.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 35.7 tp -107.76 145.86 32.94 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.814 -177.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.605 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -178.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 25.1 ptt? . . . . . 0 N--CA 1.472 0.639 0 CA-C-O 121.445 0.641 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -128.14 -53.33 1.3 Allowed 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -177.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 24.6 t -150.22 82.01 1.37 Allowed 'General case' 0 N--CA 1.427 -1.607 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 176.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 12.8 m120 -84.45 -20.91 31.0 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.949 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.26 154.7 38.86 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 174.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 42.4 m80 -87.69 66.78 9.02 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.112 0.482 . . . . 0.0 110.435 -177.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -161.73 81.11 0.58 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.982 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -104.56 -59.82 1.68 Allowed 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 174.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 1.8 t 61.1 37.73 17.56 Favored 'General case' 0 C--O 1.25 1.11 0 CA-C-O 121.563 0.697 . . . . 0.0 109.906 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1517 ' ' GLN . . . . . 0.442 ' HA ' ' O ' ' A' 1527 ' ' PHE . 19.2 pt20 -158.57 130.47 6.69 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.943 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 52.4 t -112.93 147.79 16.35 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 32.8 m -136.64 123.29 21.05 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -98.01 105.79 30.27 Favored Pre-proline 0 C--N 1.309 -1.193 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.69 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -65.79 -17.94 57.17 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.933 2.422 . . . . 0.0 113.655 -175.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 13.3 m -74.62 -27.59 60.52 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 120.737 0.303 . . . . 0.0 111.456 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 23.5 p -121.69 -23.34 5.57 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 89.54 13.71 60.96 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.459 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 35.8 m80 -85.94 130.38 34.56 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 120.489 0.185 . . . . 0.0 110.622 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.9 tt -113.56 132.27 55.78 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' A' 1517 ' ' GLN . 83.9 m-85 -123.95 106.54 10.5 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -178.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -121.05 151.65 39.56 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 80.5 mt -117.89 29.29 7.9 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 123.645 0.591 . . . . 0.0 111.185 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1530 ' ' SER . . . . . 0.511 ' HA ' ' OG ' ' A' 1533 ' ' SER . 23.0 t -63.1 -25.79 68.53 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -176.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 42.3 t -72.34 -19.62 61.61 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.469 0.652 . . . . 0.0 110.033 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 82.6 mt -111.48 1.28 16.85 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1533 ' ' SER . . . . . 0.511 ' OG ' ' HA ' ' A' 1530 ' ' SER . 28.2 m -72.39 107.72 5.12 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -154.57 132.45 3.5 Favored Glycine 0 N--CA 1.423 -2.213 0 C-N-CA 120.22 -0.99 . . . . 0.0 111.998 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1535 ' ' ARG . . . . . 0.482 ' O ' ' HA ' ' A' 1556 ' ' ASN . 94.8 mtt180 -77.93 -22.34 49.75 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -82.73 -25.32 32.99 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 176.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1537 ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 58.45 -121.26 25.71 Favored Glycine 0 CA--C 1.5 -0.894 0 CA-C-N 114.465 -1.243 . . . . 0.0 114.723 172.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 68.4 t80 -153.32 149.63 28.07 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 28.1 m -119.61 122.48 41.66 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -120.33 140.95 50.52 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 120.809 0.338 . . . . 0.0 110.523 179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -110.4 121.84 46.27 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -119.29 158.77 25.4 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -77.39 67.34 3.31 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.759 0.79 . . . . 0.0 110.158 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 29.9 tptp -177.75 -44.03 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -144.82 102.97 0.28 Allowed Glycine 0 N--CA 1.427 -1.92 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 29.5 m-90 -86.08 64.75 8.75 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.639 0.733 . . . . 0.0 110.725 -175.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . 147.63 90.44 0.09 OUTLIER Glycine 0 N--CA 1.416 -2.697 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.364 176.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 12.1 p -112.46 120.46 62.71 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 173.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -98.86 104.3 16.33 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1550 ' ' MET . . . . . 0.418 ' O ' ' HA3' ' A' 1537 ' ' GLY . 24.4 ptm -119.91 134.41 55.25 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.671 -173.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 39.2 t -100.8 143.51 30.87 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 175.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 2.2 mp -101.64 109.99 27.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 176.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 49.5 t 64.64 50.16 2.17 Favored 'General case' 0 N--CA 1.446 -0.672 0 O-C-N 124.507 1.13 . . . . 0.0 109.637 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . -179.37 -165.23 33.21 Favored Glycine 0 N--CA 1.431 -1.68 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.724 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -114.89 135.66 53.96 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.482 ' HA ' ' O ' ' A' 1535 ' ' ARG . 18.9 t-20 -80.1 135.29 36.29 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.575 0.702 . . . . 0.0 112.638 -170.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.1 -20.19 57.01 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.391 1.476 . . . . 0.0 113.59 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -97.21 4.54 51.01 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 65.2 m -125.47 155.61 71.63 Favored Pre-proline 0 C--N 1.296 -1.732 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.77 -175.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -52.19 146.43 31.08 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 123.031 2.488 . . . . 0.0 110.894 173.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -54.42 114.78 1.98 Allowed 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 123.64 2.894 . . . . 0.0 112.657 -177.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 113.85 -11.65 22.84 Favored Glycine 0 N--CA 1.427 -1.939 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.827 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 59.0 t -88.52 126.05 41.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 CA-C-N 117.532 0.666 . . . . 0.0 109.49 177.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -88.62 -29.74 17.82 Favored Glycine 0 CA--C 1.506 -0.505 0 C-N-CA 121.188 -0.529 . . . . 0.0 113.469 -174.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -150.36 139.62 21.28 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 120.806 0.336 . . . . 0.0 110.865 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 75.0 m -126.7 133.12 50.99 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.042 177.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 92.0 t80 -106.94 126.26 52.08 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 123.247 0.619 . . . . 0.0 109.941 -177.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 95.28 166.11 35.27 Favored Glycine 0 N--CA 1.433 -1.561 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.446 174.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -67.04 -23.74 65.92 Favored 'General case' 0 C--O 1.247 0.972 0 C-N-CA 123.028 0.531 . . . . 0.0 111.173 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.3 m -87.69 2.25 51.59 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 121.992 0.901 . . . . 0.0 111.307 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.1 53.18 3.71 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.812 176.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 70.7 mt -69.26 117.53 12.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 7.1 p -60.34 110.1 1.16 Allowed 'General case' 0 N--CA 1.436 -1.13 0 CA-C-O 121.511 0.672 . . . . 0.0 110.737 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.406 HG23 ' HB3' ' A' 1606 ' ' TYR . 14.1 p -109.33 17.26 7.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 CA-C-O 122.548 1.166 . . . . 0.0 109.393 -176.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1575 ' ' GLY . . . . . 0.404 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 161.45 139.28 2.61 Favored Glycine 0 N--CA 1.424 -2.1 0 CA-C-N 114.675 -1.148 . . . . 0.0 113.072 176.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 39.6 tptt -85.15 145.67 27.5 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -59.02 105.57 0.33 Allowed 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 124.117 0.967 . . . . 0.0 112.845 -174.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 33.8 t30 -119.34 131.95 55.79 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 94.0 mttt -116.88 5.54 12.98 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.616 -176.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -78.46 96.87 5.5 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.683 0.754 . . . . 0.0 110.306 -177.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 30.0 mt -75.62 146.55 40.25 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.138 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -125.14 136.84 54.01 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 114.482 -1.236 . . . . 0.0 107.724 174.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1583 ' ' TYR . . . . . 0.532 ' CZ ' ' HA ' ' A' 1586 ' ' GLN . 60.9 t80 -111.86 100.36 8.86 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 175.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 9.4 m -126.1 115.79 43.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.1 -173.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 36.3 t70 57.39 48.33 14.93 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 124.795 1.238 . . . . 0.0 111.574 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1586 ' ' GLN . . . . . 0.532 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 43.1 tt0 64.17 30.66 13.62 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.011 178.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 38.2 t -135.52 136.34 50.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.488 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 87.2 mt -92.44 134.95 34.45 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 108.139 -1.059 . . . . 0.0 108.139 174.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -124.72 131.62 53.44 Favored 'General case' 0 C--N 1.29 -2.011 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.494 -177.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 22.2 mt -119.5 123.57 44.32 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 170.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 6.0 p -119.41 116.18 49.99 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 CA-C-O 121.46 0.648 . . . . 0.0 110.629 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1592 ' ' TYR . . . . . 0.404 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 97.4 m-85 -95.24 105.91 17.9 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 176.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 58.8 pttt -110.49 -172.99 2.14 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 12.3 m-20 66.83 29.57 8.34 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 122.958 0.503 . . . . 0.0 112.076 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -78.24 -159.28 12.76 Favored Glycine 0 C--O 1.252 1.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.208 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 50.4 m -64.88 134.91 96.19 Favored Pre-proline 0 C--N 1.309 -1.179 0 C-N-CA 122.424 0.29 . . . . 0.0 110.649 178.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -65.53 129.41 22.42 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.26 1.973 . . . . 0.0 108.994 176.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 55.3 m -61.09 121.91 65.88 Favored Pre-proline 0 C--N 1.311 -1.094 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -177.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -62.17 -21.37 72.41 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.873 2.382 . . . . 0.0 110.864 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 3.3 p -80.62 -36.49 32.57 Favored 'General case' 0 N--CA 1.42 -1.948 0 C-N-CA 124.929 1.292 . . . . 0.0 111.388 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -137.18 94.29 2.93 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.571 -173.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 47.5 m -67.78 100.96 0.99 Allowed 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 121.455 0.645 . . . . 0.0 109.569 176.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 143.69 -24.07 2.14 Favored Glycine 0 N--CA 1.439 -1.145 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 -176.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 93.8 mt -107.97 145.57 33.69 Favored 'General case' 0 N--CA 1.432 -1.33 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 47.9 m -131.0 152.78 49.94 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.41 ' CD2' ' HB3' ' A' 1634 ' ' CYS . 47.4 m-85 -58.84 132.09 52.91 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.723 -0.672 . . . . 0.0 112.009 177.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1607 ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' 1635 ' ' THR . 59.0 mtpt -135.77 136.2 40.55 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.5 -177.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 26.0 m -111.81 122.63 48.32 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 99.2 t -111.14 112.23 39.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 53.7 mt -100.53 113.89 37.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 177.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 20.2 t -102.48 111.56 23.91 Favored 'General case' 0 C--N 1.286 -2.165 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.488 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 95.5 m-85 -88.92 110.4 21.06 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 28.3 m -95.94 141.12 15.84 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.774 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.202 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 34.7 t -63.27 98.83 0.16 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.437 -1.256 . . . . 0.0 111.29 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1615 ' ' ARG . . . . . 0.536 ' HA ' ' NE ' ' A' 1615 ' ' ARG . 1.9 mmp_? -131.13 96.75 21.31 Favored Pre-proline 0 C--N 1.301 -1.519 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.231 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1616 ' ' PRO . . . . . 0.415 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 12.4 Cg_exo -71.44 4.05 3.2 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.519 2.813 . . . . 0.0 113.216 -178.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -59.57 -40.64 88.01 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 123.453 0.701 . . . . 0.0 110.947 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . 45.84 86.55 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.49 1.116 . . . . 0.0 113.789 176.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 177.97 -124.81 0.95 Allowed Glycine 0 C--N 1.296 -1.68 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -70.99 2.75 3.89 Favored 'Trans proline' 0 N--CA 1.484 0.962 0 C-N-CA 123.191 2.594 . . . . 0.0 111.746 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1621 ' ' THR . . . . . 0.512 ' O ' ' HB2' ' A' 1641 ' ' HIS . 17.8 p -83.24 -24.38 32.35 Favored 'General case' 0 N--CA 1.419 -1.993 0 C-N-CA 124.541 1.136 . . . . 0.0 110.243 177.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -77.4 64.95 2.86 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.861 -172.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -155.63 161.95 28.39 Favored Pre-proline 0 C--N 1.296 -1.719 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 176.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' 1639 ' ' SER . 83.4 Cg_endo -90.77 148.1 3.99 Favored 'Trans proline' 0 N--CA 1.436 -1.89 0 C-N-CA 122.117 1.878 . . . . 0.0 112.762 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 24.6 mmt -121.67 143.35 49.39 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 173.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.9 tt -86.3 110.48 19.68 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -178.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.8 mm -92.73 -45.15 14.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 CA-C-O 120.941 0.4 . . . . 0.0 111.524 -173.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 21.3 t -142.02 141.26 32.83 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -177.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.03 95.5 4.72 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -178.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 16.5 t70 -86.64 105.87 17.2 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 55.1 mttp -77.16 -22.12 53.03 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.526 -175.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -77.81 -46.06 22.66 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -174.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 42.6 p -101.97 6.48 41.25 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 120.937 0.399 . . . . 0.0 111.14 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1634 ' ' CYS . . . . . 0.41 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 60.2 m 57.78 43.68 21.51 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.036 176.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1635 ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' 1607 ' ' LYS . 32.2 m -114.2 122.59 47.25 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.469 -176.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.3 mp -101.53 128.28 47.85 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.728 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -102.42 108.0 19.18 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.889 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -105.95 139.25 40.78 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1639 ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' 1624 ' ' PRO . 21.3 t -119.83 118.65 31.35 Favored 'General case' 0 C--N 1.286 -2.192 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -102.21 142.39 33.53 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1641 ' ' HIS . . . . . 0.512 ' HB2' ' O ' ' A' 1621 ' ' THR . 54.6 m80 -109.21 106.16 15.91 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 -174.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 5.9 t -140.18 145.97 44.03 Favored Pre-proline 0 C--N 1.317 -0.845 0 CA-C-O 121.277 0.56 . . . . 0.0 111.11 -175.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1643 ' ' PRO . . . . . 0.415 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 63.6 Cg_endo -75.08 -7.76 19.38 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.14 2.56 . . . . 0.0 111.924 175.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 82.6 mt -81.89 -10.85 59.17 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 120.915 0.388 . . . . 0.0 111.926 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -90.8 -0.34 57.69 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.983 0.897 . . . . 0.0 109.726 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 76.3 m -90.07 159.4 16.85 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 114.761 -1.108 . . . . 0.0 108.976 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -75.22 78.24 2.34 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 48.4 tp -63.82 104.38 0.68 Allowed 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.612 -177.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.285 -2.198 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 177.341 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 22.1 pttp -164.13 149.79 10.75 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 40.2 m 56.71 35.37 26.08 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.207 1.003 . . . . 0.0 113.018 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 8.7 p30 -101.92 -26.04 13.57 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.01 0.434 . . . . 0.0 110.202 177.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -97.81 133.7 41.96 Favored 'General case' 0 N--CA 1.424 -1.74 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.534 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 13.3 p80 179.12 128.45 0.07 Allowed 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 125.276 1.43 . . . . 0.0 108.0 -177.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 38.7 t70 53.65 56.3 7.42 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 122.193 0.997 . . . . 0.0 110.005 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -109.0 54.02 0.67 Allowed 'General case' 0 CA--C 1.493 -1.231 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.866 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 54.7 m 66.12 39.58 4.26 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.234 178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1517 ' ' GLN . . . . . 0.414 ' HA ' ' O ' ' A' 1527 ' ' PHE . 14.3 pt20 -156.33 129.15 7.84 Favored 'General case' 0 N--CA 1.418 -2.068 0 CA-C-N 114.14 -1.391 . . . . 0.0 107.954 176.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 16.2 t -127.16 135.03 64.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -176.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 29.4 m -90.83 116.01 28.33 Favored 'General case' 0 N--CA 1.419 -2.011 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -82.41 111.97 32.64 Favored Pre-proline 0 C--N 1.308 -1.236 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.22 -7.11 20.03 Favored 'Trans proline' 0 C--O 1.24 0.611 0 C-N-CA 122.813 2.342 . . . . 0.0 113.665 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 24.4 t -74.55 -49.24 22.67 Favored 'General case' 0 N--CA 1.433 -1.319 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 38.7 p -108.04 -23.5 11.97 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 92.67 20.68 33.62 Favored Glycine 0 N--CA 1.44 -1.091 0 C-N-CA 121.245 -0.503 . . . . 0.0 111.986 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -101.97 142.95 32.46 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.697 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 51.6 tp -88.98 120.38 30.35 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.414 ' O ' ' HA ' ' A' 1517 ' ' GLN . 79.7 m-85 -99.33 106.88 19.03 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 177.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -130.09 152.29 49.7 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.444 -172.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 95.6 mt -123.82 28.16 6.99 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.913 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.6 m -68.19 -30.08 69.09 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.082 -177.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 30.1 t -70.11 -23.86 63.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.982 0.42 . . . . 0.0 110.338 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 88.7 mt -98.09 1.38 47.57 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.227 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1533 ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' 1552 ' ' ILE . 32.0 t -84.3 142.38 30.25 Favored 'General case' 0 N--CA 1.427 -1.614 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -168.92 140.73 6.32 Favored Glycine 0 N--CA 1.427 -1.92 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.465 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -65.68 -29.9 70.51 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 123.076 0.551 . . . . 0.0 112.346 179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -82.54 -12.65 57.61 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.381 0.61 . . . . 0.0 110.152 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 55.31 -134.17 48.78 Favored Glycine 0 N--CA 1.441 -1.032 0 CA-C-N 114.673 -1.148 . . . . 0.0 112.948 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 84.5 t80 -152.03 136.37 16.75 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 175.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 23.6 m -100.92 108.69 20.51 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -101.42 106.92 18.12 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -93.91 104.06 16.13 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.222 0.534 . . . . 0.0 110.535 -177.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -87.94 117.19 26.63 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . 60.88 23.53 13.58 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 124.28 1.032 . . . . 0.0 110.207 -176.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 69.26 -51.15 0.6 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.951 1.7 . . . . 0.0 112.933 -178.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -60.81 -37.08 93.06 Favored Glycine 0 C--O 1.246 0.905 0 O-C-N 123.373 0.421 . . . . 0.0 113.857 -177.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -93.55 80.61 4.32 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-O 121.708 0.766 . . . . 0.0 110.382 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -78.82 100.1 1.7 Allowed Glycine 0 N--CA 1.434 -1.441 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.812 177.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1548 ' ' VAL . . . . . 0.553 ' HA ' ' O ' ' A' 1566 ' ' CYS . 98.0 t -88.39 107.01 17.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 CA-C-O 121.365 0.603 . . . . 0.0 110.168 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -89.76 104.59 17.14 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 177.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.7 ptp -121.6 142.54 50.01 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.373 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 48.1 t -110.82 132.21 54.39 Favored 'General case' 0 C--N 1.286 -2.181 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 173.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1552 ' ' ILE . . . . . 0.444 ' O ' ' HA ' ' A' 1533 ' ' SER . 50.4 mm -84.53 109.4 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.789 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 177.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 36.3 t 72.54 92.23 0.08 Allowed 'General case' 0 C--O 1.246 0.872 0 O-C-N 124.3 1.0 . . . . 0.0 111.01 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 119.99 -154.23 16.51 Favored Glycine 0 N--CA 1.428 -1.863 0 C-N-CA 120.216 -0.992 . . . . 0.0 112.314 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -111.02 150.69 28.94 Favored 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 122.924 0.489 . . . . 0.0 110.067 -178.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -99.7 131.78 45.47 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -176.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -72.08 -13.81 61.68 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 123.199 0.312 . . . . 0.0 111.406 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 10.7 m120 -87.01 -0.76 57.15 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.961 0.886 . . . . 0.0 109.004 176.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 72.3 m -121.12 163.9 27.09 Favored Pre-proline 0 C--N 1.298 -1.671 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.984 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -56.45 150.94 48.24 Favored 'Trans proline' 0 CA--C 1.55 1.315 0 C-N-CA 122.546 2.164 . . . . 0.0 110.95 174.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -59.97 114.69 2.19 Favored 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 122.994 2.463 . . . . 0.0 111.869 -176.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 110.19 -12.17 31.36 Favored Glycine 0 N--CA 1.432 -1.581 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.344 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 67.2 t -89.81 130.94 38.29 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -102.09 -26.51 7.4 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.807 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -142.43 129.94 21.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.716 0.293 . . . . 0.0 111.064 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1566 ' ' CYS . . . . . 0.553 ' O ' ' HA ' ' A' 1548 ' ' VAL . 76.0 m -121.43 133.81 55.08 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.074 178.212 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 90.2 t80 -109.56 139.13 44.95 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 86.61 164.47 39.83 Favored Glycine 0 N--CA 1.425 -2.077 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.221 176.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -73.85 -19.59 60.69 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.3 m -78.52 -6.78 56.41 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.108 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 65.2 48.38 2.2 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 124.004 0.922 . . . . 0.0 111.404 176.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 74.8 mt -73.96 121.08 24.29 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.184 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 10.1 p -63.76 112.08 2.71 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.334 0.587 . . . . 0.0 112.483 -178.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1574 ' ' VAL . . . . . . . . . . . . . 26.9 m -116.98 18.13 7.26 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-O 121.915 0.865 . . . . 0.0 110.07 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . -173.71 122.69 0.92 Allowed Glycine 0 N--CA 1.422 -2.275 0 CA-C-N 114.924 -1.034 . . . . 0.0 111.749 178.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 25.5 tptp -87.45 141.19 28.82 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -60.91 101.85 0.17 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -174.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -125.31 164.51 20.19 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 20.0 pttp -133.06 26.74 4.24 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.77 0.795 . . . . 0.0 110.278 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -77.29 94.67 4.2 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-N 114.539 -1.209 . . . . 0.0 110.6 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.482 HD21 ' HB3' ' A' 1588 ' ' LEU . 3.1 tt -98.34 129.39 45.01 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 177.167 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -128.46 142.99 50.92 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 40.7 p90 -95.53 105.86 17.88 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 176.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 6.8 p -119.89 109.94 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.303 0 CA-C-O 121.307 0.575 . . . . 0.0 111.289 -177.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 60.78 44.3 11.19 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.109 0.964 . . . . 0.0 110.657 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 65.31 17.34 10.96 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 114.727 -1.124 . . . . 0.0 112.025 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 99.8 t -115.58 128.44 72.81 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.614 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.484 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 75.6 mt -83.34 128.2 34.3 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 177.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -118.65 134.75 54.88 Favored 'General case' 0 C--N 1.286 -2.181 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.049 -175.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 42.8 mt -119.65 131.94 55.57 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 170.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 5.3 p -131.99 123.45 51.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 CA-C-O 121.49 0.662 . . . . 0.0 110.965 -178.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -112.36 105.84 14.22 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 22.5 pttp -108.77 177.16 4.86 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.44 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 36.2 m-20 64.97 52.58 1.53 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.917 1.287 . . . . 0.0 113.225 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -88.11 -123.52 1.98 Allowed Glycine 0 N--CA 1.436 -1.331 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 174.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 24.3 m -80.0 151.41 73.19 Favored Pre-proline 0 C--N 1.293 -1.866 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -75.09 133.62 16.67 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.237 1.958 . . . . 0.0 110.143 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 57.3 m -72.38 123.2 89.19 Favored Pre-proline 0 C--N 1.304 -1.378 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.293 -177.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -66.21 -15.74 49.4 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.543 2.162 . . . . 0.0 112.656 -178.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 2.9 p -77.44 -31.08 53.67 Favored 'General case' 0 N--CA 1.429 -1.52 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.766 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 23.9 tptm -153.91 112.49 3.64 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 57.2 m -64.22 130.03 42.28 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.103 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 113.62 -29.55 7.78 Favored Glycine 0 N--CA 1.432 -1.599 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 82.8 mt -85.41 146.48 26.96 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 9.1 t -134.84 147.18 49.85 Favored 'General case' 0 N--CA 1.412 -2.361 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1606 ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -64.38 135.73 56.43 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.269 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -141.91 143.63 33.39 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.847 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 3.3 p -121.12 135.01 55.26 Favored 'General case' 0 C--N 1.288 -2.067 0 CA-C-O 121.213 0.53 . . . . 0.0 111.693 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 93.3 t -120.95 117.61 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.181 0 CA-C-N 115.496 -0.774 . . . . 0.0 108.951 -178.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 54.9 mt -105.22 115.65 47.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 23.0 t -100.21 104.79 16.32 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 123.643 0.777 . . . . 0.0 109.192 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.484 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 87.8 m-85 -88.25 99.31 12.13 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 21.8 t -91.5 138.26 20.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -177.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1614 ' ' CYS . . . . . 0.64 ' HA ' ' O ' ' A' 1642 ' ' THR . 46.8 t -76.55 133.27 39.76 Favored 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.519 -176.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -150.3 100.08 3.2 Favored Pre-proline 0 N--CA 1.427 -1.591 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 175.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -59.48 -32.97 97.21 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 123.278 2.652 . . . . 0.0 111.467 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -83.45 41.58 0.78 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.929 0.871 . . . . 0.0 110.922 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -72.66 157.37 37.67 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.841 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -162.55 -120.38 0.53 Allowed Glycine 0 C--N 1.284 -2.347 0 N-CA-C 107.329 -2.308 . . . . 0.0 107.329 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.8 1.99 3.96 Favored 'Trans proline' 0 CA--C 1.55 1.303 0 CA-C-N 120.44 2.12 . . . . 0.0 111.86 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -16.51 64.19 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 126.188 1.795 . . . . 0.0 112.761 -178.336 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 9.4 p30 -82.66 62.59 6.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 122.98 1.371 . . . . 0.0 110.613 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -137.88 143.72 41.13 Favored Pre-proline 0 C--N 1.297 -1.716 0 CA-C-N 114.174 -1.375 . . . . 0.0 107.889 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -78.01 122.09 5.64 Favored 'Trans proline' 0 N--CA 1.445 -1.372 0 C-N-CA 121.344 1.363 . . . . 0.0 110.233 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 87.2 mtp -121.4 136.18 54.99 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.2 tt -81.42 111.31 17.65 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 -178.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.2 mm -93.84 -39.36 10.58 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.985 -175.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 74.0 m -148.63 134.41 18.91 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 121.07 0.462 . . . . 0.0 111.51 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 1.5 tm? -106.66 120.03 40.88 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -117.87 103.66 10.18 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -84.04 -10.12 58.11 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -177.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -72.26 -48.09 45.24 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.5 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 24.8 p -99.8 -0.96 38.79 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 121.435 0.635 . . . . 0.0 110.511 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 86.4 m 60.8 42.06 13.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 114.079 -1.419 . . . . 0.0 110.276 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 19.0 m -105.3 122.29 45.65 Favored 'General case' 0 N--CA 1.427 -1.575 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.282 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.2 mp -100.31 116.35 32.08 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 175.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -92.53 107.91 19.57 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.838 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -107.36 143.61 35.42 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 16.3 t -124.99 144.64 50.28 Favored 'General case' 0 N--CA 1.416 -2.137 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 177.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -131.98 141.69 49.36 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 69.3 m80 -110.4 113.95 27.0 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 120.38 -0.528 . . . . 0.0 109.675 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1642 ' ' THR . . . . . 0.64 ' O ' ' HA ' ' A' 1614 ' ' CYS . 10.0 t -139.93 139.68 22.23 Favored Pre-proline 0 C--N 1.31 -1.135 0 CA-C-O 121.159 0.504 . . . . 0.0 110.193 -176.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -74.61 -8.7 20.76 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.729 2.286 . . . . 0.0 111.713 176.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.94 -15.5 62.6 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.015 0.526 . . . . 0.0 111.065 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -76.9 -7.82 56.23 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 122.053 0.93 . . . . 0.0 109.987 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 84.9 m -117.95 161.27 20.06 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 173.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -82.37 74.19 9.36 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 122.265 1.031 . . . . 0.0 110.212 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 58.7 tp -141.03 107.75 5.36 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 113.717 -1.583 . . . . 0.0 108.49 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.698 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 179.844 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 99.2 mttt -80.41 -44.09 19.92 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.291 0.567 . . . . 0.0 109.605 176.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 40.6 t -136.21 128.95 30.86 Favored 'General case' 0 N--CA 1.424 -1.747 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -89.57 -10.36 46.37 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -84.15 126.38 33.05 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 176.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 72.1 m80 -111.41 80.65 1.34 Allowed 'General case' 0 C--N 1.288 -2.086 0 CA-C-O 121.12 0.486 . . . . 0.0 111.232 -176.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -131.43 11.62 4.92 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 173.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1515 ' ' ASP . . . . . 0.563 ' HA ' ' O ' ' A' 1579 ' ' LYS . 9.5 p-10 -80.76 54.61 2.18 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 125.865 1.666 . . . . 0.0 112.108 -175.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 78.2 m 78.37 24.93 0.6 Allowed 'General case' 0 CA--C 1.502 -0.888 0 CA-C-N 114.572 -1.194 . . . . 0.0 112.148 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1517 ' ' GLN . . . . . 0.643 ' HA ' ' O ' ' A' 1527 ' ' PHE . 17.5 pt20 -143.33 128.96 19.2 Favored 'General case' 0 N--CA 1.419 -2.025 0 CA-C-N 113.275 -1.784 . . . . 0.0 107.178 172.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 71.3 t -136.09 124.17 36.04 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 6.9 m -96.14 114.24 25.92 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -90.77 115.38 64.12 Favored Pre-proline 0 C--N 1.304 -1.382 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -72.51 -17.59 26.58 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 122.8 2.334 . . . . 0.0 113.865 -173.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 16.5 m -79.99 -36.47 35.97 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.256 -177.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 17.5 p -104.86 -15.69 15.1 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.127 0.489 . . . . 0.0 112.064 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 73.46 20.13 79.8 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 -177.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -101.2 132.44 46.7 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.657 -173.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 69.3 tp -96.53 121.59 38.51 Favored 'General case' 0 N--CA 1.419 -1.983 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.643 ' O ' ' HA ' ' A' 1517 ' ' GLN . 96.4 m-85 -85.98 106.33 17.08 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.05 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.13 135.06 47.19 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 123.688 0.617 . . . . 0.0 110.026 175.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 74.1 mt -115.79 15.81 16.36 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 167.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 14.2 m -63.27 -30.48 71.62 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 113.942 -1.481 . . . . 0.0 112.052 -176.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 18.4 m -86.81 -1.37 57.72 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.376 0.608 . . . . 0.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 74.9 mt -116.88 7.48 13.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.769 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 23.0 t -91.97 135.46 33.93 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.156 -177.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -159.36 141.72 7.75 Favored Glycine 0 N--CA 1.426 -2.005 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1535 ' ' ARG . . . . . 0.533 ' O ' ' HA ' ' A' 1556 ' ' ASN . 22.9 mtm180 -83.57 -15.19 50.11 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -87.47 -35.23 18.36 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 172.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 71.01 -156.69 53.33 Favored Glycine 0 N--CA 1.429 -1.829 0 CA-C-N 113.901 -1.5 . . . . 0.0 113.408 173.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -117.33 135.76 53.62 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 19.6 m -102.82 107.09 17.82 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -88.61 138.09 31.73 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -86.64 117.36 25.35 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.394 -176.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 89.2 t80 -98.52 100.68 11.95 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 176.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . 67.39 -78.51 0.04 OUTLIER 'General case' 0 C--O 1.246 0.91 0 C-N-CA 124.841 1.256 . . . . 0.0 110.197 -176.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 15.5 tptm 178.98 125.63 0.06 Allowed 'General case' 0 N--CA 1.44 -0.925 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 173.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 109.94 -44.59 1.47 Allowed Glycine 0 C--N 1.301 -1.393 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 23.3 m-90 -86.77 107.34 18.22 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -100.39 126.55 8.96 Favored Glycine 0 N--CA 1.42 -2.375 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 42.0 t -96.7 105.25 16.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.841 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -82.05 107.41 14.73 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 23.8 ptp -112.23 111.35 22.18 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-O 121.204 0.526 . . . . 0.0 110.453 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 39.3 t -89.94 111.92 23.14 Favored 'General case' 0 N--CA 1.425 -1.679 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 175.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 65.6 mt -81.61 112.55 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.739 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.726 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 73.1 m 71.61 24.15 3.61 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.935 1.294 . . . . 0.0 113.951 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . -154.93 -174.32 24.73 Favored Glycine 0 N--CA 1.426 -1.996 0 C-N-CA 119.704 -1.236 . . . . 0.0 112.368 -178.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -101.89 123.83 46.49 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 123.435 0.694 . . . . 0.0 109.991 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.533 ' HA ' ' O ' ' A' 1535 ' ' ARG . 40.1 t30 -66.32 125.15 24.7 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.432 0.634 . . . . 0.0 111.836 -176.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -77.06 -14.53 59.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.371 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 14.4 m120 -91.58 9.74 30.9 Favored 'General case' 0 C--O 1.246 0.919 0 CA-C-O 121.707 0.765 . . . . 0.0 110.922 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 94.9 m -144.39 174.0 3.9 Favored Pre-proline 0 C--N 1.305 -1.355 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -57.65 133.67 58.03 Favored 'Trans proline' 0 C--O 1.249 1.043 0 C-N-CA 121.546 1.497 . . . . 0.0 111.11 173.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.79 104.84 0.24 Allowed 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.851 2.367 . . . . 0.0 111.052 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 149.24 -25.62 1.25 Allowed Glycine 0 C--N 1.298 -1.529 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 -177.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 60.7 t -87.56 133.93 29.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 175.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -101.23 -32.41 5.25 Favored Glycine 0 CA--C 1.501 -0.824 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.873 -177.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -134.43 135.95 42.91 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 30.3 m -124.2 133.57 53.51 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 81.1 t80 -105.47 112.75 25.96 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 90.28 162.67 38.48 Favored Glycine 0 N--CA 1.431 -1.689 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -74.46 -6.7 49.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.537 0.684 . . . . 0.0 110.653 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.46 0.65 28.61 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.014 178.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 64.6 29.21 13.16 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 124.357 1.063 . . . . 0.0 110.72 173.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 64.0 mt -73.41 125.35 32.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.025 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 6.0 p -65.44 122.54 17.42 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -176.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.505 HG23 ' HB3' ' A' 1606 ' ' TYR . 14.3 p -122.43 29.77 2.48 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-O 123.291 1.519 . . . . 0.0 107.683 176.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 152.79 135.19 2.15 Favored Glycine 0 N--CA 1.423 -2.184 0 CA-C-N 113.886 -1.507 . . . . 0.0 112.776 177.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 22.7 tptm -75.89 158.06 32.52 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -70.15 76.45 0.51 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.217 0.532 . . . . 0.0 110.848 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 14.8 m120 -86.74 145.17 26.76 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.688 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1579 ' ' LYS . . . . . 0.563 ' O ' ' HA ' ' A' 1515 ' ' ASP . 27.7 mtpp -128.07 30.06 5.3 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -176.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -90.65 100.7 13.5 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.457 HD11 ' HB3' ' A' 1588 ' ' LEU . 55.7 tp -91.32 127.26 36.68 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 53.3 mtp85 -120.15 138.98 53.28 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.424 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 65.1 t80 -121.79 111.01 16.61 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 15.9 m -139.67 142.26 33.01 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 23.1 t70 42.9 48.75 5.08 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 124.746 1.218 . . . . 0.0 113.054 175.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 57.22 37.09 28.15 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 6.4 p -143.05 134.15 23.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 CA-C-O 121.099 0.476 . . . . 0.0 110.209 174.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.486 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 80.0 mt -92.74 124.88 37.07 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 175.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -114.11 125.26 53.76 Favored 'General case' 0 C--N 1.284 -2.28 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.051 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 46.5 mt -114.63 124.05 50.86 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 173.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 13.4 p -111.61 133.06 58.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -118.41 93.7 4.21 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 176.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 21.9 pttp -106.04 167.69 9.63 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.458 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 30.0 t70 68.76 112.43 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.885 1.274 . . . . 0.0 111.439 -174.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -159.15 -142.92 3.52 Favored Glycine 0 N--CA 1.428 -1.84 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 22.1 t -72.43 138.94 81.02 Favored Pre-proline 0 C--N 1.3 -1.571 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 177.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 157.95 58.56 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.684 2.256 . . . . 0.0 111.895 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1598 ' ' CYS . . . . . 0.484 ' H ' ' HB2' ' A' 1604 ' ' LEU . 62.3 m -119.18 153.4 53.19 Favored Pre-proline 0 C--N 1.298 -1.631 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -177.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -79.6 3.02 7.89 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.739 2.293 . . . . 0.0 111.559 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 10.3 m -70.41 -8.51 51.41 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.02 1.328 . . . . 0.0 112.2 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 46.2 mmtm 71.51 -61.98 0.47 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 125.111 1.364 . . . . 0.0 112.727 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 32.9 m -93.46 128.6 39.62 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 71.58 46.73 38.05 Favored Glycine 0 CA--C 1.499 -0.932 0 C-N-CA 120.436 -0.888 . . . . 0.0 111.009 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1604 ' ' LEU . . . . . 0.484 ' HB2' ' H ' ' A' 1598 ' ' CYS . 0.6 OUTLIER -87.44 86.3 7.22 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-O 122.333 1.063 . . . . 0.0 112.789 -176.814 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 30.9 m -167.41 119.85 0.92 Allowed 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.819 178.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.505 ' HB3' HG23 ' A' 1574 ' ' VAL . 44.9 m-85 -67.18 116.69 8.26 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 171.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -137.17 156.04 48.82 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.745 -175.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 19.6 m -125.07 140.32 53.0 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.629 -176.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 88.9 t -124.33 113.44 36.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 175.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 54.9 mt -102.97 116.41 46.66 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 11.1 t -104.44 107.51 18.48 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.486 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 86.0 m-85 -92.87 99.48 12.13 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 66.4 t -86.02 134.01 28.3 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.329 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.897 -175.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1614 ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' 1645 ' ' ALA . 17.1 t -56.74 119.4 6.11 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.286 0.991 . . . . 0.0 111.103 177.148 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -140.48 94.23 8.5 Favored Pre-proline 0 N--CA 1.428 -1.537 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -69.1 -16.16 40.11 Favored 'Trans proline' 0 N--CA 1.483 0.885 0 C-N-CA 123.12 2.546 . . . . 0.0 112.345 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -110.7 40.82 1.92 Allowed 'General case' 0 C--N 1.306 -1.299 0 CA-C-O 121.563 0.697 . . . . 0.0 109.685 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1618 ' ' ALA . . . . . 0.402 ' HB2' ' OD1' ' A' 1622 ' ' ASN . . . -71.04 169.47 14.88 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.107 -0.951 . . . . 0.0 112.765 -176.474 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1619 ' ' GLY . . . . . 0.423 ' C ' ' H ' ' A' 1621 ' ' THR . . . 172.0 -112.35 0.44 Allowed Glycine 0 C--N 1.301 -1.364 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -176.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -76.78 39.18 0.68 Allowed 'Trans proline' 0 CA--C 1.556 1.597 0 C-N-CA 122.153 1.902 . . . . 0.0 111.556 173.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1621 ' ' THR . . . . . 0.423 ' H ' ' C ' ' A' 1619 ' ' GLY . 23.7 p -121.28 0.86 10.16 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 124.479 1.112 . . . . 0.0 109.606 -178.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1622 ' ' ASN . . . . . 0.402 ' OD1' ' HB2' ' A' 1618 ' ' ALA . 1.8 m-20 -101.2 52.59 0.84 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.083 -170.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -130.41 134.34 25.95 Favored Pre-proline 0 C--N 1.292 -1.931 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -69.06 121.54 8.38 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 121.219 1.279 . . . . 0.0 110.171 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 76.4 mtm -123.28 140.25 53.21 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.898 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.5 tt -84.51 117.34 23.62 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -177.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.0 mm -90.37 -53.55 8.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 CA-C-O 121.021 0.438 . . . . 0.0 110.635 -177.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 37.6 m -137.59 131.84 32.21 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.359 -176.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -105.95 104.45 14.17 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 30.3 t70 -102.36 110.79 22.85 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.339 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1631 ' ' LYS . . . . . 0.446 ' HZ3' ' HB3' ' A' 1631 ' ' LYS . 10.0 mtpm? -85.53 -1.44 57.09 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 177.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -72.75 -53.29 12.02 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 178.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 11.1 p -112.76 14.56 19.95 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.471 0.653 . . . . 0.0 110.601 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 76.3 m 50.93 45.59 27.38 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 114.083 -1.417 . . . . 0.0 111.849 177.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 21.4 m -106.54 120.15 41.18 Favored 'General case' 0 N--CA 1.413 -2.287 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.987 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.4 mp -98.35 118.04 34.11 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 176.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -93.2 112.37 24.29 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.779 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.07 144.51 38.55 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 21.3 t -125.75 146.62 49.69 Favored 'General case' 0 N--CA 1.417 -2.118 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -136.06 144.14 45.05 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 52.6 m80 -112.41 115.13 28.22 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 8.8 t -140.19 142.03 28.54 Favored Pre-proline 0 N--CA 1.432 -1.349 0 CA-C-O 121.097 0.475 . . . . 0.0 110.158 -176.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -75.59 -6.82 18.09 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.944 2.429 . . . . 0.0 110.843 175.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.3 mt -78.68 -8.05 58.31 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.005 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1645 ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' 1614 ' ' CYS . . . -104.79 25.8 9.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.448 0.642 . . . . 0.0 109.854 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 83.7 m -113.93 133.07 55.7 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.357 -176.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -75.92 75.03 2.84 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 122.405 1.098 . . . . 0.0 110.057 175.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 81.9 mt -97.59 135.11 39.88 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.289 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.845 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 178.445 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 CA--C 1.504 -0.809 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -147.47 -75.32 0.19 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 175.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 23.3 m -132.43 88.77 2.57 Favored 'General case' 0 N--CA 1.421 -1.915 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -79.43 -13.27 59.7 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.541 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -77.02 142.18 40.01 Favored 'General case' 0 N--CA 1.422 -1.858 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.815 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -73.61 109.82 7.41 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 114.474 -1.239 . . . . 0.0 110.601 -177.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -70.88 95.77 1.19 Allowed 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 172.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -63.41 -66.56 0.52 Allowed 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 114.027 -1.442 . . . . 0.0 109.391 -174.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1516 ' ' CYS . . . . . 0.693 ' SG ' ' HB2' ' A' 1529 ' ' LEU . 7.9 t 53.42 54.59 9.89 Favored 'General case' 0 C--O 1.25 1.1 0 O-C-N 124.29 0.993 . . . . 0.0 110.616 174.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1517 ' ' GLN . . . . . 0.415 ' HB2' HD12 ' A' 1526 ' ' LEU . 10.2 pt20 -163.28 138.14 6.37 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.268 -176.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 59.8 t -122.88 127.17 74.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 28.7 m -98.26 111.76 23.98 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 176.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 47.4 t30 -83.95 109.39 18.46 Favored Pre-proline 0 C--N 1.311 -1.087 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.36 -14.77 40.96 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.452 2.768 . . . . 0.0 115.2 -169.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 13.7 p -76.19 -41.09 50.69 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-O 121.19 0.519 . . . . 0.0 111.046 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 30.7 p -103.25 -18.5 14.86 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 121.203 0.525 . . . . 0.0 111.69 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 79.84 17.61 74.61 Favored Glycine 0 N--CA 1.442 -0.947 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.405 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 32.7 m170 -97.43 136.29 38.09 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.077 0.465 . . . . 0.0 112.103 -175.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1526 ' ' LEU . . . . . 0.415 HD12 ' HB2' ' A' 1517 ' ' GLN . 52.7 tp -96.53 121.13 38.01 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.785 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -102.07 106.89 17.84 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -124.07 147.91 47.5 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.115 -174.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1529 ' ' LEU . . . . . 0.693 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 97.2 mt -118.31 29.21 7.9 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.666 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.5 m -52.7 -35.48 55.67 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 124.498 1.119 . . . . 0.0 112.58 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 19.6 m -69.19 -17.42 63.8 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 120.924 0.393 . . . . 0.0 111.893 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 73.2 mt -110.18 -17.39 13.55 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.816 0.341 . . . . 0.0 110.399 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 23.0 t -69.19 117.07 10.37 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.778 -176.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -173.64 154.44 19.93 Favored Glycine 0 N--CA 1.42 -2.425 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1535 ' ' ARG . . . . . 0.528 ' O ' ' HA ' ' A' 1556 ' ' ASN . 51.6 mtp180 -71.62 -22.65 61.68 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 122.824 0.45 . . . . 0.0 111.813 -176.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -77.03 -24.17 52.08 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.044 0.449 . . . . 0.0 110.162 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1537 ' ' GLY . . . . . 0.595 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 54.92 -110.66 1.79 Allowed Glycine 0 CA--C 1.493 -1.319 0 CA-C-N 114.602 -1.181 . . . . 0.0 112.898 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 41.9 t80 -152.42 140.1 19.85 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 29.4 m -111.09 114.11 27.14 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -129.03 130.98 47.3 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.704 -177.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -102.68 134.94 45.23 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -133.2 169.98 16.1 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -59.75 128.05 35.0 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.681 178.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 11.0 mptt 64.89 18.96 11.71 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.705 1.202 . . . . 0.0 111.941 -178.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -162.8 63.61 0.26 Allowed Glycine 0 CA--C 1.483 -1.92 0 N-CA-C 108.75 -1.74 . . . . 0.0 108.75 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 75.4 m95 -79.9 68.06 5.89 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 114.984 -0.608 . . . . 0.0 111.222 -174.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . 146.94 89.91 0.09 OUTLIER Glycine 0 N--CA 1.425 -2.063 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 174.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 48.1 t -113.12 114.07 45.86 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.972 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1549 ' ' TYR . . . . . 0.445 ' O ' ' HA ' ' A' 1565 ' ' ALA . 89.1 m-85 -103.45 104.36 14.43 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.913 -1.144 . . . . 0.0 107.913 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1550 ' ' MET . . . . . 0.595 ' O ' ' HA3' ' A' 1537 ' ' GLY . 23.1 ptp -113.85 141.5 47.25 Favored 'General case' 0 C--N 1.29 -1.999 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1551 ' ' SER . . . . . 0.414 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 20.2 t -97.94 161.27 13.81 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 175.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 49.4 mm -119.26 103.59 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.681 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 76.3 m 70.21 37.63 1.6 Allowed 'General case' 0 C--N 1.317 -0.824 0 O-C-N 124.842 1.339 . . . . 0.0 112.95 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . -178.37 -150.32 8.65 Favored Glycine 0 N--CA 1.431 -1.684 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.315 176.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.59 152.74 22.06 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 122.76 0.424 . . . . 0.0 110.033 175.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1556 ' ' ASN . . . . . 0.528 ' HA ' ' O ' ' A' 1535 ' ' ARG . 25.9 t-20 -91.36 129.07 37.4 Favored 'General case' 0 C--N 1.306 -1.295 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.016 -176.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -75.0 -10.57 59.6 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -175.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 17.3 m120 -91.48 -10.94 39.0 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 175.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 74.0 m -102.38 165.87 13.04 Favored Pre-proline 0 C--N 1.303 -1.432 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.145 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -60.21 140.87 94.34 Favored 'Trans proline' 0 CA--C 1.546 1.087 0 C-N-CA 122.201 1.934 . . . . 0.0 110.521 171.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -56.62 104.5 0.14 Allowed 'Trans proline' 0 N--CA 1.478 0.605 0 C-N-CA 123.654 2.902 . . . . 0.0 112.974 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 131.96 -22.2 4.31 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 90.9 t -87.79 130.33 37.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -90.05 -27.14 22.09 Favored Glycine 0 N--CA 1.438 -1.218 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.751 -177.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1565 ' ' ALA . . . . . 0.445 ' HA ' ' O ' ' A' 1549 ' ' TYR . . . -153.71 138.38 16.96 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 120.758 0.313 . . . . 0.0 110.908 -179.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 86.0 m -121.4 138.32 54.32 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 122.954 0.502 . . . . 0.0 110.157 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 88.2 t80 -112.37 113.45 25.65 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 95.94 167.62 34.71 Favored Glycine 0 C--N 1.31 -0.879 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.936 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -78.67 -7.48 57.71 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 11.7 m -89.06 -3.75 58.58 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 173.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 59.55 45.91 12.75 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 125.957 1.703 . . . . 0.0 113.038 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 95.5 mt -60.43 114.76 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 174.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 34.6 p -64.71 122.64 17.34 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.015 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.43 HG22 ' HB3' ' A' 1606 ' ' TYR . 14.9 p -109.51 27.37 2.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 CA-C-O 122.559 1.171 . . . . 0.0 108.762 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 151.4 150.55 5.36 Favored Glycine 0 N--CA 1.43 -1.723 0 CA-C-N 114.732 -1.122 . . . . 0.0 114.354 173.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.485 ' HE2' ' O ' ' A' 1594 ' ' ASP . 75.4 mmtt -81.79 154.53 25.89 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -66.97 147.48 53.17 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.605 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 9.1 p30 -161.28 150.34 16.34 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 22.1 pttp -128.96 10.58 5.94 Favored 'General case' 0 C--N 1.312 -1.025 0 O-C-N 123.953 0.783 . . . . 0.0 111.043 -175.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -100.14 115.78 30.62 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-O 121.298 0.571 . . . . 0.0 111.343 -178.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 79.0 mt -82.2 138.6 34.63 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 115.03 -0.987 . . . . 0.0 109.506 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -107.62 112.83 25.74 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 175.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 24.2 t80 -92.68 100.18 12.73 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1584 ' ' VAL . . . . . 0.403 ' O ' HG22 ' A' 1587 ' ' VAL . 14.8 m -133.31 135.37 56.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.202 -177.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 56.45 34.64 24.61 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.439 0.696 . . . . 0.0 112.479 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 25.8 mp0 60.78 30.65 19.81 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 115.29 -0.868 . . . . 0.0 113.245 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1587 ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' 1584 ' ' VAL . 22.2 m -135.04 152.2 32.24 Favored 'Isoleucine or valine' 0 C--O 1.244 0.806 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 173.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.47 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 79.3 mt -98.0 122.54 41.25 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -108.22 124.05 49.69 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.987 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 53.9 mt -115.91 123.48 48.2 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 170.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.5 p -121.06 107.2 19.89 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 CA-C-O 122.193 0.997 . . . . 0.0 111.126 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -89.85 96.86 10.88 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 58.5 pttt -115.03 179.41 3.96 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 -175.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1594 ' ' ASP . . . . . 0.485 ' O ' ' HE2' ' A' 1576 ' ' LYS . 62.6 m-20 62.6 43.04 7.9 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.126 1.37 . . . . 0.0 110.97 178.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -83.07 -118.93 0.63 Allowed Glycine 0 N--CA 1.437 -1.297 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.128 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 32.1 t -86.06 132.98 41.99 Favored Pre-proline 0 C--N 1.3 -1.562 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -63.17 120.93 8.58 Favored 'Trans proline' 0 C--O 1.254 1.275 0 C-N-CA 122.867 2.378 . . . . 0.0 110.707 175.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 61.2 m -65.09 117.07 35.86 Favored Pre-proline 0 C--N 1.312 -1.022 0 C-N-CA 123.716 0.806 . . . . 0.0 111.116 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -59.22 -35.12 98.07 Favored 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 123.399 2.732 . . . . 0.0 112.938 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 23.3 t -89.36 -44.88 9.89 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -92.84 66.92 4.36 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.283 0.563 . . . . 0.0 109.831 -179.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 34.9 m -59.74 112.78 1.95 Allowed 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.495 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 123.13 -7.53 9.22 Favored Glycine 0 N--CA 1.427 -1.964 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -178.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 96.4 mt -123.06 158.97 29.42 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-O 121.236 0.541 . . . . 0.0 110.021 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 11.7 p -128.12 145.56 50.97 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.164 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.43 ' HB3' HG22 ' A' 1574 ' ' VAL . 84.3 m-85 -63.73 128.19 34.72 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.111 178.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -136.89 145.22 44.09 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.126 -177.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 6.8 p -119.23 131.36 55.8 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.521 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 62.0 t -113.05 111.55 36.61 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 58.9 mt -102.4 112.2 34.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 15.4 m -105.75 116.63 32.28 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.034 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.47 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 80.7 m-85 -90.42 107.51 19.2 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 22.3 t -102.08 136.56 33.62 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1614 ' ' CYS . . . . . 0.617 ' HA ' ' O ' ' A' 1642 ' ' THR . 34.5 m -68.32 124.85 24.63 Favored 'General case' 0 C--N 1.31 -1.124 0 C-N-CA 122.998 0.519 . . . . 0.0 112.005 -175.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -140.3 108.33 6.76 Favored Pre-proline 0 C--N 1.315 -0.9 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.448 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -66.63 -20.35 53.32 Favored 'Trans proline' 0 N--CA 1.489 1.246 0 C-N-CA 123.095 2.53 . . . . 0.0 111.527 178.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -80.35 42.13 0.57 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.009 1.324 . . . . 0.0 110.519 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -55.47 121.62 9.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 124.427 1.091 . . . . 0.0 112.249 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -174.73 -114.68 0.37 Allowed Glycine 0 C--N 1.301 -1.406 0 N-CA-C 108.634 -1.786 . . . . 0.0 108.634 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1620 ' ' PRO . . . . . 0.432 ' O ' ' HG2' ' A' 1623 ' ' ARG . 21.1 Cg_exo -67.84 -10.92 30.37 Favored 'Trans proline' 0 N--CA 1.483 0.866 0 C-N-CA 122.533 2.155 . . . . 0.0 110.36 174.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 12.5 p -74.07 -21.69 59.82 Favored 'General case' 0 N--CA 1.427 -1.615 0 C-N-CA 125.127 1.371 . . . . 0.0 111.254 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 63.7 t30 -85.19 54.05 2.97 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 122.101 0.953 . . . . 0.0 110.628 -175.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1623 ' ' ARG . . . . . 0.432 ' HG2' ' O ' ' A' 1620 ' ' PRO . 9.7 ptm180 -155.43 164.23 21.91 Favored Pre-proline 0 C--N 1.305 -1.329 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 176.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1624 ' ' PRO . . . . . 0.519 ' HA ' ' O ' ' A' 1639 ' ' SER . 72.2 Cg_endo -89.65 143.96 4.47 Favored 'Trans proline' 0 N--CA 1.431 -2.158 0 C-N-CA 121.483 1.455 . . . . 0.0 111.283 177.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 19.8 mmt -119.96 153.3 36.15 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 173.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.6 tt -90.88 102.35 15.11 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 -178.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.0 mm -80.15 -51.91 15.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.613 -174.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 19.6 m -137.26 127.01 25.46 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 120.479 -0.489 . . . . 0.0 110.197 -177.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.62 102.99 14.65 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 105.504 -2.036 . . . . 0.0 105.504 176.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 14.4 t70 -109.73 100.99 9.92 Favored 'General case' 0 C--N 1.291 -1.941 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.218 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -84.11 -7.31 59.41 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -72.06 -46.49 56.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.302 0.572 . . . . 0.0 110.438 -178.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 37.5 p -106.59 8.15 31.1 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.712 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 71.4 m 57.49 40.48 27.09 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.964 -179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 25.4 m -121.63 122.29 39.28 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-O 121.122 0.487 . . . . 0.0 110.417 -175.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.39 122.17 43.75 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -95.49 119.23 33.63 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.084 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -116.89 143.32 45.83 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1639 ' ' SER . . . . . 0.519 ' O ' ' HA ' ' A' 1624 ' ' PRO . 10.0 t -126.23 133.0 51.61 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -119.15 135.36 54.7 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -112.03 101.54 9.82 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 119.331 -0.948 . . . . 0.0 111.479 -177.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1642 ' ' THR . . . . . 0.617 ' O ' ' HA ' ' A' 1614 ' ' CYS . 4.9 t -126.53 137.9 31.33 Favored Pre-proline 0 C--N 1.312 -1.055 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.575 -177.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.71 -10.63 18.51 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.765 2.31 . . . . 0.0 112.322 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.31 -13.19 60.16 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -176.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1645 ' ' ALA . . . . . 0.405 ' HB1' ' SG ' ' A' 1614 ' ' CYS . . . -77.93 -10.01 59.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.458 0.647 . . . . 0.0 111.265 -178.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 97.3 m -132.16 158.72 40.95 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -78.28 75.95 4.8 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.896 0.855 . . . . 0.0 109.623 177.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 57.8 tp -77.21 92.95 3.88 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.841 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.419 -1.993 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.254 177.521 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.467 0.4 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -70.83 -67.64 0.49 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.945 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 21.7 t -123.11 77.4 1.46 Allowed 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1511 ' ' ASN . . . . . 0.41 ' ND2' ' HG2' ' A' 1512 ' ' GLU . 4.9 p-10 -114.13 -34.67 5.28 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.58 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1512 ' ' GLU . . . . . 0.41 ' HG2' ' ND2' ' A' 1511 ' ' ASN . 21.2 mm-40 -91.61 81.16 5.32 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.403 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 5.9 t60 -96.01 68.06 2.7 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 -177.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 46.0 m-20 61.15 52.58 3.91 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -177.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 9.6 t70 -61.98 55.77 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 128.079 2.552 . . . . 0.0 115.384 -169.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1516 ' ' CYS . . . . . 0.407 ' HA ' ' HB2' ' A' 1581 ' ' LEU . 52.0 m 64.66 31.7 11.87 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 124.53 1.132 . . . . 0.0 111.899 175.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1517 ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' 1527 ' ' PHE . 18.2 pt20 -138.82 129.55 26.25 Favored 'General case' 0 N--CA 1.419 -1.995 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.551 178.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 60.9 t -125.42 127.07 71.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -178.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 10.7 m -99.49 111.64 23.97 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -100.75 116.1 64.56 Favored Pre-proline 0 C--N 1.317 -0.821 0 C-N-CA 120.681 -0.408 . . . . 0.0 109.925 178.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.96 -21.95 52.35 Favored 'Trans proline' 0 N--CA 1.484 0.952 0 C-N-CA 123.825 3.017 . . . . 0.0 113.344 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 13.3 m -64.65 -41.11 96.35 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-O 121.24 0.543 . . . . 0.0 111.014 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 1.7 p -104.29 -28.54 11.34 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.124 0.488 . . . . 0.0 112.142 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 79.83 14.07 81.42 Favored Glycine 0 N--CA 1.442 -0.966 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 6.0 t60 -107.97 139.04 43.18 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -175.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 64.7 tp -87.6 110.33 20.3 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 177.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1527 ' ' PHE . . . . . 0.435 ' CZ ' ' HA ' ' A' 1647 ' ' GLU . 78.0 m-85 -93.52 114.33 26.67 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.2 p30 -122.51 162.59 21.48 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.769 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 97.6 mt -121.09 28.2 8.0 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.522 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 79.9 p -61.37 -31.96 71.86 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -175.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 15.9 m -65.76 -24.1 66.87 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.041 0.448 . . . . 0.0 111.302 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 73.0 mt -103.12 6.92 38.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.121 0.486 . . . . 0.0 110.329 -176.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 19.3 m -87.91 97.22 10.82 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-O 121.399 0.619 . . . . 0.0 111.45 -176.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -111.28 146.29 17.74 Favored Glycine 0 C--N 1.3 -1.429 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -74.86 -31.91 61.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 117.832 0.816 . . . . 0.0 111.675 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -92.35 -14.98 27.93 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 121.616 0.722 . . . . 0.0 109.212 174.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1537 ' ' GLY . . . . . 0.413 ' HA3' ' HA ' ' A' 1551 ' ' SER . . . 68.14 -136.19 30.4 Favored Glycine 0 N--CA 1.427 -1.916 0 CA-C-N 114.805 -1.089 . . . . 0.0 112.642 177.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -130.54 135.94 48.43 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 4.6 m -109.88 107.81 17.89 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -110.42 139.59 45.48 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.732 -177.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -110.16 111.05 22.15 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -103.14 170.13 8.14 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 119.461 -0.304 . . . . 0.0 110.184 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -65.33 -36.28 83.55 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.793 0.806 . . . . 0.0 110.076 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -93.9 27.49 2.74 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.572 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 159.4 90.2 0.08 OUTLIER Glycine 0 N--CA 1.437 -1.269 0 C-N-CA 120.324 -0.941 . . . . 0.0 111.932 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 24.5 m-90 -80.16 68.71 6.39 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.286 0.565 . . . . 0.0 111.113 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . 147.9 90.49 0.09 OUTLIER Glycine 0 N--CA 1.427 -1.951 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 177.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 54.9 t -122.73 112.68 35.14 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.931 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -93.32 104.13 16.32 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 -178.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.3 ptp -120.59 121.93 39.45 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.445 -178.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1551 ' ' SER . . . . . 0.413 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 31.6 t -96.98 114.17 25.77 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 175.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 50.2 mm -79.28 112.07 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 31.4 t 72.33 52.32 0.18 Allowed 'General case' 0 C--N 1.316 -0.857 0 O-C-N 124.32 1.012 . . . . 0.0 111.897 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 163.31 -171.62 39.07 Favored Glycine 0 N--CA 1.426 -2.008 0 C-N-CA 119.648 -1.263 . . . . 0.0 111.617 176.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.76 147.15 23.2 Favored 'General case' 0 N--CA 1.423 -1.785 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -92.72 128.24 38.51 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -176.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -69.55 -11.83 61.15 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.929 0.395 . . . . 0.0 111.945 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -88.5 0.23 56.51 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 74.6 m -126.91 163.01 44.07 Favored Pre-proline 0 C--N 1.303 -1.417 0 C-N-CA 123.485 0.714 . . . . 0.0 109.507 -178.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -52.7 145.85 37.37 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.963 2.442 . . . . 0.0 111.369 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -51.32 99.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 123.763 2.975 . . . . 0.0 112.825 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1562 ' ' GLY . . . . . 0.436 ' O ' ' HD2' ' A' 1576 ' ' LYS . . . 125.16 -17.12 7.12 Favored Glycine 0 N--CA 1.439 -1.101 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.904 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 65.8 t -88.01 130.36 37.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -97.36 -29.78 7.71 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.56 -0.828 . . . . 0.0 113.111 -175.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -137.22 138.03 39.72 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.423 -177.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 71.9 m -131.73 137.38 48.21 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.096 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 83.6 t80 -109.89 130.14 55.56 Favored 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 122.869 0.468 . . . . 0.0 110.638 -178.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 89.76 170.03 44.12 Favored Glycine 0 N--CA 1.437 -1.287 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.418 175.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -72.36 -22.02 61.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.812 0.339 . . . . 0.0 111.611 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 20.4 m -80.84 -8.61 59.75 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 122.475 1.131 . . . . 0.0 109.227 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 60.54 55.17 3.49 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 125.766 1.626 . . . . 0.0 111.822 175.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 68.7 mt -66.99 124.4 22.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 3.0 p -60.18 110.8 1.31 Allowed 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 121.418 0.628 . . . . 0.0 111.58 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1574 ' ' VAL . . . . . 0.463 HG22 ' HB3' ' A' 1606 ' ' TYR . 12.4 p -113.17 21.46 6.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-O 122.085 0.945 . . . . 0.0 109.861 -176.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 161.75 131.95 1.28 Allowed Glycine 0 N--CA 1.43 -1.711 0 C-N-CA 119.056 -1.545 . . . . 0.0 114.233 176.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1576 ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' A' 1562 ' ' GLY . 28.6 tptp -76.04 145.33 40.25 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 176.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -62.14 87.9 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -176.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.51 131.83 41.26 Favored 'General case' 0 CA--C 1.493 -1.222 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 176.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -114.81 1.55 14.14 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -67.61 93.87 0.39 Allowed 'General case' 0 C--O 1.25 1.116 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.642 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1581 ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' 1516 ' ' CYS . 0.6 OUTLIER -75.92 127.29 32.68 Favored 'General case' 0 CA--C 1.493 -1.249 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 176.264 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -112.54 127.14 55.99 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.65 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1583 ' ' TYR . . . . . 0.434 ' CE1' ' HA ' ' A' 1586 ' ' GLN . 80.2 t80 -101.46 102.86 13.72 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 175.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 8.2 m -131.83 127.0 58.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.35 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 31.4 t70 51.8 50.17 19.23 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 122.509 1.147 . . . . 0.0 111.721 179.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1586 ' ' GLN . . . . . 0.434 ' HA ' ' CE1' ' A' 1583 ' ' TYR . 79.2 mt-30 63.17 14.84 8.05 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 177.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 12.8 p -123.51 141.95 41.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 177.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1588 ' ' LEU . . . . . 0.426 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 95.9 mt -92.44 131.25 37.75 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -137.75 135.45 36.37 Favored 'General case' 0 C--N 1.291 -1.975 0 C-N-CA 119.203 -0.999 . . . . 0.0 111.503 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 67.4 mt -114.3 123.39 49.39 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 176.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 57.8 t -113.18 108.12 24.71 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.326 0 CA-C-O 121.128 0.489 . . . . 0.0 110.082 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -88.76 88.9 7.77 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -97.31 177.88 5.41 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 113.168 -1.833 . . . . 0.0 109.903 -175.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 26.0 t70 55.65 62.84 2.26 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 122.227 1.013 . . . . 0.0 113.129 177.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -104.47 -144.08 12.84 Favored Glycine 0 N--CA 1.437 -1.28 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 174.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1596 ' ' SER . . . . . 0.428 ' O ' ' HD1' ' A' 1606 ' ' TYR . 20.1 t -64.41 134.61 96.04 Favored Pre-proline 0 C--N 1.311 -1.078 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 178.111 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.35 147.33 82.84 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.368 2.045 . . . . 0.0 112.354 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 61.5 m -105.77 150.23 38.91 Favored Pre-proline 0 C--N 1.309 -1.186 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 -176.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -82.36 3.82 7.53 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 123.47 2.78 . . . . 0.0 113.221 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 20.4 m -91.69 6.85 44.28 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -176.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 4.3 mptp? 65.16 -61.4 0.23 Allowed 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 31.0 t -74.03 118.13 16.63 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -178.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 66.78 48.64 60.27 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.81 86.35 2.22 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 122.223 1.011 . . . . 0.0 113.723 -174.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 15.1 p -178.33 124.3 0.11 Allowed 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.486 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1606 ' ' TYR . . . . . 0.463 ' HB3' HG22 ' A' 1574 ' ' VAL . 49.1 m-85 -65.27 124.79 23.13 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 171.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -139.5 144.6 38.01 Favored 'General case' 0 N--CA 1.424 -1.733 0 CA-C-O 121.389 0.614 . . . . 0.0 110.798 -176.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 32.8 t -113.9 126.28 54.99 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.002 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.6 t -111.69 107.92 24.17 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 60.7 mt -104.26 111.08 32.44 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 13.0 t -98.3 127.19 44.11 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1612 ' ' PHE . . . . . 0.426 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 97.7 m-85 -105.95 104.54 14.27 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -176.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 53.0 t -98.27 138.39 23.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.07 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 29.4 t -61.26 100.66 0.13 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.332 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -136.13 88.57 21.53 Favored Pre-proline 0 C--N 1.308 -1.201 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -71.0 7.01 1.48 Allowed 'Trans proline' 0 N--CA 1.48 0.732 0 C-N-CA 123.887 3.058 . . . . 0.0 113.755 -177.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.7 -36.39 83.68 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 123.38 0.672 . . . . 0.0 110.211 -178.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1618 ' ' ALA . . . . . 0.679 ' HA ' ' OD1' ' A' 1622 ' ' ASN . . . 61.09 -173.47 0.13 Allowed 'General case' 0 C--O 1.253 1.274 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.571 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 70.79 -124.62 12.21 Favored Glycine 0 N--CA 1.439 -1.141 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.986 178.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -66.47 -17.89 53.95 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.96 2.44 . . . . 0.0 111.894 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1621 ' ' THR . . . . . 0.617 ' O ' ' HB2' ' A' 1641 ' ' HIS . 7.2 m -69.56 -32.61 71.51 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.085 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1622 ' ' ASN . . . . . 0.679 ' OD1' ' HA ' ' A' 1618 ' ' ALA . 4.9 m-20 -82.76 59.02 4.56 Favored 'General case' 0 C--O 1.247 0.966 0 CA-C-O 121.493 0.663 . . . . 0.0 111.652 -175.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -139.38 144.24 39.25 Favored Pre-proline 0 C--N 1.306 -1.289 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -74.44 123.3 8.06 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.347 2.032 . . . . 0.0 110.83 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 24.5 mmt -113.45 140.25 48.24 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.636 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.8 tt -80.92 115.8 20.58 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 46.4 mm -93.46 -52.77 9.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.674 -177.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 22.3 m -139.51 134.94 32.94 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.916 -0.49 . . . . 0.0 110.961 -177.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.35 109.64 21.43 Favored 'General case' 0 N--CA 1.435 -1.19 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 12.0 t70 -113.53 98.95 7.39 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -82.71 -13.35 56.53 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 121.171 0.51 . . . . 0.0 110.627 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -71.9 -45.81 59.96 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.596 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 24.0 p -105.55 12.02 31.77 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.769 0.795 . . . . 0.0 110.141 175.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 37.8 m 52.9 46.33 26.99 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 113.914 -1.494 . . . . 0.0 111.385 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 26.6 m -115.78 117.04 29.11 Favored 'General case' 0 N--CA 1.415 -2.195 0 CA-C-O 121.319 0.581 . . . . 0.0 110.117 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.6 mp -99.09 112.96 24.96 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -87.79 112.66 22.68 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.347 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -115.64 143.86 44.75 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 32.7 t -125.99 125.94 43.51 Favored 'General case' 0 N--CA 1.408 -2.53 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 176.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -103.51 136.04 43.98 Favored 'General case' 0 N--CA 1.41 -2.45 0 N-CA-C 105.45 -2.056 . . . . 0.0 105.45 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1641 ' ' HIS . . . . . 0.617 ' HB2' ' O ' ' A' 1621 ' ' THR . 41.3 m-70 -104.75 109.67 21.7 Favored 'General case' 0 C--N 1.281 -2.371 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -177.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1642 ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' 1643 ' ' PRO . 5.1 t -138.95 141.35 29.92 Favored Pre-proline 0 C--N 1.312 -1.047 0 CA-C-O 121.546 0.688 . . . . 0.0 112.353 -175.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1643 ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' 1642 ' ' THR . 14.5 Cg_exo -70.78 -10.0 26.87 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 123.505 2.803 . . . . 0.0 111.523 173.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.11 -10.61 59.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.034 0.445 . . . . 0.0 111.0 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.77 12.07 33.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.743 0.783 . . . . 0.0 109.922 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 65.2 m -99.66 135.47 41.03 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1647 ' ' GLU . . . . . 0.435 ' HA ' ' CZ ' ' A' 1527 ' ' PHE . 36.4 mt-10 -81.17 80.48 7.61 Favored 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -178.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 61.4 tp -89.33 129.28 35.89 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 174.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.541 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.508 -177.58 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 96.8 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 121.456 0.646 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' 1527 ' ' PHE . 21.3 pt20 -148.37 139.55 23.29 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -178.204 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 57.4 t -130.68 132.73 64.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 19.5 m -99.71 136.34 39.78 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 41.6 t30 -104.91 106.29 54.66 Favored Pre-proline 0 C--N 1.314 -0.967 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 174.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.43 -26.8 55.39 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 124.029 3.153 . . . . 0.0 113.937 -176.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.8 m -60.15 -50.87 71.98 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 122.659 0.384 . . . . 0.0 111.146 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 8.5 p -98.08 -27.24 14.3 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 121.611 0.72 . . . . 0.0 111.896 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 90.51 1.97 73.77 Favored Glycine 0 N--CA 1.441 -0.973 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -175.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -77.23 139.42 39.86 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 124.003 0.921 . . . . 0.0 111.266 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 66.9 tp -105.95 127.16 52.96 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.134 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' 1517 ' ' GLN . 72.0 m-85 -97.45 106.57 18.91 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 175.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.4 p30 -122.29 149.79 43.23 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 92.2 mt -116.3 26.68 9.74 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 121.37 0.605 . . . . 0.0 109.915 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 18.4 m -68.62 -29.9 68.51 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.182 -175.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 7.7 p -72.85 -22.14 60.83 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.982 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 86.2 mt -99.69 -2.6 34.96 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.68 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 17.6 t -76.64 138.34 40.01 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -152.63 153.99 25.23 Favored Glycine 0 CA--C 1.498 -0.991 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -84.1 -40.3 18.45 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.199 0.523 . . . . 0.0 109.922 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -83.96 -20.17 33.37 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 67.7 -134.73 30.36 Favored Glycine 0 N--CA 1.434 -1.449 0 CA-C-N 114.152 -1.385 . . . . 0.0 113.52 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 55.8 t80 -130.12 132.84 46.28 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 26.7 m -108.04 110.67 22.42 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -97.74 128.05 44.12 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.619 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -88.48 119.79 29.25 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 121.222 0.534 . . . . 0.0 110.152 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 91.0 t80 . . . . . 0 C--N 1.294 -1.829 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.957 179.839 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.693 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 44.1 t -93.15 114.15 29.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -93.64 104.67 16.76 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 107.848 -1.168 . . . . 0.0 107.848 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 23.1 ptm -126.05 125.19 42.2 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 120.938 0.399 . . . . 0.0 111.049 -176.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 69.0 m -107.02 130.66 54.62 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.105 176.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 50.9 mm -78.9 104.4 6.82 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 85.3 m 64.85 81.68 0.2 Allowed 'General case' 0 C--N 1.316 -0.858 0 O-C-N 124.526 1.141 . . . . 0.0 112.125 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 153.32 -176.28 31.43 Favored Glycine 0 N--CA 1.414 -2.783 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.05 176.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1555 ' ' GLU . . . . . 0.449 ' OE1' ' HA ' ' A' 1561 ' ' PRO . 0.0 OUTLIER -104.61 133.54 49.29 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.609 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.529 ' HB3' ' SG ' ' A' 1559 ' ' CYS . 23.1 t-20 -80.34 139.04 36.76 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.049 -172.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -55.91 -28.83 58.54 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.116 1.366 . . . . 0.0 113.618 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -89.62 -15.06 33.57 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 121.962 0.887 . . . . 0.0 109.598 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1559 ' ' CYS . . . . . 0.529 ' SG ' ' HB3' ' A' 1556 ' ' ASN . 92.6 m -94.52 154.24 40.19 Favored Pre-proline 0 C--N 1.299 -1.607 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.948 -177.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -64.0 139.68 68.7 Favored 'Trans proline' 0 C--O 1.246 0.88 0 C-N-CA 122.13 1.887 . . . . 0.0 109.443 173.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1561 ' ' PRO . . . . . 0.449 ' HA ' ' OE1' ' A' 1555 ' ' GLU . 6.7 Cg_endo -47.54 104.16 0.07 OUTLIER 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 124.25 3.3 . . . . 0.0 114.379 -175.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 126.48 -19.71 6.26 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.143 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 86.9 t -88.97 131.21 36.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -95.73 -25.06 13.98 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.569 -0.824 . . . . 0.0 113.361 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -142.89 131.56 22.58 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.755 0.312 . . . . 0.0 110.862 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 78.2 m -125.58 133.69 52.19 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.123 0.487 . . . . 0.0 110.344 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 44.0 t80 -98.29 114.31 26.55 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.854 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 81.3 179.77 53.16 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 115.1 0.8 . . . . 0.0 115.1 171.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -67.77 -25.96 65.87 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 124.496 1.118 . . . . 0.0 112.579 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 16.3 m -80.92 -6.55 58.82 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 122.044 0.926 . . . . 0.0 108.926 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 58.57 44.49 17.6 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 113.978 -1.465 . . . . 0.0 111.824 172.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.67 117.15 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.576 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 14.7 p -62.11 119.03 8.15 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-O 121.239 0.542 . . . . 0.0 111.37 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.494 HG23 ' HB3' ' A' 1606 ' ' TYR . 10.7 p -117.17 31.74 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 CA-C-O 123.182 1.468 . . . . 0.0 108.614 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1575 ' ' GLY . . . . . 0.47 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 153.01 127.77 1.25 Allowed Glycine 0 N--CA 1.421 -2.325 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.908 177.131 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 48.4 tptt -76.86 149.19 36.16 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -61.39 104.92 0.45 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.264 0.554 . . . . 0.0 110.928 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -114.66 153.47 30.15 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.818 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 21.2 pttm -133.18 15.63 4.16 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 121.472 0.653 . . . . 0.0 110.624 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -82.77 91.54 7.06 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.397 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.615 HD11 ' HB3' ' A' 1588 ' ' LEU . 57.5 tp -86.68 119.27 26.74 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -107.23 135.16 49.22 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 39.1 t80 -105.85 100.84 10.38 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 16.5 m -131.69 124.22 53.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.559 -175.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 34.2 t70 60.49 39.14 18.6 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 122.323 1.058 . . . . 0.0 110.735 176.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 64.9 22.64 12.51 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.062 1.345 . . . . 0.0 112.593 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 57.4 t -125.51 135.52 63.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.615 ' HB3' HD11 ' A' 1581 ' ' LEU . 96.8 mt -90.19 132.03 35.7 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 175.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -130.59 129.49 42.82 Favored 'General case' 0 C--N 1.282 -2.354 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.746 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 49.6 mt -115.17 123.6 49.32 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.751 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 57.9 t -113.71 112.82 41.89 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 CA-C-O 121.302 0.572 . . . . 0.0 109.527 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1592 ' ' TYR . . . . . 0.47 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 96.7 m-85 -92.49 87.93 6.16 Favored 'General case' 0 C--N 1.289 -2.03 0 CA-C-O 122.03 0.919 . . . . 0.0 108.701 176.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 20.7 pttp -82.63 171.24 14.26 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 113.42 -1.718 . . . . 0.0 111.447 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 37.8 t70 57.6 80.72 0.16 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.222 1.409 . . . . 0.0 112.572 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -109.28 -154.0 15.51 Favored Glycine 0 C--N 1.293 -1.822 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 176.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 28.1 m -71.96 126.44 91.32 Favored Pre-proline 0 C--N 1.297 -1.679 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -54.56 122.51 11.7 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.777 2.318 . . . . 0.0 110.366 174.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 58.2 m . . . . . 0 C--N 1.309 -1.183 0 C-N-CA 123.285 0.634 . . . . 0.0 109.616 -178.48 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 80.2 mt . . . . . 0 C--O 1.244 0.777 0 CA-C-O 120.971 0.415 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 77.9 p -137.04 157.52 46.53 Favored 'General case' 0 N--CA 1.429 -1.497 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.173 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.494 ' HB3' HG23 ' A' 1574 ' ' VAL . 98.5 m-85 -67.94 118.08 10.66 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.004 178.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -126.09 147.71 49.52 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.874 -174.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 44.6 m -112.04 125.9 54.59 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.04 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 84.1 t -113.33 111.68 37.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 52.4 mt -102.96 121.94 54.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 27.9 t -107.78 110.48 22.29 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.556 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 87.2 m-85 -94.31 99.59 11.78 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.6 t -80.66 131.49 33.86 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.984 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 15.6 t -70.55 90.53 0.75 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.713 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -121.5 99.06 45.69 Favored Pre-proline 0 C--N 1.299 -1.612 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo . . . . . 0 C--O 1.244 0.779 0 C-N-CA 122.083 1.855 . . . . 0.0 109.344 175.922 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 40.3 mtm105 . . . . . 0 N--CA 1.438 -1.07 0 N-CA-C 104.956 -2.239 . . . . 0.0 104.956 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.438 ' HD3' ' CZ3' ' A' 1640 ' ' TRP . 54.1 Cg_endo -75.04 121.31 6.48 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 120.828 1.019 . . . . 0.0 110.579 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 63.0 mtp -102.51 130.89 49.47 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.4 tt -81.1 100.73 9.19 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 -177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.3 mm -86.06 -42.74 16.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -175.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 35.0 t -140.23 126.3 19.71 Favored 'General case' 0 N--CA 1.421 -1.921 0 C-N-CA 120.146 -0.622 . . . . 0.0 109.912 -177.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.55 113.89 27.75 Favored 'General case' 0 N--CA 1.435 -1.206 0 N-CA-C 105.701 -1.962 . . . . 0.0 105.701 176.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.1 t70 -112.34 110.65 21.0 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 120.939 0.4 . . . . 0.0 110.31 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 67.3 mttm -84.21 -29.74 26.31 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.108 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -62.9 -45.51 92.19 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -174.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 17.6 p -111.71 11.99 21.06 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-O 121.307 0.575 . . . . 0.0 111.088 178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 59.0 m 56.5 53.05 9.02 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.577 -1.192 . . . . 0.0 112.14 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 38.1 m -126.1 125.9 43.31 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.836 -0.54 . . . . 0.0 110.814 -177.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.67 123.31 47.38 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -99.67 114.13 27.01 Favored 'General case' 0 C--O 1.252 1.198 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.564 -178.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -110.96 130.85 55.46 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.755 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 44.3 t -108.76 128.55 54.98 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1640 ' ' TRP . . . . . 0.438 ' CZ3' ' HD3' ' A' 1624 ' ' PRO . 2.2 t-105 -119.44 128.82 54.38 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 18.1 m170 -97.51 101.84 13.47 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.8 t -127.75 141.4 40.94 Favored Pre-proline 0 N--CA 1.431 -1.393 0 CA-C-O 121.149 0.499 . . . . 0.0 110.766 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -81.79 0.13 10.04 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 122.865 2.377 . . . . 0.0 110.854 174.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 97.0 mt -84.68 -5.2 59.3 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-O 121.353 0.597 . . . . 0.0 110.589 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -97.77 9.64 42.12 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 63.7 m . . . . . 0 N--CA 1.425 -1.707 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.055 -175.849 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 39.0 m . . . . . 0 C--O 1.256 1.443 0 CA-C-O 122.314 1.055 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.421 ' HB2' HD11 ' A' 1526 ' ' LEU . 10.0 pt20 -140.08 139.6 35.92 Favored 'General case' 0 N--CA 1.425 -1.686 0 CA-C-N 113.979 -1.464 . . . . 0.0 108.994 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1518 ' ' VAL . . . . . 0.548 HG23 HD13 ' A' 1581 ' ' LEU . 96.2 t -117.75 125.43 74.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 16.8 m -107.36 113.73 27.3 Favored 'General case' 0 N--CA 1.426 -1.673 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -100.85 107.02 47.46 Favored Pre-proline 0 C--N 1.3 -1.557 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -65.58 -15.42 49.39 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.838 2.358 . . . . 0.0 111.761 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 1.6 p -61.66 -48.64 79.91 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 124.081 0.952 . . . . 0.0 111.344 177.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 3.2 p -104.3 -22.67 13.32 Favored 'General case' 0 N--CA 1.433 -1.309 0 CA-C-O 121.157 0.503 . . . . 0.0 111.856 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 83.71 28.62 34.7 Favored Glycine 0 N--CA 1.44 -1.062 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.784 178.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -118.06 151.2 37.98 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-O 120.748 0.309 . . . . 0.0 111.489 -177.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1526 ' ' LEU . . . . . 0.421 HD11 ' HB2' ' A' 1517 ' ' GLN . 64.5 tp -107.04 110.3 22.39 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.257 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -101.37 126.05 48.09 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -127.0 149.28 49.97 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.737 -174.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 91.7 mt -109.17 6.12 24.5 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 115.331 -0.85 . . . . 0.0 108.967 172.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.1 p -71.08 -26.01 62.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.073 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 34.5 m -71.45 -8.95 57.17 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.293 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 87.0 mt -110.64 8.6 22.79 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 18.4 t -91.11 155.44 18.64 Favored 'General case' 0 N--CA 1.433 -1.316 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.79 -174.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -174.64 147.0 8.84 Favored Glycine 0 N--CA 1.432 -1.58 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1535 ' ' ARG . . . . . 0.488 ' O ' ' HA ' ' A' 1556 ' ' ASN . 31.1 mtm180 -68.31 -31.24 70.53 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 118.148 0.974 . . . . 0.0 111.695 -175.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -85.25 -10.17 56.85 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-O 121.464 0.65 . . . . 0.0 110.446 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 60.42 -136.81 49.19 Favored Glycine 0 N--CA 1.431 -1.687 0 CA-C-N 114.561 -1.199 . . . . 0.0 113.102 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 86.7 t80 -134.04 133.08 40.8 Favored 'General case' 0 C--N 1.285 -2.198 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 29.4 m -105.42 110.25 22.53 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-O 121.265 0.555 . . . . 0.0 109.898 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -105.6 106.57 17.14 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.809 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -84.72 116.61 23.33 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--N 1.309 -1.168 0 CA-C-O 121.089 0.471 . . . . 0.0 110.383 -178.54 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.791 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 47.0 t -113.89 123.88 69.99 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 CA-C-N 117.302 0.551 . . . . 0.0 110.172 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1549 ' ' TYR . . . . . 0.43 ' HB2' ' SG ' ' A' 1566 ' ' CYS . 49.5 m-85 -94.1 104.27 16.3 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 174.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.9 ptm -123.0 128.03 49.63 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-O 120.934 0.397 . . . . 0.0 111.584 -174.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 37.6 t -102.13 132.81 47.79 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 2.4 mp -87.69 110.07 20.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 28.3 t 72.33 94.92 0.07 Allowed 'General case' 0 C--O 1.239 0.535 0 C-N-CA 124.487 1.115 . . . . 0.0 111.267 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 120.07 -166.37 13.57 Favored Glycine 0 N--CA 1.43 -1.712 0 C-N-CA 120.435 -0.888 . . . . 0.0 111.376 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1555 ' ' GLU . . . . . 0.423 ' HA ' ' HA2' ' A' 1564 ' ' GLY . 11.4 pt-20 -107.67 145.45 33.37 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 120.857 0.361 . . . . 0.0 110.27 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.488 ' HA ' ' O ' ' A' 1535 ' ' ARG . 46.0 t-20 -88.87 132.79 34.52 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -177.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -73.32 -14.32 61.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.165 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -92.54 -1.13 57.16 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.426 0.632 . . . . 0.0 109.747 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 73.4 m -119.64 165.01 18.78 Favored Pre-proline 0 C--N 1.303 -1.45 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -55.12 154.33 23.03 Favored 'Trans proline' 0 CA--C 1.551 1.335 0 C-N-CA 122.526 2.15 . . . . 0.0 112.051 176.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.31 123.62 14.28 Favored 'Trans proline' 0 C--O 1.249 1.035 0 C-N-CA 123.344 2.696 . . . . 0.0 112.605 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 95.13 -8.56 69.94 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.991 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 79.8 t -89.1 125.23 42.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.233 0 CA-C-O 120.965 0.412 . . . . 0.0 111.415 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1564 ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' 1555 ' ' GLU . . . -82.99 -32.43 26.39 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.118 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -148.25 134.16 19.09 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1566 ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' 1549 ' ' TYR . 21.5 p -121.56 133.65 55.02 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.33 0.586 . . . . 0.0 110.729 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 79.4 t80 -95.31 124.11 39.18 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.902 -175.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 79.94 171.46 42.53 Favored Glycine 0 N--CA 1.431 -1.678 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.703 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -83.44 -0.37 49.74 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 121.214 0.53 . . . . 0.0 110.485 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 26.0 m -84.15 -3.92 58.45 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-O 122.135 0.969 . . . . 0.0 109.065 173.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 60.27 39.18 19.33 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 114.867 -1.061 . . . . 0.0 112.06 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 79.2 mt -71.86 114.89 11.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 32.0 p -63.25 114.34 3.74 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 121.218 0.532 . . . . 0.0 111.623 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.542 HG23 ' HB3' ' A' 1606 ' ' TYR . 12.8 p -104.93 20.14 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-O 122.472 1.129 . . . . 0.0 109.626 -178.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 156.41 143.99 3.81 Favored Glycine 0 N--CA 1.425 -2.082 0 CA-C-N 114.797 -1.092 . . . . 0.0 113.225 173.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -79.16 158.38 27.71 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 123.593 0.757 . . . . 0.0 109.514 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -67.48 86.14 0.18 Allowed 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 124.355 1.062 . . . . 0.0 111.827 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.59 151.29 19.78 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.81 11.2 7.78 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.36 0.6 . . . . 0.0 110.441 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -76.47 93.15 3.48 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.589 -177.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.548 HD13 HG23 ' A' 1518 ' ' VAL . 0.4 OUTLIER -86.35 122.91 30.98 Favored 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.677 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1582 ' ' ARG . . . . . 0.527 ' NH2' ' HG2' ' A' 1589 ' ' GLN . 89.2 mtm180 -109.01 126.44 53.13 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 -179.116 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 56.3 t80 -116.51 102.18 9.26 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 6.2 m -140.8 144.24 27.32 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.788 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 53.0 m-20 53.44 37.03 24.63 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.469 1.107 . . . . 0.0 113.48 174.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 2.3 mp0 61.0 29.29 18.92 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.651 0.78 . . . . 0.0 111.699 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1587 ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' 1612 ' ' PHE . 5.5 p -135.14 123.93 40.95 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 CA-C-O 121.324 0.583 . . . . 0.0 110.285 176.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.531 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 84.4 mt -84.01 126.93 33.52 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 175.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1589 ' ' GLN . . . . . 0.527 ' HG2' ' NH2' ' A' 1582 ' ' ARG . 26.2 tt0 -129.6 125.33 35.93 Favored 'General case' 0 C--N 1.281 -2.37 0 C-N-CA 119.231 -0.988 . . . . 0.0 111.802 -176.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 55.5 mt -113.44 152.92 29.46 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.566 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.1 p -140.39 128.26 24.31 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -105.07 105.33 15.32 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 172.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 26.4 pttm -108.4 175.34 5.51 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.014 -174.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 11.0 t70 61.54 45.17 8.48 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.775 1.23 . . . . 0.0 112.854 172.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -83.89 -139.56 4.06 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.518 177.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1596 ' ' SER . . . . . 0.462 ' O ' ' HA ' ' A' 1605 ' ' SER . 35.7 m -67.18 147.84 98.91 Favored Pre-proline 0 C--N 1.307 -1.248 0 C-N-CA 123.157 0.583 . . . . 0.0 110.724 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -69.11 134.57 29.7 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.587 2.191 . . . . 0.0 110.762 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 84.1 m . . . . . 0 C--N 1.297 -1.695 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.875 -178.864 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 N--CA 1.434 -1.259 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1605 ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' 1596 ' ' SER . 14.5 m -132.56 142.01 48.97 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -177.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.542 ' HB3' HG23 ' A' 1574 ' ' VAL . 76.3 m-85 -56.14 131.23 47.13 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.168 0.587 . . . . 0.0 112.378 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1607 ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' 1635 ' ' THR . 56.0 mtpt -129.35 143.6 50.91 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 124.331 1.052 . . . . 0.0 110.53 -177.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 37.0 m -119.07 123.31 44.16 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 175.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 90.1 t -107.95 116.11 50.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 45.6 mt -106.39 113.55 43.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 21.6 t -103.22 111.34 23.69 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.531 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 73.8 m-85 -94.38 98.7 11.08 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 58.3 t -82.65 135.69 24.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1614 ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' 1642 ' ' THR . 50.1 t -67.37 121.12 15.07 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.112 -176.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -134.07 90.35 26.45 Favored Pre-proline 0 C--N 1.306 -1.32 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo . . . . . 0 N--CA 1.483 0.877 0 C-N-CA 123.864 3.043 . . . . 0.0 114.192 -178.056 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 . . . . . 0 C--O 1.236 0.36 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.543 ' HA ' ' O ' ' A' 1639 ' ' SER . 67.4 Cg_endo -83.4 122.82 3.27 Favored 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 121.667 1.578 . . . . 0.0 111.267 175.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 86.8 mtp -95.81 139.71 31.64 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.653 -0.655 . . . . 0.0 109.36 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.4 tt -82.52 114.9 21.25 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -175.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.7 mm -93.04 -52.84 9.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.692 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 26.5 t -137.7 143.0 41.06 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.06 95.8 4.8 Favored 'General case' 0 N--CA 1.424 -1.751 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 -176.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -97.77 100.26 11.63 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 176.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -84.06 -13.24 53.63 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.162 -176.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -82.31 -42.36 18.88 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -175.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 36.4 p -102.18 -0.22 33.54 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 122.151 0.977 . . . . 0.0 109.805 176.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.48 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 37.8 m 63.67 63.84 0.83 Allowed 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 113.056 -1.884 . . . . 0.0 111.543 175.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1635 ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' 1607 ' ' LYS . 39.3 m -138.09 118.6 13.86 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 121.213 0.53 . . . . 0.0 110.178 179.15 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 7.0 mp -102.1 134.91 44.58 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.611 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -106.74 116.63 32.25 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.223 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -113.2 141.68 46.67 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1639 ' ' SER . . . . . 0.543 ' O ' ' HA ' ' A' 1624 ' ' PRO . 37.4 p -120.71 127.67 52.24 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 120.936 0.398 . . . . 0.0 111.024 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 8.4 t-105 -119.07 147.61 43.94 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -118.65 113.32 21.02 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 118.243 0.474 . . . . 0.0 110.002 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1642 ' ' THR . . . . . 0.48 ' O ' ' HA ' ' A' 1614 ' ' CYS . 11.9 t -140.45 147.07 47.95 Favored Pre-proline 0 C--N 1.313 -0.996 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.024 -175.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.41 -4.32 14.56 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 123.338 2.692 . . . . 0.0 112.058 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 71.4 mt -78.01 -7.63 57.12 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.335 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -93.04 14.53 17.51 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 121.064 0.459 . . . . 0.0 111.889 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 63.5 m . . . . . 0 C--N 1.301 -1.524 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 174.066 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 67.8 m . . . . . 0 C--O 1.247 0.953 0 CA-C-O 122.762 1.268 . . . . 0.0 111.597 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' 1527 ' ' PHE . 14.1 pt20 -146.23 128.64 15.91 Favored 'General case' 0 N--CA 1.406 -2.671 0 CA-C-N 112.986 -1.916 . . . . 0.0 106.428 175.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 24.6 t -125.68 132.79 70.42 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 28.0 m -87.8 122.72 31.79 Favored 'General case' 0 N--CA 1.423 -1.802 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 46.2 t30 -95.66 105.73 22.63 Favored Pre-proline 0 C--N 1.307 -1.276 0 N-CA-C 108.839 -0.801 . . . . 0.0 108.839 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.99 -4.13 14.22 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.373 2.716 . . . . 0.0 113.274 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.2 m -68.9 -49.63 56.52 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-O 121.225 0.536 . . . . 0.0 109.714 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 15.0 p -119.96 -10.92 9.38 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -175.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 83.53 28.01 37.28 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.857 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 17.7 m80 -103.75 136.85 42.67 Favored 'General case' 0 C--N 1.311 -1.09 0 O-C-N 122.454 -0.439 . . . . 0.0 111.27 178.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 66.0 tp -100.05 105.52 17.18 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.174 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' 1517 ' ' GLN . 99.1 m-85 -84.6 106.76 16.41 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.6 p30 -117.9 144.25 45.61 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-O 121.501 0.667 . . . . 0.0 110.794 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 95.1 mt -120.94 21.86 11.24 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 174.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 15.0 m -68.85 -26.41 65.14 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.061 -1.427 . . . . 0.0 110.511 -175.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 5.3 p -72.9 -26.05 61.28 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.623 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 91.9 mt -93.83 -1.91 54.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.78 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 19.5 t -66.06 141.85 58.0 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.201 0.524 . . . . 0.0 110.902 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -170.63 134.99 3.32 Favored Glycine 0 N--CA 1.432 -1.616 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1535 ' ' ARG . . . . . 0.451 ' O ' ' HA ' ' A' 1556 ' ' ASN . 55.9 mtm180 -84.37 -20.39 32.03 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -86.5 -34.17 20.11 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1537 ' ' GLY . . . . . 0.51 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 66.74 -131.04 31.34 Favored Glycine 0 N--CA 1.43 -1.706 0 CA-C-N 113.957 -1.474 . . . . 0.0 112.705 176.323 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -139.94 136.4 33.79 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 32.7 m -88.0 107.93 18.97 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -87.35 114.58 24.08 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -117.3 118.69 32.96 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.771 -176.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 29.8 p90 . . . . . 0 C--N 1.294 -1.83 0 CA-C-O 118.895 -0.574 . . . . 0.0 110.933 -178.488 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.69 0 N-CA-C 114.369 0.508 . . . . 0.0 114.369 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 22.0 t -121.03 116.45 49.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 N-CA-C 105.91 -1.885 . . . . 0.0 105.91 169.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -91.29 108.38 19.84 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1550 ' ' MET . . . . . 0.51 ' O ' ' HA3' ' A' 1537 ' ' GLY . 23.1 ptp -112.18 126.95 55.76 Favored 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.137 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 30.4 t -89.43 143.62 26.68 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 2.8 mp -103.3 105.92 19.19 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.11 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 41.9 t 71.92 81.76 0.14 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.298 0.999 . . . . 0.0 111.19 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 129.82 -152.6 19.69 Favored Glycine 0 N--CA 1.434 -1.498 0 C-N-CA 120.096 -1.05 . . . . 0.0 112.256 177.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.44 157.63 17.22 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 123.408 0.683 . . . . 0.0 111.187 -179.156 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' A' 1535 ' ' ARG . 15.8 m120 -85.24 129.4 34.81 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 175.045 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.55 -15.61 61.29 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.3 -177.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -101.94 15.79 27.95 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.589 0.709 . . . . 0.0 110.478 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1559 ' ' CYS . . . . . 0.406 ' HB2' ' HB2' ' A' 1556 ' ' ASN . 99.4 m -130.37 165.0 37.27 Favored Pre-proline 0 C--N 1.294 -1.819 0 CA-C-N 115.267 -0.878 . . . . 0.0 108.835 177.178 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -49.91 131.73 30.51 Favored 'Trans proline' 0 C--O 1.249 1.042 0 C-N-CA 122.546 2.164 . . . . 0.0 111.327 173.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.1 99.73 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.224 0 C-N-CA 123.19 2.593 . . . . 0.0 111.419 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 141.03 -19.48 2.7 Favored Glycine 0 N--CA 1.43 -1.732 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.29 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 45.5 t -88.36 132.83 32.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -106.09 -7.61 35.23 Favored Glycine 0 CA--C 1.507 -0.457 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.706 -177.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -160.24 129.7 5.12 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 92.1 m -118.95 133.31 55.91 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.057 0.456 . . . . 0.0 111.196 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 76.3 t80 -107.49 128.97 54.98 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 89.65 177.14 45.52 Favored Glycine 0 N--CA 1.427 -1.965 0 C-N-CA 120.705 -0.759 . . . . 0.0 113.605 173.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -77.27 -24.08 51.08 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 123.289 0.636 . . . . 0.0 110.94 -176.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 26.4 m -82.89 -12.0 57.75 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-O 122.009 0.909 . . . . 0.0 109.932 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 67.63 56.81 0.57 Allowed 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.093 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 71.9 mt -72.35 131.41 34.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.044 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 16.6 p -68.4 110.41 4.11 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -176.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.461 HG23 ' HB3' ' A' 1606 ' ' TYR . 13.2 p -106.03 31.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 CA-C-O 123.211 1.481 . . . . 0.0 107.926 178.003 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 144.83 143.55 4.02 Favored Glycine 0 N--CA 1.426 -1.98 0 CA-C-N 113.834 -1.53 . . . . 0.0 112.912 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 76.1 mmtt -82.28 158.6 23.41 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -57.45 131.39 49.99 Favored 'General case' 0 C--N 1.31 -1.133 0 O-C-N 124.301 1.001 . . . . 0.0 109.632 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 58.1 t30 -146.38 144.2 29.58 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -176.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 55.0 mttp -126.76 15.05 7.51 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.445 0.641 . . . . 0.0 109.372 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -80.23 91.15 5.56 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.515 HD21 ' HB3' ' A' 1588 ' ' LEU . 1.9 tt -88.72 126.33 35.27 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 -178.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1582 ' ' ARG . . . . . 0.402 ' NE ' ' HA ' ' A' 1582 ' ' ARG . 3.7 mmp_? -116.17 135.49 53.87 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 54.5 p90 -106.59 101.01 10.5 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1584 ' ' VAL . . . . . 0.413 ' O ' HG22 ' A' 1587 ' ' VAL . 17.7 m -127.55 128.94 70.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.049 -176.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 32.3 t70 55.76 43.75 27.32 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 122.412 1.101 . . . . 0.0 110.444 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 26.0 mp0 61.33 17.25 8.12 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 114.104 -1.407 . . . . 0.0 114.76 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1587 ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' 1584 ' ' VAL . 15.6 m -121.29 150.86 24.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 174.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.515 ' HB3' HD21 ' A' 1581 ' ' LEU . 87.4 mt -97.93 129.3 44.85 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -122.77 132.83 54.4 Favored 'General case' 0 C--N 1.293 -1.868 0 C-N-CA 120.27 -0.572 . . . . 0.0 112.207 -176.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 66.5 mt -120.01 122.98 42.34 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 171.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1591 ' ' VAL . . . . . 0.409 HG23 HG22 ' A' 1609 ' ' VAL . 10.5 p -115.92 136.19 53.62 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -110.73 96.49 6.21 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -102.6 176.81 5.04 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.711 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 33.2 m-20 69.48 38.45 1.78 Allowed 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.525 1.13 . . . . 0.0 112.715 177.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -89.31 -143.64 10.01 Favored Glycine 0 C--O 1.249 1.059 0 N-CA-C 111.739 -0.544 . . . . 0.0 111.739 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1596 ' ' SER . . . . . 0.481 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 47.3 m -73.95 126.29 89.51 Favored Pre-proline 0 C--N 1.306 -1.317 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1597 ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' 1596 ' ' SER . 19.9 Cg_exo -67.05 153.6 77.24 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 123.004 2.469 . . . . 0.0 114.108 -177.124 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 66.7 m . . . . . 0 C--N 1.312 -1.04 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.896 -178.208 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.436 -1.149 0 CA-C-O 122.004 0.907 . . . . 0.0 112.957 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 30.5 t -177.41 123.78 0.13 Allowed 'General case' 0 N--CA 1.432 -1.335 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.266 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.461 ' HB3' HG23 ' A' 1574 ' ' VAL . 27.5 m-85 -66.76 120.18 13.08 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 165.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -140.42 147.03 39.08 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.284 0.564 . . . . 0.0 110.927 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 22.8 t -115.97 135.99 53.45 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1609 ' ' VAL . . . . . 0.409 HG22 HG23 ' A' 1591 ' ' VAL . 57.7 t -116.55 109.31 27.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 61.1 mt -97.89 112.23 29.48 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 16.2 m -105.2 114.67 28.99 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.23 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.464 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 79.0 m-85 -91.43 99.98 12.83 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1613 ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' 1641 ' ' HIS . 22.8 t -92.25 139.39 18.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1614 ' ' CYS . . . . . 0.597 ' HA ' ' O ' ' A' 1642 ' ' THR . 49.8 t -81.82 136.61 35.38 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.367 0.603 . . . . 0.0 112.016 -175.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -140.75 93.85 8.35 Favored Pre-proline 0 C--N 1.308 -1.212 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.658 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo . . . . . 0 CA--C 1.535 0.544 0 C-N-CA 122.131 1.888 . . . . 0.0 110.118 171.106 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 . . . . . 0 N--CA 1.429 -1.524 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' 1639 ' ' SER . 37.3 Cg_endo -67.47 121.73 8.87 Favored 'Trans proline' 0 C--O 1.249 1.075 0 C-N-CA 121.862 1.708 . . . . 0.0 111.401 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 73.2 mtm -129.16 147.62 51.02 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.268 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1626 ' ' LEU . . . . . 0.499 HD11 HD23 ' A' 1629 ' ' LEU . 1.5 tt -80.03 113.84 18.5 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.355 -174.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.7 mm -97.64 -43.82 12.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-O 120.833 0.349 . . . . 0.0 111.256 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 20.5 m -136.77 130.44 31.93 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.443 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.499 HD23 HD11 ' A' 1626 ' ' LEU . 0.9 OUTLIER -114.32 107.06 15.07 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 -179.706 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.4 t70 -105.94 104.49 14.21 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -75.53 -32.39 60.44 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.263 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.27 -40.99 97.1 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -173.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 32.0 p -110.23 11.63 23.52 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 120.958 0.409 . . . . 0.0 111.952 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 59.1 m 56.41 47.83 18.15 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.227 1.011 . . . . 0.0 112.061 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 36.6 m -120.05 123.07 42.51 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-O 121.317 0.58 . . . . 0.0 111.059 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.2 mp -105.51 115.65 30.61 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.247 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -94.19 115.24 27.48 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.403 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.94 136.52 51.15 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1639 ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' 1624 ' ' PRO . 38.1 t -109.97 140.5 43.91 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1640 ' ' TRP . . . . . 0.401 ' O ' ' HA ' ' A' 1612 ' ' PHE . 2.2 t90 -130.91 126.8 37.07 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 105.0 -2.222 . . . . 0.0 105.0 177.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1641 ' ' HIS . . . . . 0.433 ' HA ' ' O ' ' A' 1613 ' ' VAL . 44.1 m-70 -106.1 108.43 19.94 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 119.755 -0.778 . . . . 0.0 110.145 -178.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1642 ' ' THR . . . . . 0.597 ' O ' ' HA ' ' A' 1614 ' ' CYS . 5.5 t -135.68 139.59 31.33 Favored Pre-proline 0 C--N 1.304 -1.413 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.575 -177.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.458 ' HA ' ' SG ' ' A' 1614 ' ' CYS . 66.7 Cg_endo -72.82 -5.85 17.94 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 122.859 2.373 . . . . 0.0 111.77 177.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 97.1 mt -72.41 -9.26 58.3 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.132 0.573 . . . . 0.0 111.344 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1645 ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' 1614 ' ' CYS . . . -84.46 -12.05 55.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.133 0.492 . . . . 0.0 109.977 177.317 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 68.6 m . . . . . 0 CA--C 1.487 -1.455 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.865 176.93 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 31.9 m . . . . . 0 C--O 1.239 0.512 0 CA-C-O 120.695 0.283 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.494 ' HB2' HD11 ' A' 1526 ' ' LEU . 10.2 pt20 -155.4 139.48 16.45 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -174.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 89.9 t -130.41 124.89 58.37 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.077 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 6.6 m -100.28 127.06 46.66 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 120.078 -0.649 . . . . 0.0 109.603 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -101.18 105.75 41.03 Favored Pre-proline 0 C--N 1.299 -1.609 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 175.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -72.8 -10.63 25.14 Favored 'Trans proline' 0 C--O 1.241 0.667 0 C-N-CA 122.728 2.286 . . . . 0.0 112.748 -175.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 6.8 m -70.34 -51.76 27.65 Favored 'General case' 0 N--CA 1.427 -1.599 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.726 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 23.8 p -95.79 -25.89 15.88 Favored 'General case' 0 C--O 1.251 1.143 0 CA-C-O 121.224 0.535 . . . . 0.0 111.872 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 90.07 16.71 55.5 Favored Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -177.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -96.67 126.67 42.0 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -175.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1526 ' ' LEU . . . . . 0.494 HD11 ' HB2' ' A' 1517 ' ' GLN . 35.5 tp -93.4 109.72 21.28 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 177.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -80.66 105.93 12.27 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.92 136.29 53.05 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 176.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 80.1 mt -110.57 13.72 22.56 Favored 'General case' 0 C--N 1.267 -3.002 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 174.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 29.2 m -66.42 -32.06 73.2 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.147 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 38.5 t -59.92 -36.38 76.89 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.53 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 93.2 mt -101.47 0.07 36.1 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.051 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 24.1 t -78.65 147.71 33.48 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-O 121.34 0.591 . . . . 0.0 110.414 -174.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -174.89 142.91 6.53 Favored Glycine 1 N--CA 1.395 -4.085 0 N-CA-C 108.936 -1.666 . . . . 0.0 108.936 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1535 ' ' ARG . . . . . 0.562 ' O ' ' HA ' ' A' 1556 ' ' ASN . 91.8 mtt180 -78.69 -26.57 44.96 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.499 0.666 . . . . 0.0 109.971 -177.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -81.16 -25.73 36.61 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 173.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1537 ' ' GLY . . . . . 0.51 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 69.76 -128.86 21.13 Favored Glycine 0 N--CA 1.424 -2.148 0 CA-C-N 114.011 -1.45 . . . . 0.0 112.6 175.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 57.9 t80 -138.07 138.62 38.95 Favored 'General case' 0 C--N 1.284 -2.275 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 86.7 m -104.12 107.27 18.09 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.455 0.645 . . . . 0.0 109.415 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -96.89 125.85 41.62 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -105.69 129.49 53.9 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 82.0 m-85 . . . . . 0 C--N 1.294 -1.809 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.515 179.476 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.41 -3.072 0 CA-C-O 121.63 0.572 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 68.9 t -103.03 108.31 24.05 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.237 0 N-CA-C 104.639 -2.356 . . . . 0.0 104.639 170.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -89.26 103.69 16.3 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 -176.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1550 ' ' MET . . . . . 0.51 ' O ' ' HA3' ' A' 1537 ' ' GLY . 23.9 ptp -114.89 131.36 56.89 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1551 ' ' SER . . . . . 0.402 ' HB2' ' HB2' ' A' 1556 ' ' ASN . 23.2 t -88.96 153.02 21.36 Favored 'General case' 0 N--CA 1.421 -1.902 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 175.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 46.7 mm -112.31 90.71 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.282 -2.349 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 53.8 t 68.41 76.79 0.25 Allowed 'General case' 0 C--O 1.244 0.782 0 O-C-N 124.523 1.139 . . . . 0.0 109.824 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 154.15 -167.15 32.26 Favored Glycine 0 N--CA 1.429 -1.801 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.744 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.46 151.87 20.61 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.562 ' HA ' ' O ' ' A' 1535 ' ' ARG . 19.2 t-20 -95.33 120.16 35.08 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.413 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.14 -6.27 46.7 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -94.54 4.36 53.95 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 76.2 m -135.84 172.42 7.15 Favored Pre-proline 0 N--CA 1.427 -1.624 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -60.25 137.34 74.33 Favored 'Trans proline' 0 C--O 1.25 1.104 0 C-N-CA 121.924 1.749 . . . . 0.0 111.381 173.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.17 103.21 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 123.13 2.554 . . . . 0.0 111.507 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 147.58 -29.55 1.45 Allowed Glycine 0 N--CA 1.434 -1.474 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 -176.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 59.6 t -88.18 138.85 18.34 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -105.23 -24.13 7.32 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.685 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -150.46 135.31 17.54 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.87 0.335 . . . . 0.0 110.92 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 80.8 m -126.43 133.81 51.15 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 79.1 t80 -101.56 114.67 28.91 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 94.09 161.36 35.1 Favored Glycine 0 N--CA 1.423 -2.179 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.953 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -67.44 -19.22 65.34 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.43 0.633 . . . . 0.0 109.836 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 20.4 m -69.0 -13.5 62.49 Favored 'General case' 0 CA--C 1.561 1.374 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.637 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 64.47 43.76 4.4 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 124.828 1.251 . . . . 0.0 112.437 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 70.8 mt -74.36 114.57 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 24.7 p -63.12 117.12 6.07 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.007 0.432 . . . . 0.0 111.772 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.559 HG23 ' HB3' ' A' 1606 ' ' TYR . 15.0 p -112.76 18.39 7.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 CA-C-O 122.447 1.118 . . . . 0.0 108.642 178.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 168.42 141.49 3.21 Favored Glycine 0 N--CA 1.43 -1.755 0 C-N-CA 120.035 -1.079 . . . . 0.0 113.416 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.414 ' HB2' ' HB3' ' A' 1594 ' ' ASP . 15.9 tptm -91.2 150.7 21.25 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 177.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -55.97 115.49 2.43 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 124.263 1.025 . . . . 0.0 113.026 -175.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -128.11 142.43 51.2 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -178.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 63.4 mttp -126.09 7.53 7.25 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.645 0.736 . . . . 0.0 110.524 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -86.39 91.37 8.49 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.835 0.826 . . . . 0.0 109.861 -177.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.514 HD21 ' HB3' ' A' 1588 ' ' LEU . 1.7 tt -75.47 129.0 36.56 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -118.06 134.17 55.23 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-O 120.818 0.342 . . . . 0.0 111.034 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 40.1 t80 -101.55 99.84 10.19 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 16.7 m -134.86 121.83 35.74 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.254 -173.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 26.7 t70 58.69 48.17 11.96 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 122.813 1.292 . . . . 0.0 110.428 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 28.1 tp60 63.06 10.74 4.68 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 113.287 -1.779 . . . . 0.0 113.877 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 7.3 p -123.5 139.9 48.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.867 -0.521 . . . . 0.0 109.924 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.514 ' HB3' HD21 ' A' 1581 ' ' LEU . 84.6 mt -84.22 121.41 27.44 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 175.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -123.05 130.94 53.43 Favored 'General case' 0 C--N 1.28 -2.419 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.1 -172.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 69.5 mt -115.83 122.8 46.46 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 172.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 59.3 t -118.87 113.63 42.24 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 CA-C-O 121.402 0.62 . . . . 0.0 109.75 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -95.27 98.1 10.35 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -85.72 170.02 12.87 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 177.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1594 ' ' ASP . . . . . 0.414 ' HB3' ' HB2' ' A' 1576 ' ' LYS . 27.1 t70 65.6 87.75 0.11 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.822 1.249 . . . . 0.0 112.469 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -128.44 -153.64 8.11 Favored Glycine 0 N--CA 1.424 -2.138 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 177.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 42.3 m -70.01 141.33 89.22 Favored Pre-proline 0 C--N 1.296 -1.733 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.8 138.55 45.14 Favored 'Trans proline' 0 C--O 1.243 0.733 0 C-N-CA 122.14 1.893 . . . . 0.0 110.372 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 56.0 m . . . . . 0 C--N 1.302 -1.483 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.062 -179.45 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 N--CA 1.436 -1.158 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 17.0 m -133.94 150.53 51.3 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.559 ' HB3' HG23 ' A' 1574 ' ' VAL . 79.6 m-85 -64.39 122.55 16.99 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.844 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -119.55 151.02 39.32 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.143 -177.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 13.3 p -129.35 136.1 49.57 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.107 0.48 . . . . 0.0 110.985 176.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 63.3 t -122.74 113.65 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.732 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 56.0 mt -99.8 114.11 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.722 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 23.1 t -102.91 115.44 30.61 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.147 -176.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.498 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 91.3 m-85 -98.35 99.82 11.04 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.4 t -95.17 140.08 17.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.748 -173.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 5.8 t -60.73 112.79 2.16 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.754 -1.112 . . . . 0.0 111.61 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -138.22 88.47 15.08 Favored Pre-proline 0 C--N 1.302 -1.491 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 172.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1616 ' ' PRO . . . . . 0.554 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 50.1 Cg_exo . . . . . 0 N--CA 1.488 1.161 0 C-N-CA 123.695 2.93 . . . . 0.0 111.981 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 . . . . . 0 N--CA 1.434 -1.267 0 N-CA-C 104.611 -2.366 . . . . 0.0 104.611 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -68.23 121.74 8.74 Favored 'Trans proline' 0 C--O 1.257 1.436 0 C-N-CA 121.223 1.282 . . . . 0.0 112.373 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 23.0 ttt -112.81 133.21 54.92 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1626 ' ' LEU . . . . . 0.454 ' HG ' ' CE1' ' A' 1638 ' ' PHE . 1.1 tt -78.97 111.41 15.14 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 46.9 mm -90.22 -44.41 14.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 CA-C-O 121.055 0.455 . . . . 0.0 111.425 -174.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.8 m -146.04 131.36 18.55 Favored 'General case' 0 C--N 1.296 -1.729 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.065 -176.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.65 101.09 11.9 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 105.207 -2.146 . . . . 0.0 105.207 175.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -99.16 103.23 15.11 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.219 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -84.49 -19.07 33.89 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-O 121.002 0.429 . . . . 0.0 110.341 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -62.91 -50.44 70.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.398 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 21.9 p -113.29 8.73 18.16 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 121.65 0.738 . . . . 0.0 111.243 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.411 ' HB3' ' CD1' ' A' 1606 ' ' TYR . 65.8 m 59.77 63.97 1.39 Allowed 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 113.983 -1.462 . . . . 0.0 111.625 177.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 27.4 m -133.36 126.47 31.39 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.657 0.742 . . . . 0.0 111.628 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.47 ' HB3' ' CE2' ' A' 1638 ' ' PHE . 4.2 mm? -94.71 118.05 31.11 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.663 177.166 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -102.69 113.78 27.47 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.349 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1638 ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' 1636 ' ' LEU . 88.5 m-85 -117.73 141.14 48.74 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 36.0 t -122.89 136.65 54.94 Favored 'General case' 0 C--N 1.289 -2.031 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -119.89 126.94 52.16 Favored 'General case' 0 N--CA 1.418 -2.042 0 N-CA-C 104.932 -2.248 . . . . 0.0 104.932 177.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 70.5 m80 -104.31 108.74 20.28 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 7.3 t -140.53 143.15 31.62 Favored Pre-proline 0 C--N 1.294 -1.808 0 CA-C-O 121.319 0.58 . . . . 0.0 110.134 -176.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.554 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 65.2 Cg_endo -72.49 -14.06 27.7 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 123.225 2.617 . . . . 0.0 111.261 176.368 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 54.0 tp -74.52 -22.74 58.89 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.108 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -95.98 27.66 3.5 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.814 0.816 . . . . 0.0 109.609 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 19.0 t . . . . . 0 N--CA 1.417 -2.101 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -177.331 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 58.8 m . . . . . 0 CA--C 1.507 -0.703 0 CA-C-O 121.395 0.617 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.501 ' HA ' ' O ' ' A' 1527 ' ' PHE . 23.1 pt20 -141.9 142.4 33.07 Favored 'General case' 0 N--CA 1.426 -1.637 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.278 -175.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 9.8 p -150.47 140.63 16.08 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.426 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 32.5 m -99.88 118.98 37.47 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 121.061 0.458 . . . . 0.0 109.926 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -107.84 107.86 60.78 Favored Pre-proline 0 C--N 1.306 -1.296 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.423 176.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.65 -26.16 79.87 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.366 2.711 . . . . 0.0 113.696 -177.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 23.2 t -68.05 -27.8 66.83 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 120.824 0.345 . . . . 0.0 110.704 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 1.8 p -100.74 -33.45 10.25 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-O 121.341 0.591 . . . . 0.0 110.96 176.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 85.44 14.55 68.18 Favored Glycine 0 CA--C 1.502 -0.749 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.57 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -118.04 136.68 53.4 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.4 tt -87.21 105.3 17.12 Favored 'General case' 0 N--CA 1.417 -2.087 0 N-CA-C 104.443 -2.428 . . . . 0.0 104.443 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.501 ' O ' ' HA ' ' A' 1517 ' ' GLN . 97.0 m-85 -82.22 118.28 22.98 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -177.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -137.22 144.64 42.91 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.1 mt -123.42 23.04 9.11 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.427 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 8.6 t -74.46 -20.66 59.93 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.277 -174.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 50.3 m -79.23 -7.65 58.42 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 121.573 -0.705 . . . . 0.0 110.829 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 82.7 mt -105.59 8.95 33.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.765 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1533 ' ' SER . . . . . 0.589 ' HA ' ' O ' ' A' 1552 ' ' ILE . 46.7 m -65.72 103.54 0.9 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.516 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -110.35 119.65 5.39 Favored Glycine 0 N--CA 1.44 -1.096 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -75.44 -29.35 59.65 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 117.433 0.617 . . . . 0.0 111.347 -175.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1536 ' ' ALA . . . . . 0.469 ' HA ' ' HG2' ' A' 1557 ' ' GLU . . . -86.81 -12.11 48.94 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 121.802 0.81 . . . . 0.0 109.06 176.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 68.93 -164.45 49.63 Favored Glycine 0 N--CA 1.421 -2.35 0 CA-C-N 113.9 -1.5 . . . . 0.0 112.761 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.59 138.48 54.32 Favored 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 23.2 m -97.96 107.83 20.4 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 120.166 -0.613 . . . . 0.0 109.467 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -84.38 115.36 22.48 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -66.29 135.17 54.04 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 121.03 0.443 . . . . 0.0 111.176 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 75.2 t80 . . . . . 0 C--N 1.3 -1.573 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.416 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -2.414 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 48.6 t -104.94 117.64 50.95 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -89.03 103.79 16.38 Favored 'General case' 0 C--N 1.289 -2.044 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -177.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 18.1 ptm -119.59 116.75 26.68 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.426 -173.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 47.8 t -89.98 140.03 30.03 Favored 'General case' 0 N--CA 1.433 -1.275 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1552 ' ' ILE . . . . . 0.589 ' O ' ' HA ' ' A' 1533 ' ' SER . 67.4 mt -103.94 115.58 46.15 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.538 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 11.8 t 64.86 45.62 3.2 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 124.341 1.026 . . . . 0.0 111.569 176.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 173.1 -179.05 44.77 Favored Glycine 0 N--CA 1.436 -1.344 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -88.46 149.5 23.64 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -90.3 128.79 36.52 Favored 'General case' 0 C--N 1.292 -1.891 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1557 ' ' GLU . . . . . 0.469 ' HG2' ' HA ' ' A' 1536 ' ' ALA . 9.2 pt-20 -71.59 -12.62 61.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.004 0.43 . . . . 0.0 111.705 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -87.64 4.6 43.27 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 175.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 74.1 m -131.85 162.96 53.27 Favored Pre-proline 0 N--CA 1.434 -1.247 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.739 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -61.13 142.68 97.63 Favored 'Trans proline' 0 C--O 1.248 0.986 0 C-N-CA 122.456 2.104 . . . . 0.0 110.35 173.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -55.83 100.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 123.733 2.955 . . . . 0.0 113.011 -176.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 146.73 -38.21 1.15 Allowed Glycine 0 N--CA 1.428 -1.87 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 38.5 t -82.6 132.85 30.42 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -99.67 -30.98 6.23 Favored Glycine 0 N--CA 1.437 -1.252 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.804 -178.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -135.73 132.24 36.61 Favored 'General case' 0 N--CA 1.436 -1.166 0 O-C-N 122.45 -0.441 . . . . 0.0 110.938 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 73.5 m -127.0 134.46 50.34 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.917 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 32.4 t80 -91.45 127.37 36.87 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 78.35 -172.32 55.21 Favored Glycine 0 N--CA 1.433 -1.501 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.806 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -90.6 -18.19 25.61 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 4.1 m -72.52 -1.75 17.1 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-O 121.752 0.787 . . . . 0.0 111.845 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 59.71 48.46 9.28 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.781 1.232 . . . . 0.0 111.019 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 67.1 mt -78.87 114.9 20.23 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 22.3 p -63.39 116.59 5.67 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-O 121.228 0.537 . . . . 0.0 111.835 -175.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.462 HG23 ' HB3' ' A' 1606 ' ' TYR . 12.7 p -112.84 11.77 8.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 CA-C-O 122.929 1.347 . . . . 0.0 108.362 177.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1575 ' ' GLY . . . . . 0.514 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 166.3 129.97 1.11 Allowed Glycine 0 N--CA 1.418 -2.517 0 C-N-CA 119.669 -1.253 . . . . 0.0 113.846 177.091 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.486 ' HB2' ' HB3' ' A' 1594 ' ' ASP . 23.5 tptm -77.41 151.68 34.66 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 174.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -65.23 113.14 3.8 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 122.355 0.262 . . . . 0.0 110.654 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -119.33 160.1 22.9 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 122.717 0.407 . . . . 0.0 110.068 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 24.2 pttm -128.97 8.83 5.71 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.177 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -77.37 91.43 3.85 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.978 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' 1588 ' ' LEU . 55.8 tp -87.12 126.85 35.04 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.824 -178.095 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -112.74 134.18 54.39 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.458 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1583 ' ' TYR . . . . . 0.44 ' CZ ' ' HA ' ' A' 1586 ' ' GLN . 86.6 t80 -108.33 103.63 12.84 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 171.176 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 2.7 p -142.11 127.74 17.89 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.301 -173.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 63.73 43.26 5.68 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 122.745 1.26 . . . . 0.0 110.442 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1586 ' ' GLN . . . . . 0.44 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 54.8 mt-30 62.63 15.97 8.45 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 114.067 -1.424 . . . . 0.0 113.71 177.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 34.5 m -132.3 157.3 43.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.517 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 81.4 mt -95.71 122.51 38.55 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -113.65 124.2 51.75 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.055 -175.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 53.7 mt -114.89 123.14 48.41 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 172.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 47.3 t -114.39 112.12 38.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1592 ' ' TYR . . . . . 0.514 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 27.4 m-85 -89.39 98.99 12.08 Favored 'General case' 0 N--CA 1.42 -1.969 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 65.9 mttm -88.74 174.81 7.79 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.39 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1594 ' ' ASP . . . . . 0.486 ' HB3' ' HB2' ' A' 1576 ' ' LYS . 15.4 t70 65.33 93.37 0.07 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.389 1.075 . . . . 0.0 110.649 -175.034 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -141.32 -173.84 13.94 Favored Glycine 0 N--CA 1.429 -1.8 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 49.1 m -67.58 131.72 92.92 Favored Pre-proline 0 C--N 1.305 -1.344 0 C-N-CA 122.784 0.434 . . . . 0.0 110.414 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.06 130.06 32.87 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.712 2.275 . . . . 0.0 110.754 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 68.8 m . . . . . 0 C--N 1.302 -1.482 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.279 -178.458 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 80.8 mt . . . . . 0 N--CA 1.439 -0.977 0 CA-C-O 120.758 0.314 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 50.1 m -135.78 140.45 44.3 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.489 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 95.4 m-85 -55.54 119.4 5.6 Favored 'General case' 0 CA--C 1.517 -0.323 0 O-C-N 124.267 0.98 . . . . 0.0 111.544 -176.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -128.27 151.73 48.95 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.072 -175.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 31.3 t -117.8 131.32 56.59 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.154 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 87.6 t -118.97 111.98 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 53.4 mt -102.96 130.7 52.66 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 15.9 m -122.06 107.68 12.49 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 121.146 0.498 . . . . 0.0 110.525 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.517 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 80.3 m-85 -85.7 117.13 24.39 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 38.6 t -104.07 139.78 24.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 11.8 t -64.42 126.94 29.42 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 123.726 0.81 . . . . 0.0 112.27 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -144.09 100.11 4.97 Favored Pre-proline 0 N--CA 1.433 -1.276 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo . . . . . 0 CA--C 1.53 0.319 0 C-N-CA 122.533 2.155 . . . . 0.0 110.676 177.296 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 . . . . . 0 N--CA 1.44 -0.971 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -75.8 122.31 6.76 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 121.88 1.72 . . . . 0.0 110.941 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 20.2 ptp -122.82 130.19 52.59 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.725 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 2.1 tt -83.94 113.89 21.3 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.3 mm -99.97 -36.83 5.42 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-O 120.904 0.383 . . . . 0.0 111.853 -174.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 19.5 m -144.29 135.05 25.0 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 121.986 -0.446 . . . . 0.0 110.539 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.426 HD23 ' HG ' ' A' 1636 ' ' LEU . 3.0 tm? -118.53 102.89 9.23 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.28 90.58 3.36 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -75.43 -22.12 57.61 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.979 -176.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -65.19 -35.55 81.41 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.014 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 36.6 p -105.71 11.93 31.57 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.39 0.614 . . . . 0.0 110.251 174.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.489 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 77.3 m 55.58 39.41 30.98 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.16 178.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 39.8 m -119.43 125.25 48.51 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-O 121.073 0.463 . . . . 0.0 111.313 -177.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.426 ' HG ' HD23 ' A' 1629 ' ' LEU . 6.0 mp -105.48 124.58 49.8 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -99.1 110.07 22.7 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-O 120.929 0.395 . . . . 0.0 110.869 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -108.97 144.38 37.01 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 22.7 t -127.69 156.35 42.52 Favored 'General case' 0 N--CA 1.405 -2.717 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -143.06 143.35 31.84 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -107.99 111.65 23.83 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.2 t -138.28 143.52 39.28 Favored Pre-proline 0 C--N 1.308 -1.197 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.461 ' HA ' ' SG ' ' A' 1646 ' ' CYS . 67.5 Cg_endo -75.3 -4.85 15.92 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.007 2.471 . . . . 0.0 112.724 178.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 95.6 mt -80.98 -16.21 54.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.336 0.589 . . . . 0.0 110.689 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -94.24 23.04 5.36 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.09 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1646 ' ' CYS . . . . . 0.461 ' SG ' ' HA ' ' A' 1643 ' ' PRO . 77.5 m . . . . . 0 C--N 1.299 -1.596 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.829 -176.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1516 ' ' CYS . . . . . 0.537 ' SG ' ' HB2' ' A' 1579 ' ' LYS . 87.0 m . . . . . 0 C--O 1.25 1.09 0 CA-C-O 122.19 0.995 . . . . 0.0 111.476 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' A' 1527 ' ' PHE . 28.2 pt20 -147.7 135.91 21.42 Favored 'General case' 0 N--CA 1.417 -2.115 0 CA-C-N 113.916 -1.493 . . . . 0.0 108.634 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 40.3 t -125.08 137.27 58.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 9.0 m -107.22 133.58 51.59 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 44.1 p30 -97.11 126.75 41.07 Favored Pre-proline 0 C--O 1.213 -0.82 0 C-N-CA 119.557 -0.857 . . . . 0.0 109.892 174.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.56 -12.52 24.76 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 122.158 1.906 . . . . 0.0 113.194 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 20.2 t -71.35 -65.81 0.7 Allowed 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.34 -5.22 40.5 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 72.46 31.58 63.08 Favored Glycine 0 CA--C 1.5 -0.884 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.178 174.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 29.8 m170 -107.05 149.78 27.22 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.061 0.458 . . . . 0.0 112.109 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 65.9 tp -107.39 126.21 52.19 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.377 -175.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.435 ' O ' ' HA ' ' A' 1517 ' ' GLN . 86.6 m-85 -108.69 115.3 29.83 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -128.89 154.57 46.38 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.44 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.5 mt -123.21 24.91 8.64 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.609 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 14.9 m -66.71 -27.75 67.89 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.651 -173.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 23.9 m -81.8 -7.6 59.61 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.02 0.438 . . . . 0.0 110.998 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 87.8 mt -106.82 0.16 23.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.409 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1533 ' ' SER . . . . . 0.513 ' HA ' ' O ' ' A' 1552 ' ' ILE . 26.0 t -69.06 144.39 54.0 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.365 -177.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -167.25 146.94 11.19 Favored Glycine 0 N--CA 1.434 -1.472 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 59.0 mtp85 -84.08 -39.37 19.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.918 0.422 . . . . 0.0 111.415 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -84.04 -32.92 24.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.766 0.793 . . . . 0.0 108.984 175.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1537 ' ' GLY . . . . . 0.442 ' HA3' ' HA ' ' A' 1551 ' ' SER . . . 72.84 -138.44 25.76 Favored Glycine 0 N--CA 1.428 -1.871 0 CA-C-N 114.082 -1.417 . . . . 0.0 113.095 174.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 84.5 t80 -120.02 146.32 45.99 Favored 'General case' 0 C--N 1.288 -2.082 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 51.1 m -116.6 108.54 16.09 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-O 121.221 0.534 . . . . 0.0 110.071 177.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -96.1 106.65 18.86 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1541 ' ' ALA . . . . . 0.499 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -90.89 110.78 22.01 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.047 -176.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1542 ' ' TYR . . . . . 0.462 ' OH ' ' HB2' ' A' 1626 ' ' LEU . 98.3 m-85 . . . . . 0 C--N 1.299 -1.62 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 176.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1547 ' ' GLY . . . . . 0.499 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . . . . . . 0 N--CA 1.426 -2.002 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 17.7 t -88.28 111.93 23.06 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -89.57 104.05 16.64 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 15.1 ptm -119.93 113.79 21.09 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-O 121.422 0.63 . . . . 0.0 110.641 -173.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1551 ' ' SER . . . . . 0.442 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 24.5 m -88.49 152.29 21.97 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1552 ' ' ILE . . . . . 0.513 ' O ' ' HA ' ' A' 1533 ' ' SER . 44.2 mm -111.83 104.57 17.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 -177.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 46.0 t 63.48 68.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.125 0.891 . . . . 0.0 110.178 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 165.58 -170.53 40.47 Favored Glycine 0 N--CA 1.435 -1.394 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.85 145.79 28.12 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.102 0.477 . . . . 0.0 110.114 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -85.55 110.81 19.48 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.422 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -79.72 3.25 19.87 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.307 -0.86 . . . . 0.0 113.29 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -91.22 -6.48 53.32 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 177.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1559 ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' 1571 ' ' ARG . 83.2 m -130.23 179.25 1.38 Allowed Pre-proline 0 C--N 1.294 -1.809 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 178.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -57.19 119.88 7.43 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 121.412 1.408 . . . . 0.0 110.695 174.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -51.21 107.07 0.15 Allowed 'Trans proline' 0 C--N 1.366 1.457 0 C-N-CA 123.212 2.608 . . . . 0.0 111.55 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 152.71 -32.0 0.83 Allowed Glycine 0 N--CA 1.431 -1.687 0 N-CA-C 107.967 -2.053 . . . . 0.0 107.967 -176.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 54.7 t -78.04 143.58 12.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 106.452 -1.684 . . . . 0.0 106.452 172.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -107.32 -20.88 8.32 Favored Glycine 0 C--N 1.316 -0.553 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.843 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -151.99 139.03 19.11 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 69.9 m -127.47 133.81 49.87 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.658 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 72.5 t80 -103.45 118.18 36.16 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.661 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 89.32 177.27 45.92 Favored Glycine 0 N--CA 1.437 -1.259 0 CA-C-N 115.808 -0.633 . . . . 0.0 113.612 172.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -72.78 -24.52 60.95 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 123.209 0.604 . . . . 0.0 110.11 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 24.9 m -72.96 -14.58 61.48 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-O 121.924 0.869 . . . . 0.0 109.572 174.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1571 ' ' ARG . . . . . 0.525 ' HB3' ' SG ' ' A' 1559 ' ' CYS . 99.2 mtt180 57.26 47.58 16.63 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 126.044 1.738 . . . . 0.0 112.103 176.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.84 126.15 23.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.203 -1.362 . . . . 0.0 109.209 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 37.4 p -61.92 111.63 1.98 Allowed 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 121.298 0.571 . . . . 0.0 111.287 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.49 HG23 ' HB3' ' A' 1606 ' ' TYR . 12.8 p -109.83 30.41 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-O 123.262 1.506 . . . . 0.0 108.384 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1575 ' ' GLY . . . . . 0.539 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 148.29 138.64 3.06 Favored Glycine 0 N--CA 1.413 -2.87 0 CA-C-N 114.037 -1.438 . . . . 0.0 112.926 176.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 49.3 tptt -78.44 159.02 28.51 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 175.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -62.54 86.32 0.02 OUTLIER 'General case' 0 C--O 1.248 0.981 0 CA-C-O 121.409 0.623 . . . . 0.0 111.126 177.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -102.23 135.21 44.23 Favored 'General case' 0 CA--C 1.493 -1.228 0 C-N-CA 124.419 1.088 . . . . 0.0 109.125 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1579 ' ' LYS . . . . . 0.537 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 0.0 OUTLIER -138.19 38.6 2.31 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-O 122.435 1.112 . . . . 0.0 110.388 -179.052 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -97.21 92.08 5.84 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.542 HD21 ' HB3' ' A' 1588 ' ' LEU . 2.6 tt -76.66 123.45 26.15 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -176.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -102.93 129.96 49.83 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1583 ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' 1586 ' ' GLN . 80.6 t80 -98.47 100.56 11.82 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 176.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 19.4 m -119.89 106.1 18.41 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.967 -174.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 35.7 t70 56.11 49.55 15.35 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 122.11 0.957 . . . . 0.0 110.137 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1586 ' ' GLN . . . . . 0.561 ' HA ' ' CE1' ' A' 1583 ' ' TYR . 24.8 tt0 60.94 26.75 16.66 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-N 114.437 -1.256 . . . . 0.0 111.567 -179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 97.3 t -119.45 132.26 69.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.571 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 96.4 mt -89.69 113.5 25.0 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -110.01 131.0 55.45 Favored 'General case' 0 C--N 1.288 -2.081 0 CA-C-O 120.833 0.349 . . . . 0.0 111.529 -177.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 70.0 mt -114.62 123.28 48.92 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 171.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 6.4 p -120.09 111.05 30.88 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-O 121.907 0.861 . . . . 0.0 110.823 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1592 ' ' TYR . . . . . 0.539 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 97.7 m-85 -89.95 100.46 13.27 Favored 'General case' 0 N--CA 1.422 -1.83 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.012 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -95.94 173.1 7.61 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.217 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 18.4 t70 62.51 87.46 0.1 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.065 1.346 . . . . 0.0 112.09 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -127.57 -156.86 9.23 Favored Glycine 0 N--CA 1.431 -1.635 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 44.3 m -68.63 131.31 91.44 Favored Pre-proline 0 C--N 1.309 -1.163 0 CA-C-N 117.302 0.551 . . . . 0.0 110.411 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -63.78 114.57 2.64 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.866 2.377 . . . . 0.0 110.961 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 55.7 m . . . . . 0 C--N 1.299 -1.623 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.343 -179.788 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.432 -1.346 0 CA-C-O 122.055 0.931 . . . . 0.0 112.659 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 33.7 p 168.36 119.74 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 113.719 -1.582 . . . . 0.0 108.687 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.49 ' HB3' HG23 ' A' 1574 ' ' VAL . 42.4 m-85 -70.3 121.94 18.61 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.981 172.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.57 157.7 36.47 Favored 'General case' 0 C--O 1.248 1.011 0 C-N-CA 123.242 0.617 . . . . 0.0 111.11 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 23.1 t -134.67 128.53 33.23 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.182 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 57.9 t -116.84 109.91 29.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 48.2 mt -101.69 119.51 50.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 17.7 t -108.05 102.8 11.93 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.571 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 93.9 m-85 -89.69 101.51 14.2 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 58.5 t -92.59 137.44 22.25 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.702 -176.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 11.0 t -67.63 107.16 2.43 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 124.052 0.845 . . . . 0.0 111.242 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1615 ' ' ARG . . . . . 0.549 ' NE ' ' HA ' ' A' 1615 ' ' ARG . 4.4 mmp_? -136.43 100.99 10.12 Favored Pre-proline 0 C--N 1.312 -1.055 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.56 175.289 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo . . . . . 0 CA--C 1.541 0.873 0 C-N-CA 122.832 2.354 . . . . 0.0 111.372 176.937 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.422 ' HB3' ' CE3' ' A' 1640 ' ' TRP . 87.9 Cg_endo -82.79 161.09 16.3 Favored 'Trans proline' 0 C--O 1.248 1.006 0 C-N-CA 122.776 2.317 . . . . 0.0 111.527 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -140.45 143.93 35.83 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-O 121.236 0.541 . . . . 0.0 111.122 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1626 ' ' LEU . . . . . 0.462 ' HB2' ' OH ' ' A' 1542 ' ' TYR . 2.1 tt -80.7 103.25 10.42 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.8 mm -79.59 -48.79 20.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.225 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 33.4 t -137.47 129.37 28.88 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 121.249 0.547 . . . . 0.0 110.124 -176.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.422 HD23 HD11 ' A' 1626 ' ' LEU . 1.0 OUTLIER -107.93 99.65 9.08 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 -179.75 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -101.75 98.16 8.46 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.541 177.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 26.6 tptp -85.06 -4.89 59.32 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.518 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -74.17 -51.2 16.25 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.659 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 13.1 p -112.94 14.99 19.82 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 121.498 0.666 . . . . 0.0 110.912 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.46 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 60.9 m 57.13 54.88 6.43 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 114.226 -1.352 . . . . 0.0 112.263 176.312 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 27.8 m -125.82 110.79 14.1 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -95.92 126.04 40.9 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.92 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -101.97 114.19 28.08 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.613 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -115.79 130.13 56.72 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 13.2 t -113.02 142.54 45.6 Favored 'General case' 0 N--CA 1.415 -2.195 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 177.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1640 ' ' TRP . . . . . 0.422 ' CE3' ' HB3' ' A' 1624 ' ' PRO . 2.0 t90 -129.25 126.41 39.02 Favored 'General case' 0 N--CA 1.421 -1.903 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 47.2 m80 -97.56 101.65 13.22 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 7.9 t -123.66 142.59 39.55 Favored Pre-proline 0 C--N 1.295 -1.765 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.423 -174.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -79.43 -3.74 13.19 Favored 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 122.633 2.222 . . . . 0.0 110.947 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 91.1 mt -84.39 -7.49 59.29 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 121.462 0.649 . . . . 0.0 110.361 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -95.2 7.36 46.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.887 0.851 . . . . 0.0 108.833 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 83.2 m . . . . . 0 N--CA 1.429 -1.518 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.33 -179.278 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1516 ' ' CYS . . . . . 0.637 ' SG ' ' HB2' ' A' 1529 ' ' LEU . 10.7 t . . . . . 0 N--CA 1.448 -0.555 0 CA-C-O 122.049 0.928 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -152.02 130.06 11.84 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.06 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 65.8 t -119.6 136.66 56.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 28.0 m -101.74 125.04 48.33 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 43.5 t30 -98.44 113.21 63.9 Favored Pre-proline 0 C--N 1.315 -0.895 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.68 -16.02 53.13 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.083 2.522 . . . . 0.0 113.954 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.3 m -66.64 -40.86 88.89 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.697 0.284 . . . . 0.0 110.989 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 13.9 p -109.42 -30.87 7.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.57 0.7 . . . . 0.0 111.654 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 92.18 6.97 64.35 Favored Glycine 0 N--CA 1.437 -1.248 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -178.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -90.76 144.31 25.85 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -176.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 64.2 tp -97.37 132.5 43.03 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -105.37 114.56 28.81 Favored 'General case' 0 CA--C 1.485 -1.523 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.28 133.21 53.79 Favored 'General case' 0 C--N 1.292 -1.915 0 C-N-CA 118.318 -1.353 . . . . 0.0 109.647 177.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1529 ' ' LEU . . . . . 0.637 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 96.1 mt -106.5 9.47 31.58 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 171.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.8 m -63.76 -31.21 72.31 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 124.682 1.193 . . . . 0.0 108.87 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 29.2 m -63.7 -24.21 67.68 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.843 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 96.4 mt -104.47 -13.47 16.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.658 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 20.4 t -62.54 114.62 3.65 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 121.815 0.817 . . . . 0.0 109.693 -176.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -154.31 151.24 22.95 Favored Glycine 0 N--CA 1.409 -3.139 0 N-CA-C 108.411 -1.876 . . . . 0.0 108.411 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -84.37 -19.56 33.39 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 123.89 0.406 . . . . 0.0 111.747 -173.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -88.08 -29.25 20.78 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 174.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1537 ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 64.4 -115.99 8.52 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 114.047 -1.433 . . . . 0.0 113.276 174.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 55.9 t80 -146.69 141.51 26.89 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' 1548 ' ' VAL . 27.6 m -120.58 107.51 12.92 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -93.39 134.8 35.26 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.47 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -112.61 137.92 50.16 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 95.1 m-85 . . . . . 0 C--N 1.312 -1.06 0 CA-C-O 120.839 0.352 . . . . 0.0 110.546 -178.414 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.487 -1.68 0 N-CA-C 108.33 -1.908 . . . . 0.0 108.33 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1548 ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' 1539 ' ' THR . 8.1 p -135.16 123.98 40.98 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 CA-C-N 117.91 0.855 . . . . 0.0 111.813 -177.135 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1549 ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' 1565 ' ' ALA . 58.9 m-85 -99.37 113.99 26.63 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 177.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1550 ' ' MET . . . . . 0.541 ' O ' ' HA3' ' A' 1537 ' ' GLY . 22.3 ptp -124.26 131.92 53.55 Favored 'General case' 0 C--N 1.289 -2.033 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.298 -179.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 21.4 t -94.97 149.87 20.78 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 106.301 -1.741 . . . . 0.0 106.301 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 50.0 mm -105.31 104.89 17.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.904 -177.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 73.4 m 67.95 43.62 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.381 -1.281 . . . . 0.0 112.152 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 179.01 -163.8 31.65 Favored Glycine 0 N--CA 1.434 -1.454 0 C-N-CA 120.466 -0.874 . . . . 0.0 111.151 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.26 147.7 22.93 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 120.732 0.301 . . . . 0.0 110.632 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -91.73 127.77 37.32 Favored 'General case' 0 CA--C 1.496 -1.129 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -174.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.26 -8.76 56.58 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -174.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -88.96 -15.45 34.2 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 176.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 86.0 m -105.23 160.36 26.26 Favored Pre-proline 0 C--N 1.303 -1.437 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.84 -176.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1560 ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' 1561 ' ' PRO . 85.0 Cg_exo -54.14 143.9 60.99 Favored 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 123.242 2.628 . . . . 0.0 111.1 175.495 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1561 ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 77.0 Cg_exo -50.33 101.41 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 124.24 3.293 . . . . 0.0 113.452 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 128.98 -18.89 5.55 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.016 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 58.5 t -88.49 132.9 32.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -105.04 -21.33 9.04 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.996 -176.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1565 ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' 1549 ' ' TYR . . . -142.68 134.27 26.58 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 120.895 0.379 . . . . 0.0 110.831 -178.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 84.5 m -128.32 137.67 52.05 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.056 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 89.0 t80 -122.5 140.08 53.15 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.263 0.554 . . . . 0.0 111.173 -176.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 95.41 171.76 36.48 Favored Glycine 0 N--CA 1.431 -1.689 0 CA-C-N 115.39 -0.823 . . . . 0.0 113.065 173.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -79.63 -14.8 58.55 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 121.699 0.761 . . . . 0.0 109.758 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 5.2 m -89.32 -1.63 58.13 Favored 'General case' 0 CA--C 1.557 1.248 0 CA-C-O 122.425 1.107 . . . . 0.0 109.269 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 52.47 49.93 19.37 Favored 'General case' 0 C--N 1.361 1.075 0 CA-C-N 113.894 -1.503 . . . . 0.0 112.214 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 77.1 mt -70.77 131.08 34.78 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.298 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 2.7 p -65.93 110.96 3.08 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.071 0.462 . . . . 0.0 110.265 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.452 HG23 ' HB3' ' A' 1606 ' ' TYR . 7.1 p -105.65 1.84 10.26 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.113 -174.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 179.87 139.66 3.84 Favored Glycine 0 N--CA 1.439 -1.125 0 C-N-CA 119.883 -1.151 . . . . 0.0 113.477 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 45.0 tptt -77.59 153.58 33.12 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 107.778 -1.194 . . . . 0.0 107.778 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -67.67 100.43 0.9 Allowed 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.903 0.481 . . . . 0.0 111.734 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 33.9 t30 -113.29 136.28 52.92 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.61 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.74 31.31 4.98 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.427 0.632 . . . . 0.0 111.983 -179.099 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -92.74 91.45 7.5 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' 1588 ' ' LEU . 40.9 tp -78.66 112.82 16.15 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.473 -177.5 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -106.86 129.27 54.73 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.495 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 84.5 t80 -96.7 105.02 17.06 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 174.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 17.0 m -136.11 138.61 47.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -176.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 32.8 t70 53.67 42.06 31.93 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 122.269 1.033 . . . . 0.0 110.678 178.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 7.1 mp0 66.11 8.7 5.69 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 114.623 -1.172 . . . . 0.0 113.556 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 19.3 m -124.56 161.83 27.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.167 0 O-C-N 121.61 -0.682 . . . . 0.0 110.51 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.549 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 0.5 OUTLIER -97.9 123.81 42.04 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.129 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -123.12 123.62 41.24 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -175.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 72.4 mt -116.77 123.13 46.4 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.591 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 60.1 t -112.11 112.12 39.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 CA-C-O 121.189 0.519 . . . . 0.0 110.042 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.4 94.39 7.79 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -106.69 175.55 5.46 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.628 -174.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 38.5 t70 61.53 60.37 1.67 Allowed 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 125.335 1.454 . . . . 0.0 111.749 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -87.91 -155.48 28.98 Favored Glycine 0 N--CA 1.416 -2.686 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 171.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 21.8 m -71.21 147.4 93.27 Favored Pre-proline 0 C--N 1.284 -2.263 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -59.97 135.02 60.22 Favored 'Trans proline' 0 C--O 1.248 1.02 0 C-N-CA 122.507 2.138 . . . . 0.0 110.068 174.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 34.2 m . . . . . 0 C--N 1.287 -2.133 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.567 -178.285 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 N--CA 1.438 -1.047 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 5.9 m -118.46 140.12 50.35 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.452 ' HB3' HG23 ' A' 1574 ' ' VAL . 85.8 m-85 -61.2 140.0 58.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -140.62 139.32 34.85 Favored 'General case' 0 C--O 1.245 0.856 0 O-C-N 123.841 0.713 . . . . 0.0 109.727 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 23.6 m -111.66 125.79 54.33 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.983 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 64.4 t -108.75 104.54 17.24 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 60.8 mt -99.79 116.48 43.12 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 20.1 m -111.11 116.62 31.42 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.993 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.549 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 65.1 m-85 -92.36 113.08 25.25 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 31.6 t -109.3 144.12 18.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -178.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 8.8 t -60.68 125.09 22.41 Favored 'General case' 0 C--O 1.249 1.053 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -145.66 95.38 4.94 Favored Pre-proline 0 N--CA 1.432 -1.343 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 172.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo . . . . . 0 CA--C 1.536 0.612 0 C-N-CA 122.83 2.353 . . . . 0.0 112.447 -178.36 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 . . . . . 0 N--CA 1.433 -1.286 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.75 122.61 7.43 Favored 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 121.883 1.722 . . . . 0.0 109.986 175.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 84.3 mtp -105.78 147.15 28.95 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.8 tt -90.39 100.5 13.32 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.0 mm -80.65 -46.0 21.4 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.315 -174.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1628 ' ' SER . . . . . 0.408 ' HB2' ' CD1' ' A' 1637 ' ' PHE . 14.7 m -137.63 126.56 24.14 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.902 -178.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.18 95.54 5.91 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 177.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.4 t70 -100.91 101.36 12.16 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.178 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 64.8 mttp -84.47 1.32 46.07 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.78 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -77.93 -46.62 20.7 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 15.8 p -117.09 11.79 14.31 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.568 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.405 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 80.6 m 57.92 56.39 4.74 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.267 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 31.1 m -132.36 124.87 29.59 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.033 0.444 . . . . 0.0 110.417 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.22 121.13 43.2 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1637 ' ' PHE . . . . . 0.408 ' CD1' ' HB2' ' A' 1628 ' ' SER . 95.6 m-85 -95.19 108.25 20.37 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.057 -178.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -107.71 135.7 48.7 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.767 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 74.4 m -119.6 116.57 26.29 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 176.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1640 ' ' TRP . . . . . 0.402 ' CD1' ' HB ' ' A' 1642 ' ' THR . 2.2 t-105 -101.28 133.08 46.4 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -104.99 101.91 11.44 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1642 ' ' THR . . . . . 0.402 ' HB ' ' CD1' ' A' 1640 ' ' TRP . 9.9 t -128.17 141.85 42.63 Favored Pre-proline 0 C--N 1.303 -1.456 0 CA-C-O 121.58 0.705 . . . . 0.0 111.267 -174.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.01 -11.46 25.44 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.43 2.754 . . . . 0.0 111.337 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 93.8 mt -77.51 -17.52 57.9 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.582 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -90.27 5.83 45.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.361 0.6 . . . . 0.0 110.378 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 63.0 m . . . . . 0 C--N 1.31 -1.134 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.735 -178.887 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 C--O 1.252 1.191 0 CA-C-O 121.325 0.583 . . . . 0.0 111.795 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' 1527 ' ' PHE . 13.5 pt20 -143.74 133.38 23.66 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.177 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 60.2 t -117.54 132.18 68.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.037 -177.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 9.9 m -101.34 120.51 40.37 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 175.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -86.99 111.1 38.18 Favored Pre-proline 0 C--N 1.305 -1.342 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.62 -10.2 25.54 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.303 2.669 . . . . 0.0 114.058 -175.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 31.9 t -80.81 -53.43 6.49 Favored 'General case' 0 N--CA 1.433 -1.307 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 45.6 p -94.39 -30.28 14.56 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.001 0.429 . . . . 0.0 112.126 -178.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 94.56 10.71 57.76 Favored Glycine 0 N--CA 1.441 -1.03 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.856 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 12.0 t60 -88.62 139.48 30.43 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 122.389 -0.477 . . . . 0.0 110.41 -177.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 62.2 tp -101.54 112.78 25.44 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.553 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.432 ' O ' ' HA ' ' A' 1517 ' ' GLN . 91.2 m-85 -95.7 106.94 19.11 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.452 -177.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 3.6 p30 -116.99 154.17 31.36 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 72.8 mt -119.76 28.57 8.05 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.59 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 46.3 p -55.96 -33.76 65.07 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 21.3 p -73.85 -27.76 61.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.27 0.557 . . . . 0.0 111.428 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 77.5 mt -96.24 -0.21 50.11 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 33.9 m -82.92 97.92 8.93 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-O 121.107 0.48 . . . . 0.0 109.775 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -107.6 136.86 13.69 Favored Glycine 0 N--CA 1.435 -1.396 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -81.36 -22.37 38.46 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -84.27 -27.12 28.1 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 173.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 95.37 -159.52 22.56 Favored Glycine 0 N--CA 1.414 -2.794 0 CA-C-N 113.687 -1.597 . . . . 0.0 109.927 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -125.11 136.81 54.0 Favored 'General case' 0 C--N 1.278 -2.531 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.53 ' HA ' ' O ' ' A' 1548 ' ' VAL . 41.2 m -126.72 107.21 9.96 Favored 'General case' 0 C--N 1.282 -2.327 0 C-N-CA 120.094 -0.643 . . . . 0.0 110.227 178.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -96.51 106.84 19.15 Favored 'General case' 0 N--CA 1.421 -1.906 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 175.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1541 ' ' ALA . . . . . 0.433 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -95.9 104.67 16.61 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 121.175 0.512 . . . . 0.0 110.126 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--N 1.299 -1.601 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.298 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1547 ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . . . . . . 0 N--CA 1.434 -1.457 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1548 ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' A' 1539 ' ' THR . 23.1 t -92.42 108.33 20.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.754 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -91.07 104.02 16.65 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.5 ptm -119.69 137.05 54.15 Favored 'General case' 0 C--N 1.278 -2.515 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.622 -175.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 34.5 t -96.94 149.64 21.66 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 50.7 mm -125.65 105.33 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 52.5 t 74.97 91.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 111.203 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 97.62 -157.38 20.78 Favored Glycine 0 N--CA 1.437 -1.269 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.268 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.47 149.31 26.3 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-O 120.901 0.381 . . . . 0.0 110.58 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -105.26 141.49 36.7 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.47 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.35 -0.13 24.48 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.304 -176.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -90.85 6.5 44.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.185 0.993 . . . . 0.0 108.765 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 62.1 m -137.11 164.07 44.75 Favored Pre-proline 0 N--CA 1.429 -1.48 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 175.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -63.44 128.06 21.51 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 121.648 1.565 . . . . 0.0 109.335 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -50.44 104.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 123.324 2.683 . . . . 0.0 112.596 -177.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 137.55 -28.39 2.77 Favored Glycine 0 N--CA 1.429 -1.811 0 N-CA-C 108.588 -1.805 . . . . 0.0 108.588 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 87.0 t -88.27 143.45 11.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 174.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -124.21 9.48 8.37 Favored Glycine 0 N--CA 1.44 -1.093 0 C-N-CA 119.64 -1.267 . . . . 0.0 112.896 -176.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -165.52 129.64 2.32 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 120.914 0.388 . . . . 0.0 110.386 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 63.8 m -129.87 132.75 46.54 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 35.2 t80 -109.56 115.91 30.78 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.59 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 94.26 175.71 39.07 Favored Glycine 0 N--CA 1.429 -1.829 0 C-N-CA 120.925 -0.655 . . . . 0.0 113.247 173.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -71.42 -23.79 61.92 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 123.596 0.758 . . . . 0.0 109.163 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 18.5 m -73.68 -11.39 60.4 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.495 177.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 60.81 41.07 15.17 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.106 0.962 . . . . 0.0 111.782 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.6 116.65 2.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 20.2 p -64.72 110.82 2.51 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-O 121.427 0.632 . . . . 0.0 110.733 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.828 HG23 ' HB3' ' A' 1606 ' ' TYR . 14.4 p -112.32 18.06 7.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 CA-C-O 122.242 1.02 . . . . 0.0 109.735 -174.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 169.55 137.92 2.37 Favored Glycine 0 N--CA 1.429 -1.786 0 C-N-CA 120.197 -1.002 . . . . 0.0 113.397 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 45.1 tptt -84.12 150.46 25.53 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 106.611 -1.626 . . . . 0.0 106.611 176.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -58.48 129.45 42.12 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 123.635 0.774 . . . . 0.0 112.557 -176.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -129.12 140.74 51.43 Favored 'General case' 0 C--O 1.253 1.274 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 24.0 pttm -136.89 15.79 3.07 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.544 0.687 . . . . 0.0 110.109 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -96.61 93.29 6.67 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.497 -178.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 17.3 mt -75.86 131.29 39.61 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 120.742 0.306 . . . . 0.0 111.646 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -119.8 138.77 53.15 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 173.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1583 ' ' TYR . . . . . 0.572 ' CZ ' ' HA ' ' A' 1586 ' ' GLN . 22.9 t80 -112.8 100.91 9.04 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -176.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 14.4 m -119.74 112.32 36.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.088 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.3 t70 59.92 48.97 8.26 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 122.403 1.097 . . . . 0.0 111.237 177.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1586 ' ' GLN . . . . . 0.572 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 50.7 mt-30 65.71 19.64 11.42 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 114.419 -1.264 . . . . 0.0 112.112 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 62.6 t -125.34 125.65 69.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.494 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 76.2 mt -85.14 140.17 31.14 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 175.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -136.74 134.74 37.45 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 119.627 -0.829 . . . . 0.0 111.591 -176.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 83.6 mt -130.08 123.84 31.4 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 124.952 1.301 . . . . 0.0 108.714 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.7 p -113.49 111.86 37.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 CA-C-O 121.978 0.894 . . . . 0.0 111.469 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -92.67 91.08 7.36 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 54.0 pttt -112.54 169.3 8.98 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.252 -175.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 35.7 t70 68.6 88.83 0.11 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.954 1.301 . . . . 0.0 112.231 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -132.77 -122.17 2.3 Favored Glycine 0 N--CA 1.425 -2.048 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 38.7 m -76.55 145.75 75.94 Favored Pre-proline 0 C--N 1.298 -1.655 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -74.98 141.78 27.11 Favored 'Trans proline' 0 C--O 1.243 0.746 0 C-N-CA 122.65 2.233 . . . . 0.0 110.771 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 C--N 1.3 -1.584 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.131 -179.519 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 C--O 1.253 1.253 0 CA-C-O 121.332 0.587 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 36.1 t -136.65 152.13 50.07 Favored 'General case' 0 N--CA 1.418 -2.047 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.828 ' HB3' HG23 ' A' 1574 ' ' VAL . 96.9 m-85 -65.15 131.97 47.93 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.568 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -138.23 143.92 40.35 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.961 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 19.7 m -116.98 119.88 36.67 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.792 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 48.3 t -103.9 110.02 28.94 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 67.0 mt -101.33 125.84 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.237 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 16.8 p -121.27 124.67 45.18 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.668 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.494 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 76.8 m-85 -101.28 101.14 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 42.2 t -84.27 132.59 31.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.881 -175.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1614 ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' 1586 ' ' GLN . 43.8 t -62.32 105.22 0.58 Allowed 'General case' 0 C--O 1.242 0.675 0 O-C-N 124.068 0.855 . . . . 0.0 110.116 176.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -129.39 91.32 41.78 Favored Pre-proline 0 C--N 1.305 -1.332 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo . . . . . 0 C--O 1.235 0.33 0 C-N-CA 123.153 2.569 . . . . 0.0 112.967 -177.742 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 . . . . . 0 C--O 1.248 0.974 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -67.04 122.22 9.51 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 121.843 1.695 . . . . 0.0 110.297 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 15.0 tpt -109.88 138.89 45.61 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.216 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.7 tt -83.72 103.86 13.37 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 105.423 -2.066 . . . . 0.0 105.423 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.0 mm -82.03 -50.09 16.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.248 -174.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 21.2 t -137.72 134.16 35.01 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.89 97.09 6.78 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 20.7 t70 -103.04 101.59 11.57 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 118.921 -1.112 . . . . 0.0 110.224 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -84.21 -7.09 59.45 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.861 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -76.81 -49.9 14.76 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.97 0.414 . . . . 0.0 110.627 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 46.0 p -98.89 6.38 46.81 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 121.484 0.659 . . . . 0.0 110.643 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 59.6 m 59.1 45.48 14.53 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.297 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 18.1 m -122.73 118.21 27.52 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.144 -176.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.08 125.74 49.94 Favored 'General case' 0 N--CA 1.428 -1.562 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -98.19 120.23 38.23 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.426 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -117.44 138.89 51.54 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 10.9 t -133.14 141.03 47.93 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.3 t90 -124.31 128.8 49.67 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 66.6 m170 -90.26 105.44 17.81 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 174.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 4.2 t -132.34 137.37 29.83 Favored Pre-proline 0 C--N 1.301 -1.515 0 CA-C-O 121.257 0.551 . . . . 0.0 111.69 -177.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.28 -3.25 12.5 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 122.555 2.17 . . . . 0.0 111.046 174.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.58 -12.26 56.33 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.098 0.475 . . . . 0.0 110.651 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -86.03 -10.01 55.77 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 42.2 m . . . . . 0 N--CA 1.431 -1.411 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 179.8 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 83.4 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 121.948 0.88 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.402 ' CG ' HD11 ' A' 1526 ' ' LEU . 28.1 tt0 -150.93 134.43 16.31 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 114.341 -1.3 . . . . 0.0 108.687 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 90.2 t -133.45 137.4 53.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 18.2 m -116.09 130.96 57.05 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1520 ' ' ASN . . . . . 0.45 ' HA ' ' HD3' ' A' 1521 ' ' PRO . 29.9 p30 -94.26 131.89 30.35 Favored Pre-proline 0 C--N 1.312 -1.05 0 C-N-CA 119.517 -0.873 . . . . 0.0 109.933 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1521 ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' 1520 ' ' ASN . 3.7 Cg_exo -79.66 -5.92 14.2 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 121.922 1.748 . . . . 0.0 111.91 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 14.9 m -74.39 -57.86 3.67 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.959 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 3.9 p -115.14 -7.42 12.45 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 82.64 17.92 67.15 Favored Glycine 0 N--CA 1.441 -1.02 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.824 176.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 27.9 m170 -91.98 140.86 29.24 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.206 0.527 . . . . 0.0 111.683 -177.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1526 ' ' LEU . . . . . 0.402 HD11 ' CG ' ' A' 1517 ' ' GLN . 59.3 tp -98.49 130.17 45.08 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.854 -176.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -113.4 132.81 55.48 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 4.0 p30 -150.33 157.09 42.67 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 120.634 -0.426 . . . . 0.0 109.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.6 mt -118.13 27.42 9.0 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 16.4 m -71.44 -9.17 57.75 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -173.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 28.5 p -91.57 -17.04 26.22 Favored 'General case' 0 C--N 1.309 -1.16 0 O-C-N 121.76 -0.588 . . . . 0.0 111.406 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 95.7 mt -106.73 -16.51 14.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.961 0.41 . . . . 0.0 110.624 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 30.0 p -59.67 124.38 19.93 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.737 0.815 . . . . 0.0 112.029 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -172.01 147.9 10.42 Favored Glycine 0 N--CA 1.425 -2.051 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -78.62 -18.24 54.82 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -175.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -85.89 -29.62 23.52 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1537 ' ' GLY . . . . . 0.451 ' HA3' ' HA ' ' A' 1551 ' ' SER . . . 69.14 -110.28 3.3 Favored Glycine 0 N--CA 1.433 -1.513 0 CA-C-N 114.263 -1.335 . . . . 0.0 113.734 174.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 57.1 t80 -163.64 132.12 3.75 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 59.4 m -91.53 107.84 19.49 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -98.35 105.66 17.84 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -101.14 127.22 47.79 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.309 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 64.2 m-85 . . . . . 0 C--N 1.297 -1.69 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.964 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.795 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 89.8 t -85.31 102.45 11.15 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 CA-C-O 121.739 0.78 . . . . 0.0 109.812 -178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -84.33 105.02 14.85 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.5 ptm -122.57 130.04 52.58 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-O 121.374 0.607 . . . . 0.0 111.255 -176.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1551 ' ' SER . . . . . 0.451 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 17.1 t -88.85 150.4 22.91 Favored 'General case' 0 N--CA 1.423 -1.789 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 176.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 45.9 mm -108.27 93.72 2.68 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 36.1 t 70.18 61.25 0.24 Allowed 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 124.631 1.207 . . . . 0.0 110.377 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 169.25 -170.54 42.62 Favored Glycine 0 N--CA 1.428 -1.858 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -93.05 135.16 34.47 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -77.24 130.45 37.25 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.073 -175.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.47 -23.65 61.08 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.096 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 16.0 m120 -82.4 -1.38 49.83 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.067 0.46 . . . . 0.0 110.174 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 76.7 m -130.58 166.56 26.19 Favored Pre-proline 0 C--N 1.307 -1.257 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -59.52 144.45 99.42 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 122.321 2.014 . . . . 0.0 111.001 173.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -54.95 118.64 5.37 Favored 'Trans proline' 0 C--O 1.245 0.874 0 C-N-CA 123.532 2.822 . . . . 0.0 113.09 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 121.48 -20.48 8.32 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.541 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 60.4 t -88.24 134.57 27.73 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -95.41 -29.97 8.48 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.644 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -150.13 145.69 26.47 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 122.389 -0.477 . . . . 0.0 110.823 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 73.7 m -130.28 133.83 46.78 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 123.162 0.585 . . . . 0.0 109.469 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 89.2 t80 -97.68 125.91 42.72 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -178.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 85.05 165.48 40.23 Favored Glycine 0 N--CA 1.429 -1.82 0 CA-C-N 115.344 -0.843 . . . . 0.0 113.18 172.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.61 -17.81 64.75 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.454 0.645 . . . . 0.0 109.87 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 6.4 m -71.8 -15.51 62.16 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.022 176.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 62.74 46.13 5.42 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.854 1.662 . . . . 0.0 111.672 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.96 115.09 19.4 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 3.8 p -55.98 115.57 2.48 Favored 'General case' 0 C--N 1.314 -0.975 0 O-C-N 123.634 0.584 . . . . 0.0 111.587 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.685 HG23 ' HB3' ' A' 1606 ' ' TYR . 14.4 p -113.24 24.62 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.291 0 CA-C-O 122.249 1.023 . . . . 0.0 110.812 -175.283 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 154.27 148.18 4.88 Favored Glycine 0 C--O 1.242 0.626 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.694 174.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' 1594 ' ' ASP . 47.7 mmtm -81.49 153.48 26.82 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 123.454 0.702 . . . . 0.0 109.704 176.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -69.56 108.97 4.04 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.571 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 13.4 m120 -122.88 155.08 37.38 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -130.95 27.85 4.86 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.13 0.49 . . . . 0.0 111.616 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -95.51 115.76 27.88 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.562 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.572 HD22 ' HB3' ' A' 1588 ' ' LEU . 25.4 mt -94.33 132.26 39.11 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.603 0.716 . . . . 0.0 111.613 175.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -114.67 125.85 54.21 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 173.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1583 ' ' TYR . . . . . 0.542 ' CZ ' ' HA ' ' A' 1586 ' ' GLN . 42.3 t80 -102.8 100.28 10.28 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 16.3 m -123.76 113.36 36.83 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.881 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.1 t70 52.29 55.15 9.57 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.97 1.308 . . . . 0.0 111.609 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1586 ' ' GLN . . . . . 0.542 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 83.6 mt-30 64.86 26.64 12.89 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 114.125 -1.398 . . . . 0.0 112.921 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 62.0 t -128.82 130.24 68.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.572 ' HB3' HD22 ' A' 1581 ' ' LEU . 74.0 mt -92.7 117.05 29.58 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 173.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -104.95 126.24 51.8 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 28.8 mt -114.79 123.74 49.98 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 169.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1591 ' ' VAL . . . . . 0.471 ' HA ' ' O ' ' A' 1608 ' ' SER . 7.4 p -120.06 115.89 48.72 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.813 177.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -89.57 101.15 13.83 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 175.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -101.05 157.01 17.08 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.56 -174.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1594 ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' A' 1576 ' ' LYS . 34.1 t70 70.62 75.73 0.2 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.007 1.323 . . . . 0.0 112.991 178.057 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -98.13 -136.66 9.32 Favored Glycine 0 N--CA 1.423 -2.178 0 N-CA-C 110.154 -1.179 . . . . 0.0 110.154 172.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1596 ' ' SER . . . . . 0.449 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 49.5 m -78.55 145.89 68.42 Favored Pre-proline 0 C--N 1.295 -1.787 0 CA-C-O 120.582 0.229 . . . . 0.0 110.993 178.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1597 ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' 1596 ' ' SER . 28.1 Cg_exo -64.59 130.6 26.97 Favored 'Trans proline' 0 C--O 1.25 1.085 0 C-N-CA 123.068 2.512 . . . . 0.0 110.7 175.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 63.8 m . . . . . 0 C--N 1.302 -1.459 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.235 -176.94 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 76.6 mt . . . . . 0 C--O 1.246 0.902 0 CA-C-O 121.319 0.58 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 36.5 m -130.73 142.81 50.43 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.685 ' HB3' HG23 ' A' 1574 ' ' VAL . 99.1 m-85 -59.19 139.68 56.69 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 123.944 0.778 . . . . 0.0 113.01 -175.214 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -130.9 151.12 51.67 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.915 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1608 ' ' SER . . . . . 0.471 ' O ' ' HA ' ' A' 1591 ' ' VAL . 32.3 m -114.78 113.85 24.8 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 120.937 0.399 . . . . 0.0 110.727 176.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 65.6 t -102.86 107.45 22.05 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 56.9 mt -101.39 114.1 39.59 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 8.5 t -100.93 100.65 11.31 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.279 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.554 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 93.3 m-85 -88.74 99.7 12.56 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.5 t -88.88 132.7 33.04 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -175.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1614 ' ' CYS . . . . . 0.505 ' HB3' ' HB3' ' A' 1586 ' ' GLN . 22.6 t -56.13 99.51 0.03 OUTLIER 'General case' 0 C--O 1.244 0.791 0 O-C-N 124.427 1.08 . . . . 0.0 109.54 174.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1615 ' ' ARG . . . . . 0.436 ' HD3' ' HA ' ' A' 1615 ' ' ARG . 36.1 mmt180 -127.45 98.51 28.9 Favored Pre-proline 0 N--CA 1.42 -1.946 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.341 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo . . . . . 0 CA--C 1.537 0.634 0 C-N-CA 123.26 2.64 . . . . 0.0 110.62 176.062 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 . . . . . 0 C--O 1.244 0.791 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -75.9 127.68 10.25 Favored 'Trans proline' 0 C--O 1.247 0.932 0 C-N-CA 122.439 2.093 . . . . 0.0 108.977 170.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 50.3 ttm -134.45 131.17 37.8 Favored 'General case' 0 C--N 1.291 -1.939 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.688 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1626 ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' 1637 ' ' PHE . 42.2 tp -70.7 117.99 12.92 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 173.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 46.9 mm -91.57 -41.22 13.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 -176.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.1 t -152.21 138.53 18.46 Favored 'General case' 0 N--CA 1.432 -1.348 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.293 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.25 104.93 15.11 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 105.844 -1.91 . . . . 0.0 105.844 177.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -107.08 102.52 11.85 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 119.747 -0.781 . . . . 0.0 109.595 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -84.22 -3.27 58.07 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.105 0.479 . . . . 0.0 110.814 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -86.45 -50.84 6.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.034 0.445 . . . . 0.0 110.252 -177.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 41.7 p -96.17 2.03 52.76 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.574 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 76.8 m 60.16 47.12 9.73 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 114.368 -1.287 . . . . 0.0 111.21 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 36.2 m -120.28 123.35 42.97 Favored 'General case' 0 N--CA 1.418 -2.063 0 CA-C-O 121.337 0.589 . . . . 0.0 111.122 -175.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.429 ' HB3' ' CE2' ' A' 1638 ' ' PHE . 4.1 mm? -96.35 116.8 29.62 Favored 'General case' 0 N--CA 1.424 -1.763 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 174.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1637 ' ' PHE . . . . . 0.437 ' O ' HD12 ' A' 1626 ' ' LEU . 93.9 m-85 -99.52 107.85 20.13 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.336 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1638 ' ' PHE . . . . . 0.429 ' CE2' ' HB3' ' A' 1636 ' ' LEU . 88.1 m-85 -114.5 141.19 48.03 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 25.8 t -128.02 144.0 51.09 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -125.53 136.47 53.37 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -104.95 103.49 13.06 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 6.9 t -139.67 143.99 37.36 Favored Pre-proline 0 C--N 1.313 -0.995 0 CA-C-O 121.398 0.618 . . . . 0.0 111.961 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.31 -1.1 11.27 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 123.242 2.628 . . . . 0.0 111.455 175.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 95.6 mt -75.95 -11.27 59.93 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.372 0.606 . . . . 0.0 110.397 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.88 8.84 43.48 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.683 0.754 . . . . 0.0 109.297 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 58.3 m . . . . . 0 C--N 1.306 -1.299 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.911 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.255 1.391 0 CA-C-O 121.609 0.719 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -150.98 142.22 23.24 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.567 -178.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 58.2 t -116.78 137.33 50.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 18.6 m -134.35 118.57 17.62 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 174.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 15.2 m120 -84.15 111.46 33.63 Favored Pre-proline 0 C--N 1.3 -1.573 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -59.15 -25.84 79.54 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.224 2.616 . . . . 0.0 112.264 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 4.8 p -65.17 -60.93 2.47 Favored 'General case' 0 N--CA 1.424 -1.766 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.473 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 23.2 p -87.58 -42.14 12.93 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 107.39 -4.78 35.23 Favored Glycine 0 N--CA 1.435 -1.37 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.157 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . 0.271 4.6 p-80 -81.0 143.32 32.61 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -176.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 44.5 tp -107.6 136.01 48.08 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 124.965 1.306 . . . . 0.0 111.162 -174.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -115.12 128.79 56.43 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 174.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 8.0 t70 -135.67 136.2 40.73 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 85.9 mt -117.76 23.09 11.93 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 177.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1530 ' ' SER . . . . . 0.469 ' HA ' ' OG ' ' A' 1533 ' ' SER . 29.5 t -63.96 -23.92 67.52 Favored 'General case' 0 C--O 1.248 1.025 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -175.083 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 36.6 p -77.07 -20.85 55.29 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 120.795 0.331 . . . . 0.0 111.285 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 87.9 mt -105.94 -18.46 14.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.742 0.306 . . . . 0.0 111.174 -177.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1533 ' ' SER . . . . . 0.469 ' OG ' ' HA ' ' A' 1530 ' ' SER . 50.7 p -75.95 119.12 19.48 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.374 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -149.33 154.7 25.92 Favored Glycine 0 N--CA 1.427 -1.907 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1535 ' ' ARG . . . . . 0.573 ' O ' ' HA ' ' A' 1556 ' ' ASN . 27.1 mmt180 -74.34 -25.72 59.7 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.35 0.575 . . . . 0.0 110.114 -175.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -82.82 -34.53 26.9 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.29 0.567 . . . . 0.0 109.986 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1537 ' ' GLY . . . . . 0.457 ' HA3' ' HA ' ' A' 1551 ' ' SER . . . 69.97 -114.15 5.39 Favored Glycine 0 N--CA 1.436 -1.301 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.934 175.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 55.2 t80 -148.12 138.49 22.81 Favored 'General case' 0 N--CA 1.427 -1.624 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 55.4 m -107.47 116.58 32.19 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -112.76 108.8 17.94 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.865 -178.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -93.19 104.59 16.77 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1542 ' ' TYR . . . . . 0.458 ' CZ ' ' HB2' ' A' 1626 ' ' LEU . 97.6 m-85 . . . . . 0 C--N 1.298 -1.635 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.319 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 57.7 t -86.64 121.74 37.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 CA-C-O 121.031 0.443 . . . . 0.0 110.423 -176.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -104.49 104.7 14.6 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 17.0 ptm -127.18 137.4 52.93 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.296 -172.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1551 ' ' SER . . . . . 0.457 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 30.9 t -94.38 150.8 19.93 Favored 'General case' 0 N--CA 1.429 -1.51 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 1.9 mp -105.45 104.53 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.607 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 176.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 35.7 t 67.71 67.02 0.37 Allowed 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.395 1.059 . . . . 0.0 110.074 175.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 151.65 -149.07 20.75 Favored Glycine 0 N--CA 1.424 -2.112 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.738 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1555 ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' 1555 ' ' GLU . 0.3 OUTLIER -107.19 151.95 24.73 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 125.197 1.399 . . . . 0.0 110.446 -176.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.573 ' HA ' ' O ' ' A' 1535 ' ' ARG . 3.2 t-20 -100.81 113.2 25.91 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -66.56 -11.0 50.95 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 17.5 m120 -82.94 1.77 37.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.766 0.793 . . . . 0.0 109.382 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 78.9 m -135.21 177.28 2.31 Favored Pre-proline 0 C--N 1.297 -1.677 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -56.53 128.52 30.41 Favored 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 121.444 1.43 . . . . 0.0 110.404 173.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -59.89 99.79 0.13 Allowed 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 122.759 2.306 . . . . 0.0 110.627 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 152.68 -25.8 0.84 Allowed Glycine 0 N--CA 1.425 -2.048 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 -176.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 54.8 t -88.26 137.58 20.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 174.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -101.02 -23.95 9.41 Favored Glycine 0 C--N 1.312 -0.782 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.73 -176.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -151.79 137.57 17.98 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 120.962 0.411 . . . . 0.0 110.528 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1566 ' ' CYS . . . . . 0.414 ' HB3' ' HA ' ' A' 1571 ' ' ARG . 71.9 m -123.77 133.37 53.85 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.837 178.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 87.7 t80 -97.87 116.85 30.91 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.372 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 80.81 173.29 46.99 Favored Glycine 0 N--CA 1.437 -1.291 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.641 175.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -72.63 -13.52 61.39 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.342 0.591 . . . . 0.0 109.857 177.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 18.8 m -72.07 -16.74 62.03 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 121.929 0.871 . . . . 0.0 109.535 174.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1571 ' ' ARG . . . . . 0.414 ' HA ' ' HB3' ' A' 1566 ' ' CYS . 99.4 mtt180 60.5 40.93 16.42 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 125.208 1.403 . . . . 0.0 112.786 176.134 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 65.4 mt -72.4 129.97 35.58 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 5.7 p -61.56 110.8 1.58 Allowed 'General case' 0 N--CA 1.434 -1.231 0 CA-C-O 121.517 0.675 . . . . 0.0 111.518 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.699 HG23 ' HB3' ' A' 1606 ' ' TYR . 11.0 p -113.19 17.18 7.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-O 122.537 1.161 . . . . 0.0 108.937 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 167.58 136.1 1.98 Allowed Glycine 0 N--CA 1.426 -1.971 0 CA-C-N 114.492 -1.231 . . . . 0.0 112.704 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 27.3 tptp -86.34 149.16 25.23 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -56.68 120.82 8.45 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -176.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 31.9 t30 -138.23 136.97 37.08 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 20.1 pttm -130.71 15.06 5.38 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 121.728 0.775 . . . . 0.0 109.899 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -90.57 107.99 19.52 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.268 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 41.3 mt -79.78 137.91 37.12 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.993 176.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -122.19 113.23 19.19 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 88.3 t80 -85.5 100.2 11.74 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 28.2 m -135.64 141.11 43.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.351 -177.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 20.9 t70 57.46 37.52 27.84 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 122.244 1.021 . . . . 0.0 110.871 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 64.94 16.8 10.75 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 114.52 -1.218 . . . . 0.0 113.105 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 33.2 m -134.12 163.77 36.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 91.7 mt -96.28 117.23 30.38 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -100.71 124.57 46.5 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.936 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 21.6 mt -114.72 123.04 48.26 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 169.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.7 p -128.43 123.8 60.61 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.273 0 CA-C-O 121.274 0.559 . . . . 0.0 109.973 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1592 ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' 1607 ' ' LYS . 78.6 m-85 -102.86 102.93 13.06 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.017 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -98.24 -174.84 2.95 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 60.77 54.94 3.41 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 121.664 0.745 . . . . 0.0 112.522 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -98.45 -148.02 22.96 Favored Glycine 0 N--CA 1.427 -1.916 0 N-CA-C 109.198 -1.561 . . . . 0.0 109.198 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 37.9 t -73.09 134.76 80.46 Favored Pre-proline 0 C--N 1.297 -1.676 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.95 118.02 5.23 Favored 'Trans proline' 0 C--O 1.242 0.696 0 C-N-CA 122.685 2.257 . . . . 0.0 111.444 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 81.8 m . . . . . 0 C--N 1.307 -1.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.511 179.019 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 38.1 t 174.59 134.15 0.04 OUTLIER 'General case' 0 CA--C 1.494 -1.197 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.462 175.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.699 ' HB3' HG23 ' A' 1574 ' ' VAL . 66.0 m-85 -69.06 137.54 53.65 Favored 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 107.235 -1.395 . . . . 0.0 107.235 167.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1607 ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' 1592 ' ' TYR . 16.1 ptpt -149.36 134.75 18.39 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.493 0.663 . . . . 0.0 111.403 -177.014 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 20.3 m -108.98 126.38 53.05 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.136 -178.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 63.1 t -112.89 113.85 45.28 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1610 ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' 1638 ' ' PHE . 53.7 mt -107.69 123.64 63.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 178.198 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 19.8 m -116.47 115.61 26.13 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-O 121.211 0.529 . . . . 0.0 110.37 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1612 ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -85.77 113.87 22.28 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 65.7 t -104.44 140.18 23.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 28.7 t -63.88 126.47 27.75 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.736 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -150.16 102.54 3.16 Favored Pre-proline 0 N--CA 1.424 -1.754 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 171.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1616 ' ' PRO . . . . . 0.403 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 65.3 Cg_exo . . . . . 0 N--CA 1.486 1.057 0 C-N-CA 124.046 3.164 . . . . 0.0 114.533 -176.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 . . . . . 0 N--CA 1.432 -1.334 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.41 ' HD3' ' CZ3' ' A' 1640 ' ' TRP . 80.6 Cg_endo -80.47 141.23 13.94 Favored 'Trans proline' 0 N--CA 1.445 -1.339 0 C-N-CA 121.972 1.781 . . . . 0.0 110.281 174.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1625 ' ' MET . . . . . 0.47 ' O ' ' HA ' ' A' 1638 ' ' PHE . 20.3 ptp -116.62 148.48 40.91 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1626 ' ' LEU . . . . . 0.458 ' HB2' ' CZ ' ' A' 1542 ' ' TYR . 1.7 tt -94.34 108.4 20.31 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 107.551 -1.278 . . . . 0.0 107.551 -175.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.3 mm -86.94 -48.17 15.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.912 -175.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 23.0 t -141.03 145.0 35.31 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.431 HD22 ' HG ' ' A' 1636 ' ' LEU . 0.4 OUTLIER -119.35 105.71 11.57 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -177.854 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -101.92 113.13 26.07 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.897 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -84.56 -2.63 57.67 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.368 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -84.68 -53.25 5.5 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.215 0.531 . . . . 0.0 109.752 -175.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 23.6 p -105.69 12.07 31.46 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.893 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 65.5 m 53.01 41.33 32.16 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.645 177.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 30.1 m -106.25 120.46 41.9 Favored 'General case' 0 N--CA 1.424 -1.774 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.434 -176.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.431 ' HG ' HD22 ' A' 1629 ' ' LEU . 5.6 mp -103.09 127.82 50.21 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 176.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -99.37 116.78 32.33 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.876 -177.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1638 ' ' PHE . . . . . 0.47 ' HA ' ' O ' ' A' 1625 ' ' MET . 91.8 m-85 -118.56 137.28 53.34 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 54.9 p -123.97 139.48 53.92 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1640 ' ' TRP . . . . . 0.41 ' CZ3' ' HD3' ' A' 1624 ' ' PRO . 2.0 t90 -124.21 132.05 53.58 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 177.206 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 61.5 m80 -99.15 107.86 20.32 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.8 t -140.15 145.14 40.54 Favored Pre-proline 0 C--N 1.306 -1.321 0 CA-C-O 121.264 0.554 . . . . 0.0 110.789 -175.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.677 ' HA ' ' SG ' ' A' 1646 ' ' CYS . 74.8 Cg_endo -77.33 -4.92 15.23 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.169 2.579 . . . . 0.0 110.977 175.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 92.5 mt -82.78 -3.32 56.46 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.391 0.615 . . . . 0.0 110.276 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -109.04 14.34 24.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.922 0.868 . . . . 0.0 108.836 175.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1646 ' ' CYS . . . . . 0.677 ' SG ' ' HA ' ' A' 1643 ' ' PRO . 70.9 m . . . . . 0 C--N 1.308 -1.221 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.37 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1516 ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' 1529 ' ' LEU . 5.7 t . . . . . 0 C--O 1.244 0.789 0 CA-C-O 122.631 1.205 . . . . 0.0 108.971 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' 1527 ' ' PHE . 12.8 pt20 -158.49 162.0 37.44 Favored 'General case' 0 N--CA 1.423 -1.794 0 CA-C-N 114.006 -1.452 . . . . 0.0 107.638 -175.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 14.8 p -159.67 140.49 4.06 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 5.8 m -106.16 133.39 50.94 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 120.656 0.265 . . . . 0.0 110.454 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 15.3 m120 -92.39 110.76 46.88 Favored Pre-proline 0 C--N 1.311 -1.066 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.18 -15.25 45.79 Favored 'Trans proline' 0 C--O 1.241 0.673 0 C-N-CA 122.672 2.248 . . . . 0.0 113.967 -174.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 7.6 p -79.8 -64.41 1.19 Allowed 'General case' 0 N--CA 1.433 -1.276 0 C-N-CA 123.105 0.562 . . . . 0.0 111.619 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 29.0 p -82.61 -16.71 47.4 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.078 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 79.44 11.96 84.3 Favored Glycine 0 N--CA 1.439 -1.145 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 32.6 m170 -89.44 143.91 26.46 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.481 -0.36 . . . . 0.0 110.036 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.8 tt -120.83 129.05 53.39 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' 1517 ' ' GLN . 70.3 m-85 -95.47 122.86 38.64 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 120.631 0.253 . . . . 0.0 110.425 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -112.09 122.38 47.59 Favored 'General case' 0 CA--C 1.484 -1.582 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.16 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1529 ' ' LEU . . . . . 0.471 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 97.6 mt -111.04 20.69 17.21 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 172.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 3.0 p -60.35 -36.19 77.42 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 123.979 0.912 . . . . 0.0 113.022 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 19.4 m -71.56 -16.83 62.32 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.374 0.606 . . . . 0.0 110.82 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 78.1 mt -102.18 -18.08 15.69 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.145 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 43.7 t -64.83 143.88 57.64 Favored 'General case' 0 C--O 1.255 1.386 0 CA-C-O 121.127 0.489 . . . . 0.0 110.515 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . 172.88 147.94 6.07 Favored Glycine 0 N--CA 1.423 -2.185 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1535 ' ' ARG . . . . . 0.521 ' O ' ' HA ' ' A' 1556 ' ' ASN . 72.4 mtp180 -82.04 -30.19 31.57 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 120.939 0.4 . . . . 0.0 110.762 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -75.8 -30.34 59.02 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1537 ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 56.84 -108.8 1.35 Allowed Glycine 0 CA--C 1.493 -1.332 0 CA-C-N 114.079 -1.419 . . . . 0.0 113.73 173.221 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 52.2 t80 -160.39 157.97 28.73 Favored 'General case' 0 N--CA 1.428 -1.552 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 62.9 m -130.81 115.37 16.52 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.019 0.438 . . . . 0.0 109.917 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -117.22 128.43 55.08 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.351 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -90.88 125.9 35.88 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.164 0.507 . . . . 0.0 111.222 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 84.1 m-85 . . . . . 0 C--N 1.306 -1.306 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.24 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.416 -2.697 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 51.5 t -94.76 107.66 19.73 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.165 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -88.99 104.0 16.57 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1550 ' ' MET . . . . . 0.43 ' O ' ' HA3' ' A' 1537 ' ' GLY . 22.3 ptm -116.72 127.87 54.79 Favored 'General case' 0 C--N 1.282 -2.34 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.914 -173.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1551 ' ' SER . . . . . 0.494 ' OG ' ' HA ' ' A' 1535 ' ' ARG . 42.3 t -96.32 142.81 28.01 Favored 'General case' 0 N--CA 1.417 -2.087 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 174.002 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 64.9 mt -102.37 107.39 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.341 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 60.1 m 72.94 16.85 4.35 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.084 1.354 . . . . 0.0 113.631 177.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . -154.6 -163.32 11.88 Favored Glycine 0 CA--C 1.497 -1.049 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -178.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1555 ' ' GLU . . . . . 0.614 ' OE1' ' HA ' ' A' 1561 ' ' PRO . 9.3 pt-20 -106.92 134.13 50.53 Favored 'General case' 0 C--O 1.249 1.033 0 CA-C-O 121.172 0.511 . . . . 0.0 111.074 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' 1535 ' ' ARG . 26.1 t-20 -72.2 136.63 46.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.055 -174.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -67.91 -16.24 63.98 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.137 0.975 . . . . 0.0 113.371 -175.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 16.2 m120 -107.93 23.64 14.17 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 83.9 m -134.14 152.71 78.82 Favored Pre-proline 0 C--N 1.3 -1.58 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.756 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.01 149.01 21.98 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 123.472 2.781 . . . . 0.0 111.647 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1561 ' ' PRO . . . . . 0.614 ' HA ' ' OE1' ' A' 1555 ' ' GLU . 16.5 Cg_endo -56.4 110.17 0.54 Allowed 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.437 2.758 . . . . 0.0 112.599 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 112.88 -8.59 25.55 Favored Glycine 0 N--CA 1.436 -1.334 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.943 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 89.8 t -88.64 124.72 41.7 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 117.206 0.503 . . . . 0.0 110.376 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -84.75 -31.91 22.86 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.803 -175.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -151.89 142.67 22.89 Favored 'General case' 0 C--N 1.31 -1.123 0 O-C-N 122.508 -0.407 . . . . 0.0 111.06 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1566 ' ' CYS . . . . . 0.411 ' HB3' ' HA ' ' A' 1571 ' ' ARG . 74.2 m -122.16 135.84 54.83 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.228 178.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 84.5 t80 -98.71 114.66 27.27 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.744 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 86.03 173.56 49.36 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.712 -0.676 . . . . 0.0 113.181 174.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -71.52 -16.86 62.35 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 4.6 m -67.89 -21.15 65.16 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.152 177.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1571 ' ' ARG . . . . . 0.411 ' HA ' ' HB3' ' A' 1566 ' ' CYS . 98.1 mtt180 66.67 34.16 5.95 Favored 'General case' 0 CA--C 1.501 -0.919 0 C-N-CA 125.165 1.386 . . . . 0.0 113.036 176.236 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.18 118.13 8.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.953 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 12.1 p -61.98 111.01 1.74 Allowed 'General case' 0 N--CA 1.432 -1.335 0 CA-C-O 121.451 0.644 . . . . 0.0 111.785 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.589 HG23 ' HB3' ' A' 1606 ' ' TYR . 11.6 p -101.35 20.39 2.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-O 122.291 1.043 . . . . 0.0 109.607 -178.301 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1575 ' ' GLY . . . . . 0.401 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 152.91 149.53 5.17 Favored Glycine 0 N--CA 1.429 -1.816 0 C-N-CA 120.054 -1.07 . . . . 0.0 114.12 175.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 48.6 tptt -77.71 150.76 34.42 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -70.83 112.63 7.17 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 122.938 0.495 . . . . 0.0 110.807 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -121.06 156.52 32.04 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.108 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 22.5 pttp -133.7 7.54 3.81 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 121.29 0.566 . . . . 0.0 109.696 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -80.64 93.19 6.09 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.734 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' 1588 ' ' LEU . 46.8 tp -84.41 125.04 31.97 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.797 -178.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -107.86 141.78 38.93 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.896 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 40.6 p90 -107.42 104.41 13.98 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 174.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 15.6 m -127.49 106.18 14.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 121.918 -0.489 . . . . 0.0 112.141 -176.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 37.5 t70 58.27 52.15 7.69 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 122.397 1.094 . . . . 0.0 111.12 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 15.3 mp0 67.75 5.87 4.71 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 176.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 7.2 p -116.94 128.98 74.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.515 ' HB3' HD11 ' A' 1581 ' ' LEU . 90.0 mt -82.88 132.14 35.17 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -129.4 131.43 46.8 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 119.846 -0.742 . . . . 0.0 112.202 -174.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 68.7 mt -116.1 124.9 51.54 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 173.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.1 p -120.05 115.92 48.81 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 CA-C-O 122.047 0.927 . . . . 0.0 111.263 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1592 ' ' TYR . . . . . 0.401 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 33.7 m-85 -99.69 102.1 13.48 Favored 'General case' 0 N--CA 1.418 -2.046 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 176.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1593 ' ' LYS . . . . . 0.423 ' HG3' ' OD2' ' A' 1594 ' ' ASP . 21.0 pttp -117.13 -172.17 2.17 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 176.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1594 ' ' ASP . . . . . 0.423 ' OD2' ' HG3' ' A' 1593 ' ' LYS . 15.4 m-20 66.85 59.62 0.56 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 122.14 0.971 . . . . 0.0 109.64 -178.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -126.77 -142.45 5.63 Favored Glycine 0 N--CA 1.427 -1.91 0 CA-C-N 114.62 -1.173 . . . . 0.0 110.297 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1596 ' ' SER . . . . . 0.547 ' O ' ' HA ' ' A' 1605 ' ' SER . 23.0 t -60.2 126.33 83.75 Favored Pre-proline 0 C--N 1.31 -1.123 0 C-N-CA 123.291 0.636 . . . . 0.0 109.828 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -72.48 163.19 39.3 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 122.869 2.379 . . . . 0.0 112.496 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1598 ' ' CYS . . . . . 0.445 ' H ' ' HB2' ' A' 1604 ' ' LEU . 59.0 m . . . . . 0 C--N 1.303 -1.442 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1604 ' ' LEU . . . . . 0.445 ' HB2' ' H ' ' A' 1598 ' ' CYS . 1.6 pp . . . . . 0 N--CA 1.429 -1.48 0 CA-C-O 120.217 0.056 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1605 ' ' SER . . . . . 0.547 ' HA ' ' O ' ' A' 1596 ' ' SER . 45.4 t 80.52 124.86 0.04 OUTLIER 'General case' 0 CA--C 1.495 -1.168 0 C-N-CA 124.856 1.262 . . . . 0.0 111.82 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.589 ' HB3' HG23 ' A' 1574 ' ' VAL . 53.5 m-85 -62.93 130.98 47.14 Favored 'General case' 0 N--CA 1.421 -1.896 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.865 171.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -131.48 139.06 49.25 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.96 -176.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 23.1 t -115.24 113.94 24.56 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 48.1 t -107.09 102.9 14.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 60.2 mt -97.67 121.15 47.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 19.2 m -115.19 119.32 35.97 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.107 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.4 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 89.5 m-85 -94.65 99.9 11.94 Favored 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 39.9 t -84.75 132.64 31.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 CA-C-N 115.423 -0.808 . . . . 0.0 108.876 -176.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 44.7 t -61.41 121.97 13.98 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 114.262 -1.336 . . . . 0.0 110.62 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -135.87 86.62 26.65 Favored Pre-proline 0 C--N 1.308 -1.237 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo . . . . . 0 C--N 1.352 0.715 0 C-N-CA 123.398 2.732 . . . . 0.0 113.681 -174.655 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -80.66 146.98 17.17 Favored 'Trans proline' 0 N--CA 1.449 -1.144 0 C-N-CA 122.241 1.961 . . . . 0.0 109.238 169.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 23.4 ptp -138.65 146.9 42.23 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.9 tt -88.32 118.69 28.11 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.2 mm -100.1 -48.97 11.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.592 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 28.7 t -136.43 141.94 43.62 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.44 HD11 ' HE2' ' A' 1631 ' ' LYS . 2.0 tm? -128.81 122.0 29.52 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.734 -177.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -117.99 107.46 14.07 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1631 ' ' LYS . . . . . 0.44 ' HE2' HD11 ' A' 1629 ' ' LEU . 72.9 mmtt -66.52 -32.93 74.58 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.093 0.557 . . . . 0.0 110.976 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -68.31 -55.6 11.54 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.1 -0.955 . . . . 0.0 112.196 -173.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 27.5 p -90.93 3.68 53.95 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 121.009 0.433 . . . . 0.0 111.193 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.487 ' O ' ' HA ' ' A' 1606 ' ' TYR . 62.1 m 57.71 32.71 22.27 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.069 0.948 . . . . 0.0 111.193 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 26.7 m -105.64 128.8 53.85 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.795 -175.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.422 ' HG ' HD23 ' A' 1629 ' ' LEU . 5.6 mp -111.71 131.11 55.53 Favored 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 177.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -105.96 116.26 31.64 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.29 -178.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -113.64 140.67 48.02 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.969 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 23.5 t -121.34 134.64 55.14 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -122.13 130.81 53.57 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 176.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -106.67 108.0 19.29 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 7.5 t -138.85 146.9 52.05 Favored Pre-proline 0 C--N 1.317 -0.833 0 CA-C-O 121.037 0.446 . . . . 0.0 110.395 -174.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -74.59 -12.29 22.41 Favored 'Trans proline' 0 C--N 1.362 1.263 0 C-N-CA 123.155 2.57 . . . . 0.0 111.489 176.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 97.4 mt -76.69 -9.46 58.69 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.446 0.641 . . . . 0.0 110.494 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.52 12.9 29.87 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.939 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 53.4 m . . . . . 0 C--N 1.31 -1.121 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.302 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1516 ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' 1528 ' ' ASP . 98.6 m . . . . . 0 CA--C 1.505 -0.774 0 CA-C-O 121.204 0.526 . . . . 0.0 112.156 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.709 ' HA ' ' O ' ' A' 1527 ' ' PHE . 25.8 pt20 -139.52 128.26 23.28 Favored 'General case' 0 N--CA 1.417 -2.116 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.718 174.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 58.2 t -131.36 121.08 47.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1519 ' ' THR . . . . . 0.46 ' O ' ' HD3' ' A' 1521 ' ' PRO . 18.5 m -94.02 116.24 28.65 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 175.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -93.82 105.47 16.96 Favored Pre-proline 0 C--N 1.302 -1.484 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 175.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1521 ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' 1519 ' ' THR . 33.5 Cg_exo -61.73 -24.74 77.96 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.287 2.658 . . . . 0.0 113.891 -176.535 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.6 m -70.55 -28.23 64.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.971 0.415 . . . . 0.0 111.193 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 7.6 p -113.85 -26.62 8.09 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 81.9 15.9 73.97 Favored Glycine 0 CA--C 1.502 -0.755 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 24.3 t60 -96.7 118.92 34.2 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 114.946 -0.627 . . . . 0.0 109.627 -176.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1526 ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' 1517 ' ' GLN . 61.0 tp -86.64 110.26 19.73 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.094 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.709 ' O ' ' HA ' ' A' 1517 ' ' GLN . 98.0 m-85 -78.66 119.57 22.09 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 178.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1528 ' ' ASP . . . . . 0.438 ' HA ' ' O ' ' A' 1516 ' ' CYS . 1.1 p-10 -131.78 149.51 52.45 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 173.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.1 mt -117.42 28.16 8.64 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-O 120.913 0.387 . . . . 0.0 110.463 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 2.5 m -65.2 -33.56 76.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -175.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 27.4 t -70.09 -17.64 63.23 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.458 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 86.5 mt -112.18 7.57 19.57 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.571 0.701 . . . . 0.0 109.399 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 23.0 t -96.37 119.27 34.55 Favored 'General case' 0 N--CA 1.425 -1.713 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -130.93 139.99 11.4 Favored Glycine 0 C--N 1.297 -1.602 0 N-CA-C 110.504 -1.039 . . . . 0.0 110.504 -178.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -71.46 -29.08 64.44 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -176.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1536 ' ' ALA . . . . . 0.438 ' HA ' ' HG2' ' A' 1557 ' ' GLU . . . -87.99 -33.73 18.3 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.505 0.669 . . . . 0.0 110.169 177.142 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 85.74 -164.78 37.85 Favored Glycine 0 N--CA 1.432 -1.584 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.872 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -121.05 129.8 53.5 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 37.8 m -96.42 109.71 22.21 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 173.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -98.16 106.62 18.94 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.074 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1541 ' ' ALA . . . . . 0.492 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -88.59 104.31 16.72 Favored 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 76.7 m-85 . . . . . 0 C--N 1.286 -2.155 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.957 -179.331 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1547 ' ' GLY . . . . . 0.492 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . . . . . . 0 N--CA 1.433 -1.532 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 58.6 t -86.47 117.07 30.26 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1549 ' ' TYR . . . . . 0.449 ' CE2' ' HA ' ' A' 1569 ' ' GLN . 89.9 m-85 -81.98 110.61 17.39 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 105.529 -2.026 . . . . 0.0 105.529 173.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 19.2 ptm -136.33 133.64 37.08 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 118.946 -1.102 . . . . 0.0 112.433 -177.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1551 ' ' SER . . . . . 0.554 ' HB2' ' HB3' ' A' 1556 ' ' ASN . 41.7 t -108.1 148.79 29.34 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 176.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 1.9 mp -99.14 116.32 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.141 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 83.9 m 73.73 55.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.318 1.011 . . . . 0.0 112.83 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 149.36 -162.15 28.95 Favored Glycine 0 N--CA 1.429 -1.793 0 C-N-CA 120.008 -1.092 . . . . 0.0 111.992 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.85 147.04 25.94 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.554 ' HB3' ' HB2' ' A' 1551 ' ' SER . 8.1 p30 -100.01 132.74 45.18 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.383 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1557 ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' 1536 ' ' ALA . 11.4 pt-20 -74.51 4.57 5.83 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -97.96 11.33 37.83 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 175.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 55.9 m -140.98 170.72 8.82 Favored Pre-proline 0 N--CA 1.442 -0.85 0 C-N-CA 126.615 1.966 . . . . 0.0 107.323 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -63.06 124.03 13.25 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.844 1.696 . . . . 0.0 110.169 175.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.26 114.08 1.49 Allowed 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 122.921 2.414 . . . . 0.0 110.93 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 136.45 -31.26 2.61 Favored Glycine 0 N--CA 1.432 -1.625 0 N-CA-C 108.858 -1.697 . . . . 0.0 108.858 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 58.5 t -88.65 131.64 35.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -86.1 -41.53 7.04 Favored Glycine 0 C--O 1.245 0.822 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.229 -176.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -143.74 147.24 33.91 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 63.8 m -129.16 135.23 48.58 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.576 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 67.2 t80 -89.22 114.41 25.74 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 89.76 163.75 39.49 Favored Glycine 0 N--CA 1.428 -1.849 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.782 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1569 ' ' GLN . . . . . 0.449 ' HA ' ' CE2' ' A' 1549 ' ' TYR . 28.8 mm-40 -79.82 3.23 20.26 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.105 0.479 . . . . 0.0 110.758 -178.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 4.2 m -87.04 -2.71 58.83 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.774 177.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 65.52 36.16 6.79 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.503 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 87.9 mt -72.6 115.04 12.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 16.5 p -63.08 124.24 20.63 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -175.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.419 HG23 ' HB3' ' A' 1606 ' ' TYR . 13.3 p -118.1 33.23 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-O 123.469 1.604 . . . . 0.0 108.255 176.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 136.78 142.68 4.47 Favored Glycine 0 N--CA 1.428 -1.896 0 CA-C-N 113.739 -1.573 . . . . 0.0 112.989 175.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.418 ' O ' ' HD1' ' A' 1592 ' ' TYR . 73.3 mmtt -80.88 158.4 25.34 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 175.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -61.49 96.11 0.06 Allowed 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 123.705 0.802 . . . . 0.0 111.236 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -119.0 135.5 54.59 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 177.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.15 29.92 6.26 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.188 0.518 . . . . 0.0 109.912 -175.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -83.01 91.56 7.19 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.872 -177.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' 1588 ' ' LEU . 12.6 mt -75.91 127.54 33.2 Favored 'General case' 0 CA--C 1.498 -1.047 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.004 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -119.52 121.61 39.78 Favored 'General case' 0 C--N 1.285 -2.221 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 173.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 42.8 t80 -95.41 99.34 11.26 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 15.6 m -127.0 123.93 63.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.484 -175.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.7 t70 52.9 52.9 12.98 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 124.373 1.069 . . . . 0.0 112.48 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 38.8 tt0 63.35 23.85 13.95 Favored 'General case' 0 CA--C 1.561 1.37 0 CA-C-N 114.094 -1.412 . . . . 0.0 112.429 173.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1587 ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' 1612 ' ' PHE . 2.6 p -140.33 135.65 36.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 O-C-N 121.916 -0.49 . . . . 0.0 110.621 176.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.583 ' HB3' HD22 ' A' 1581 ' ' LEU . 64.3 mt -86.74 124.31 32.86 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.291 178.15 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -108.43 125.68 52.04 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.021 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 15.7 mt -114.31 132.08 56.3 Favored 'General case' 0 CA--C 1.496 -1.121 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 171.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.5 p -130.34 121.52 51.35 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 CA-C-O 121.463 0.649 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1592 ' ' TYR . . . . . 0.418 ' HD1' ' O ' ' A' 1576 ' ' LYS . 94.4 m-85 -93.42 104.67 16.8 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 177.171 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 67.1 mttm -93.07 158.01 16.0 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.038 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 34.3 t70 68.69 88.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 125.24 1.416 . . . . 0.0 111.489 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1595 ' ' GLY . . . . . 0.47 ' HA3' ' O ' ' A' 1606 ' ' TYR . . . -120.37 -162.33 11.77 Favored Glycine 0 N--CA 1.423 -2.218 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 178.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 34.4 p -76.1 140.4 69.83 Favored Pre-proline 0 C--N 1.293 -1.876 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.81 138.14 67.13 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 123.295 2.664 . . . . 0.0 111.908 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 75.8 m . . . . . 0 C--N 1.301 -1.542 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.959 -177.15 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 98.4 mt . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 18.4 m -136.75 144.04 43.59 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.47 ' O ' ' HA3' ' A' 1595 ' ' GLY . 93.3 m-85 -67.58 123.73 21.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.562 0.539 . . . . 0.0 110.945 -178.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -133.08 161.97 32.97 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 11.2 p -128.06 137.03 52.0 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 75.6 t -122.36 119.72 59.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 53.2 mt -103.49 122.99 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 34.1 t -103.91 105.38 15.55 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 124.688 1.195 . . . . 0.0 109.611 -177.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.535 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 86.8 m-85 -94.5 103.07 15.04 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 37.0 t -91.24 135.98 25.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.772 -173.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1614 ' ' CYS . . . . . 0.611 ' O ' ' HD2' ' A' 1615 ' ' ARG . 1.5 t -60.47 94.4 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.496 1.119 . . . . 0.0 111.676 176.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1615 ' ' ARG . . . . . 0.611 ' HD2' ' O ' ' A' 1614 ' ' CYS . 16.8 mmm180 -133.21 102.12 13.22 Favored Pre-proline 0 C--N 1.306 -1.293 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 176.303 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1616 ' ' PRO . . . . . 0.439 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 63.9 Cg_exo . . . . . 0 CA--C 1.543 0.937 0 C-N-CA 123.181 2.587 . . . . 0.0 112.951 177.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 . . . . . 0 N--CA 1.437 -1.118 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -65.38 122.4 10.08 Favored 'Trans proline' 0 C--O 1.243 0.749 0 C-N-CA 122.705 2.27 . . . . 0.0 112.724 -176.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 21.7 ptp -108.78 143.36 38.03 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.6 tt -88.78 119.02 28.89 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.7 mm -98.92 -50.51 10.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 C-N-CA 121.044 -0.262 . . . . 0.0 111.2 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 12.9 m -137.04 126.78 25.5 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.279 -175.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.73 111.05 23.57 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 30.1 t70 -118.57 102.26 8.75 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.901 -0.72 . . . . 0.0 111.684 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 99.1 mttt -84.74 1.07 48.29 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.259 176.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -75.69 -45.3 37.68 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.301 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 60.2 p -105.74 -1.17 24.74 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.502 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.458 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 99.9 m 64.01 55.78 1.51 Allowed 'General case' 0 C--O 1.238 0.488 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.308 -176.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 22.1 m -132.58 125.37 30.31 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.883 -175.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -106.07 122.02 45.32 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -97.18 113.07 24.61 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.622 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -109.19 148.14 31.4 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 28.2 t -134.64 156.36 48.87 Favored 'General case' 0 N--CA 1.42 -1.967 0 CA-C-N 118.734 0.697 . . . . 0.0 110.744 -178.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -140.14 137.66 34.62 Favored 'General case' 0 N--CA 1.423 -1.795 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -103.91 105.78 16.08 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.4 t -140.72 146.52 44.76 Favored Pre-proline 0 C--N 1.314 -0.951 0 CA-C-O 121.262 0.553 . . . . 0.0 111.778 -175.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.439 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 60.4 Cg_endo -75.79 -10.47 19.97 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 123.192 2.594 . . . . 0.0 110.973 173.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 98.0 mt -80.53 -3.86 51.74 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.948 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -113.22 27.11 9.87 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 121.441 0.639 . . . . 0.0 109.889 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.428 -1.535 0 C-N-CA 119.702 -0.799 . . . . 0.0 111.03 -177.781 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 96.5 m . . . . . 0 C--O 1.247 0.929 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -141.19 134.45 29.53 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 174.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 98.6 t -138.26 131.61 41.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 43.1 m -104.05 126.82 51.47 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 175.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 31.7 t30 -96.18 106.39 28.35 Favored Pre-proline 0 C--N 1.312 -1.046 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.24 -27.64 81.39 Favored 'Trans proline' 0 N--CA 1.48 0.694 0 C-N-CA 123.781 2.988 . . . . 0.0 114.353 -175.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 15.9 m -57.17 -53.14 61.41 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 120.84 0.352 . . . . 0.0 111.55 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 5.3 p -103.13 -18.33 14.99 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 121.118 0.485 . . . . 0.0 112.185 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 85.52 14.88 67.26 Favored Glycine 0 N--CA 1.44 -1.039 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -86.71 134.84 33.56 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.98 0.419 . . . . 0.0 110.148 -177.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.5 tt -99.63 129.99 45.82 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.465 ' HB3' HD11 ' A' 1588 ' ' LEU . 82.7 m-85 -101.76 125.78 48.49 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -120.79 124.96 46.35 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 123.49 0.494 . . . . 0.0 109.674 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 91.4 mt -115.56 4.59 14.22 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.187 0.518 . . . . 0.0 110.312 173.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 22.3 t -72.95 -28.28 62.33 Favored 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -177.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 18.8 m -69.55 -4.92 21.07 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.784 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 94.5 mt -111.52 12.01 21.34 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1533 ' ' SER . . . . . 0.63 ' HA ' ' O ' ' A' 1552 ' ' ILE . 25.9 t -74.88 160.26 30.86 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.067 0.46 . . . . 0.0 110.367 -179.11 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -175.88 136.56 3.36 Favored Glycine 0 N--CA 1.421 -2.338 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -73.75 -33.47 64.31 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 117.17 0.485 . . . . 0.0 111.083 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -89.74 -24.25 21.58 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 60.32 -113.86 5.88 Favored Glycine 0 CA--C 1.499 -0.967 0 CA-C-N 114.479 -1.237 . . . . 0.0 112.221 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 87.7 t80 -156.96 132.25 9.15 Favored 'General case' 0 N--CA 1.428 -1.569 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 176.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 29.4 m -98.23 107.0 19.36 Favored 'General case' 0 N--CA 1.424 -1.736 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 176.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -83.41 118.48 23.75 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -66.44 131.25 45.64 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.089 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 36.2 t80 . . . . . 0 C--N 1.295 -1.791 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -178.535 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.065 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 51.8 t -98.68 116.26 41.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -83.72 104.76 14.09 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.3 ptm -129.75 136.25 49.42 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 120.256 -0.578 . . . . 0.0 112.042 -176.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 74.9 m -116.83 146.0 43.17 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.701 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1552 ' ' ILE . . . . . 0.63 ' O ' ' HA ' ' A' 1533 ' ' SER . 2.4 mp -97.58 123.03 49.77 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 75.1 m 62.51 67.39 0.72 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 123.772 0.67 . . . . 0.0 112.366 177.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.23 -170.08 26.71 Favored Glycine 0 N--CA 1.429 -1.8 0 C-N-CA 120.245 -0.979 . . . . 0.0 111.653 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.79 156.61 16.77 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -96.7 141.74 29.57 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -89.67 4.46 49.44 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-O 121.747 0.784 . . . . 0.0 111.673 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 14.5 m120 -76.98 -20.59 55.9 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 175.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1559 ' ' CYS . . . . . 0.506 ' HB3' ' HD2' ' A' 1560 ' ' PRO . 74.1 m -132.07 174.36 4.8 Favored Pre-proline 0 N--CA 1.429 -1.517 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.377 -176.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1560 ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 39.1 Cg_exo -48.83 137.63 27.32 Favored 'Trans proline' 0 C--N 1.366 1.448 0 C-N-CA 122.968 2.446 . . . . 0.0 112.549 174.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1561 ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 53.2 Cg_exo -57.13 107.49 0.29 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.01 2.473 . . . . 0.0 111.448 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 140.75 -21.36 2.69 Favored Glycine 0 N--CA 1.436 -1.33 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 42.6 t -87.11 136.76 22.27 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 176.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -99.56 -23.89 10.61 Favored Glycine 0 C--N 1.315 -0.604 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.619 -177.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -155.03 140.48 17.79 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 120.699 0.285 . . . . 0.0 110.36 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 67.2 m -125.68 133.67 52.09 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.378 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 60.7 t80 -96.44 119.86 35.69 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.505 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 79.91 176.93 50.08 Favored Glycine 0 N--CA 1.434 -1.48 0 CA-C-N 115.472 -0.785 . . . . 0.0 114.195 171.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -76.55 -14.77 59.99 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 14.7 m -71.65 -12.54 61.39 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.894 175.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 61.0 35.89 18.8 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 124.74 1.216 . . . . 0.0 112.129 172.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 76.1 mt -71.4 130.72 35.08 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.293 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 5.0 p -70.29 110.68 5.39 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-O 121.736 0.779 . . . . 0.0 110.635 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.505 HG23 ' HB3' ' A' 1606 ' ' TYR . 7.8 p -107.66 17.59 6.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.106 0 CA-C-O 122.373 1.083 . . . . 0.0 109.599 -176.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 168.35 138.27 2.43 Favored Glycine 0 N--CA 1.428 -1.864 0 CA-C-N 114.858 -1.065 . . . . 0.0 112.892 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 27.9 tptp -85.55 140.82 30.32 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -59.01 129.79 43.87 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 123.869 0.73 . . . . 0.0 110.146 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1578 ' ' ASN . . . . . 0.418 HD21 ' HB3' ' A' 1580 ' ' ARG . 36.4 t30 -152.02 147.84 27.0 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -174.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 61.1 mttp -126.86 22.09 6.83 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.204 0.526 . . . . 0.0 109.788 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1580 ' ' ARG . . . . . 0.418 ' HB3' HD21 ' A' 1578 ' ' ASN . 29.2 ttm180 -75.04 97.32 3.38 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.16 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' 1588 ' ' LEU . 1.4 tt -84.88 119.6 25.52 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -175.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -105.22 124.29 49.28 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1583 ' ' TYR . . . . . 0.481 ' CE1' ' HA ' ' A' 1586 ' ' GLN . 58.7 t80 -94.5 105.86 17.83 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 175.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 4.4 p -131.42 113.33 23.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-O 121.482 0.658 . . . . 0.0 112.082 -175.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 35.8 t70 57.3 47.0 17.55 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.626 1.17 . . . . 0.0 110.378 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1586 ' ' GLN . . . . . 0.481 ' HA ' ' CE1' ' A' 1583 ' ' TYR . 50.2 mt-30 69.05 -1.23 2.16 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 114.341 -1.3 . . . . 0.0 113.803 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 47.8 t -107.26 141.24 22.97 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 -178.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.516 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 85.0 mt -90.48 142.59 27.59 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -134.25 128.38 33.75 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.108 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 58.3 mt -116.97 127.33 54.09 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 171.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 9.7 p -124.24 133.77 68.43 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.206 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.594 -176.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -111.43 94.87 5.19 Favored 'General case' 0 N--CA 1.425 -1.724 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 97.2 mttt -95.27 -167.84 1.69 Allowed 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 61.34 38.91 15.93 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -87.51 -163.03 38.55 Favored Glycine 0 N--CA 1.434 -1.451 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.757 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 8.0 t -63.1 145.01 97.14 Favored Pre-proline 0 CA--C 1.562 1.436 0 C-N-CA 124.147 0.979 . . . . 0.0 110.317 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -70.67 127.54 14.0 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.931 2.421 . . . . 0.0 112.229 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 57.6 m . . . . . 0 C--N 1.306 -1.289 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.85 -177.327 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.424 -1.769 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 57.6 m -159.52 121.77 3.43 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.507 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.564 ' CD2' ' HB3' ' A' 1634 ' ' CYS . 47.0 m-85 -68.19 132.96 48.09 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 170.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1607 ' ' LYS . . . . . 0.562 ' O ' ' HA ' ' A' 1635 ' ' THR . 8.8 ptmm? -146.61 129.62 16.41 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.449 -176.506 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 23.1 m -108.61 132.31 54.0 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.079 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 80.9 t -114.22 116.9 53.96 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 51.5 mt -104.31 115.99 47.26 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 23.0 t -101.88 115.34 30.33 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.516 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 92.1 m-85 -93.93 107.01 18.96 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -178.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 50.3 t -94.28 143.08 12.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.689 -175.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1614 ' ' CYS . . . . . 0.421 ' SG ' ' HD3' ' A' 1616 ' ' PRO . 5.8 t -58.12 116.94 3.86 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 124.578 1.151 . . . . 0.0 112.125 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -140.29 78.97 22.05 Favored Pre-proline 0 C--N 1.314 -0.945 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 176.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1616 ' ' PRO . . . . . 0.421 ' HD3' ' SG ' ' A' 1614 ' ' CYS . 29.5 Cg_exo . . . . . 0 N--CA 1.475 0.44 0 C-N-CA 123.188 2.592 . . . . 0.0 113.158 -176.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 . . . . . 0 C--O 1.238 0.485 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -76.29 122.72 6.74 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.456 2.104 . . . . 0.0 112.77 -177.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 92.8 mtp -104.05 135.04 46.3 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 177.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.6 tt -88.2 117.48 27.13 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 51.1 mm -93.73 -54.67 6.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.381 -176.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.3 m -137.34 132.21 33.27 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.42 HD22 ' HG ' ' A' 1636 ' ' LEU . 0.3 OUTLIER -108.33 95.69 5.84 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 178.879 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 13.6 t70 -91.41 107.18 19.02 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.018 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 67.4 mttm -84.55 1.03 47.74 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.473 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -91.34 -45.54 8.53 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.751 -174.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 28.0 p -113.83 10.28 17.74 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.5 0.666 . . . . 0.0 110.522 177.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.564 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 61.6 m 57.61 48.08 14.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.454 -1.248 . . . . 0.0 112.246 175.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1635 ' ' THR . . . . . 0.562 ' HA ' ' O ' ' A' 1607 ' ' LYS . 74.4 m -114.55 123.33 49.1 Favored 'General case' 0 N--CA 1.423 -1.825 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.42 ' HG ' HD22 ' A' 1629 ' ' LEU . 6.1 mp -106.0 125.41 50.96 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -99.36 115.38 29.07 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.27 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -111.85 134.73 53.22 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 177.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 30.7 t -109.26 128.12 54.82 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -118.03 135.5 54.14 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 44.4 m170 -105.34 110.01 22.21 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 6.6 t -140.36 143.94 35.16 Favored Pre-proline 0 CA--C 1.545 0.759 0 CA-C-O 121.304 0.573 . . . . 0.0 111.051 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -75.0 -10.04 21.04 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 123.414 2.743 . . . . 0.0 111.319 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 95.2 mt -80.31 -14.05 58.69 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.471 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -101.92 16.31 26.36 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.416 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 15.0 t . . . . . 0 N--CA 1.422 -1.872 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.554 -176.285 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1516 ' ' CYS . . . . . 0.494 ' HA ' ' HB2' ' A' 1581 ' ' LEU . 79.5 m . . . . . 0 C--O 1.241 0.653 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.44 ' HB2' HD11 ' A' 1526 ' ' LEU . 12.2 pt20 -139.89 129.54 24.43 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 174.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 60.8 t -120.41 128.1 75.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1519 ' ' THR . . . . . 0.451 ' O ' ' HD3' ' A' 1521 ' ' PRO . 7.4 m -102.36 121.37 42.17 Favored 'General case' 0 C--N 1.282 -2.328 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 177.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 44.7 t30 -97.22 104.98 21.7 Favored Pre-proline 0 C--N 1.31 -1.144 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 175.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1521 ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' A' 1519 ' ' THR . 34.8 Cg_exo -61.69 -16.72 50.37 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.689 2.926 . . . . 0.0 114.017 -175.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 15.5 m -67.49 -44.13 79.27 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.714 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 18.7 p -112.28 -5.82 14.13 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.314 0.578 . . . . 0.0 112.12 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 71.21 22.91 78.54 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.895 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 31.5 m170 -94.87 131.24 40.98 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 120.96 0.409 . . . . 0.0 111.871 -176.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1526 ' ' LEU . . . . . 0.44 HD11 ' HB2' ' A' 1517 ' ' GLN . 58.5 tp -97.42 108.87 21.68 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -92.95 112.93 25.06 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -126.49 160.24 31.13 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 92.9 mt -120.34 28.57 7.95 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 10.6 m -61.51 -38.99 89.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.766 0.317 . . . . 0.0 111.509 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 14.6 m -61.81 -22.59 65.6 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 122.966 0.507 . . . . 0.0 112.257 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 4.4 pp -120.28 16.51 12.28 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.34 0.591 . . . . 0.0 111.823 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 30.8 t -90.08 120.35 31.19 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -140.53 127.27 3.41 Favored Glycine 0 N--CA 1.421 -2.356 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1535 ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' 1556 ' ' ASN . 10.2 ptp180 -83.2 -17.9 41.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.133 0.492 . . . . 0.0 111.479 -178.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -72.66 -33.14 66.36 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 175.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 88.45 -165.87 34.24 Favored Glycine 0 N--CA 1.411 -3.002 0 CA-C-N 113.926 -1.488 . . . . 0.0 112.732 174.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -133.1 135.25 45.15 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1539 ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' 1548 ' ' VAL . 18.0 m -105.79 107.61 18.69 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -83.47 129.76 34.99 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -75.98 111.95 11.89 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.578 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 57.6 t80 . . . . . 0 C--N 1.296 -1.737 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.655 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.416 -2.665 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1548 ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' 1539 ' ' THR . 7.7 p -83.13 113.63 22.6 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.314 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -91.95 104.7 17.08 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 17.0 ptm -119.46 119.86 35.14 Favored 'General case' 0 C--N 1.279 -2.458 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.339 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 48.4 t -88.8 147.26 24.52 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.84 98.97 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.696 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 22.8 t 68.07 59.36 0.44 Allowed 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.934 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 169.29 173.71 37.13 Favored Glycine 0 N--CA 1.432 -1.597 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -81.29 135.99 35.75 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 178.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' 1535 ' ' ARG . 21.2 t-20 -78.85 129.49 34.63 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 120.689 0.281 . . . . 0.0 110.966 -175.222 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -65.81 -15.66 63.09 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 7.2 t30 -93.32 -11.48 32.31 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 122.048 0.927 . . . . 0.0 108.712 177.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1559 ' ' CYS . . . . . 0.421 ' HB3' ' HB ' ' A' 1563 ' ' VAL . 70.8 m -103.64 155.87 36.32 Favored Pre-proline 0 C--N 1.299 -1.602 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.132 -177.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -61.09 125.73 17.76 Favored 'Trans proline' 0 C--O 1.248 1.009 0 C-N-CA 122.475 2.116 . . . . 0.0 109.778 173.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -39.22 114.17 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 124.954 3.769 . . . . 0.0 113.395 -177.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 127.83 -27.91 4.52 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 -177.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1563 ' ' VAL . . . . . 0.421 ' HB ' ' HB3' ' A' 1559 ' ' CYS . 61.9 t -88.64 141.01 14.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.039 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -105.21 -25.84 6.54 Favored Glycine 0 N--CA 1.441 -0.978 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.594 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -144.95 134.04 22.68 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 120.803 0.335 . . . . 0.0 110.735 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 79.7 m -129.21 133.89 47.75 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.85 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 50.0 t80 -95.5 114.08 25.81 Favored 'General case' 0 N--CA 1.42 -1.939 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 82.9 169.61 44.71 Favored Glycine 0 N--CA 1.44 -1.099 0 CA-C-N 115.72 -0.673 . . . . 0.0 113.537 175.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -70.57 -15.52 62.77 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.598 0.713 . . . . 0.0 109.307 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 14.4 m -65.66 -16.14 63.46 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 114.616 -1.175 . . . . 0.0 109.785 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 62.6 36.73 13.51 Favored 'General case' 0 CA--C 1.505 -0.77 0 C-N-CA 125.378 1.471 . . . . 0.0 112.155 176.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.76 114.0 5.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 11.1 p -64.52 117.77 7.83 Favored 'General case' 0 N--CA 1.428 -1.533 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.525 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' 1606 ' ' TYR . 11.2 p -120.32 36.37 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 CA-C-O 123.371 1.558 . . . . 0.0 108.536 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1575 ' ' GLY . . . . . 0.488 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 148.44 132.43 2.16 Favored Glycine 0 N--CA 1.416 -2.65 0 CA-C-N 114.054 -1.43 . . . . 0.0 113.366 177.1 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 48.0 tptt -75.29 157.57 34.17 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 174.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -67.38 79.27 0.16 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.44 0.638 . . . . 0.0 111.649 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.5 148.6 23.33 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.222 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1579 ' ' LYS . . . . . 0.441 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 17.7 pttp -146.01 33.35 1.01 Allowed 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 122.39 1.09 . . . . 0.0 109.907 -178.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -94.86 94.67 8.19 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 114.006 -1.452 . . . . 0.0 109.235 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.676 HD11 ' HB3' ' A' 1588 ' ' LEU . 33.0 tp -81.57 130.0 34.89 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.351 -175.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1582 ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' 1588 ' ' LEU . 97.3 mtt180 -112.36 141.17 46.41 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 68.9 t80 -111.85 99.86 8.46 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 174.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 12.9 m -131.67 119.19 41.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.679 -174.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 19.7 m-20 61.37 39.4 15.32 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.576 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 58.84 37.61 24.8 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.693 -1.139 . . . . 0.0 111.445 -176.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 63.2 t -135.3 134.29 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 175.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.676 ' HB3' HD11 ' A' 1581 ' ' LEU . 93.2 mt -89.51 132.47 35.04 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 175.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -124.9 130.65 52.79 Favored 'General case' 0 C--N 1.283 -2.319 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.468 -175.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 61.4 mt -119.64 123.2 43.27 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 172.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 65.9 t -112.05 114.11 46.11 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1592 ' ' TYR . . . . . 0.488 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 76.8 m-85 -94.04 89.54 6.08 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.087 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 25.5 pttm -99.89 169.39 9.25 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.536 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 38.0 t70 68.44 92.89 0.08 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.925 1.29 . . . . 0.0 112.489 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -135.57 -129.38 2.85 Favored Glycine 0 N--CA 1.422 -2.259 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 28.8 m -83.02 143.67 46.22 Favored Pre-proline 0 C--N 1.287 -2.123 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.8 143.01 44.69 Favored 'Trans proline' 0 C--O 1.241 0.658 0 C-N-CA 122.522 2.148 . . . . 0.0 111.222 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 59.1 m . . . . . 0 C--N 1.309 -1.185 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.172 -178.272 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--O 1.239 0.548 0 CA-C-O 121.189 0.519 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 11.3 t -144.88 147.41 32.75 Favored 'General case' 0 N--CA 1.416 -2.138 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.447 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 98.4 m-85 -66.25 120.32 13.04 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 123.933 0.77 . . . . 0.0 110.036 178.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -135.02 158.65 43.81 Favored 'General case' 0 C--O 1.25 1.103 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.551 -176.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 33.7 t -125.4 135.34 52.29 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.84 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 86.6 t -115.59 116.02 51.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 54.2 mt -104.57 118.49 51.94 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 10.9 t -105.29 108.91 20.67 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.513 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 84.3 m-85 -89.52 99.93 12.83 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 123.274 0.63 . . . . 0.0 109.339 -179.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 47.1 t -92.86 135.69 27.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.196 -177.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1614 ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' 1642 ' ' THR . 24.3 m -66.34 115.29 6.12 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 123.722 0.809 . . . . 0.0 110.16 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -148.76 117.59 3.97 Favored Pre-proline 0 C--N 1.309 -1.185 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo . . . . . 0 N--CA 1.485 1.006 0 C-N-CA 123.323 2.682 . . . . 0.0 113.088 177.784 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 . . . . . 0 N--CA 1.431 -1.403 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -73.59 122.05 7.55 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 121.413 1.409 . . . . 0.0 109.701 175.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 14.1 tpt -111.66 131.66 55.13 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.9 tt -78.11 117.34 19.31 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 -178.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.9 mm -96.8 -47.36 12.76 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.317 -175.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1628 ' ' SER . . . . . 0.409 ' HB2' ' CD2' ' A' 1637 ' ' PHE . 21.1 m -137.91 126.81 24.01 Favored 'General case' 0 C--N 1.31 -1.151 0 O-C-N 122.105 -0.372 . . . . 0.0 110.076 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.25 109.59 21.47 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.7 t70 -117.71 107.86 14.7 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.154 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -84.29 -17.64 38.97 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -67.99 -50.59 54.74 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.97 0.414 . . . . 0.0 110.957 -176.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 42.3 p -99.5 4.36 45.97 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.424 0.631 . . . . 0.0 110.51 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.447 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 55.9 m 57.4 43.86 22.5 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.112 1.365 . . . . 0.0 111.481 176.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 28.3 m -120.37 116.15 24.93 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-O 121.062 0.458 . . . . 0.0 110.151 -176.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.8 mp -97.69 118.86 35.17 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1637 ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' A' 1628 ' ' SER . 93.4 m-85 -94.56 119.84 33.86 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.797 -177.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -119.41 142.38 48.26 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 29.0 t -117.43 142.3 47.3 Favored 'General case' 0 N--CA 1.408 -2.533 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1640 ' ' TRP . . . . . 0.45 ' O ' ' HA ' ' A' 1612 ' ' PHE . 4.8 t-105 -125.86 135.88 52.45 Favored 'General case' 0 N--CA 1.415 -2.18 0 N-CA-C 105.315 -2.105 . . . . 0.0 105.315 176.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -109.26 109.06 19.88 Favored 'General case' 0 C--N 1.279 -2.496 0 CA-C-O 121.236 0.541 . . . . 0.0 111.097 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1642 ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' 1614 ' ' CYS . 8.8 t -130.59 143.87 51.05 Favored Pre-proline 0 N--CA 1.426 -1.659 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.593 -175.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -83.87 0.78 9.18 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.713 2.275 . . . . 0.0 111.117 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.6 mt -91.97 -5.66 52.65 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.365 -178.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -79.57 -17.43 53.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.355 0.598 . . . . 0.0 111.536 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 60.4 m . . . . . 0 C--N 1.302 -1.475 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.123 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.257 1.448 0 CA-C-O 122.32 1.057 . . . . 0.0 108.617 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.568 ' HB3' HD11 ' A' 1526 ' ' LEU . 73.6 mt-30 -136.78 143.38 43.19 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 114.24 -1.345 . . . . 0.0 109.737 -176.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 59.1 t -128.93 117.76 45.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.925 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 23.9 m -94.71 112.47 24.21 Favored 'General case' 0 N--CA 1.425 -1.722 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 174.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -95.69 118.61 65.94 Favored Pre-proline 0 C--N 1.295 -1.777 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -66.97 -18.22 51.92 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.158 2.572 . . . . 0.0 114.352 -174.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 19.6 m -78.56 -44.74 23.44 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.196 0.522 . . . . 0.0 110.476 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 25.1 p -83.24 -39.49 20.84 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-O 121.876 0.846 . . . . 0.0 110.312 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 87.91 10.11 69.98 Favored Glycine 0 N--CA 1.432 -1.608 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.505 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -106.65 140.21 39.87 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-O 121.181 0.515 . . . . 0.0 110.67 -174.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1526 ' ' LEU . . . . . 0.568 HD11 ' HB3' ' A' 1517 ' ' GLN . 51.8 tp -89.33 110.94 21.67 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 114.699 -1.137 . . . . 0.0 108.497 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -88.56 129.17 35.54 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.4 t70 -128.78 132.5 47.88 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 123.592 0.558 . . . . 0.0 112.094 -173.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1529 ' ' LEU . . . . . 0.478 HD22 HD12 ' A' 1532 ' ' LEU . 82.2 mt -121.1 21.51 11.24 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.723 177.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 63.8 p -64.4 -32.26 73.81 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 17.2 m -70.23 -15.4 62.91 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.119 0.485 . . . . 0.0 110.966 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1532 ' ' LEU . . . . . 0.478 HD12 HD22 ' A' 1529 ' ' LEU . 94.2 mt -101.2 -19.43 15.72 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.529 177.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1533 ' ' SER . . . . . 0.549 ' HA ' ' O ' ' A' 1552 ' ' ILE . 23.3 t -66.95 143.12 57.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.124 -178.126 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1534 ' ' GLY . . . . . 0.447 ' O ' ' HB3' ' A' 1551 ' ' SER . . . -169.5 146.79 10.39 Favored Glycine 0 N--CA 1.435 -1.392 0 N-CA-C 110.064 -1.215 . . . . 0.0 110.064 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -84.69 -33.63 23.14 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -77.0 -34.71 57.49 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.632 0.729 . . . . 0.0 110.143 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 76.11 -146.95 34.07 Favored Glycine 0 N--CA 1.436 -1.361 0 CA-C-N 114.64 -1.164 . . . . 0.0 113.897 173.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -132.87 136.01 45.95 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 90.3 m -110.02 118.75 37.26 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -118.87 118.68 32.2 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1541 ' ' ALA . . . . . 0.423 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -94.16 115.9 28.24 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.444 -178.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 47.5 m-85 . . . . . 0 C--N 1.304 -1.391 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.562 176.579 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1547 ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . . . . . . 0 N--CA 1.427 -1.91 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 11.8 p -95.5 122.0 46.58 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 CA-C-O 121.452 0.644 . . . . 0.0 109.515 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -104.61 104.38 14.19 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.6 ptm -134.35 133.29 40.48 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 121.105 0.479 . . . . 0.0 112.092 -172.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1551 ' ' SER . . . . . 0.447 ' HB3' ' O ' ' A' 1534 ' ' GLY . 72.9 m -111.52 154.85 24.16 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 176.119 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1552 ' ' ILE . . . . . 0.549 ' O ' ' HA ' ' A' 1533 ' ' SER . 50.0 mm -100.07 114.78 39.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.138 -176.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1553 ' ' CYS . . . . . 0.478 ' SG ' ' HB2' ' A' 1579 ' ' LYS . 25.9 t 66.28 61.46 0.59 Allowed 'General case' 0 C--O 1.251 1.158 0 O-C-N 124.257 0.973 . . . . 0.0 110.958 171.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 159.85 -161.32 32.26 Favored Glycine 0 N--CA 1.434 -1.487 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.689 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.68 150.33 22.86 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 122.517 0.327 . . . . 0.0 110.695 178.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 9.3 p30 -103.26 147.43 27.06 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.49 -177.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -91.12 4.64 51.67 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.194 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 15.9 m120 -85.04 -7.87 58.94 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 122.072 0.939 . . . . 0.0 108.533 -178.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 78.3 m -145.22 174.82 3.13 Favored Pre-proline 0 C--N 1.293 -1.89 0 N-CA-C 104.706 -2.331 . . . . 0.0 104.706 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -59.9 125.93 19.02 Favored 'Trans proline' 0 C--O 1.251 1.163 0 C-N-CA 121.288 1.326 . . . . 0.0 110.951 174.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -51.96 115.61 2.25 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 123.159 2.573 . . . . 0.0 111.033 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 148.83 -33.25 1.17 Allowed Glycine 0 C--N 1.295 -1.742 0 N-CA-C 107.126 -2.39 . . . . 0.0 107.126 -176.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 44.0 t -84.89 137.09 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 173.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -89.24 -40.74 6.02 Favored Glycine 0 N--CA 1.44 -1.077 0 N-CA-C 111.71 -0.556 . . . . 0.0 111.71 -177.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -150.14 143.83 25.3 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.732 0.301 . . . . 0.0 110.314 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 83.3 m -122.19 133.66 54.72 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 68.9 t80 -114.63 127.2 55.65 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -178.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 103.81 153.92 23.54 Favored Glycine 0 N--CA 1.429 -1.821 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.739 175.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -60.57 -26.55 67.01 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 123.544 0.738 . . . . 0.0 111.474 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.6 m -85.46 -2.16 57.83 Favored 'General case' 0 CA--C 1.56 1.365 0 CA-C-O 121.815 0.817 . . . . 0.0 111.11 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 63.81 57.92 1.31 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.229 1.411 . . . . 0.0 112.393 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 68.4 mt -74.23 121.07 24.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 33.1 p -64.74 118.49 9.02 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-O 121.182 0.515 . . . . 0.0 110.86 -178.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1574 ' ' VAL . . . . . . . . . . . . . 13.3 p -113.64 29.33 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.253 0 CA-C-O 122.785 1.279 . . . . 0.0 109.657 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 144.94 150.84 5.3 Favored Glycine 0 N--CA 1.419 -2.484 0 CA-C-N 114.771 -1.104 . . . . 0.0 113.58 173.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -83.89 159.56 21.3 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 124.273 1.029 . . . . 0.0 108.758 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -61.32 89.63 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 124.106 0.962 . . . . 0.0 111.854 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.46 131.83 53.18 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1579 ' ' LYS . . . . . 0.478 ' HB2' ' SG ' ' A' 1553 ' ' CYS . 52.9 pttt -132.2 32.96 3.92 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-O 122.496 1.141 . . . . 0.0 110.628 176.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -90.46 92.71 8.99 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 173.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 1.5 tt -74.74 127.44 33.14 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 114.533 -1.212 . . . . 0.0 108.183 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -108.15 140.78 40.87 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.473 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 62.6 t80 -117.47 99.74 7.19 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 173.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 16.5 m -133.24 130.75 57.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.631 -175.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 22.2 m-20 56.84 36.32 27.55 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.644 0.778 . . . . 0.0 111.474 -177.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 62.39 29.09 17.16 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-N 114.732 -1.122 . . . . 0.0 112.084 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 79.6 t -127.05 139.65 51.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 177.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.496 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 95.9 mt -90.5 130.55 36.54 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 175.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -126.62 135.4 51.16 Favored 'General case' 0 C--N 1.288 -2.078 0 CA-C-O 120.963 0.411 . . . . 0.0 111.423 -175.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 82.5 mt -121.15 123.59 42.65 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 171.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 5.7 p -124.0 118.65 54.59 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.935 0 CA-C-O 121.2 0.524 . . . . 0.0 110.938 -177.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1592 ' ' TYR . . . . . 0.424 ' HB2' ' OG ' ' A' 1608 ' ' SER . 81.4 m-85 -96.64 107.73 20.22 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 176.37 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.47 170.85 8.01 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.66 -177.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 38.7 t70 70.21 45.9 0.64 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.739 1.216 . . . . 0.0 110.985 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -87.77 -138.3 5.83 Favored Glycine 0 N--CA 1.434 -1.441 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1596 ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 70.5 m -69.58 133.15 88.93 Favored Pre-proline 0 C--N 1.304 -1.403 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 177.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1597 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' 1596 ' ' SER . 27.3 Cg_exo -64.15 140.15 70.09 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.845 2.363 . . . . 0.0 111.375 178.304 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 60.9 m . . . . . 0 C--N 1.303 -1.448 0 C-N-CA 122.965 0.506 . . . . 0.0 111.005 -178.554 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 70.5 mt . . . . . 0 C--O 1.243 0.743 0 CA-C-O 121.393 0.616 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 37.5 m -129.59 149.9 51.15 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 175.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.503 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 98.1 m-85 -66.12 126.41 28.56 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 123.276 0.36 . . . . 0.0 110.957 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -122.5 147.98 45.71 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.426 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1608 ' ' SER . . . . . 0.424 ' OG ' ' HB2' ' A' 1592 ' ' TYR . 5.5 p -111.69 120.02 40.62 Favored 'General case' 0 C--N 1.284 -2.253 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.525 177.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 88.5 t -108.76 113.88 45.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.395 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 61.7 mt -98.85 114.72 37.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 12.1 t -107.15 113.89 27.61 Favored 'General case' 0 N--CA 1.416 -2.147 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.496 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 93.9 m-85 -90.42 99.11 12.19 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1613 ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' 1641 ' ' HIS . 21.6 t -87.04 136.39 23.09 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1614 ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' A' 1642 ' ' THR . 45.3 t -75.78 122.16 23.64 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.397 0.617 . . . . 0.0 112.574 -174.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -131.58 91.71 33.42 Favored Pre-proline 0 C--N 1.301 -1.532 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 173.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1616 ' ' PRO . . . . . 0.42 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 50.8 Cg_exo . . . . . 0 N--CA 1.482 0.831 0 C-N-CA 123.577 2.851 . . . . 0.0 113.303 -177.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 . . . . . 0 N--CA 1.418 -2.036 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.444 ' HD3' ' CZ3' ' A' 1640 ' ' TRP . 46.1 Cg_endo -68.66 123.11 10.11 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 122.376 2.051 . . . . 0.0 112.538 -176.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 51.3 tpp -131.56 133.8 45.42 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.47 116.72 17.42 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 43.9 mm -107.46 -37.21 3.56 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -175.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 17.0 m -137.86 133.34 33.77 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.212 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.73 115.67 26.06 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -178.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.2 t70 -121.43 106.41 11.4 Favored 'General case' 0 C--N 1.31 -1.129 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.624 177.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -73.35 -32.03 64.29 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -65.66 -49.69 67.7 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -176.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 32.2 p -90.35 3.66 53.07 Favored 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 119.753 -0.779 . . . . 0.0 111.249 178.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.503 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 63.6 m 56.96 47.56 17.45 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.24 177.016 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 23.8 m -125.19 126.57 45.43 Favored 'General case' 0 N--CA 1.424 -1.726 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.566 -175.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.38 119.95 40.81 Favored 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 173.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -94.43 115.65 27.88 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.241 -175.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -109.29 129.6 55.51 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 48.0 m -108.52 134.96 50.57 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-O 120.798 0.332 . . . . 0.0 110.159 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1640 ' ' TRP . . . . . 0.444 ' CZ3' ' HD3' ' A' 1624 ' ' PRO . 2.8 t-105 -129.7 134.02 47.4 Favored 'General case' 0 N--CA 1.427 -1.591 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 175.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1641 ' ' HIS . . . . . 0.47 ' HA ' ' O ' ' A' 1613 ' ' VAL . 18.2 m-70 -111.96 113.16 25.31 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1642 ' ' THR . . . . . 0.547 ' O ' ' HA ' ' A' 1614 ' ' CYS . 11.8 t -138.16 147.15 54.79 Favored Pre-proline 0 C--N 1.305 -1.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.831 -175.215 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.42 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 13.9 Cg_exo -70.82 -13.64 32.15 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.955 2.436 . . . . 0.0 111.747 174.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.37 -13.88 62.6 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.638 0.775 . . . . 0.0 112.641 -176.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -81.88 -7.28 59.59 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.384 0.611 . . . . 0.0 110.587 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 88.2 m . . . . . 0 C--N 1.309 -1.163 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.19 177.559 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.25 1.11 0 CA-C-O 121.563 0.697 . . . . 0.0 109.906 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' A' 1527 ' ' PHE . 19.2 pt20 -158.57 130.47 6.69 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.943 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 52.4 t -112.93 147.79 16.35 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 32.8 m -136.64 123.29 21.05 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -98.01 105.79 30.27 Favored Pre-proline 0 C--N 1.309 -1.193 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.69 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -65.79 -17.94 57.17 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.933 2.422 . . . . 0.0 113.655 -175.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 13.3 m -74.62 -27.59 60.52 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 120.737 0.303 . . . . 0.0 111.456 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 23.5 p -121.69 -23.34 5.57 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 89.54 13.71 60.96 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.459 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 35.8 m80 -85.94 130.38 34.56 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 120.489 0.185 . . . . 0.0 110.622 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.9 tt -113.56 132.27 55.78 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' 1517 ' ' GLN . 83.9 m-85 -123.95 106.54 10.5 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -178.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -121.05 151.65 39.56 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 80.5 mt -117.89 29.29 7.9 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 123.645 0.591 . . . . 0.0 111.185 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1530 ' ' SER . . . . . 0.509 ' HA ' ' OG ' ' A' 1533 ' ' SER . 23.0 t -63.1 -25.79 68.53 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -176.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 42.3 t -72.34 -19.62 61.61 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.469 0.652 . . . . 0.0 110.033 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 82.6 mt -111.48 1.28 16.85 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1533 ' ' SER . . . . . 0.509 ' OG ' ' HA ' ' A' 1530 ' ' SER . 28.2 m -72.39 107.72 5.12 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -154.57 132.45 3.5 Favored Glycine 0 N--CA 1.423 -2.213 0 C-N-CA 120.22 -0.99 . . . . 0.0 111.998 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1535 ' ' ARG . . . . . 0.492 ' O ' ' HA ' ' A' 1556 ' ' ASN . 94.8 mtt180 -77.93 -22.34 49.75 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.147 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -82.73 -25.32 32.99 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 176.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1537 ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 58.45 -121.26 25.71 Favored Glycine 0 CA--C 1.5 -0.894 0 CA-C-N 114.465 -1.243 . . . . 0.0 114.723 172.054 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 68.4 t80 -153.32 149.63 28.07 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 28.1 m -119.61 122.48 41.66 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1540 ' ' ALA . . . . . 0.411 ' O ' HG12 ' A' 1548 ' ' VAL . . . -120.33 140.95 50.52 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 120.809 0.338 . . . . 0.0 110.523 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -110.4 121.84 46.27 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 C--N 1.306 -1.313 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -179.137 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.416 -2.697 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1548 ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' 1540 ' ' ALA . 12.1 p -112.46 120.46 62.71 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 173.124 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -98.86 104.3 16.33 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1550 ' ' MET . . . . . 0.426 ' O ' ' HA3' ' A' 1537 ' ' GLY . 24.4 ptm -119.91 134.41 55.25 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.671 -173.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 39.2 t -100.8 143.51 30.87 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 175.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 2.2 mp -101.64 109.99 27.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 176.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 49.5 t 64.64 50.16 2.17 Favored 'General case' 0 N--CA 1.446 -0.672 0 O-C-N 124.507 1.13 . . . . 0.0 109.637 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . -179.37 -165.23 33.21 Favored Glycine 0 N--CA 1.431 -1.68 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.724 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -114.89 135.66 53.96 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.492 ' HA ' ' O ' ' A' 1535 ' ' ARG . 18.9 t-20 -80.1 135.29 36.29 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.575 0.702 . . . . 0.0 112.638 -170.137 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.1 -20.19 57.01 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.391 1.476 . . . . 0.0 113.59 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -97.21 4.54 51.01 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 65.2 m -125.47 155.61 71.63 Favored Pre-proline 0 C--N 1.296 -1.732 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.77 -175.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -52.19 146.43 31.08 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 123.031 2.488 . . . . 0.0 110.894 173.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -54.42 114.78 1.98 Allowed 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 123.64 2.894 . . . . 0.0 112.657 -177.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 113.85 -11.65 22.84 Favored Glycine 0 N--CA 1.427 -1.939 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.827 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 59.0 t -88.52 126.05 41.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 CA-C-N 117.532 0.666 . . . . 0.0 109.49 177.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -88.62 -29.74 17.82 Favored Glycine 0 CA--C 1.506 -0.505 0 C-N-CA 121.188 -0.529 . . . . 0.0 113.469 -174.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -150.36 139.62 21.28 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 120.806 0.336 . . . . 0.0 110.865 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 75.0 m -126.7 133.12 50.99 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.042 177.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 92.0 t80 -106.94 126.26 52.08 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 123.247 0.619 . . . . 0.0 109.941 -177.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 95.28 166.11 35.27 Favored Glycine 0 N--CA 1.433 -1.561 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.446 174.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -67.04 -23.74 65.92 Favored 'General case' 0 C--O 1.247 0.972 0 C-N-CA 123.028 0.531 . . . . 0.0 111.173 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.3 m -87.69 2.25 51.59 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 121.992 0.901 . . . . 0.0 111.307 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.1 53.18 3.71 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.812 176.287 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 70.7 mt -69.26 117.53 12.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 7.1 p -60.34 110.1 1.16 Allowed 'General case' 0 N--CA 1.436 -1.13 0 CA-C-O 121.511 0.672 . . . . 0.0 110.737 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.56 HG23 ' HB3' ' A' 1606 ' ' TYR . 14.1 p -109.33 17.26 7.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 CA-C-O 122.548 1.166 . . . . 0.0 109.393 -176.003 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1575 ' ' GLY . . . . . 0.475 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 161.45 139.28 2.61 Favored Glycine 0 N--CA 1.424 -2.1 0 CA-C-N 114.675 -1.148 . . . . 0.0 113.072 176.367 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 39.6 tptt -85.15 145.67 27.5 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -59.02 105.57 0.33 Allowed 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 124.117 0.967 . . . . 0.0 112.845 -174.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 33.8 t30 -119.34 131.95 55.79 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 94.0 mttt -116.88 5.54 12.98 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.616 -176.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -78.46 96.87 5.5 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.683 0.754 . . . . 0.0 110.306 -177.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 30.0 mt -75.62 146.55 40.25 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.138 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -125.14 136.84 54.01 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 114.482 -1.236 . . . . 0.0 107.724 174.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1583 ' ' TYR . . . . . 0.533 ' CZ ' ' HA ' ' A' 1586 ' ' GLN . 60.9 t80 -111.86 100.36 8.86 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 175.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 9.4 m -126.1 115.79 43.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.1 -173.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 36.3 t70 57.39 48.33 14.93 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 124.795 1.238 . . . . 0.0 111.574 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1586 ' ' GLN . . . . . 0.533 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 43.1 tt0 64.17 30.66 13.62 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.011 178.082 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 38.2 t -135.52 136.34 50.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.523 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 87.2 mt -92.44 134.95 34.45 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 108.139 -1.059 . . . . 0.0 108.139 174.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -124.72 131.62 53.44 Favored 'General case' 0 C--N 1.29 -2.011 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.494 -177.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 22.2 mt -119.5 123.57 44.32 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 170.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 6.0 p -119.41 116.18 49.99 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 CA-C-O 121.46 0.648 . . . . 0.0 110.629 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1592 ' ' TYR . . . . . 0.475 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 97.4 m-85 -95.24 105.91 17.9 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 176.133 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 58.8 pttt -110.49 -172.99 2.14 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 12.3 m-20 66.83 29.57 8.34 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 122.958 0.503 . . . . 0.0 112.076 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -78.24 -159.28 12.76 Favored Glycine 0 C--O 1.252 1.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.208 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 50.4 m -64.88 134.91 96.19 Favored Pre-proline 0 C--N 1.309 -1.179 0 C-N-CA 122.424 0.29 . . . . 0.0 110.649 178.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -65.53 129.41 22.42 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.26 1.973 . . . . 0.0 108.994 176.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 55.3 m . . . . . 0 C--N 1.311 -1.094 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -177.845 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1604 ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' 1633 ' ' THR . 93.8 mt . . . . . 0 N--CA 1.432 -1.33 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 47.9 m -131.0 152.78 49.94 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.56 ' HB3' HG23 ' A' 1574 ' ' VAL . 47.4 m-85 -58.84 132.09 52.91 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.723 -0.672 . . . . 0.0 112.009 177.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1607 ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' 1635 ' ' THR . 59.0 mtpt -135.77 136.2 40.55 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.5 -177.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 26.0 m -111.81 122.63 48.32 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 99.2 t -111.14 112.23 39.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 53.7 mt -100.53 113.89 37.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 177.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 20.2 t -102.48 111.56 23.91 Favored 'General case' 0 C--N 1.286 -2.165 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.523 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 95.5 m-85 -88.92 110.4 21.06 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.382 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 28.3 m -95.94 141.12 15.84 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.774 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.202 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 34.7 t -63.27 98.83 0.16 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.437 -1.256 . . . . 0.0 111.29 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1615 ' ' ARG . . . . . 0.555 ' NE ' ' HA ' ' A' 1615 ' ' ARG . 1.9 mmp_? -131.13 96.75 21.31 Favored Pre-proline 0 C--N 1.301 -1.519 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.231 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1616 ' ' PRO . . . . . 0.442 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 12.4 Cg_exo . . . . . 0 CA--C 1.532 0.379 0 C-N-CA 123.519 2.813 . . . . 0.0 113.216 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 . . . . . 0 C--O 1.258 1.513 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' 1639 ' ' SER . 83.4 Cg_endo -90.77 148.1 3.99 Favored 'Trans proline' 0 N--CA 1.436 -1.89 0 C-N-CA 122.117 1.878 . . . . 0.0 112.762 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 24.6 mmt -121.67 143.35 49.39 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 173.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.9 tt -86.3 110.48 19.68 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -178.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.8 mm -92.73 -45.15 14.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 CA-C-O 120.941 0.4 . . . . 0.0 111.524 -173.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 21.3 t -142.02 141.26 32.83 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -177.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.455 HD22 ' HG ' ' A' 1636 ' ' LEU . 0.5 OUTLIER -121.03 95.5 4.72 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -178.358 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 16.5 t70 -86.64 105.87 17.2 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 55.1 mttp -77.16 -22.12 53.03 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.526 -175.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -77.81 -46.06 22.66 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -174.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1633 ' ' THR . . . . . 0.436 ' HA ' HD13 ' A' 1604 ' ' LEU . 42.6 p -101.97 6.48 41.25 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 120.937 0.399 . . . . 0.0 111.14 178.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.42 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 60.2 m 57.78 43.68 21.51 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.036 176.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1635 ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' 1607 ' ' LYS . 32.2 m -114.2 122.59 47.25 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.469 -176.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.455 ' HG ' HD22 ' A' 1629 ' ' LEU . 6.3 mp -101.53 128.28 47.85 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.728 179.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -102.42 108.0 19.18 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.889 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -105.95 139.25 40.78 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1639 ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' 1624 ' ' PRO . 21.3 t -119.83 118.65 31.35 Favored 'General case' 0 C--N 1.286 -2.192 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -102.21 142.39 33.53 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 54.6 m80 -109.21 106.16 15.91 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 -174.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 5.9 t -140.18 145.97 44.03 Favored Pre-proline 0 C--N 1.317 -0.845 0 CA-C-O 121.277 0.56 . . . . 0.0 111.11 -175.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1643 ' ' PRO . . . . . 0.442 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 63.6 Cg_endo -75.08 -7.76 19.38 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.14 2.56 . . . . 0.0 111.924 175.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 82.6 mt -81.89 -10.85 59.17 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 120.915 0.388 . . . . 0.0 111.926 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -90.8 -0.34 57.69 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.983 0.897 . . . . 0.0 109.726 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 76.3 m . . . . . 0 C--N 1.3 -1.574 0 CA-C-N 114.761 -1.108 . . . . 0.0 108.976 179.78 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1516 ' ' CYS . . . . . 0.428 ' HA ' ' HB2' ' A' 1581 ' ' LEU . 54.7 m . . . . . 0 C--O 1.249 1.053 0 CA-C-O 122.017 0.913 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' 1527 ' ' PHE . 14.3 pt20 -156.33 129.15 7.84 Favored 'General case' 0 N--CA 1.418 -2.068 0 CA-C-N 114.14 -1.391 . . . . 0.0 107.954 176.416 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 16.2 t -127.16 135.03 64.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -176.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 29.4 m -90.83 116.01 28.33 Favored 'General case' 0 N--CA 1.419 -2.011 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -82.41 111.97 32.64 Favored Pre-proline 0 C--N 1.308 -1.236 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.22 -7.11 20.03 Favored 'Trans proline' 0 C--O 1.24 0.611 0 C-N-CA 122.813 2.342 . . . . 0.0 113.665 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 24.4 t -74.55 -49.24 22.67 Favored 'General case' 0 N--CA 1.433 -1.319 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 38.7 p -108.04 -23.5 11.97 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 92.67 20.68 33.62 Favored Glycine 0 N--CA 1.44 -1.091 0 C-N-CA 121.245 -0.503 . . . . 0.0 111.986 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -101.97 142.95 32.46 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.697 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 51.6 tp -88.98 120.38 30.35 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' 1517 ' ' GLN . 79.7 m-85 -99.33 106.88 19.03 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 177.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -130.09 152.29 49.7 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.444 -172.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 95.6 mt -123.82 28.16 6.99 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.913 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.6 m -68.19 -30.08 69.09 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.082 -177.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 30.1 t -70.11 -23.86 63.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.982 0.42 . . . . 0.0 110.338 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1532 ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' 1552 ' ' ILE . 88.7 mt -98.09 1.38 47.57 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.227 -179.165 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1533 ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' 1552 ' ' ILE . 32.0 t -84.3 142.38 30.25 Favored 'General case' 0 N--CA 1.427 -1.614 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.303 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -168.92 140.73 6.32 Favored Glycine 0 N--CA 1.427 -1.92 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.465 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1535 ' ' ARG . . . . . 0.482 ' HB3' ' HG2' ' A' 1557 ' ' GLU . 15.8 mmt180 -65.68 -29.9 70.51 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 123.076 0.551 . . . . 0.0 112.346 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -82.54 -12.65 57.61 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.381 0.61 . . . . 0.0 110.152 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 55.31 -134.17 48.78 Favored Glycine 0 N--CA 1.441 -1.032 0 CA-C-N 114.673 -1.148 . . . . 0.0 112.948 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 84.5 t80 -152.03 136.37 16.75 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 175.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 23.6 m -100.92 108.69 20.51 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -101.42 106.92 18.12 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -93.91 104.06 16.13 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.222 0.534 . . . . 0.0 110.535 -177.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 88.7 m-85 . . . . . 0 C--N 1.299 -1.59 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.823 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.441 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1548 ' ' VAL . . . . . 0.563 ' HA ' ' O ' ' A' 1566 ' ' CYS . 98.0 t -88.39 107.01 17.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 CA-C-O 121.365 0.603 . . . . 0.0 110.168 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -89.76 104.59 17.14 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 177.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.7 ptp -121.6 142.54 50.01 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.373 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 48.1 t -110.82 132.21 54.39 Favored 'General case' 0 C--N 1.286 -2.181 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 173.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1552 ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' 1533 ' ' SER . 50.4 mm -84.53 109.4 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.789 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 177.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 36.3 t 72.54 92.23 0.08 Allowed 'General case' 0 C--O 1.246 0.872 0 O-C-N 124.3 1.0 . . . . 0.0 111.01 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 119.99 -154.23 16.51 Favored Glycine 0 N--CA 1.428 -1.863 0 C-N-CA 120.216 -0.992 . . . . 0.0 112.314 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -111.02 150.69 28.94 Favored 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 122.924 0.489 . . . . 0.0 110.067 -178.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -99.7 131.78 45.47 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -176.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1557 ' ' GLU . . . . . 0.482 ' HG2' ' HB3' ' A' 1535 ' ' ARG . 18.0 mm-40 -72.08 -13.81 61.68 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 123.199 0.312 . . . . 0.0 111.406 -178.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 10.7 m120 -87.01 -0.76 57.15 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.961 0.886 . . . . 0.0 109.004 176.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 72.3 m -121.12 163.9 27.09 Favored Pre-proline 0 C--N 1.298 -1.671 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.984 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1560 ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' 1561 ' ' PRO . 72.9 Cg_exo -56.45 150.94 48.24 Favored 'Trans proline' 0 CA--C 1.55 1.315 0 C-N-CA 122.546 2.164 . . . . 0.0 110.95 174.019 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1561 ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 33.9 Cg_exo -59.97 114.69 2.19 Favored 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 122.994 2.463 . . . . 0.0 111.869 -176.566 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 110.19 -12.17 31.36 Favored Glycine 0 N--CA 1.432 -1.581 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.344 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 67.2 t -89.81 130.94 38.29 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -102.09 -26.51 7.4 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.807 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -142.43 129.94 21.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.716 0.293 . . . . 0.0 111.064 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1566 ' ' CYS . . . . . 0.563 ' O ' ' HA ' ' A' 1548 ' ' VAL . 76.0 m -121.43 133.81 55.08 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.074 178.212 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 90.2 t80 -109.56 139.13 44.95 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 86.61 164.47 39.83 Favored Glycine 0 N--CA 1.425 -2.077 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.221 176.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -73.85 -19.59 60.69 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.3 m -78.52 -6.78 56.41 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.108 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 65.2 48.38 2.2 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 124.004 0.922 . . . . 0.0 111.404 176.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 74.8 mt -73.96 121.08 24.29 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.184 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 10.1 p -63.76 112.08 2.71 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.334 0.587 . . . . 0.0 112.483 -178.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1574 ' ' VAL . . . . . . . . . . . . . 26.9 m -116.98 18.13 7.26 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-O 121.915 0.865 . . . . 0.0 110.07 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . -173.71 122.69 0.92 Allowed Glycine 0 N--CA 1.422 -2.275 0 CA-C-N 114.924 -1.034 . . . . 0.0 111.749 178.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 25.5 tptp -87.45 141.19 28.82 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -60.91 101.85 0.17 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -174.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -125.31 164.51 20.19 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 20.0 pttp -133.06 26.74 4.24 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.77 0.795 . . . . 0.0 110.278 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -77.29 94.67 4.2 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-N 114.539 -1.209 . . . . 0.0 110.6 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.518 HD21 ' HB3' ' A' 1588 ' ' LEU . 3.1 tt -98.34 129.39 45.01 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 177.167 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -128.46 142.99 50.92 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 40.7 p90 -95.53 105.86 17.88 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 176.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 6.8 p -119.89 109.94 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.303 0 CA-C-O 121.307 0.575 . . . . 0.0 111.289 -177.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 60.78 44.3 11.19 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.109 0.964 . . . . 0.0 110.657 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 65.31 17.34 10.96 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 114.727 -1.124 . . . . 0.0 112.025 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 99.8 t -115.58 128.44 72.81 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.614 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.518 ' HB3' HD21 ' A' 1581 ' ' LEU . 75.6 mt -83.34 128.2 34.3 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 177.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -118.65 134.75 54.88 Favored 'General case' 0 C--N 1.286 -2.181 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.049 -175.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 42.8 mt -119.65 131.94 55.57 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 170.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 5.3 p -131.99 123.45 51.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 CA-C-O 121.49 0.662 . . . . 0.0 110.965 -178.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -112.36 105.84 14.22 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 22.5 pttp -108.77 177.16 4.86 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.44 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 36.2 m-20 64.97 52.58 1.53 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.917 1.287 . . . . 0.0 113.225 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -88.11 -123.52 1.98 Allowed Glycine 0 N--CA 1.436 -1.331 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 174.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 24.3 m -80.0 151.41 73.19 Favored Pre-proline 0 C--N 1.293 -1.866 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -75.09 133.62 16.67 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.237 1.958 . . . . 0.0 110.143 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 57.3 m . . . . . 0 C--N 1.304 -1.378 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.293 -177.122 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 CA--C 1.499 -1.017 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 9.1 t -134.84 147.18 49.85 Favored 'General case' 0 N--CA 1.412 -2.361 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1606 ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -64.38 135.73 56.43 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.269 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -141.91 143.63 33.39 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.847 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 3.3 p -121.12 135.01 55.26 Favored 'General case' 0 C--N 1.288 -2.067 0 CA-C-O 121.213 0.53 . . . . 0.0 111.693 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 93.3 t -120.95 117.61 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.181 0 CA-C-N 115.496 -0.774 . . . . 0.0 108.951 -178.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 54.9 mt -105.22 115.65 47.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 23.0 t -100.21 104.79 16.32 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 123.643 0.777 . . . . 0.0 109.192 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.514 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 87.8 m-85 -88.25 99.31 12.13 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 21.8 t -91.5 138.26 20.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -177.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1614 ' ' CYS . . . . . 0.648 ' HA ' ' O ' ' A' 1642 ' ' THR . 46.8 t -76.55 133.27 39.76 Favored 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.519 -176.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -150.3 100.08 3.2 Favored Pre-proline 0 N--CA 1.427 -1.591 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 175.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo . . . . . 0 C--N 1.357 1.003 0 C-N-CA 123.278 2.652 . . . . 0.0 111.467 178.523 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 . . . . . 0 N--CA 1.429 -1.515 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -78.01 122.09 5.64 Favored 'Trans proline' 0 N--CA 1.445 -1.372 0 C-N-CA 121.344 1.363 . . . . 0.0 110.233 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 87.2 mtp -121.4 136.18 54.99 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.2 tt -81.42 111.31 17.65 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 -178.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.2 mm -93.84 -39.36 10.58 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.985 -175.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 74.0 m -148.63 134.41 18.91 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 121.07 0.462 . . . . 0.0 111.51 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 1.5 tm? -106.66 120.03 40.88 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -117.87 103.66 10.18 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -84.04 -10.12 58.11 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -177.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -72.26 -48.09 45.24 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.5 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 24.8 p -99.8 -0.96 38.79 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 121.435 0.635 . . . . 0.0 110.511 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 86.4 m 60.8 42.06 13.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 114.079 -1.419 . . . . 0.0 110.276 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 19.0 m -105.3 122.29 45.65 Favored 'General case' 0 N--CA 1.427 -1.575 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.282 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.2 mp -100.31 116.35 32.08 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 175.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -92.53 107.91 19.57 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.838 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -107.36 143.61 35.42 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 16.3 t -124.99 144.64 50.28 Favored 'General case' 0 N--CA 1.416 -2.137 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 177.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -131.98 141.69 49.36 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 69.3 m80 -110.4 113.95 27.0 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 120.38 -0.528 . . . . 0.0 109.675 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1642 ' ' THR . . . . . 0.648 ' O ' ' HA ' ' A' 1614 ' ' CYS . 10.0 t -139.93 139.68 22.23 Favored Pre-proline 0 C--N 1.31 -1.135 0 CA-C-O 121.159 0.504 . . . . 0.0 110.193 -176.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -74.61 -8.7 20.76 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.729 2.286 . . . . 0.0 111.713 176.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.94 -15.5 62.6 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.015 0.526 . . . . 0.0 111.065 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -76.9 -7.82 56.23 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 122.053 0.93 . . . . 0.0 109.987 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 84.9 m . . . . . 0 N--CA 1.431 -1.423 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 173.45 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1516 ' ' CYS . . . . . 0.437 ' HA ' ' HB2' ' A' 1581 ' ' LEU . 78.2 m . . . . . 0 CA--C 1.502 -0.888 0 CA-C-O 122.238 1.018 . . . . 0.0 112.148 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.643 ' HA ' ' O ' ' A' 1527 ' ' PHE . 17.5 pt20 -143.33 128.96 19.2 Favored 'General case' 0 N--CA 1.419 -2.025 0 CA-C-N 113.275 -1.784 . . . . 0.0 107.178 172.069 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 71.3 t -136.09 124.17 36.04 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 6.9 m -96.14 114.24 25.92 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -90.77 115.38 64.12 Favored Pre-proline 0 C--N 1.304 -1.382 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -72.51 -17.59 26.58 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 122.8 2.334 . . . . 0.0 113.865 -173.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 16.5 m -79.99 -36.47 35.97 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.256 -177.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 17.5 p -104.86 -15.69 15.1 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.127 0.489 . . . . 0.0 112.064 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 73.46 20.13 79.8 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 -177.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -101.2 132.44 46.7 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.657 -173.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 69.3 tp -96.53 121.59 38.51 Favored 'General case' 0 N--CA 1.419 -1.983 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.643 ' O ' ' HA ' ' A' 1517 ' ' GLN . 96.4 m-85 -85.98 106.33 17.08 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.05 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.13 135.06 47.19 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 123.688 0.617 . . . . 0.0 110.026 175.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 74.1 mt -115.79 15.81 16.36 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 167.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 14.2 m -63.27 -30.48 71.62 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 113.942 -1.481 . . . . 0.0 112.052 -176.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 18.4 m -86.81 -1.37 57.72 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.376 0.608 . . . . 0.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 74.9 mt -116.88 7.48 13.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.769 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 23.0 t -91.97 135.46 33.93 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.156 -177.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -159.36 141.72 7.75 Favored Glycine 0 N--CA 1.426 -2.005 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1535 ' ' ARG . . . . . 0.548 ' O ' ' HA ' ' A' 1556 ' ' ASN . 22.9 mtm180 -83.57 -15.19 50.11 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -87.47 -35.23 18.36 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 172.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 71.01 -156.69 53.33 Favored Glycine 0 N--CA 1.429 -1.829 0 CA-C-N 113.901 -1.5 . . . . 0.0 113.408 173.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -117.33 135.76 53.62 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 19.6 m -102.82 107.09 17.82 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -88.61 138.09 31.73 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -86.64 117.36 25.35 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.394 -176.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 89.2 t80 . . . . . 0 C--N 1.295 -1.772 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 176.794 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -2.375 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 42.0 t -96.7 105.25 16.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.841 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -82.05 107.41 14.73 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 23.8 ptp -112.23 111.35 22.18 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-O 121.204 0.526 . . . . 0.0 110.453 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 39.3 t -89.94 111.92 23.14 Favored 'General case' 0 N--CA 1.425 -1.679 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 175.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 65.6 mt -81.61 112.55 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.739 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.726 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 73.1 m 71.61 24.15 3.61 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.935 1.294 . . . . 0.0 113.951 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . -154.93 -174.32 24.73 Favored Glycine 0 N--CA 1.426 -1.996 0 C-N-CA 119.704 -1.236 . . . . 0.0 112.368 -178.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -101.89 123.83 46.49 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 123.435 0.694 . . . . 0.0 109.991 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.548 ' HA ' ' O ' ' A' 1535 ' ' ARG . 40.1 t30 -66.32 125.15 24.7 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.432 0.634 . . . . 0.0 111.836 -176.137 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -77.06 -14.53 59.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.371 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -91.58 9.74 30.9 Favored 'General case' 0 C--O 1.246 0.919 0 CA-C-O 121.707 0.765 . . . . 0.0 110.922 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 94.9 m -144.39 174.0 3.9 Favored Pre-proline 0 C--N 1.305 -1.355 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1560 ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' 1561 ' ' PRO . 71.0 Cg_exo -57.65 133.67 58.03 Favored 'Trans proline' 0 C--O 1.249 1.043 0 C-N-CA 121.546 1.497 . . . . 0.0 111.11 173.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1561 ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 32.2 Cg_exo -59.79 104.84 0.24 Allowed 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.851 2.367 . . . . 0.0 111.052 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 149.24 -25.62 1.25 Allowed Glycine 0 C--N 1.298 -1.529 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 -177.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 60.7 t -87.56 133.93 29.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 175.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -101.23 -32.41 5.25 Favored Glycine 0 CA--C 1.501 -0.824 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.873 -177.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -134.43 135.95 42.91 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 30.3 m -124.2 133.57 53.51 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 81.1 t80 -105.47 112.75 25.96 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 90.28 162.67 38.48 Favored Glycine 0 N--CA 1.431 -1.689 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -74.46 -6.7 49.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.537 0.684 . . . . 0.0 110.653 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.46 0.65 28.61 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.014 178.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 64.6 29.21 13.16 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 124.357 1.063 . . . . 0.0 110.72 173.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 64.0 mt -73.41 125.35 32.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.025 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 6.0 p -65.44 122.54 17.42 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -176.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.583 HG23 ' HB3' ' A' 1606 ' ' TYR . 14.3 p -122.43 29.77 2.48 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-O 123.291 1.519 . . . . 0.0 107.683 176.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 152.79 135.19 2.15 Favored Glycine 0 N--CA 1.423 -2.184 0 CA-C-N 113.886 -1.507 . . . . 0.0 112.776 177.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 22.7 tptm -75.89 158.06 32.52 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -70.15 76.45 0.51 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.217 0.532 . . . . 0.0 110.848 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 14.8 m120 -86.74 145.17 26.76 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.688 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -128.07 30.06 5.3 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -176.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -90.65 100.7 13.5 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.575 HD11 ' HB3' ' A' 1588 ' ' LEU . 55.7 tp -91.32 127.26 36.68 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 53.3 mtp85 -120.15 138.98 53.28 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.424 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 65.1 t80 -121.79 111.01 16.61 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 15.9 m -139.67 142.26 33.01 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 23.1 t70 42.9 48.75 5.08 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 124.746 1.218 . . . . 0.0 113.054 175.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 57.22 37.09 28.15 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 6.4 p -143.05 134.15 23.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 CA-C-O 121.099 0.476 . . . . 0.0 110.209 174.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.575 ' HB3' HD11 ' A' 1581 ' ' LEU . 80.0 mt -92.74 124.88 37.07 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 175.221 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -114.11 125.26 53.76 Favored 'General case' 0 C--N 1.284 -2.28 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.051 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 46.5 mt -114.63 124.05 50.86 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 173.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 13.4 p -111.61 133.06 58.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -118.41 93.7 4.21 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 176.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 21.9 pttp -106.04 167.69 9.63 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.458 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 30.0 t70 68.76 112.43 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.885 1.274 . . . . 0.0 111.439 -174.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -159.15 -142.92 3.52 Favored Glycine 0 N--CA 1.428 -1.84 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 22.1 t -72.43 138.94 81.02 Favored Pre-proline 0 C--N 1.3 -1.571 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 177.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 157.95 58.56 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.684 2.256 . . . . 0.0 111.895 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1598 ' ' CYS . . . . . 0.561 ' H ' ' HB2' ' A' 1604 ' ' LEU . 62.3 m . . . . . 0 C--N 1.298 -1.631 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -177.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1604 ' ' LEU . . . . . 0.561 ' HB2' ' H ' ' A' 1598 ' ' CYS . 0.6 OUTLIER . . . . . 0 N--CA 1.425 -1.682 0 CA-C-O 122.333 1.063 . . . . 0.0 112.789 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 30.9 m -167.41 119.85 0.92 Allowed 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.819 178.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.583 ' HB3' HG23 ' A' 1574 ' ' VAL . 44.9 m-85 -67.18 116.69 8.26 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 171.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -137.17 156.04 48.82 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.745 -175.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 19.6 m -125.07 140.32 53.0 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.629 -176.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 88.9 t -124.33 113.44 36.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 175.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 54.9 mt -102.97 116.41 46.66 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 11.1 t -104.44 107.51 18.48 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.532 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 86.0 m-85 -92.87 99.48 12.13 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 66.4 t -86.02 134.01 28.3 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.329 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.897 -175.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1614 ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' 1645 ' ' ALA . 17.1 t -56.74 119.4 6.11 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.286 0.991 . . . . 0.0 111.103 177.148 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1615 ' ' ARG . . . . . 0.413 ' HD2' ' HA ' ' A' 1615 ' ' ARG . 25.8 tpt180 -140.48 94.23 8.5 Favored Pre-proline 0 N--CA 1.428 -1.537 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo . . . . . 0 N--CA 1.483 0.885 0 C-N-CA 123.12 2.546 . . . . 0.0 112.345 -178.794 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 . . . . . 0 N--CA 1.425 -1.7 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -69.06 121.54 8.38 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 121.219 1.279 . . . . 0.0 110.171 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 76.4 mtm -123.28 140.25 53.21 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.898 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.5 tt -84.51 117.34 23.62 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -177.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.0 mm -90.37 -53.55 8.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 CA-C-O 121.021 0.438 . . . . 0.0 110.635 -177.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 37.6 m -137.59 131.84 32.21 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.359 -176.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1629 ' ' LEU . . . . . 0.435 HD22 ' HG ' ' A' 1636 ' ' LEU . 0.8 OUTLIER -105.95 104.45 14.17 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 179.69 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 30.3 t70 -102.36 110.79 22.85 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.339 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -85.53 -1.44 57.09 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -72.75 -53.29 12.02 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 178.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 11.1 p -112.76 14.56 19.95 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.471 0.653 . . . . 0.0 110.601 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 76.3 m 50.93 45.59 27.38 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 114.083 -1.417 . . . . 0.0 111.849 177.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 21.4 m -106.54 120.15 41.18 Favored 'General case' 0 N--CA 1.413 -2.287 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.987 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1636 ' ' LEU . . . . . 0.435 ' HG ' HD22 ' A' 1629 ' ' LEU . 5.4 mp -98.35 118.04 34.11 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 176.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -93.2 112.37 24.29 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.779 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.07 144.51 38.55 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 21.3 t -125.75 146.62 49.69 Favored 'General case' 0 N--CA 1.417 -2.118 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -136.06 144.14 45.05 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -112.41 115.13 28.22 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 8.8 t -140.19 142.03 28.54 Favored Pre-proline 0 N--CA 1.432 -1.349 0 CA-C-O 121.097 0.475 . . . . 0.0 110.158 -176.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -75.59 -6.82 18.09 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.944 2.429 . . . . 0.0 110.843 175.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.3 mt -78.68 -8.05 58.31 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.005 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1645 ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' 1614 ' ' CYS . . . -104.79 25.8 9.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.448 0.642 . . . . 0.0 109.854 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 83.7 m . . . . . 0 C--N 1.3 -1.544 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.357 -176.665 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1516 ' ' CYS . . . . . 0.702 ' SG ' ' HB2' ' A' 1529 ' ' LEU . 7.9 t . . . . . 0 C--O 1.25 1.1 0 CA-C-O 121.277 0.561 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.585 ' HB2' HD11 ' A' 1526 ' ' LEU . 10.2 pt20 -163.28 138.14 6.37 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.268 -176.122 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 59.8 t -122.88 127.17 74.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 28.7 m -98.26 111.76 23.98 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 176.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 47.4 t30 -83.95 109.39 18.46 Favored Pre-proline 0 C--N 1.311 -1.087 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.36 -14.77 40.96 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.452 2.768 . . . . 0.0 115.2 -169.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 13.7 p -76.19 -41.09 50.69 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-O 121.19 0.519 . . . . 0.0 111.046 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 30.7 p -103.25 -18.5 14.86 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 121.203 0.525 . . . . 0.0 111.69 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 79.84 17.61 74.61 Favored Glycine 0 N--CA 1.442 -0.947 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.405 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 32.7 m170 -97.43 136.29 38.09 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.077 0.465 . . . . 0.0 112.103 -175.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1526 ' ' LEU . . . . . 0.585 HD11 ' HB2' ' A' 1517 ' ' GLN . 52.7 tp -96.53 121.13 38.01 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.785 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -102.07 106.89 17.84 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -124.07 147.91 47.5 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.115 -174.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1529 ' ' LEU . . . . . 0.702 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 97.2 mt -118.31 29.21 7.9 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.666 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.5 m -52.7 -35.48 55.67 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 124.498 1.119 . . . . 0.0 112.58 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 19.6 m -69.19 -17.42 63.8 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 120.924 0.393 . . . . 0.0 111.893 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 73.2 mt -110.18 -17.39 13.55 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.816 0.341 . . . . 0.0 110.399 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 23.0 t -69.19 117.07 10.37 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.778 -176.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -173.64 154.44 19.93 Favored Glycine 0 N--CA 1.42 -2.425 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1535 ' ' ARG . . . . . 0.538 ' O ' ' HA ' ' A' 1556 ' ' ASN . 51.6 mtp180 -71.62 -22.65 61.68 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 122.824 0.45 . . . . 0.0 111.813 -176.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -77.03 -24.17 52.08 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.044 0.449 . . . . 0.0 110.162 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1537 ' ' GLY . . . . . 0.592 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 54.92 -110.66 1.79 Allowed Glycine 0 CA--C 1.493 -1.319 0 CA-C-N 114.602 -1.181 . . . . 0.0 112.898 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 41.9 t80 -152.42 140.1 19.85 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 29.4 m -111.09 114.11 27.14 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -129.03 130.98 47.3 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.704 -177.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -102.68 134.94 45.23 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 86.0 m-85 . . . . . 0 C--N 1.316 -0.857 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.329 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.063 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 48.1 t -113.12 114.07 45.86 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.972 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1549 ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' 1565 ' ' ALA . 89.1 m-85 -103.45 104.36 14.43 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.913 -1.144 . . . . 0.0 107.913 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1550 ' ' MET . . . . . 0.592 ' O ' ' HA3' ' A' 1537 ' ' GLY . 23.1 ptp -113.85 141.5 47.25 Favored 'General case' 0 C--N 1.29 -1.999 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1551 ' ' SER . . . . . 0.434 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 20.2 t -97.94 161.27 13.81 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 175.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 49.4 mm -119.26 103.59 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.681 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 76.3 m 70.21 37.63 1.6 Allowed 'General case' 0 C--N 1.317 -0.824 0 O-C-N 124.842 1.339 . . . . 0.0 112.95 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . -178.37 -150.32 8.65 Favored Glycine 0 N--CA 1.431 -1.684 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.315 176.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1555 ' ' GLU . . . . . 0.413 ' HB3' ' HB2' ' A' 1577 ' ' ALA . 0.0 OUTLIER -104.59 152.74 22.06 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 122.76 0.424 . . . . 0.0 110.033 175.839 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1556 ' ' ASN . . . . . 0.538 ' HA ' ' O ' ' A' 1535 ' ' ARG . 25.9 t-20 -91.36 129.07 37.4 Favored 'General case' 0 C--N 1.306 -1.295 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.016 -176.198 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -75.0 -10.57 59.6 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -175.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 17.3 m120 -91.48 -10.94 39.0 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 175.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 74.0 m -102.38 165.87 13.04 Favored Pre-proline 0 C--N 1.303 -1.432 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.145 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -60.21 140.87 94.34 Favored 'Trans proline' 0 CA--C 1.546 1.087 0 C-N-CA 122.201 1.934 . . . . 0.0 110.521 171.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -56.62 104.5 0.14 Allowed 'Trans proline' 0 N--CA 1.478 0.605 0 C-N-CA 123.654 2.902 . . . . 0.0 112.974 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 131.96 -22.2 4.31 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 90.9 t -87.79 130.33 37.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -90.05 -27.14 22.09 Favored Glycine 0 N--CA 1.438 -1.218 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.751 -177.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1565 ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' 1549 ' ' TYR . . . -153.71 138.38 16.96 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 120.758 0.313 . . . . 0.0 110.908 -179.329 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 86.0 m -121.4 138.32 54.32 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 122.954 0.502 . . . . 0.0 110.157 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 88.2 t80 -112.37 113.45 25.65 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 95.94 167.62 34.71 Favored Glycine 0 C--N 1.31 -0.879 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.936 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -78.67 -7.48 57.71 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 11.7 m -89.06 -3.75 58.58 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 173.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 59.55 45.91 12.75 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 125.957 1.703 . . . . 0.0 113.038 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 95.5 mt -60.43 114.76 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 174.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 34.6 p -64.71 122.64 17.34 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.015 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.49 HG23 ' HB3' ' A' 1606 ' ' TYR . 14.9 p -109.51 27.37 2.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 CA-C-O 122.559 1.171 . . . . 0.0 108.762 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 151.4 150.55 5.36 Favored Glycine 0 N--CA 1.43 -1.723 0 CA-C-N 114.732 -1.122 . . . . 0.0 114.354 173.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.5 ' HE2' ' O ' ' A' 1594 ' ' ASP . 75.4 mmtt -81.79 154.53 25.89 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1577 ' ' ALA . . . . . 0.413 ' HB2' ' HB3' ' A' 1555 ' ' GLU . . . -66.97 147.48 53.17 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.605 -177.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 9.1 p30 -161.28 150.34 16.34 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 22.1 pttp -128.96 10.58 5.94 Favored 'General case' 0 C--N 1.312 -1.025 0 O-C-N 123.953 0.783 . . . . 0.0 111.043 -175.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -100.14 115.78 30.62 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-O 121.298 0.571 . . . . 0.0 111.343 -178.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' 1588 ' ' LEU . 79.0 mt -82.2 138.6 34.63 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 115.03 -0.987 . . . . 0.0 109.506 176.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -107.62 112.83 25.74 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 175.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 24.2 t80 -92.68 100.18 12.73 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1584 ' ' VAL . . . . . 0.418 ' O ' HG22 ' A' 1587 ' ' VAL . 14.8 m -133.31 135.37 56.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.202 -177.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 56.45 34.64 24.61 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.439 0.696 . . . . 0.0 112.479 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 25.8 mp0 60.78 30.65 19.81 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 115.29 -0.868 . . . . 0.0 113.245 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1587 ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' 1584 ' ' VAL . 22.2 m -135.04 152.2 32.24 Favored 'Isoleucine or valine' 0 C--O 1.244 0.806 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 173.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.51 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 79.3 mt -98.0 122.54 41.25 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -108.22 124.05 49.69 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.987 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1590 ' ' LEU . . . . . 0.434 ' HG ' HD23 ' A' 1581 ' ' LEU . 53.9 mt -115.91 123.48 48.2 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 170.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.5 p -121.06 107.2 19.89 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 CA-C-O 122.193 0.997 . . . . 0.0 111.126 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -89.85 96.86 10.88 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 58.5 pttt -115.03 179.41 3.96 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 -175.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1594 ' ' ASP . . . . . 0.5 ' O ' ' HE2' ' A' 1576 ' ' LYS . 62.6 m-20 62.6 43.04 7.9 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.126 1.37 . . . . 0.0 110.97 178.168 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -83.07 -118.93 0.63 Allowed Glycine 0 N--CA 1.437 -1.297 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.128 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 32.1 t -86.06 132.98 41.99 Favored Pre-proline 0 C--N 1.3 -1.562 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -63.17 120.93 8.58 Favored 'Trans proline' 0 C--O 1.254 1.275 0 C-N-CA 122.867 2.378 . . . . 0.0 110.707 175.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 61.2 m . . . . . 0 C--N 1.312 -1.022 0 C-N-CA 123.716 0.806 . . . . 0.0 111.116 -176.721 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.438 -1.055 0 CA-C-O 121.236 0.541 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 11.7 p -128.12 145.56 50.97 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.164 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.49 ' HB3' HG23 ' A' 1574 ' ' VAL . 84.3 m-85 -63.73 128.19 34.72 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.111 178.327 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -136.89 145.22 44.09 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.126 -177.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 6.8 p -119.23 131.36 55.8 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.521 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 62.0 t -113.05 111.55 36.61 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 58.9 mt -102.4 112.2 34.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 15.4 m -105.75 116.63 32.28 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.034 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.51 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 80.7 m-85 -90.42 107.51 19.2 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1613 ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' 1641 ' ' HIS . 22.3 t -102.08 136.56 33.62 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1614 ' ' CYS . . . . . 0.633 ' HA ' ' O ' ' A' 1642 ' ' THR . 34.5 m -68.32 124.85 24.63 Favored 'General case' 0 C--N 1.31 -1.124 0 C-N-CA 122.998 0.519 . . . . 0.0 112.005 -175.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -140.3 108.33 6.76 Favored Pre-proline 0 C--N 1.315 -0.9 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.448 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo . . . . . 0 N--CA 1.489 1.246 0 C-N-CA 123.095 2.53 . . . . 0.0 111.527 178.096 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 . . . . . 0 N--CA 1.44 -0.967 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1624 ' ' PRO . . . . . 0.554 ' HA ' ' O ' ' A' 1639 ' ' SER . 72.2 Cg_endo -89.65 143.96 4.47 Favored 'Trans proline' 0 N--CA 1.431 -2.158 0 C-N-CA 121.483 1.455 . . . . 0.0 111.283 177.086 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 19.8 mmt -119.96 153.3 36.15 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 173.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.6 tt -90.88 102.35 15.11 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 -178.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.0 mm -80.15 -51.91 15.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.613 -174.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 19.6 m -137.26 127.01 25.46 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 120.479 -0.489 . . . . 0.0 110.197 -177.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.62 102.99 14.65 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 105.504 -2.036 . . . . 0.0 105.504 176.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 14.4 t70 -109.73 100.99 9.92 Favored 'General case' 0 C--N 1.291 -1.941 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.218 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -84.11 -7.31 59.41 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -72.06 -46.49 56.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.302 0.572 . . . . 0.0 110.438 -178.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 37.5 p -106.59 8.15 31.1 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.712 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1634 ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 71.4 m 57.49 40.48 27.09 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.964 -179.03 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 25.4 m -121.63 122.29 39.28 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-O 121.122 0.487 . . . . 0.0 110.417 -175.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.39 122.17 43.75 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -95.49 119.23 33.63 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.084 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -116.89 143.32 45.83 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1639 ' ' SER . . . . . 0.554 ' O ' ' HA ' ' A' 1624 ' ' PRO . 10.0 t -126.23 133.0 51.61 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -119.15 135.36 54.7 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1641 ' ' HIS . . . . . 0.429 ' HA ' ' O ' ' A' 1613 ' ' VAL . 88.4 m-70 -112.03 101.54 9.82 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 119.331 -0.948 . . . . 0.0 111.479 -177.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1642 ' ' THR . . . . . 0.633 ' O ' ' HA ' ' A' 1614 ' ' CYS . 4.9 t -126.53 137.9 31.33 Favored Pre-proline 0 C--N 1.312 -1.055 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.575 -177.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.71 -10.63 18.51 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.765 2.31 . . . . 0.0 112.322 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.31 -13.19 60.16 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -176.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -77.93 -10.01 59.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.458 0.647 . . . . 0.0 111.265 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 97.3 m . . . . . 0 C--N 1.306 -1.304 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.126 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1516 ' ' CYS . . . . . 0.442 ' HA ' ' HB2' ' A' 1581 ' ' LEU . 52.0 m . . . . . 0 CA--C 1.506 -0.737 0 CA-C-O 121.495 0.664 . . . . 0.0 111.899 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1517 ' ' GLN . . . . . 0.469 ' HB2' HD11 ' A' 1526 ' ' LEU . 18.2 pt20 -138.82 129.55 26.25 Favored 'General case' 0 N--CA 1.419 -1.995 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.551 178.387 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 60.9 t -125.42 127.07 71.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -178.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 10.7 m -99.49 111.64 23.97 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -100.75 116.1 64.56 Favored Pre-proline 0 C--N 1.317 -0.821 0 C-N-CA 120.681 -0.408 . . . . 0.0 109.925 178.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.96 -21.95 52.35 Favored 'Trans proline' 0 N--CA 1.484 0.952 0 C-N-CA 123.825 3.017 . . . . 0.0 113.344 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 13.3 m -64.65 -41.11 96.35 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-O 121.24 0.543 . . . . 0.0 111.014 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 1.7 p -104.29 -28.54 11.34 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.124 0.488 . . . . 0.0 112.142 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 79.83 14.07 81.42 Favored Glycine 0 N--CA 1.442 -0.966 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -107.97 139.04 43.18 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -175.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1526 ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' 1517 ' ' GLN . 64.7 tp -87.6 110.33 20.3 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 177.21 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1527 ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' 1517 ' ' GLN . 78.0 m-85 -93.52 114.33 26.67 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.2 p30 -122.51 162.59 21.48 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.769 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 97.6 mt -121.09 28.2 8.0 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.522 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 79.9 p -61.37 -31.96 71.86 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -175.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 15.9 m -65.76 -24.1 66.87 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.041 0.448 . . . . 0.0 111.302 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 73.0 mt -103.12 6.92 38.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.121 0.486 . . . . 0.0 110.329 -176.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 19.3 m -87.91 97.22 10.82 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-O 121.399 0.619 . . . . 0.0 111.45 -176.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -111.28 146.29 17.74 Favored Glycine 0 C--N 1.3 -1.429 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -74.86 -31.91 61.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 117.832 0.816 . . . . 0.0 111.675 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -92.35 -14.98 27.93 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 121.616 0.722 . . . . 0.0 109.212 174.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1537 ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' 1551 ' ' SER . . . 68.14 -136.19 30.4 Favored Glycine 0 N--CA 1.427 -1.916 0 CA-C-N 114.805 -1.089 . . . . 0.0 112.642 177.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -130.54 135.94 48.43 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 4.6 m -109.88 107.81 17.89 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -110.42 139.59 45.48 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.732 -177.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -110.16 111.05 22.15 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 C--N 1.301 -1.524 0 CA-C-O 119.461 -0.304 . . . . 0.0 110.184 -178.367 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.951 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 54.9 t -122.73 112.68 35.14 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.931 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1549 ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' 1565 ' ' ALA . 52.1 m-85 -93.32 104.13 16.32 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 -178.056 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.3 ptp -120.59 121.93 39.45 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.445 -178.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1551 ' ' SER . . . . . 0.47 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 31.6 t -96.98 114.17 25.77 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 175.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 50.2 mm -79.28 112.07 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 31.4 t 72.33 52.32 0.18 Allowed 'General case' 0 C--N 1.316 -0.857 0 O-C-N 124.32 1.012 . . . . 0.0 111.897 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 163.31 -171.62 39.07 Favored Glycine 0 N--CA 1.426 -2.008 0 C-N-CA 119.648 -1.263 . . . . 0.0 111.617 176.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.76 147.15 23.2 Favored 'General case' 0 N--CA 1.423 -1.785 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.291 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -92.72 128.24 38.51 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -176.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -69.55 -11.83 61.15 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.929 0.395 . . . . 0.0 111.945 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -88.5 0.23 56.51 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 74.6 m -126.91 163.01 44.07 Favored Pre-proline 0 C--N 1.303 -1.417 0 C-N-CA 123.485 0.714 . . . . 0.0 109.507 -178.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -52.7 145.85 37.37 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.963 2.442 . . . . 0.0 111.369 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -51.32 99.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 123.763 2.975 . . . . 0.0 112.825 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1562 ' ' GLY . . . . . 0.436 ' O ' ' HD2' ' A' 1576 ' ' LYS . . . 125.16 -17.12 7.12 Favored Glycine 0 N--CA 1.439 -1.101 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.904 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 65.8 t -88.01 130.36 37.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -97.36 -29.78 7.71 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.56 -0.828 . . . . 0.0 113.111 -175.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1565 ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' 1549 ' ' TYR . . . -137.22 138.03 39.72 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.423 -177.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 71.9 m -131.73 137.38 48.21 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.096 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 83.6 t80 -109.89 130.14 55.56 Favored 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 122.869 0.468 . . . . 0.0 110.638 -178.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 89.76 170.03 44.12 Favored Glycine 0 N--CA 1.437 -1.287 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.418 175.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -72.36 -22.02 61.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.812 0.339 . . . . 0.0 111.611 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 20.4 m -80.84 -8.61 59.75 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 122.475 1.131 . . . . 0.0 109.227 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 60.54 55.17 3.49 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 125.766 1.626 . . . . 0.0 111.822 175.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 68.7 mt -66.99 124.4 22.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 3.0 p -60.18 110.8 1.31 Allowed 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 121.418 0.628 . . . . 0.0 111.58 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1574 ' ' VAL . . . . . 0.581 HG23 ' HB3' ' A' 1606 ' ' TYR . 12.4 p -113.17 21.46 6.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-O 122.085 0.945 . . . . 0.0 109.861 -176.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 161.75 131.95 1.28 Allowed Glycine 0 N--CA 1.43 -1.711 0 C-N-CA 119.056 -1.545 . . . . 0.0 114.233 176.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1576 ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' A' 1562 ' ' GLY . 28.6 tptp -76.04 145.33 40.25 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 176.062 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -62.14 87.9 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -176.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.51 131.83 41.26 Favored 'General case' 0 CA--C 1.493 -1.222 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 176.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -114.81 1.55 14.14 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -67.61 93.87 0.39 Allowed 'General case' 0 C--O 1.25 1.116 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.642 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1581 ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' 1516 ' ' CYS . 0.6 OUTLIER -75.92 127.29 32.68 Favored 'General case' 0 CA--C 1.493 -1.249 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 176.264 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -112.54 127.14 55.99 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.65 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1583 ' ' TYR . . . . . 0.455 ' CE1' ' HA ' ' A' 1586 ' ' GLN . 80.2 t80 -101.46 102.86 13.72 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 175.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 8.2 m -131.83 127.0 58.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.35 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 31.4 t70 51.8 50.17 19.23 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 122.509 1.147 . . . . 0.0 111.721 179.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1586 ' ' GLN . . . . . 0.455 ' HA ' ' CE1' ' A' 1583 ' ' TYR . 79.2 mt-30 63.17 14.84 8.05 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 177.424 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 12.8 p -123.51 141.95 41.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 177.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1588 ' ' LEU . . . . . 0.464 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 95.9 mt -92.44 131.25 37.75 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -137.75 135.45 36.37 Favored 'General case' 0 C--N 1.291 -1.975 0 C-N-CA 119.203 -0.999 . . . . 0.0 111.503 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 67.4 mt -114.3 123.39 49.39 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 176.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 57.8 t -113.18 108.12 24.71 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.326 0 CA-C-O 121.128 0.489 . . . . 0.0 110.082 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -88.76 88.9 7.77 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1593 ' ' LYS . . . . . 0.407 ' H ' ' HG2' ' A' 1593 ' ' LYS . 9.7 ptpp? -97.31 177.88 5.41 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 113.168 -1.833 . . . . 0.0 109.903 -175.009 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 26.0 t70 55.65 62.84 2.26 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 122.227 1.013 . . . . 0.0 113.129 177.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -104.47 -144.08 12.84 Favored Glycine 0 N--CA 1.437 -1.28 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 174.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1596 ' ' SER . . . . . 0.425 ' O ' ' HD1' ' A' 1606 ' ' TYR . 20.1 t -64.41 134.61 96.04 Favored Pre-proline 0 C--N 1.311 -1.078 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 178.111 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.35 147.33 82.84 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.368 2.045 . . . . 0.0 112.354 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 61.5 m . . . . . 0 C--N 1.309 -1.186 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 -176.816 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.443 -0.812 0 CA-C-O 122.223 1.011 . . . . 0.0 113.723 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 15.1 p -178.33 124.3 0.11 Allowed 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.486 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1606 ' ' TYR . . . . . 0.581 ' HB3' HG23 ' A' 1574 ' ' VAL . 49.1 m-85 -65.27 124.79 23.13 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 171.022 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -139.5 144.6 38.01 Favored 'General case' 0 N--CA 1.424 -1.733 0 CA-C-O 121.389 0.614 . . . . 0.0 110.798 -176.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 32.8 t -113.9 126.28 54.99 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.002 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.6 t -111.69 107.92 24.17 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 60.7 mt -104.26 111.08 32.44 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 13.0 t -98.3 127.19 44.11 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1612 ' ' PHE . . . . . 0.464 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 97.7 m-85 -105.95 104.54 14.27 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -176.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 53.0 t -98.27 138.39 23.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.07 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 29.4 t -61.26 100.66 0.13 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.332 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -136.13 88.57 21.53 Favored Pre-proline 0 C--N 1.308 -1.201 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo . . . . . 0 N--CA 1.48 0.732 0 C-N-CA 123.887 3.058 . . . . 0.0 113.755 -177.649 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 . . . . . 0 C--O 1.243 0.73 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -74.44 123.3 8.06 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.347 2.032 . . . . 0.0 110.83 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 24.5 mmt -113.45 140.25 48.24 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.636 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.8 tt -80.92 115.8 20.58 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 46.4 mm -93.46 -52.77 9.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.674 -177.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 22.3 m -139.51 134.94 32.94 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.916 -0.49 . . . . 0.0 110.961 -177.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.35 109.64 21.43 Favored 'General case' 0 N--CA 1.435 -1.19 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 12.0 t70 -113.53 98.95 7.39 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -82.71 -13.35 56.53 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 121.171 0.51 . . . . 0.0 110.627 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -71.9 -45.81 59.96 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.596 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 24.0 p -105.55 12.02 31.77 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.769 0.795 . . . . 0.0 110.141 175.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 37.8 m 52.9 46.33 26.99 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 113.914 -1.494 . . . . 0.0 111.385 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 26.6 m -115.78 117.04 29.11 Favored 'General case' 0 N--CA 1.415 -2.195 0 CA-C-O 121.319 0.581 . . . . 0.0 110.117 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.6 mp -99.09 112.96 24.96 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -87.79 112.66 22.68 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.347 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -115.64 143.86 44.75 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 32.7 t -125.99 125.94 43.51 Favored 'General case' 0 N--CA 1.408 -2.53 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 176.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -103.51 136.04 43.98 Favored 'General case' 0 N--CA 1.41 -2.45 0 N-CA-C 105.45 -2.056 . . . . 0.0 105.45 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -104.75 109.67 21.7 Favored 'General case' 0 C--N 1.281 -2.371 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -177.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 5.1 t -138.95 141.35 29.92 Favored Pre-proline 0 C--N 1.312 -1.047 0 CA-C-O 121.546 0.688 . . . . 0.0 112.353 -175.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -70.78 -10.0 26.87 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 123.505 2.803 . . . . 0.0 111.523 173.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.11 -10.61 59.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.034 0.445 . . . . 0.0 111.0 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.77 12.07 33.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.743 0.783 . . . . 0.0 109.922 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 65.2 m . . . . . 0 C--N 1.296 -1.746 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.104 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 87.7 mtp . . . . . 0 CA--C 1.503 -0.849 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 67.6 mttm -89.68 87.82 7.16 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 42.7 m -146.63 37.6 1.0 Allowed 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 8.4 p30 -131.85 15.68 4.78 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.625 -176.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -73.15 112.7 9.44 Favored 'General case' 0 N--CA 1.433 -1.29 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -112.67 77.04 1.01 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 13.4 t70 -101.91 97.65 7.98 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 -176.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -87.5 -67.43 0.82 Allowed 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -170.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 96.8 m 56.89 62.2 2.34 Favored 'General case' 0 C--O 1.249 1.074 0 CA-C-O 121.456 0.646 . . . . 0.0 110.324 -172.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' 1527 ' ' PHE . 21.3 pt20 -148.37 139.55 23.29 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -178.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 57.4 t -130.68 132.73 64.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 19.5 m -99.71 136.34 39.78 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 41.6 t30 -104.91 106.29 54.66 Favored Pre-proline 0 C--N 1.314 -0.967 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 174.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.43 -26.8 55.39 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 124.029 3.153 . . . . 0.0 113.937 -176.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.8 m -60.15 -50.87 71.98 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 122.659 0.384 . . . . 0.0 111.146 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 8.5 p -98.08 -27.24 14.3 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 121.611 0.72 . . . . 0.0 111.896 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 90.51 1.97 73.77 Favored Glycine 0 N--CA 1.441 -0.973 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -175.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -77.23 139.42 39.86 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 124.003 0.921 . . . . 0.0 111.266 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 66.9 tp -105.95 127.16 52.96 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.134 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' 1517 ' ' GLN . 72.0 m-85 -97.45 106.57 18.91 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 175.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.4 p30 -122.29 149.79 43.23 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 92.2 mt -116.3 26.68 9.74 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 121.37 0.605 . . . . 0.0 109.915 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 18.4 m -68.62 -29.9 68.51 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.182 -175.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 7.7 p -72.85 -22.14 60.83 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.982 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 86.2 mt -99.69 -2.6 34.96 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.68 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 17.6 t -76.64 138.34 40.01 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -152.63 153.99 25.23 Favored Glycine 0 CA--C 1.498 -0.991 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -84.1 -40.3 18.45 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.199 0.523 . . . . 0.0 109.922 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -83.96 -20.17 33.37 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 67.7 -134.73 30.36 Favored Glycine 0 N--CA 1.434 -1.449 0 CA-C-N 114.152 -1.385 . . . . 0.0 113.52 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 55.8 t80 -130.12 132.84 46.28 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 26.7 m -108.04 110.67 22.42 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -97.74 128.05 44.12 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.619 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -88.48 119.79 29.25 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 121.222 0.534 . . . . 0.0 110.152 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 91.0 t80 -90.51 131.03 36.48 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.957 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -66.94 84.08 0.12 Allowed 'General case' 0 C--O 1.243 0.755 0 C-N-CA 124.393 1.077 . . . . 0.0 112.317 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 23.6 tptm 174.07 -28.32 0.0 OUTLIER 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 125.79 1.636 . . . . 0.0 107.489 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 115.1 45.93 0.61 Allowed Glycine 0 N--CA 1.43 -1.762 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.818 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 97.4 m95 -132.0 132.81 43.78 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -102.38 120.0 6.66 Favored Glycine 0 N--CA 1.431 -1.693 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 44.1 t -93.15 114.15 29.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -93.64 104.67 16.76 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 107.848 -1.168 . . . . 0.0 107.848 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 23.1 ptm -126.05 125.19 42.2 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 120.938 0.399 . . . . 0.0 111.049 -176.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 69.0 m -107.02 130.66 54.62 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.105 176.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 50.9 mm -78.9 104.4 6.82 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 85.3 m 64.85 81.68 0.2 Allowed 'General case' 0 C--N 1.316 -0.858 0 O-C-N 124.526 1.141 . . . . 0.0 112.125 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 153.32 -176.28 31.43 Favored Glycine 0 N--CA 1.414 -2.783 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.05 176.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1555 ' ' GLU . . . . . 0.449 ' OE1' ' HA ' ' A' 1561 ' ' PRO . 0.0 OUTLIER -104.61 133.54 49.29 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.609 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.529 ' HB3' ' SG ' ' A' 1559 ' ' CYS . 23.1 t-20 -80.34 139.04 36.76 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.049 -172.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -55.91 -28.83 58.54 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.116 1.366 . . . . 0.0 113.618 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -89.62 -15.06 33.57 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 121.962 0.887 . . . . 0.0 109.598 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1559 ' ' CYS . . . . . 0.529 ' SG ' ' HB3' ' A' 1556 ' ' ASN . 92.6 m -94.52 154.24 40.19 Favored Pre-proline 0 C--N 1.299 -1.607 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.948 -177.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -64.0 139.68 68.7 Favored 'Trans proline' 0 C--O 1.246 0.88 0 C-N-CA 122.13 1.887 . . . . 0.0 109.443 173.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1561 ' ' PRO . . . . . 0.449 ' HA ' ' OE1' ' A' 1555 ' ' GLU . 6.7 Cg_endo -47.54 104.16 0.07 OUTLIER 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 124.25 3.3 . . . . 0.0 114.379 -175.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 126.48 -19.71 6.26 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.143 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 86.9 t -88.97 131.21 36.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -95.73 -25.06 13.98 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.569 -0.824 . . . . 0.0 113.361 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -142.89 131.56 22.58 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.755 0.312 . . . . 0.0 110.862 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 78.2 m -125.58 133.69 52.19 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.123 0.487 . . . . 0.0 110.344 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 44.0 t80 -98.29 114.31 26.55 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.854 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 81.3 179.77 53.16 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 115.1 0.8 . . . . 0.0 115.1 171.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -67.77 -25.96 65.87 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 124.496 1.118 . . . . 0.0 112.579 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 16.3 m -80.92 -6.55 58.82 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 122.044 0.926 . . . . 0.0 108.926 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 58.57 44.49 17.6 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 113.978 -1.465 . . . . 0.0 111.824 172.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.67 117.15 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.576 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 14.7 p -62.11 119.03 8.15 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-O 121.239 0.542 . . . . 0.0 111.37 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.494 HG23 ' HB3' ' A' 1606 ' ' TYR . 10.7 p -117.17 31.74 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 CA-C-O 123.182 1.468 . . . . 0.0 108.614 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1575 ' ' GLY . . . . . 0.47 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 153.01 127.77 1.25 Allowed Glycine 0 N--CA 1.421 -2.325 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.908 177.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 48.4 tptt -76.86 149.19 36.16 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -61.39 104.92 0.45 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.264 0.554 . . . . 0.0 110.928 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -114.66 153.47 30.15 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.818 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 21.2 pttm -133.18 15.63 4.16 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 121.472 0.653 . . . . 0.0 110.624 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -82.77 91.54 7.06 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.397 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.615 HD11 ' HB3' ' A' 1588 ' ' LEU . 57.5 tp -86.68 119.27 26.74 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -107.23 135.16 49.22 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 39.1 t80 -105.85 100.84 10.38 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 16.5 m -131.69 124.22 53.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.559 -175.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 34.2 t70 60.49 39.14 18.6 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 122.323 1.058 . . . . 0.0 110.735 176.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 64.9 22.64 12.51 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.062 1.345 . . . . 0.0 112.593 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 57.4 t -125.51 135.52 63.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.615 ' HB3' HD11 ' A' 1581 ' ' LEU . 96.8 mt -90.19 132.03 35.7 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 175.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -130.59 129.49 42.82 Favored 'General case' 0 C--N 1.282 -2.354 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.746 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 49.6 mt -115.17 123.6 49.32 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.751 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 57.9 t -113.71 112.82 41.89 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 CA-C-O 121.302 0.572 . . . . 0.0 109.527 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1592 ' ' TYR . . . . . 0.47 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 96.7 m-85 -92.49 87.93 6.16 Favored 'General case' 0 C--N 1.289 -2.03 0 CA-C-O 122.03 0.919 . . . . 0.0 108.701 176.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 20.7 pttp -82.63 171.24 14.26 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 113.42 -1.718 . . . . 0.0 111.447 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 37.8 t70 57.6 80.72 0.16 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.222 1.409 . . . . 0.0 112.572 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -109.28 -154.0 15.51 Favored Glycine 0 C--N 1.293 -1.822 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 176.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 28.1 m -71.96 126.44 91.32 Favored Pre-proline 0 C--N 1.297 -1.679 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -54.56 122.51 11.7 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.777 2.318 . . . . 0.0 110.366 174.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 58.2 m -67.31 117.66 48.81 Favored Pre-proline 0 C--N 1.309 -1.183 0 C-N-CA 123.285 0.634 . . . . 0.0 109.616 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.62 -30.86 29.88 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 124.045 3.163 . . . . 0.0 114.043 -178.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 25.1 t -93.87 -19.66 20.77 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 111.424 0.157 . . . . 0.0 111.424 -178.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -121.04 106.66 11.79 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.113 0.483 . . . . 0.0 112.074 -175.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 22.7 t -69.36 125.81 27.85 Favored 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 97.24 -15.1 62.88 Favored Glycine 0 N--CA 1.431 -1.636 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.263 177.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 80.2 mt -107.95 151.05 26.32 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 117.106 0.453 . . . . 0.0 111.227 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 77.9 p -137.04 157.52 46.53 Favored 'General case' 0 N--CA 1.429 -1.497 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.173 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.494 ' HB3' HG23 ' A' 1574 ' ' VAL . 98.5 m-85 -67.94 118.08 10.66 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.004 178.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -126.09 147.71 49.52 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.874 -174.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 44.6 m -112.04 125.9 54.59 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.04 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 84.1 t -113.33 111.68 37.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 52.4 mt -102.96 121.94 54.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 27.9 t -107.78 110.48 22.29 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.556 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 87.2 m-85 -94.31 99.59 11.78 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.6 t -80.66 131.49 33.86 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.984 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 15.6 t -70.55 90.53 0.75 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.713 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -121.5 99.06 45.69 Favored Pre-proline 0 C--N 1.299 -1.612 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -67.63 -23.63 42.49 Favored 'Trans proline' 0 C--O 1.244 0.779 0 C-N-CA 122.083 1.855 . . . . 0.0 109.344 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -88.24 40.26 0.94 Allowed 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 126.018 1.727 . . . . 0.0 108.715 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -72.57 132.33 43.64 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.057 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -112.93 -133.48 5.89 Favored Glycine 0 N--CA 1.427 -1.904 0 N-CA-C 110.269 -1.133 . . . . 0.0 110.269 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -71.82 -0.32 8.22 Favored 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 122.91 2.407 . . . . 0.0 111.04 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1621 ' ' THR . . . . . 0.417 HG22 ' SD ' ' A' 1625 ' ' MET . 9.1 p -83.76 16.5 2.71 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 125.126 1.37 . . . . 0.0 111.982 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 9.0 p30 -83.53 37.55 0.58 Allowed 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 122.395 1.093 . . . . 0.0 109.656 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 40.3 mtm105 -142.41 157.81 61.99 Favored Pre-proline 0 C--N 1.299 -1.612 0 N-CA-C 104.956 -2.239 . . . . 0.0 104.956 -176.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.438 ' HD3' ' CZ3' ' A' 1640 ' ' TRP . 54.1 Cg_endo -75.04 121.31 6.48 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 120.828 1.019 . . . . 0.0 110.579 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1625 ' ' MET . . . . . 0.417 ' SD ' HG22 ' A' 1621 ' ' THR . 63.0 mtp -102.51 130.89 49.47 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.4 tt -81.1 100.73 9.19 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 -177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.3 mm -86.06 -42.74 16.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -175.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 35.0 t -140.23 126.3 19.71 Favored 'General case' 0 N--CA 1.421 -1.921 0 C-N-CA 120.146 -0.622 . . . . 0.0 109.912 -177.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.55 113.89 27.75 Favored 'General case' 0 N--CA 1.435 -1.206 0 N-CA-C 105.701 -1.962 . . . . 0.0 105.701 176.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.1 t70 -112.34 110.65 21.0 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 120.939 0.4 . . . . 0.0 110.31 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 67.3 mttm -84.21 -29.74 26.31 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.108 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -62.9 -45.51 92.19 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -174.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 17.6 p -111.71 11.99 21.06 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-O 121.307 0.575 . . . . 0.0 111.088 178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 59.0 m 56.5 53.05 9.02 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.577 -1.192 . . . . 0.0 112.14 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 38.1 m -126.1 125.9 43.31 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.836 -0.54 . . . . 0.0 110.814 -177.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.67 123.31 47.38 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -99.67 114.13 27.01 Favored 'General case' 0 C--O 1.252 1.198 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.564 -178.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -110.96 130.85 55.46 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.755 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 44.3 t -108.76 128.55 54.98 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1640 ' ' TRP . . . . . 0.438 ' CZ3' ' HD3' ' A' 1624 ' ' PRO . 2.2 t-105 -119.44 128.82 54.38 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 18.1 m170 -97.51 101.84 13.47 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.8 t -127.75 141.4 40.94 Favored Pre-proline 0 N--CA 1.431 -1.393 0 CA-C-O 121.149 0.499 . . . . 0.0 110.766 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -81.79 0.13 10.04 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 122.865 2.377 . . . . 0.0 110.854 174.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 97.0 mt -84.68 -5.2 59.3 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-O 121.353 0.597 . . . . 0.0 110.589 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -97.77 9.64 42.12 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 63.7 m -119.19 155.95 30.74 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.055 -175.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -120.05 112.25 18.9 Favored 'General case' 0 N--CA 1.427 -1.613 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 175.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 37.7 tp -73.11 98.92 2.67 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.529 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.919 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1509 ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' 1512 ' ' GLU . 4.6 tppp? -88.44 136.24 33.08 Favored 'General case' 0 N--CA 1.431 -1.375 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 177.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 6.9 t -75.19 126.93 32.04 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 105.111 -2.181 . . . . 0.0 105.111 173.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 4.6 m-20 72.99 45.97 0.26 Allowed 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.755 0.788 . . . . 0.0 109.543 -173.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1512 ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' A' 1509 ' ' LYS . 31.3 tt0 -85.1 104.15 14.74 Favored 'General case' 0 C--O 1.245 0.861 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 178.001 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 21.0 t60 -121.69 131.39 54.07 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -174.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -78.67 122.01 25.42 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 177.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -117.71 -67.39 0.99 Allowed 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.134 -176.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 39.0 m 62.55 62.06 1.16 Allowed 'General case' 0 C--O 1.256 1.443 0 CA-C-O 122.314 1.055 . . . . 0.0 110.558 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.421 ' HB2' HD11 ' A' 1526 ' ' LEU . 10.0 pt20 -140.08 139.6 35.92 Favored 'General case' 0 N--CA 1.425 -1.686 0 CA-C-N 113.979 -1.464 . . . . 0.0 108.994 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1518 ' ' VAL . . . . . 0.548 HG23 HD13 ' A' 1581 ' ' LEU . 96.2 t -117.75 125.43 74.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 16.8 m -107.36 113.73 27.3 Favored 'General case' 0 N--CA 1.426 -1.673 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 13.0 m120 -100.85 107.02 47.46 Favored Pre-proline 0 C--N 1.3 -1.557 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -65.58 -15.42 49.39 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.838 2.358 . . . . 0.0 111.761 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 1.6 p -61.66 -48.64 79.91 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 124.081 0.952 . . . . 0.0 111.344 177.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1523 ' ' THR . . . . . 0.423 HG21 ' HB3' ' A' 1647 ' ' GLU . 3.2 p -104.3 -22.67 13.32 Favored 'General case' 0 N--CA 1.433 -1.309 0 CA-C-O 121.157 0.503 . . . . 0.0 111.856 178.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 83.71 28.62 34.7 Favored Glycine 0 N--CA 1.44 -1.062 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.784 178.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 56.6 m80 -118.06 151.2 37.98 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-O 120.748 0.309 . . . . 0.0 111.489 -177.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1526 ' ' LEU . . . . . 0.421 HD11 ' HB2' ' A' 1517 ' ' GLN . 64.5 tp -107.04 110.3 22.39 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.257 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.541 ' CZ ' ' HA ' ' A' 1647 ' ' GLU . 72.7 m-85 -101.37 126.05 48.09 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -127.0 149.28 49.97 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.737 -174.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 91.7 mt -109.17 6.12 24.5 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 115.331 -0.85 . . . . 0.0 108.967 172.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.1 p -71.08 -26.01 62.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.073 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 34.5 m -71.45 -8.95 57.17 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.293 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 87.0 mt -110.64 8.6 22.79 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 18.4 t -91.11 155.44 18.64 Favored 'General case' 0 N--CA 1.433 -1.316 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.79 -174.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -174.64 147.0 8.84 Favored Glycine 0 N--CA 1.432 -1.58 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1535 ' ' ARG . . . . . 0.488 ' O ' ' HA ' ' A' 1556 ' ' ASN . 31.1 mtm180 -68.31 -31.24 70.53 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 118.148 0.974 . . . . 0.0 111.695 -175.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -85.25 -10.17 56.85 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-O 121.464 0.65 . . . . 0.0 110.446 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 60.42 -136.81 49.19 Favored Glycine 0 N--CA 1.431 -1.687 0 CA-C-N 114.561 -1.199 . . . . 0.0 113.102 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 86.7 t80 -134.04 133.08 40.8 Favored 'General case' 0 C--N 1.285 -2.198 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 29.4 m -105.42 110.25 22.53 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-O 121.265 0.555 . . . . 0.0 109.898 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -105.6 106.57 17.14 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.809 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -84.72 116.61 23.33 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -99.7 147.63 25.22 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-O 121.089 0.471 . . . . 0.0 110.383 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -83.62 49.69 1.64 Allowed 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.3 -174.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 23.5 tptm -135.19 10.39 3.53 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 107.01 -8.27 38.73 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.749 -0.738 . . . . 0.0 114.344 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 21.0 m-90 -134.17 141.25 47.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.692 0.758 . . . . 0.0 112.913 -177.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -111.64 147.87 18.01 Favored Glycine 0 N--CA 1.429 -1.791 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 174.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 47.0 t -113.89 123.88 69.99 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 CA-C-N 117.302 0.551 . . . . 0.0 110.172 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1549 ' ' TYR . . . . . 0.43 ' HB2' ' SG ' ' A' 1566 ' ' CYS . 49.5 m-85 -94.1 104.27 16.3 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 174.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.9 ptm -123.0 128.03 49.63 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-O 120.934 0.397 . . . . 0.0 111.584 -174.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 37.6 t -102.13 132.81 47.79 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 2.4 mp -87.69 110.07 20.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 28.3 t 72.33 94.92 0.07 Allowed 'General case' 0 C--O 1.239 0.535 0 C-N-CA 124.487 1.115 . . . . 0.0 111.267 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 120.07 -166.37 13.57 Favored Glycine 0 N--CA 1.43 -1.712 0 C-N-CA 120.435 -0.888 . . . . 0.0 111.376 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1555 ' ' GLU . . . . . 0.423 ' HA ' ' HA2' ' A' 1564 ' ' GLY . 11.4 pt-20 -107.67 145.45 33.37 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 120.857 0.361 . . . . 0.0 110.27 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.488 ' HA ' ' O ' ' A' 1535 ' ' ARG . 46.0 t-20 -88.87 132.79 34.52 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -177.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -73.32 -14.32 61.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.165 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -92.54 -1.13 57.16 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.426 0.632 . . . . 0.0 109.747 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 73.4 m -119.64 165.01 18.78 Favored Pre-proline 0 C--N 1.303 -1.45 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -55.12 154.33 23.03 Favored 'Trans proline' 0 CA--C 1.551 1.335 0 C-N-CA 122.526 2.15 . . . . 0.0 112.051 176.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.31 123.62 14.28 Favored 'Trans proline' 0 C--O 1.249 1.035 0 C-N-CA 123.344 2.696 . . . . 0.0 112.605 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 95.13 -8.56 69.94 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.991 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 79.8 t -89.1 125.23 42.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.233 0 CA-C-O 120.965 0.412 . . . . 0.0 111.415 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1564 ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' 1555 ' ' GLU . . . -82.99 -32.43 26.39 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.118 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -148.25 134.16 19.09 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1566 ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' 1549 ' ' TYR . 21.5 p -121.56 133.65 55.02 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.33 0.586 . . . . 0.0 110.729 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 79.4 t80 -95.31 124.11 39.18 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.902 -175.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 79.94 171.46 42.53 Favored Glycine 0 N--CA 1.431 -1.678 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.703 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -83.44 -0.37 49.74 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 121.214 0.53 . . . . 0.0 110.485 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 26.0 m -84.15 -3.92 58.45 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-O 122.135 0.969 . . . . 0.0 109.065 173.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 60.27 39.18 19.33 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 114.867 -1.061 . . . . 0.0 112.06 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 79.2 mt -71.86 114.89 11.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 32.0 p -63.25 114.34 3.74 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 121.218 0.532 . . . . 0.0 111.623 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.542 HG23 ' HB3' ' A' 1606 ' ' TYR . 12.8 p -104.93 20.14 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-O 122.472 1.129 . . . . 0.0 109.626 -178.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 156.41 143.99 3.81 Favored Glycine 0 N--CA 1.425 -2.082 0 CA-C-N 114.797 -1.092 . . . . 0.0 113.225 173.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -79.16 158.38 27.71 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 123.593 0.757 . . . . 0.0 109.514 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -67.48 86.14 0.18 Allowed 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 124.355 1.062 . . . . 0.0 111.827 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.59 151.29 19.78 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.81 11.2 7.78 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.36 0.6 . . . . 0.0 110.441 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -76.47 93.15 3.48 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.589 -177.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.548 HD13 HG23 ' A' 1518 ' ' VAL . 0.4 OUTLIER -86.35 122.91 30.98 Favored 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.677 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1582 ' ' ARG . . . . . 0.527 ' NH2' ' HG2' ' A' 1589 ' ' GLN . 89.2 mtm180 -109.01 126.44 53.13 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 -179.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 56.3 t80 -116.51 102.18 9.26 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 6.2 m -140.8 144.24 27.32 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.788 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 53.0 m-20 53.44 37.03 24.63 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.469 1.107 . . . . 0.0 113.48 174.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 2.3 mp0 61.0 29.29 18.92 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.651 0.78 . . . . 0.0 111.699 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1587 ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' 1612 ' ' PHE . 5.5 p -135.14 123.93 40.95 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 CA-C-O 121.324 0.583 . . . . 0.0 110.285 176.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.531 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 84.4 mt -84.01 126.93 33.52 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 175.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1589 ' ' GLN . . . . . 0.527 ' HG2' ' NH2' ' A' 1582 ' ' ARG . 26.2 tt0 -129.6 125.33 35.93 Favored 'General case' 0 C--N 1.281 -2.37 0 C-N-CA 119.231 -0.988 . . . . 0.0 111.802 -176.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 55.5 mt -113.44 152.92 29.46 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.566 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.1 p -140.39 128.26 24.31 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -105.07 105.33 15.32 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 172.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 26.4 pttm -108.4 175.34 5.51 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.014 -174.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 11.0 t70 61.54 45.17 8.48 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.775 1.23 . . . . 0.0 112.854 172.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -83.89 -139.56 4.06 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.518 177.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1596 ' ' SER . . . . . 0.462 ' O ' ' HA ' ' A' 1605 ' ' SER . 35.7 m -67.18 147.84 98.91 Favored Pre-proline 0 C--N 1.307 -1.248 0 C-N-CA 123.157 0.583 . . . . 0.0 110.724 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -69.11 134.57 29.7 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.587 2.191 . . . . 0.0 110.762 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 84.1 m -74.43 126.89 88.4 Favored Pre-proline 0 C--N 1.297 -1.695 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.875 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -73.53 -7.84 20.83 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.628 2.219 . . . . 0.0 111.263 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 6.9 m -84.66 -32.95 23.35 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.45 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 27.0 tptp -160.04 101.76 1.44 Allowed 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.13 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 11.5 m -56.68 133.73 54.13 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 175.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 114.15 -28.1 8.59 Favored Glycine 0 C--N 1.299 -1.505 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -176.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 81.7 mt -92.62 150.35 20.77 Favored 'General case' 0 N--CA 1.434 -1.259 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 176.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1605 ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' 1596 ' ' SER . 14.5 m -132.56 142.01 48.97 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -177.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.542 ' HB3' HG23 ' A' 1574 ' ' VAL . 76.3 m-85 -56.14 131.23 47.13 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.168 0.587 . . . . 0.0 112.378 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1607 ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' 1635 ' ' THR . 56.0 mtpt -129.35 143.6 50.91 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 124.331 1.052 . . . . 0.0 110.53 -177.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 37.0 m -119.07 123.31 44.16 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 175.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 90.1 t -107.95 116.11 50.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 45.6 mt -106.39 113.55 43.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 21.6 t -103.22 111.34 23.69 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.531 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 73.8 m-85 -94.38 98.7 11.08 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 58.3 t -82.65 135.69 24.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1614 ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' 1642 ' ' THR . 50.1 t -67.37 121.12 15.07 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.112 -176.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -134.07 90.35 26.45 Favored Pre-proline 0 C--N 1.306 -1.32 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -52.41 -33.42 56.63 Favored 'Trans proline' 0 N--CA 1.483 0.877 0 C-N-CA 123.864 3.043 . . . . 0.0 114.192 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -91.96 9.76 31.76 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 122.118 -0.364 . . . . 0.0 111.781 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . 66.19 175.13 0.23 Allowed 'General case' 0 C--O 1.245 0.856 0 C-N-CA 124.312 1.045 . . . . 0.0 111.628 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -107.74 137.87 14.26 Favored Glycine 0 N--CA 1.422 -2.27 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -59.96 -28.89 88.1 Favored 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 123.049 2.5 . . . . 0.0 113.632 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 11.4 m -104.17 -38.06 7.05 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 49.7 t-20 59.11 67.56 0.9 Allowed 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.982 0.896 . . . . 0.0 109.396 177.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -151.15 162.12 27.76 Favored Pre-proline 0 C--N 1.315 -0.932 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.543 ' HA ' ' O ' ' A' 1639 ' ' SER . 67.4 Cg_endo -83.4 122.82 3.27 Favored 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 121.667 1.578 . . . . 0.0 111.267 175.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 86.8 mtp -95.81 139.71 31.64 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.653 -0.655 . . . . 0.0 109.36 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.4 tt -82.52 114.9 21.25 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -175.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.7 mm -93.04 -52.84 9.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.692 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 26.5 t -137.7 143.0 41.06 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.06 95.8 4.8 Favored 'General case' 0 N--CA 1.424 -1.751 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 -176.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -97.77 100.26 11.63 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 176.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -84.06 -13.24 53.63 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.162 -176.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -82.31 -42.36 18.88 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -175.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 36.4 p -102.18 -0.22 33.54 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 122.151 0.977 . . . . 0.0 109.805 176.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.48 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 37.8 m 63.67 63.84 0.83 Allowed 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 113.056 -1.884 . . . . 0.0 111.543 175.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1635 ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' 1607 ' ' LYS . 39.3 m -138.09 118.6 13.86 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 121.213 0.53 . . . . 0.0 110.178 179.15 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 7.0 mp -102.1 134.91 44.58 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.611 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -106.74 116.63 32.25 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.223 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -113.2 141.68 46.67 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1639 ' ' SER . . . . . 0.543 ' O ' ' HA ' ' A' 1624 ' ' PRO . 37.4 p -120.71 127.67 52.24 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 120.936 0.398 . . . . 0.0 111.024 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 8.4 t-105 -119.07 147.61 43.94 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -118.65 113.32 21.02 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 118.243 0.474 . . . . 0.0 110.002 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1642 ' ' THR . . . . . 0.48 ' O ' ' HA ' ' A' 1614 ' ' CYS . 11.9 t -140.45 147.07 47.95 Favored Pre-proline 0 C--N 1.313 -0.996 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.024 -175.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.41 -4.32 14.56 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 123.338 2.692 . . . . 0.0 112.058 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 71.4 mt -78.01 -7.63 57.12 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.335 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -93.04 14.53 17.51 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 121.064 0.459 . . . . 0.0 111.889 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 63.5 m -131.59 157.39 43.78 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 174.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1647 ' ' GLU . . . . . 0.541 ' HA ' ' CZ ' ' A' 1527 ' ' PHE . 42.4 mt-10 -76.5 76.26 3.22 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-O 121.72 0.771 . . . . 0.0 110.812 178.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 60.8 tp -70.01 128.61 36.93 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 114.052 -1.431 . . . . 0.0 109.886 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.619 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.364 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1509 ' ' LYS . . . . . 0.403 ' HD3' ' HG3' ' A' 1512 ' ' GLU . 48.9 mmtm -80.98 71.86 7.96 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 122.837 0.455 . . . . 0.0 109.967 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1510 ' ' SER . . . . . 0.524 ' HA ' ' NH2' ' A' 1580 ' ' ARG . 29.1 t -131.74 -11.22 3.47 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-O 120.966 0.412 . . . . 0.0 110.884 178.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 60.9 t30 -162.2 38.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 -176.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1512 ' ' GLU . . . . . 0.403 ' HG3' ' HD3' ' A' 1509 ' ' LYS . 29.2 mm-40 -99.06 -48.09 4.99 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.868 -177.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -159.92 64.22 0.35 Allowed 'General case' 0 CA--C 1.486 -1.491 0 N-CA-C 102.94 -2.985 . . . . 0.0 102.94 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -123.05 55.74 1.19 Allowed 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.774 -167.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 20.3 t70 -107.21 44.27 1.09 Allowed 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 67.8 m 64.01 49.64 2.71 Favored 'General case' 0 C--O 1.247 0.953 0 CA-C-N 114.086 -1.415 . . . . 0.0 111.597 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' 1527 ' ' PHE . 14.1 pt20 -146.23 128.64 15.91 Favored 'General case' 0 N--CA 1.406 -2.671 0 CA-C-N 112.986 -1.916 . . . . 0.0 106.428 175.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 24.6 t -125.68 132.79 70.42 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 28.0 m -87.8 122.72 31.79 Favored 'General case' 0 N--CA 1.423 -1.802 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 46.2 t30 -95.66 105.73 22.63 Favored Pre-proline 0 C--N 1.307 -1.276 0 N-CA-C 108.839 -0.801 . . . . 0.0 108.839 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.99 -4.13 14.22 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.373 2.716 . . . . 0.0 113.274 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.2 m -68.9 -49.63 56.52 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-O 121.225 0.536 . . . . 0.0 109.714 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 15.0 p -119.96 -10.92 9.38 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -175.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 83.53 28.01 37.28 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.857 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1525 ' ' HIS . . . . . 0.442 ' ND1' ' HB2' ' A' 1647 ' ' GLU . 17.7 m80 -103.75 136.85 42.67 Favored 'General case' 0 C--N 1.311 -1.09 0 O-C-N 122.454 -0.439 . . . . 0.0 111.27 178.359 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 66.0 tp -100.05 105.52 17.18 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.174 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' 1517 ' ' GLN . 99.1 m-85 -84.6 106.76 16.41 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.6 p30 -117.9 144.25 45.61 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-O 121.501 0.667 . . . . 0.0 110.794 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 95.1 mt -120.94 21.86 11.24 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 174.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 15.0 m -68.85 -26.41 65.14 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.061 -1.427 . . . . 0.0 110.511 -175.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 5.3 p -72.9 -26.05 61.28 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.623 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 91.9 mt -93.83 -1.91 54.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.78 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 19.5 t -66.06 141.85 58.0 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.201 0.524 . . . . 0.0 110.902 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -170.63 134.99 3.32 Favored Glycine 0 N--CA 1.432 -1.616 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1535 ' ' ARG . . . . . 0.451 ' O ' ' HA ' ' A' 1556 ' ' ASN . 55.9 mtm180 -84.37 -20.39 32.03 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -86.5 -34.17 20.11 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1537 ' ' GLY . . . . . 0.51 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 66.74 -131.04 31.34 Favored Glycine 0 N--CA 1.43 -1.706 0 CA-C-N 113.957 -1.474 . . . . 0.0 112.705 176.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -139.94 136.4 33.79 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 32.7 m -88.0 107.93 18.97 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -87.35 114.58 24.08 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -117.3 118.69 32.96 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.771 -176.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 29.8 p90 -132.17 170.12 15.45 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 118.895 -0.574 . . . . 0.0 110.933 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -54.42 -39.68 67.55 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -173.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -97.15 17.94 16.04 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.528 -177.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 169.8 85.27 0.06 OUTLIER Glycine 0 N--CA 1.437 -1.246 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 11.1 p90 -82.62 68.1 8.94 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.773 0.797 . . . . 0.0 113.007 -177.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . 147.58 90.88 0.1 OUTLIER Glycine 0 N--CA 1.431 -1.69 0 C-N-CA 119.284 -1.436 . . . . 0.0 114.369 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 22.0 t -121.03 116.45 49.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 N-CA-C 105.91 -1.885 . . . . 0.0 105.91 169.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -91.29 108.38 19.84 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1550 ' ' MET . . . . . 0.51 ' O ' ' HA3' ' A' 1537 ' ' GLY . 23.1 ptp -112.18 126.95 55.76 Favored 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.137 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 30.4 t -89.43 143.62 26.68 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 2.8 mp -103.3 105.92 19.19 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.11 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 41.9 t 71.92 81.76 0.14 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.298 0.999 . . . . 0.0 111.19 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 129.82 -152.6 19.69 Favored Glycine 0 N--CA 1.434 -1.498 0 C-N-CA 120.096 -1.05 . . . . 0.0 112.256 177.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.44 157.63 17.22 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 123.408 0.683 . . . . 0.0 111.187 -179.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' A' 1535 ' ' ARG . 15.8 m120 -85.24 129.4 34.81 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 175.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.55 -15.61 61.29 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.3 -177.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -101.94 15.79 27.95 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.589 0.709 . . . . 0.0 110.478 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1559 ' ' CYS . . . . . 0.406 ' HB2' ' HB2' ' A' 1556 ' ' ASN . 99.4 m -130.37 165.0 37.27 Favored Pre-proline 0 C--N 1.294 -1.819 0 CA-C-N 115.267 -0.878 . . . . 0.0 108.835 177.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -49.91 131.73 30.51 Favored 'Trans proline' 0 C--O 1.249 1.042 0 C-N-CA 122.546 2.164 . . . . 0.0 111.327 173.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.1 99.73 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.224 0 C-N-CA 123.19 2.593 . . . . 0.0 111.419 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 141.03 -19.48 2.7 Favored Glycine 0 N--CA 1.43 -1.732 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.29 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 45.5 t -88.36 132.83 32.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -106.09 -7.61 35.23 Favored Glycine 0 CA--C 1.507 -0.457 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.706 -177.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -160.24 129.7 5.12 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 92.1 m -118.95 133.31 55.91 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.057 0.456 . . . . 0.0 111.196 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 76.3 t80 -107.49 128.97 54.98 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 89.65 177.14 45.52 Favored Glycine 0 N--CA 1.427 -1.965 0 C-N-CA 120.705 -0.759 . . . . 0.0 113.605 173.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -77.27 -24.08 51.08 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 123.289 0.636 . . . . 0.0 110.94 -176.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 26.4 m -82.89 -12.0 57.75 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-O 122.009 0.909 . . . . 0.0 109.932 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 67.63 56.81 0.57 Allowed 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.093 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 71.9 mt -72.35 131.41 34.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.044 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 16.6 p -68.4 110.41 4.11 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -176.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.461 HG23 ' HB3' ' A' 1606 ' ' TYR . 13.2 p -106.03 31.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 CA-C-O 123.211 1.481 . . . . 0.0 107.926 178.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 144.83 143.55 4.02 Favored Glycine 0 N--CA 1.426 -1.98 0 CA-C-N 113.834 -1.53 . . . . 0.0 112.912 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 76.1 mmtt -82.28 158.6 23.41 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -57.45 131.39 49.99 Favored 'General case' 0 C--N 1.31 -1.133 0 O-C-N 124.301 1.001 . . . . 0.0 109.632 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 58.1 t30 -146.38 144.2 29.58 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -176.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 55.0 mttp -126.76 15.05 7.51 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.445 0.641 . . . . 0.0 109.372 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1580 ' ' ARG . . . . . 0.524 ' NH2' ' HA ' ' A' 1510 ' ' SER . 11.0 tpp180 -80.23 91.15 5.56 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.515 HD21 ' HB3' ' A' 1588 ' ' LEU . 1.9 tt -88.72 126.33 35.27 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 -178.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1582 ' ' ARG . . . . . 0.402 ' NE ' ' HA ' ' A' 1582 ' ' ARG . 3.7 mmp_? -116.17 135.49 53.87 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 54.5 p90 -106.59 101.01 10.5 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1584 ' ' VAL . . . . . 0.413 ' O ' HG22 ' A' 1587 ' ' VAL . 17.7 m -127.55 128.94 70.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.049 -176.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 32.3 t70 55.76 43.75 27.32 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 122.412 1.101 . . . . 0.0 110.444 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 26.0 mp0 61.33 17.25 8.12 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 114.104 -1.407 . . . . 0.0 114.76 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1587 ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' 1584 ' ' VAL . 15.6 m -121.29 150.86 24.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 174.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.515 ' HB3' HD21 ' A' 1581 ' ' LEU . 87.4 mt -97.93 129.3 44.85 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -122.77 132.83 54.4 Favored 'General case' 0 C--N 1.293 -1.868 0 C-N-CA 120.27 -0.572 . . . . 0.0 112.207 -176.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 66.5 mt -120.01 122.98 42.34 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 171.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1591 ' ' VAL . . . . . 0.409 HG23 HG22 ' A' 1609 ' ' VAL . 10.5 p -115.92 136.19 53.62 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -110.73 96.49 6.21 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -102.6 176.81 5.04 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.711 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 33.2 m-20 69.48 38.45 1.78 Allowed 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.525 1.13 . . . . 0.0 112.715 177.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -89.31 -143.64 10.01 Favored Glycine 0 C--O 1.249 1.059 0 N-CA-C 111.739 -0.544 . . . . 0.0 111.739 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1596 ' ' SER . . . . . 0.481 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 47.3 m -73.95 126.29 89.51 Favored Pre-proline 0 C--N 1.306 -1.317 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1597 ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' 1596 ' ' SER . 19.9 Cg_exo -67.05 153.6 77.24 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 123.004 2.469 . . . . 0.0 114.108 -177.124 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 66.7 m -121.21 151.29 55.51 Favored Pre-proline 0 C--N 1.312 -1.04 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.896 -178.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.05 3.9 3.1 Favored 'Trans proline' 0 N--CA 1.484 0.922 0 C-N-CA 123.313 2.675 . . . . 0.0 113.187 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 6.0 m -63.87 -19.97 65.47 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.746 1.218 . . . . 0.0 112.539 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 31.0 mmmt 73.1 -62.72 0.46 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.555 1.142 . . . . 0.0 112.047 -177.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 39.6 t -89.64 112.27 23.47 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 88.34 42.97 5.71 Favored Glycine 0 N--CA 1.424 -2.115 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.34 87.39 6.15 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-O 122.004 0.907 . . . . 0.0 112.957 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 30.5 t -177.41 123.78 0.13 Allowed 'General case' 0 N--CA 1.432 -1.335 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.266 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.461 ' HB3' HG23 ' A' 1574 ' ' VAL . 27.5 m-85 -66.76 120.18 13.08 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 165.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -140.42 147.03 39.08 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.284 0.564 . . . . 0.0 110.927 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 22.8 t -115.97 135.99 53.45 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1609 ' ' VAL . . . . . 0.409 HG22 HG23 ' A' 1591 ' ' VAL . 57.7 t -116.55 109.31 27.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 61.1 mt -97.89 112.23 29.48 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 16.2 m -105.2 114.67 28.99 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.23 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.464 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 79.0 m-85 -91.43 99.98 12.83 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1613 ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' 1641 ' ' HIS . 22.8 t -92.25 139.39 18.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1614 ' ' CYS . . . . . 0.597 ' HA ' ' O ' ' A' 1642 ' ' THR . 49.8 t -81.82 136.61 35.38 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.367 0.603 . . . . 0.0 112.016 -175.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -140.75 93.85 8.35 Favored Pre-proline 0 C--N 1.308 -1.212 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.658 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -60.89 -28.98 87.22 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 122.131 1.888 . . . . 0.0 110.118 171.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -100.12 42.05 1.13 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.019 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -55.33 135.76 49.75 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.107 0.963 . . . . 0.0 112.838 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -122.15 -138.49 5.38 Favored Glycine 0 N--CA 1.428 -1.881 0 N-CA-C 110.186 -1.166 . . . . 0.0 110.186 176.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -70.9 2.03 4.58 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.486 2.791 . . . . 0.0 112.739 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1621 ' ' THR . . . . . 0.511 ' HB ' ' CD2' ' A' 1641 ' ' HIS . 16.6 p -85.34 9.16 16.2 Favored 'General case' 0 N--CA 1.431 -1.375 0 C-N-CA 124.047 0.939 . . . . 0.0 112.124 -178.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 9.1 p30 -84.36 30.15 0.55 Allowed 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 122.394 1.092 . . . . 0.0 110.094 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -136.13 139.56 30.46 Favored Pre-proline 0 C--N 1.297 -1.714 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' 1639 ' ' SER . 37.3 Cg_endo -67.47 121.73 8.87 Favored 'Trans proline' 0 C--O 1.249 1.075 0 C-N-CA 121.862 1.708 . . . . 0.0 111.401 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 73.2 mtm -129.16 147.62 51.02 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.268 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1626 ' ' LEU . . . . . 0.499 HD11 HD23 ' A' 1629 ' ' LEU . 1.5 tt -80.03 113.84 18.5 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.355 -174.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.7 mm -97.64 -43.82 12.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-O 120.833 0.349 . . . . 0.0 111.256 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 20.5 m -136.77 130.44 31.93 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.443 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.499 HD23 HD11 ' A' 1626 ' ' LEU . 0.9 OUTLIER -114.32 107.06 15.07 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 -179.706 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.4 t70 -105.94 104.49 14.21 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -75.53 -32.39 60.44 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.263 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -64.27 -40.99 97.1 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -173.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 32.0 p -110.23 11.63 23.52 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 120.958 0.409 . . . . 0.0 111.952 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 59.1 m 56.41 47.83 18.15 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.227 1.011 . . . . 0.0 112.061 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 36.6 m -120.05 123.07 42.51 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-O 121.317 0.58 . . . . 0.0 111.059 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.2 mp -105.51 115.65 30.61 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.247 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -94.19 115.24 27.48 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.403 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.94 136.52 51.15 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1639 ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' 1624 ' ' PRO . 38.1 t -109.97 140.5 43.91 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1640 ' ' TRP . . . . . 0.401 ' O ' ' HA ' ' A' 1612 ' ' PHE . 2.2 t90 -130.91 126.8 37.07 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 105.0 -2.222 . . . . 0.0 105.0 177.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1641 ' ' HIS . . . . . 0.511 ' CD2' ' HB ' ' A' 1621 ' ' THR . 44.1 m-70 -106.1 108.43 19.94 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 119.755 -0.778 . . . . 0.0 110.145 -178.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1642 ' ' THR . . . . . 0.597 ' O ' ' HA ' ' A' 1614 ' ' CYS . 5.5 t -135.68 139.59 31.33 Favored Pre-proline 0 C--N 1.304 -1.413 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.575 -177.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.458 ' HA ' ' SG ' ' A' 1614 ' ' CYS . 66.7 Cg_endo -72.82 -5.85 17.94 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 122.859 2.373 . . . . 0.0 111.77 177.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 97.1 mt -72.41 -9.26 58.3 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.132 0.573 . . . . 0.0 111.344 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1645 ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' 1614 ' ' CYS . . . -84.46 -12.05 55.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.133 0.492 . . . . 0.0 109.977 177.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 68.6 m -98.83 149.21 23.13 Favored 'General case' 0 CA--C 1.487 -1.455 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.865 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1647 ' ' GLU . . . . . 0.442 ' HB2' ' ND1' ' A' 1525 ' ' HIS . 11.4 pt-20 -88.93 75.19 8.08 Favored 'General case' 0 N--CA 1.421 -1.918 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 171.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 41.8 tp -75.25 137.49 41.26 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 113.555 -1.657 . . . . 0.0 112.538 -169.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.906 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 176.106 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1508 ' ' MET . . . . . 0.414 ' HA ' ' OD1' ' A' 1511 ' ' ASN . 52.6 ttm . . . . . 0 CA--C 1.515 -0.366 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 28.4 tptp -170.03 -48.01 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 53.2 m -149.96 90.05 1.65 Allowed 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 175.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1511 ' ' ASN . . . . . 0.414 ' OD1' ' HA ' ' A' 1508 ' ' MET . 2.7 m-20 -101.79 31.77 3.7 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 122.414 1.102 . . . . 0.0 109.962 -175.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -149.84 35.31 0.68 Allowed 'General case' 0 N--CA 1.423 -1.778 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 8.8 t60 -116.74 67.44 0.73 Allowed 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 114.413 -1.267 . . . . 0.0 107.705 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 20.7 m-20 63.98 45.19 4.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.731 -1.122 . . . . 0.0 108.239 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.77 46.83 1.12 Allowed 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -174.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 31.9 m 54.77 43.71 29.63 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 124.982 1.313 . . . . 0.0 111.721 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.494 ' HB2' HD11 ' A' 1526 ' ' LEU . 10.2 pt20 -155.4 139.48 16.45 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -174.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 89.9 t -130.41 124.89 58.37 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.077 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 6.6 m -100.28 127.06 46.66 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 120.078 -0.649 . . . . 0.0 109.603 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -101.18 105.75 41.03 Favored Pre-proline 0 C--N 1.299 -1.609 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 175.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -72.8 -10.63 25.14 Favored 'Trans proline' 0 C--O 1.241 0.667 0 C-N-CA 122.728 2.286 . . . . 0.0 112.748 -175.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 6.8 m -70.34 -51.76 27.65 Favored 'General case' 0 N--CA 1.427 -1.599 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.726 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 23.8 p -95.79 -25.89 15.88 Favored 'General case' 0 C--O 1.251 1.143 0 CA-C-O 121.224 0.535 . . . . 0.0 111.872 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 90.07 16.71 55.5 Favored Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -177.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -96.67 126.67 42.0 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -175.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1526 ' ' LEU . . . . . 0.494 HD11 ' HB2' ' A' 1517 ' ' GLN . 35.5 tp -93.4 109.72 21.28 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 177.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -80.66 105.93 12.27 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.92 136.29 53.05 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 176.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 80.1 mt -110.57 13.72 22.56 Favored 'General case' 0 C--N 1.267 -3.002 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 174.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 29.2 m -66.42 -32.06 73.2 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.147 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 38.5 t -59.92 -36.38 76.89 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.53 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 93.2 mt -101.47 0.07 36.1 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.051 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 24.1 t -78.65 147.71 33.48 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-O 121.34 0.591 . . . . 0.0 110.414 -174.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -174.89 142.91 6.53 Favored Glycine 1 N--CA 1.395 -4.085 0 N-CA-C 108.936 -1.666 . . . . 0.0 108.936 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1535 ' ' ARG . . . . . 0.562 ' O ' ' HA ' ' A' 1556 ' ' ASN . 91.8 mtt180 -78.69 -26.57 44.96 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.499 0.666 . . . . 0.0 109.971 -177.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -81.16 -25.73 36.61 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 173.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1537 ' ' GLY . . . . . 0.51 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 69.76 -128.86 21.13 Favored Glycine 0 N--CA 1.424 -2.148 0 CA-C-N 114.011 -1.45 . . . . 0.0 112.6 175.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 57.9 t80 -138.07 138.62 38.95 Favored 'General case' 0 C--N 1.284 -2.275 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 86.7 m -104.12 107.27 18.09 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.455 0.645 . . . . 0.0 109.415 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -96.89 125.85 41.62 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -105.69 129.49 53.9 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -119.54 170.31 9.28 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.515 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -51.28 -54.8 22.52 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.762 0.825 . . . . 0.0 112.687 -175.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -117.23 32.28 6.25 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 122.034 0.921 . . . . 0.0 110.006 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -161.87 64.97 0.26 Allowed Glycine 0 N--CA 1.427 -1.966 0 N-CA-C 107.935 -2.066 . . . . 0.0 107.935 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 31.7 p90 -76.93 54.79 1.04 Allowed 'General case' 0 C--N 1.311 -1.083 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -174.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . 151.58 89.93 0.08 OUTLIER Glycine 0 N--CA 1.41 -3.072 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.333 176.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 68.9 t -103.03 108.31 24.05 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.237 0 N-CA-C 104.639 -2.356 . . . . 0.0 104.639 170.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -89.26 103.69 16.3 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 -176.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1550 ' ' MET . . . . . 0.51 ' O ' ' HA3' ' A' 1537 ' ' GLY . 23.9 ptp -114.89 131.36 56.89 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1551 ' ' SER . . . . . 0.402 ' HB2' ' HB2' ' A' 1556 ' ' ASN . 23.2 t -88.96 153.02 21.36 Favored 'General case' 0 N--CA 1.421 -1.902 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 175.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 46.7 mm -112.31 90.71 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.282 -2.349 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 53.8 t 68.41 76.79 0.25 Allowed 'General case' 0 C--O 1.244 0.782 0 O-C-N 124.523 1.139 . . . . 0.0 109.824 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 154.15 -167.15 32.26 Favored Glycine 0 N--CA 1.429 -1.801 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.744 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.46 151.87 20.61 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.562 ' HA ' ' O ' ' A' 1535 ' ' ARG . 19.2 t-20 -95.33 120.16 35.08 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.413 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.14 -6.27 46.7 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -94.54 4.36 53.95 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 76.2 m -135.84 172.42 7.15 Favored Pre-proline 0 N--CA 1.427 -1.624 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -60.25 137.34 74.33 Favored 'Trans proline' 0 C--O 1.25 1.104 0 C-N-CA 121.924 1.749 . . . . 0.0 111.381 173.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.17 103.21 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 123.13 2.554 . . . . 0.0 111.507 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 147.58 -29.55 1.45 Allowed Glycine 0 N--CA 1.434 -1.474 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 -176.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 59.6 t -88.18 138.85 18.34 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -105.23 -24.13 7.32 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.685 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -150.46 135.31 17.54 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.87 0.335 . . . . 0.0 110.92 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 80.8 m -126.43 133.81 51.15 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 79.1 t80 -101.56 114.67 28.91 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 94.09 161.36 35.1 Favored Glycine 0 N--CA 1.423 -2.179 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.953 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -67.44 -19.22 65.34 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.43 0.633 . . . . 0.0 109.836 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 20.4 m -69.0 -13.5 62.49 Favored 'General case' 0 CA--C 1.561 1.374 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.637 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 64.47 43.76 4.4 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 124.828 1.251 . . . . 0.0 112.437 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 70.8 mt -74.36 114.57 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 24.7 p -63.12 117.12 6.07 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.007 0.432 . . . . 0.0 111.772 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.559 HG23 ' HB3' ' A' 1606 ' ' TYR . 15.0 p -112.76 18.39 7.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 CA-C-O 122.447 1.118 . . . . 0.0 108.642 178.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 168.42 141.49 3.21 Favored Glycine 0 N--CA 1.43 -1.755 0 C-N-CA 120.035 -1.079 . . . . 0.0 113.416 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.414 ' HB2' ' HB3' ' A' 1594 ' ' ASP . 15.9 tptm -91.2 150.7 21.25 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 177.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -55.97 115.49 2.43 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 124.263 1.025 . . . . 0.0 113.026 -175.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -128.11 142.43 51.2 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -178.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 63.4 mttp -126.09 7.53 7.25 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.645 0.736 . . . . 0.0 110.524 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -86.39 91.37 8.49 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.835 0.826 . . . . 0.0 109.861 -177.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.514 HD21 ' HB3' ' A' 1588 ' ' LEU . 1.7 tt -75.47 129.0 36.56 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -118.06 134.17 55.23 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-O 120.818 0.342 . . . . 0.0 111.034 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 40.1 t80 -101.55 99.84 10.19 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 16.7 m -134.86 121.83 35.74 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.254 -173.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 26.7 t70 58.69 48.17 11.96 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 122.813 1.292 . . . . 0.0 110.428 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 28.1 tp60 63.06 10.74 4.68 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 113.287 -1.779 . . . . 0.0 113.877 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 7.3 p -123.5 139.9 48.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.867 -0.521 . . . . 0.0 109.924 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.514 ' HB3' HD21 ' A' 1581 ' ' LEU . 84.6 mt -84.22 121.41 27.44 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 175.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -123.05 130.94 53.43 Favored 'General case' 0 C--N 1.28 -2.419 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.1 -172.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 69.5 mt -115.83 122.8 46.46 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 172.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 59.3 t -118.87 113.63 42.24 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 CA-C-O 121.402 0.62 . . . . 0.0 109.75 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -95.27 98.1 10.35 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -85.72 170.02 12.87 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 177.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1594 ' ' ASP . . . . . 0.414 ' HB3' ' HB2' ' A' 1576 ' ' LYS . 27.1 t70 65.6 87.75 0.11 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.822 1.249 . . . . 0.0 112.469 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -128.44 -153.64 8.11 Favored Glycine 0 N--CA 1.424 -2.138 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 177.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 42.3 m -70.01 141.33 89.22 Favored Pre-proline 0 C--N 1.296 -1.733 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.8 138.55 45.14 Favored 'Trans proline' 0 C--O 1.243 0.733 0 C-N-CA 122.14 1.893 . . . . 0.0 110.372 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 56.0 m -72.62 128.65 88.13 Favored Pre-proline 0 C--N 1.302 -1.483 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.062 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -71.15 -13.65 31.28 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.545 2.163 . . . . 0.0 110.776 176.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 7.9 m -82.65 -39.52 21.99 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.294 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -138.67 107.99 6.12 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.685 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 15.1 m -69.03 100.92 1.3 Allowed 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 142.86 -31.34 2.0 Allowed Glycine 0 N--CA 1.441 -0.998 0 N-CA-C 110.129 -1.188 . . . . 0.0 110.129 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 87.3 mt -89.93 150.27 22.24 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 17.0 m -133.94 150.53 51.3 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.559 ' HB3' HG23 ' A' 1574 ' ' VAL . 79.6 m-85 -64.39 122.55 16.99 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.844 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -119.55 151.02 39.32 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.143 -177.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 13.3 p -129.35 136.1 49.57 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.107 0.48 . . . . 0.0 110.985 176.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 63.3 t -122.74 113.65 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.732 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 56.0 mt -99.8 114.11 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.722 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 23.1 t -102.91 115.44 30.61 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.147 -176.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.498 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 91.3 m-85 -98.35 99.82 11.04 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.4 t -95.17 140.08 17.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.748 -173.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 5.8 t -60.73 112.79 2.16 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.754 -1.112 . . . . 0.0 111.61 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -138.22 88.47 15.08 Favored Pre-proline 0 C--N 1.302 -1.491 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 172.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1616 ' ' PRO . . . . . 0.554 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 50.1 Cg_exo -58.93 -27.03 83.46 Favored 'Trans proline' 0 N--CA 1.488 1.161 0 C-N-CA 123.695 2.93 . . . . 0.0 111.981 -178.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -75.5 -11.16 59.97 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.207 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . 68.18 -71.56 0.11 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.943 1.297 . . . . 0.0 109.399 -174.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 81.52 177.14 51.56 Favored Glycine 0 N--CA 1.429 -1.811 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.619 176.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -79.02 -15.32 13.11 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.381 2.054 . . . . 0.0 111.197 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.73 28.62 2.97 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-O 121.687 0.756 . . . . 0.0 110.075 -176.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1622 ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' 1641 ' ' HIS . 30.6 p-10 -88.04 46.3 1.37 Allowed 'General case' 0 C--O 1.243 0.741 0 CA-C-O 122.685 1.231 . . . . 0.0 109.898 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -152.36 161.44 29.31 Favored Pre-proline 0 C--N 1.303 -1.435 0 N-CA-C 104.611 -2.366 . . . . 0.0 104.611 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -68.23 121.74 8.74 Favored 'Trans proline' 0 C--O 1.257 1.436 0 C-N-CA 121.223 1.282 . . . . 0.0 112.373 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 23.0 ttt -112.81 133.21 54.92 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1626 ' ' LEU . . . . . 0.454 ' HG ' ' CE1' ' A' 1638 ' ' PHE . 1.1 tt -78.97 111.41 15.14 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 46.9 mm -90.22 -44.41 14.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 CA-C-O 121.055 0.455 . . . . 0.0 111.425 -174.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.8 m -146.04 131.36 18.55 Favored 'General case' 0 C--N 1.296 -1.729 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.065 -176.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.65 101.09 11.9 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 105.207 -2.146 . . . . 0.0 105.207 175.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -99.16 103.23 15.11 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.219 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -84.49 -19.07 33.89 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-O 121.002 0.429 . . . . 0.0 110.341 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -62.91 -50.44 70.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.398 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 21.9 p -113.29 8.73 18.16 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 121.65 0.738 . . . . 0.0 111.243 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.411 ' HB3' ' CD1' ' A' 1606 ' ' TYR . 65.8 m 59.77 63.97 1.39 Allowed 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 113.983 -1.462 . . . . 0.0 111.625 177.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 27.4 m -133.36 126.47 31.39 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.657 0.742 . . . . 0.0 111.628 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.47 ' HB3' ' CE2' ' A' 1638 ' ' PHE . 4.2 mm? -94.71 118.05 31.11 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.663 177.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -102.69 113.78 27.47 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.349 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1638 ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' 1636 ' ' LEU . 88.5 m-85 -117.73 141.14 48.74 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 36.0 t -122.89 136.65 54.94 Favored 'General case' 0 C--N 1.289 -2.031 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -119.89 126.94 52.16 Favored 'General case' 0 N--CA 1.418 -2.042 0 N-CA-C 104.932 -2.248 . . . . 0.0 104.932 177.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1641 ' ' HIS . . . . . 0.423 ' O ' ' HA ' ' A' 1622 ' ' ASN . 70.5 m80 -104.31 108.74 20.28 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -178.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 7.3 t -140.53 143.15 31.62 Favored Pre-proline 0 C--N 1.294 -1.808 0 CA-C-O 121.319 0.58 . . . . 0.0 110.134 -176.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.554 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 65.2 Cg_endo -72.49 -14.06 27.7 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 123.225 2.617 . . . . 0.0 111.261 176.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 54.0 tp -74.52 -22.74 58.89 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.108 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -95.98 27.66 3.5 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.814 0.816 . . . . 0.0 109.609 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 19.0 t -132.05 146.7 52.23 Favored 'General case' 0 N--CA 1.417 -2.101 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -82.18 74.91 9.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.387 1.089 . . . . 0.0 111.119 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 93.8 mt -97.53 104.34 16.36 Favored 'General case' 0 N--CA 1.426 -1.643 0 CA-C-N 114.251 -1.34 . . . . 0.0 107.985 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.572 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.498 -178.577 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 C--O 1.24 0.565 0 CA-C-O 121.179 0.514 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 88.4 tttt -125.05 120.27 31.0 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 9.8 t -87.52 69.36 9.78 Favored 'General case' 0 N--CA 1.424 -1.765 0 CA-C-O 122.351 1.072 . . . . 0.0 110.685 -176.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -105.63 43.88 1.09 Allowed 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 106.179 -1.786 . . . . 0.0 106.179 173.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -80.06 69.32 6.43 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 113.526 -1.67 . . . . 0.0 112.315 -171.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 69.7 t60 -158.5 144.21 16.76 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 34.2 t70 63.39 64.77 0.8 Allowed 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 122.322 1.058 . . . . 0.0 110.513 -177.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1515 ' ' ASP . . . . . 0.417 ' HB3' ' HG2' ' A' 1517 ' ' GLN . 25.1 m-20 -128.42 -67.8 0.79 Allowed 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 58.8 m 50.69 57.16 6.93 Favored 'General case' 0 CA--C 1.507 -0.703 0 O-C-N 124.547 1.154 . . . . 0.0 110.126 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.501 ' HA ' ' O ' ' A' 1527 ' ' PHE . 23.1 pt20 -141.9 142.4 33.07 Favored 'General case' 0 N--CA 1.426 -1.637 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.278 -175.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 9.8 p -150.47 140.63 16.08 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.426 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 32.5 m -99.88 118.98 37.47 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 121.061 0.458 . . . . 0.0 109.926 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -107.84 107.86 60.78 Favored Pre-proline 0 C--N 1.306 -1.296 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.423 176.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.65 -26.16 79.87 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.366 2.711 . . . . 0.0 113.696 -177.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 23.2 t -68.05 -27.8 66.83 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 120.824 0.345 . . . . 0.0 110.704 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 1.8 p -100.74 -33.45 10.25 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-O 121.341 0.591 . . . . 0.0 110.96 176.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 85.44 14.55 68.18 Favored Glycine 0 CA--C 1.502 -0.749 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.57 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -118.04 136.68 53.4 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.4 tt -87.21 105.3 17.12 Favored 'General case' 0 N--CA 1.417 -2.087 0 N-CA-C 104.443 -2.428 . . . . 0.0 104.443 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.501 ' O ' ' HA ' ' A' 1517 ' ' GLN . 97.0 m-85 -82.22 118.28 22.98 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -177.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -137.22 144.64 42.91 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.1 mt -123.42 23.04 9.11 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.427 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1530 ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' 1515 ' ' ASP . 8.6 t -74.46 -20.66 59.93 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.277 -174.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 50.3 m -79.23 -7.65 58.42 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 121.573 -0.705 . . . . 0.0 110.829 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 82.7 mt -105.59 8.95 33.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.765 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1533 ' ' SER . . . . . 0.589 ' HA ' ' O ' ' A' 1552 ' ' ILE . 46.7 m -65.72 103.54 0.9 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.516 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -110.35 119.65 5.39 Favored Glycine 0 N--CA 1.44 -1.096 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -75.44 -29.35 59.65 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 117.433 0.617 . . . . 0.0 111.347 -175.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1536 ' ' ALA . . . . . 0.469 ' HA ' ' HG2' ' A' 1557 ' ' GLU . . . -86.81 -12.11 48.94 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 121.802 0.81 . . . . 0.0 109.06 176.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 68.93 -164.45 49.63 Favored Glycine 0 N--CA 1.421 -2.35 0 CA-C-N 113.9 -1.5 . . . . 0.0 112.761 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.59 138.48 54.32 Favored 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 23.2 m -97.96 107.83 20.4 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 120.166 -0.613 . . . . 0.0 109.467 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -84.38 115.36 22.48 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -66.29 135.17 54.04 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 121.03 0.443 . . . . 0.0 111.176 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 75.2 t80 -119.87 102.35 8.51 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . 60.48 27.41 17.04 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.049 0.94 . . . . 0.0 110.201 -176.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 68.06 -46.46 0.52 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.309 1.844 . . . . 0.0 113.92 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -65.41 -43.34 95.07 Favored Glycine 0 C--O 1.243 0.677 0 O-C-N 123.017 0.198 . . . . 0.0 112.857 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 22.4 m-90 -97.37 171.31 8.49 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-O 120.993 0.425 . . . . 0.0 109.919 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -155.96 145.8 12.94 Favored Glycine 0 N--CA 1.42 -2.414 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 48.6 t -104.94 117.64 50.95 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -89.03 103.79 16.38 Favored 'General case' 0 C--N 1.289 -2.044 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -177.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 18.1 ptm -119.59 116.75 26.68 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.426 -173.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 47.8 t -89.98 140.03 30.03 Favored 'General case' 0 N--CA 1.433 -1.275 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1552 ' ' ILE . . . . . 0.589 ' O ' ' HA ' ' A' 1533 ' ' SER . 67.4 mt -103.94 115.58 46.15 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.538 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 11.8 t 64.86 45.62 3.2 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 124.341 1.026 . . . . 0.0 111.569 176.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 173.1 -179.05 44.77 Favored Glycine 0 N--CA 1.436 -1.344 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -88.46 149.5 23.64 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -90.3 128.79 36.52 Favored 'General case' 0 C--N 1.292 -1.891 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1557 ' ' GLU . . . . . 0.469 ' HG2' ' HA ' ' A' 1536 ' ' ALA . 9.2 pt-20 -71.59 -12.62 61.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.004 0.43 . . . . 0.0 111.705 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -87.64 4.6 43.27 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 175.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 74.1 m -131.85 162.96 53.27 Favored Pre-proline 0 N--CA 1.434 -1.247 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.739 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -61.13 142.68 97.63 Favored 'Trans proline' 0 C--O 1.248 0.986 0 C-N-CA 122.456 2.104 . . . . 0.0 110.35 173.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -55.83 100.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 123.733 2.955 . . . . 0.0 113.011 -176.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 146.73 -38.21 1.15 Allowed Glycine 0 N--CA 1.428 -1.87 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 38.5 t -82.6 132.85 30.42 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -99.67 -30.98 6.23 Favored Glycine 0 N--CA 1.437 -1.252 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.804 -178.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -135.73 132.24 36.61 Favored 'General case' 0 N--CA 1.436 -1.166 0 O-C-N 122.45 -0.441 . . . . 0.0 110.938 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 73.5 m -127.0 134.46 50.34 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.917 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 32.4 t80 -91.45 127.37 36.87 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 78.35 -172.32 55.21 Favored Glycine 0 N--CA 1.433 -1.501 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.806 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -90.6 -18.19 25.61 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 4.1 m -72.52 -1.75 17.1 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-O 121.752 0.787 . . . . 0.0 111.845 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 59.71 48.46 9.28 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.781 1.232 . . . . 0.0 111.019 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 67.1 mt -78.87 114.9 20.23 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 22.3 p -63.39 116.59 5.67 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-O 121.228 0.537 . . . . 0.0 111.835 -175.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.462 HG23 ' HB3' ' A' 1606 ' ' TYR . 12.7 p -112.84 11.77 8.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 CA-C-O 122.929 1.347 . . . . 0.0 108.362 177.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1575 ' ' GLY . . . . . 0.514 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 166.3 129.97 1.11 Allowed Glycine 0 N--CA 1.418 -2.517 0 C-N-CA 119.669 -1.253 . . . . 0.0 113.846 177.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.486 ' HB2' ' HB3' ' A' 1594 ' ' ASP . 23.5 tptm -77.41 151.68 34.66 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 174.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -65.23 113.14 3.8 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 122.355 0.262 . . . . 0.0 110.654 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -119.33 160.1 22.9 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 122.717 0.407 . . . . 0.0 110.068 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 24.2 pttm -128.97 8.83 5.71 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.177 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -77.37 91.43 3.85 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.978 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' 1588 ' ' LEU . 55.8 tp -87.12 126.85 35.04 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.824 -178.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -112.74 134.18 54.39 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.458 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1583 ' ' TYR . . . . . 0.44 ' CZ ' ' HA ' ' A' 1586 ' ' GLN . 86.6 t80 -108.33 103.63 12.84 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 171.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 2.7 p -142.11 127.74 17.89 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.301 -173.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 63.73 43.26 5.68 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 122.745 1.26 . . . . 0.0 110.442 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1586 ' ' GLN . . . . . 0.44 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 54.8 mt-30 62.63 15.97 8.45 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 114.067 -1.424 . . . . 0.0 113.71 177.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 34.5 m -132.3 157.3 43.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.517 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 81.4 mt -95.71 122.51 38.55 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -113.65 124.2 51.75 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.055 -175.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 53.7 mt -114.89 123.14 48.41 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 172.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 47.3 t -114.39 112.12 38.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1592 ' ' TYR . . . . . 0.514 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 27.4 m-85 -89.39 98.99 12.08 Favored 'General case' 0 N--CA 1.42 -1.969 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 65.9 mttm -88.74 174.81 7.79 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.39 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1594 ' ' ASP . . . . . 0.486 ' HB3' ' HB2' ' A' 1576 ' ' LYS . 15.4 t70 65.33 93.37 0.07 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.389 1.075 . . . . 0.0 110.649 -175.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -141.32 -173.84 13.94 Favored Glycine 0 N--CA 1.429 -1.8 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 49.1 m -67.58 131.72 92.92 Favored Pre-proline 0 C--N 1.305 -1.344 0 C-N-CA 122.784 0.434 . . . . 0.0 110.414 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.06 130.06 32.87 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.712 2.275 . . . . 0.0 110.754 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 68.8 m -76.53 119.14 76.07 Favored Pre-proline 0 C--N 1.302 -1.482 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.279 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -70.92 -26.03 22.57 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 121.809 1.672 . . . . 0.0 109.183 174.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 1.4 m -64.42 -51.49 62.93 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 114.473 -1.24 . . . . 0.0 109.425 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1601 ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' 1632 ' ' GLN . 30.8 mmtp -124.32 99.14 6.07 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.991 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 16.5 m -63.14 124.41 21.09 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.905 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 112.94 -23.76 13.95 Favored Glycine 0 N--CA 1.436 -1.313 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 80.8 mt -103.68 157.43 17.07 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 120.758 0.314 . . . . 0.0 110.173 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 50.1 m -135.78 140.45 44.3 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.489 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 95.4 m-85 -55.54 119.4 5.6 Favored 'General case' 0 CA--C 1.517 -0.323 0 O-C-N 124.267 0.98 . . . . 0.0 111.544 -176.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -128.27 151.73 48.95 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.072 -175.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 31.3 t -117.8 131.32 56.59 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.154 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 87.6 t -118.97 111.98 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 53.4 mt -102.96 130.7 52.66 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 15.9 m -122.06 107.68 12.49 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 121.146 0.498 . . . . 0.0 110.525 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.517 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 80.3 m-85 -85.7 117.13 24.39 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 38.6 t -104.07 139.78 24.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 11.8 t -64.42 126.94 29.42 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 123.726 0.81 . . . . 0.0 112.27 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -144.09 100.11 4.97 Favored Pre-proline 0 N--CA 1.433 -1.276 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -66.79 -31.21 39.77 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.533 2.155 . . . . 0.0 110.676 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -88.48 41.19 1.0 Allowed 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.346 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1618 ' ' ALA . . . . . 0.415 ' HB1' ' OD1' ' A' 1622 ' ' ASN . . . -72.46 -173.3 1.1 Allowed 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 124.253 1.021 . . . . 0.0 112.699 -175.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 136.51 -104.43 0.48 Allowed Glycine 0 N--CA 1.435 -1.372 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -77.61 13.07 1.72 Allowed 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.067 2.511 . . . . 0.0 112.725 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 4.2 m -112.52 2.43 16.29 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.804 0.811 . . . . 0.0 109.248 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1622 ' ' ASN . . . . . 0.415 ' OD1' ' HB1' ' A' 1618 ' ' ALA . 1.7 m-20 -89.22 75.91 7.74 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -178.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -150.02 152.0 33.14 Favored Pre-proline 0 C--N 1.298 -1.644 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -177.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -75.8 122.31 6.76 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 121.88 1.72 . . . . 0.0 110.941 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 20.2 ptp -122.82 130.19 52.59 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.725 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 2.1 tt -83.94 113.89 21.3 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.3 mm -99.97 -36.83 5.42 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-O 120.904 0.383 . . . . 0.0 111.853 -174.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 19.5 m -144.29 135.05 25.0 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 121.986 -0.446 . . . . 0.0 110.539 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.426 HD23 ' HG ' ' A' 1636 ' ' LEU . 3.0 tm? -118.53 102.89 9.23 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.28 90.58 3.36 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -75.43 -22.12 57.61 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.979 -176.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1632 ' ' GLN . . . . . 0.498 ' O ' ' HG3' ' A' 1601 ' ' LYS . 78.3 mt-30 -65.19 -35.55 81.41 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.014 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 36.6 p -105.71 11.93 31.57 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.39 0.614 . . . . 0.0 110.251 174.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.489 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 77.3 m 55.58 39.41 30.98 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.16 178.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 39.8 m -119.43 125.25 48.51 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-O 121.073 0.463 . . . . 0.0 111.313 -177.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.426 ' HG ' HD23 ' A' 1629 ' ' LEU . 6.0 mp -105.48 124.58 49.8 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -99.1 110.07 22.7 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-O 120.929 0.395 . . . . 0.0 110.869 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -108.97 144.38 37.01 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 22.7 t -127.69 156.35 42.52 Favored 'General case' 0 N--CA 1.405 -2.717 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -143.06 143.35 31.84 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -107.99 111.65 23.83 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.2 t -138.28 143.52 39.28 Favored Pre-proline 0 C--N 1.308 -1.197 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.461 ' HA ' ' SG ' ' A' 1646 ' ' CYS . 67.5 Cg_endo -75.3 -4.85 15.92 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.007 2.471 . . . . 0.0 112.724 178.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 95.6 mt -80.98 -16.21 54.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.336 0.589 . . . . 0.0 110.689 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -94.24 23.04 5.36 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.09 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1646 ' ' CYS . . . . . 0.461 ' SG ' ' HA ' ' A' 1643 ' ' PRO . 77.5 m -101.99 150.95 22.69 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.829 -176.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -81.63 74.96 8.59 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 176.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 33.0 tp -139.43 128.56 23.82 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -176.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 CA-C-O 118.29 -0.862 . . . . 0.0 108.779 178.744 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 23.1 mmt . . . . . 0 N--CA 1.468 0.454 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.91 153.2 33.67 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 122.266 -0.271 . . . . 0.0 110.291 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 17.7 p -138.28 36.2 2.3 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.928 0.87 . . . . 0.0 109.694 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 19.5 m120 -79.51 -48.22 14.26 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.381 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -85.62 134.28 34.0 Favored 'General case' 0 N--CA 1.427 -1.618 0 N-CA-C 106.198 -1.779 . . . . 0.0 106.198 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -95.74 115.08 26.91 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -149.5 25.97 0.86 Allowed 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 174.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.82 -66.2 0.91 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.229 -1.351 . . . . 0.0 111.399 -176.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1516 ' ' CYS . . . . . 0.537 ' SG ' ' HB2' ' A' 1579 ' ' LYS . 87.0 m 54.67 58.12 5.13 Favored 'General case' 0 C--O 1.25 1.09 0 CA-C-O 122.19 0.995 . . . . 0.0 111.476 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' A' 1527 ' ' PHE . 28.2 pt20 -147.7 135.91 21.42 Favored 'General case' 0 N--CA 1.417 -2.115 0 CA-C-N 113.916 -1.493 . . . . 0.0 108.634 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 40.3 t -125.08 137.27 58.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 9.0 m -107.22 133.58 51.59 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 44.1 p30 -97.11 126.75 41.07 Favored Pre-proline 0 C--O 1.213 -0.82 0 C-N-CA 119.557 -0.857 . . . . 0.0 109.892 174.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.56 -12.52 24.76 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 122.158 1.906 . . . . 0.0 113.194 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 20.2 t -71.35 -65.81 0.7 Allowed 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.34 -5.22 40.5 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 72.46 31.58 63.08 Favored Glycine 0 CA--C 1.5 -0.884 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.178 174.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 29.8 m170 -107.05 149.78 27.22 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.061 0.458 . . . . 0.0 112.109 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 65.9 tp -107.39 126.21 52.19 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.377 -175.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.435 ' O ' ' HA ' ' A' 1517 ' ' GLN . 86.6 m-85 -108.69 115.3 29.83 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -128.89 154.57 46.38 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.44 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.5 mt -123.21 24.91 8.64 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.609 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 14.9 m -66.71 -27.75 67.89 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.651 -173.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 23.9 m -81.8 -7.6 59.61 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.02 0.438 . . . . 0.0 110.998 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 87.8 mt -106.82 0.16 23.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.409 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1533 ' ' SER . . . . . 0.513 ' HA ' ' O ' ' A' 1552 ' ' ILE . 26.0 t -69.06 144.39 54.0 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.365 -177.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -167.25 146.94 11.19 Favored Glycine 0 N--CA 1.434 -1.472 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 59.0 mtp85 -84.08 -39.37 19.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.918 0.422 . . . . 0.0 111.415 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -84.04 -32.92 24.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.766 0.793 . . . . 0.0 108.984 175.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1537 ' ' GLY . . . . . 0.442 ' HA3' ' HA ' ' A' 1551 ' ' SER . . . 72.84 -138.44 25.76 Favored Glycine 0 N--CA 1.428 -1.871 0 CA-C-N 114.082 -1.417 . . . . 0.0 113.095 174.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 84.5 t80 -120.02 146.32 45.99 Favored 'General case' 0 C--N 1.288 -2.082 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 51.1 m -116.6 108.54 16.09 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-O 121.221 0.534 . . . . 0.0 110.071 177.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -96.1 106.65 18.86 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1541 ' ' ALA . . . . . 0.499 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -90.89 110.78 22.01 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.047 -176.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1542 ' ' TYR . . . . . 0.462 ' OH ' ' HB2' ' A' 1626 ' ' LEU . 98.3 m-85 -100.0 125.99 46.12 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 176.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . 65.15 -90.03 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 124.616 1.167 . . . . 0.0 110.826 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -145.35 -62.64 0.34 Allowed 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 122.817 0.447 . . . . 0.0 111.704 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -93.87 -7.2 61.49 Favored Glycine 0 N--CA 1.435 -1.371 0 C-N-CA 120.39 -0.909 . . . . 0.0 113.507 -174.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 61.8 m95 -91.85 64.35 4.74 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 121.906 0.86 . . . . 0.0 110.056 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1547 ' ' GLY . . . . . 0.499 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . -92.97 117.07 5.29 Favored Glycine 0 N--CA 1.426 -2.002 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.664 178.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 17.7 t -88.28 111.93 23.06 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -89.57 104.05 16.64 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 15.1 ptm -119.93 113.79 21.09 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-O 121.422 0.63 . . . . 0.0 110.641 -173.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1551 ' ' SER . . . . . 0.442 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 24.5 m -88.49 152.29 21.97 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1552 ' ' ILE . . . . . 0.513 ' O ' ' HA ' ' A' 1533 ' ' SER . 44.2 mm -111.83 104.57 17.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 -177.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 46.0 t 63.48 68.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.125 0.891 . . . . 0.0 110.178 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 165.58 -170.53 40.47 Favored Glycine 0 N--CA 1.435 -1.394 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.85 145.79 28.12 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.102 0.477 . . . . 0.0 110.114 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -85.55 110.81 19.48 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.422 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -79.72 3.25 19.87 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.307 -0.86 . . . . 0.0 113.29 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -91.22 -6.48 53.32 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 177.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1559 ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' 1571 ' ' ARG . 83.2 m -130.23 179.25 1.38 Allowed Pre-proline 0 C--N 1.294 -1.809 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 178.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -57.19 119.88 7.43 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 121.412 1.408 . . . . 0.0 110.695 174.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -51.21 107.07 0.15 Allowed 'Trans proline' 0 C--N 1.366 1.457 0 C-N-CA 123.212 2.608 . . . . 0.0 111.55 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 152.71 -32.0 0.83 Allowed Glycine 0 N--CA 1.431 -1.687 0 N-CA-C 107.967 -2.053 . . . . 0.0 107.967 -176.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 54.7 t -78.04 143.58 12.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 106.452 -1.684 . . . . 0.0 106.452 172.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -107.32 -20.88 8.32 Favored Glycine 0 C--N 1.316 -0.553 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.843 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -151.99 139.03 19.11 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 69.9 m -127.47 133.81 49.87 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.658 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 72.5 t80 -103.45 118.18 36.16 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.661 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 89.32 177.27 45.92 Favored Glycine 0 N--CA 1.437 -1.259 0 CA-C-N 115.808 -0.633 . . . . 0.0 113.612 172.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -72.78 -24.52 60.95 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 123.209 0.604 . . . . 0.0 110.11 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 24.9 m -72.96 -14.58 61.48 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-O 121.924 0.869 . . . . 0.0 109.572 174.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1571 ' ' ARG . . . . . 0.525 ' HB3' ' SG ' ' A' 1559 ' ' CYS . 99.2 mtt180 57.26 47.58 16.63 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 126.044 1.738 . . . . 0.0 112.103 176.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.84 126.15 23.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.203 -1.362 . . . . 0.0 109.209 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 37.4 p -61.92 111.63 1.98 Allowed 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 121.298 0.571 . . . . 0.0 111.287 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.49 HG23 ' HB3' ' A' 1606 ' ' TYR . 12.8 p -109.83 30.41 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-O 123.262 1.506 . . . . 0.0 108.384 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1575 ' ' GLY . . . . . 0.539 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 148.29 138.64 3.06 Favored Glycine 0 N--CA 1.413 -2.87 0 CA-C-N 114.037 -1.438 . . . . 0.0 112.926 176.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 49.3 tptt -78.44 159.02 28.51 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 175.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -62.54 86.32 0.02 OUTLIER 'General case' 0 C--O 1.248 0.981 0 CA-C-O 121.409 0.623 . . . . 0.0 111.126 177.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -102.23 135.21 44.23 Favored 'General case' 0 CA--C 1.493 -1.228 0 C-N-CA 124.419 1.088 . . . . 0.0 109.125 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1579 ' ' LYS . . . . . 0.537 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 0.0 OUTLIER -138.19 38.6 2.31 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-O 122.435 1.112 . . . . 0.0 110.388 -179.052 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -97.21 92.08 5.84 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.542 HD21 ' HB3' ' A' 1588 ' ' LEU . 2.6 tt -76.66 123.45 26.15 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -176.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -102.93 129.96 49.83 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1583 ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' 1586 ' ' GLN . 80.6 t80 -98.47 100.56 11.82 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 176.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 19.4 m -119.89 106.1 18.41 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.967 -174.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 35.7 t70 56.11 49.55 15.35 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 122.11 0.957 . . . . 0.0 110.137 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1586 ' ' GLN . . . . . 0.561 ' HA ' ' CE1' ' A' 1583 ' ' TYR . 24.8 tt0 60.94 26.75 16.66 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-N 114.437 -1.256 . . . . 0.0 111.567 -179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 97.3 t -119.45 132.26 69.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.571 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 96.4 mt -89.69 113.5 25.0 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -110.01 131.0 55.45 Favored 'General case' 0 C--N 1.288 -2.081 0 CA-C-O 120.833 0.349 . . . . 0.0 111.529 -177.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 70.0 mt -114.62 123.28 48.92 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 171.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 6.4 p -120.09 111.05 30.88 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-O 121.907 0.861 . . . . 0.0 110.823 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1592 ' ' TYR . . . . . 0.539 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 97.7 m-85 -89.95 100.46 13.27 Favored 'General case' 0 N--CA 1.422 -1.83 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.012 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -95.94 173.1 7.61 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.217 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 18.4 t70 62.51 87.46 0.1 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.065 1.346 . . . . 0.0 112.09 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -127.57 -156.86 9.23 Favored Glycine 0 N--CA 1.431 -1.635 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 44.3 m -68.63 131.31 91.44 Favored Pre-proline 0 C--N 1.309 -1.163 0 CA-C-N 117.302 0.551 . . . . 0.0 110.411 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -63.78 114.57 2.64 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.866 2.377 . . . . 0.0 110.961 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 55.7 m -73.53 138.56 77.63 Favored Pre-proline 0 C--N 1.299 -1.623 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.343 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -69.47 4.33 2.13 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 123.463 2.776 . . . . 0.0 111.918 176.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 24.7 t -70.74 -19.45 62.73 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.553 1.141 . . . . 0.0 111.326 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 3.4 mppt? 70.84 -57.17 0.6 Allowed 'General case' 0 N--CA 1.499 2.008 0 C-N-CA 124.162 0.985 . . . . 0.0 111.015 -175.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 47.6 t -81.37 108.15 14.74 Favored 'General case' 0 N--CA 1.427 -1.61 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 87.69 48.54 4.16 Favored Glycine 0 N--CA 1.435 -1.414 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.38 86.14 7.12 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-O 122.055 0.931 . . . . 0.0 112.659 -178.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 33.7 p 168.36 119.74 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 113.719 -1.582 . . . . 0.0 108.687 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.49 ' HB3' HG23 ' A' 1574 ' ' VAL . 42.4 m-85 -70.3 121.94 18.61 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.981 172.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.57 157.7 36.47 Favored 'General case' 0 C--O 1.248 1.011 0 C-N-CA 123.242 0.617 . . . . 0.0 111.11 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 23.1 t -134.67 128.53 33.23 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.182 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 57.9 t -116.84 109.91 29.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 48.2 mt -101.69 119.51 50.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 17.7 t -108.05 102.8 11.93 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.571 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 93.9 m-85 -89.69 101.51 14.2 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 58.5 t -92.59 137.44 22.25 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.702 -176.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 11.0 t -67.63 107.16 2.43 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 124.052 0.845 . . . . 0.0 111.242 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1615 ' ' ARG . . . . . 0.549 ' HA ' ' NE ' ' A' 1615 ' ' ARG . 4.4 mmp_? -136.43 100.99 10.12 Favored Pre-proline 0 C--N 1.312 -1.055 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.56 175.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -71.88 -4.98 16.14 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 122.832 2.354 . . . . 0.0 111.372 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1617 ' ' GLU . . . . . 0.449 ' OE1' ' HD3' ' A' 1615 ' ' ARG . 41.3 mt-10 -76.43 -18.84 58.61 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 124.152 0.981 . . . . 0.0 110.521 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -72.4 134.87 45.64 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.562 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -126.11 -137.91 4.75 Favored Glycine 0 N--CA 1.432 -1.591 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -81.02 25.69 0.63 Allowed 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 122.573 2.182 . . . . 0.0 113.247 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 2.7 m -121.63 15.81 11.11 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -54.98 109.78 0.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.993 -175.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -146.04 138.87 14.07 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.091 -177.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.422 ' HB3' ' CE3' ' A' 1640 ' ' TRP . 87.9 Cg_endo -82.79 161.09 16.3 Favored 'Trans proline' 0 C--O 1.248 1.006 0 C-N-CA 122.776 2.317 . . . . 0.0 111.527 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -140.45 143.93 35.83 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-O 121.236 0.541 . . . . 0.0 111.122 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1626 ' ' LEU . . . . . 0.462 ' HB2' ' OH ' ' A' 1542 ' ' TYR . 2.1 tt -80.7 103.25 10.42 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.8 mm -79.59 -48.79 20.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.225 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 33.4 t -137.47 129.37 28.88 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 121.249 0.547 . . . . 0.0 110.124 -176.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.422 HD23 HD11 ' A' 1626 ' ' LEU . 1.0 OUTLIER -107.93 99.65 9.08 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 -179.75 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -101.75 98.16 8.46 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.541 177.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 26.6 tptp -85.06 -4.89 59.32 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.518 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -74.17 -51.2 16.25 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.659 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 13.1 p -112.94 14.99 19.82 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 121.498 0.666 . . . . 0.0 110.912 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.46 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 60.9 m 57.13 54.88 6.43 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 114.226 -1.352 . . . . 0.0 112.263 176.312 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 27.8 m -125.82 110.79 14.1 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -95.92 126.04 40.9 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.92 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -101.97 114.19 28.08 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.613 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -115.79 130.13 56.72 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 13.2 t -113.02 142.54 45.6 Favored 'General case' 0 N--CA 1.415 -2.195 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 177.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1640 ' ' TRP . . . . . 0.422 ' CE3' ' HB3' ' A' 1624 ' ' PRO . 2.0 t90 -129.25 126.41 39.02 Favored 'General case' 0 N--CA 1.421 -1.903 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 47.2 m80 -97.56 101.65 13.22 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 7.9 t -123.66 142.59 39.55 Favored Pre-proline 0 C--N 1.295 -1.765 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.423 -174.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -79.43 -3.74 13.19 Favored 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 122.633 2.222 . . . . 0.0 110.947 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 91.1 mt -84.39 -7.49 59.29 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 121.462 0.649 . . . . 0.0 110.361 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -95.2 7.36 46.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.887 0.851 . . . . 0.0 108.833 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 83.2 m -109.35 141.56 41.53 Favored 'General case' 0 N--CA 1.429 -1.518 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.33 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -87.54 83.09 7.3 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 121.867 0.841 . . . . 0.0 110.724 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 81.9 mt -94.57 102.44 14.37 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.022 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.572 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.744 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 CA--C 1.501 -0.918 0 CA-C-O 121.226 0.536 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -82.69 140.65 32.99 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.463 -177.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 14.8 m -69.73 -2.19 11.22 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.367 -177.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -75.58 -22.28 57.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.666 0.746 . . . . 0.0 109.694 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -129.83 67.98 1.45 Allowed 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -105.89 126.86 52.68 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.019 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -103.4 142.76 33.68 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 175.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -117.96 24.97 10.68 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1516 ' ' CYS . . . . . 0.637 ' SG ' ' HB2' ' A' 1529 ' ' LEU . 10.7 t 69.62 39.46 1.53 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 124.591 1.156 . . . . 0.0 110.39 174.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -152.02 130.06 11.84 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.06 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 65.8 t -119.6 136.66 56.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 28.0 m -101.74 125.04 48.33 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 43.5 t30 -98.44 113.21 63.9 Favored Pre-proline 0 C--N 1.315 -0.895 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.68 -16.02 53.13 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.083 2.522 . . . . 0.0 113.954 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.3 m -66.64 -40.86 88.89 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.697 0.284 . . . . 0.0 110.989 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 13.9 p -109.42 -30.87 7.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.57 0.7 . . . . 0.0 111.654 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 92.18 6.97 64.35 Favored Glycine 0 N--CA 1.437 -1.248 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -178.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -90.76 144.31 25.85 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -176.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 64.2 tp -97.37 132.5 43.03 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' A' 1647 ' ' GLU . 59.6 m-85 -105.37 114.56 28.81 Favored 'General case' 0 CA--C 1.485 -1.523 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 175.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.28 133.21 53.79 Favored 'General case' 0 C--N 1.292 -1.915 0 C-N-CA 118.318 -1.353 . . . . 0.0 109.647 177.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1529 ' ' LEU . . . . . 0.637 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 96.1 mt -106.5 9.47 31.58 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 171.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.8 m -63.76 -31.21 72.31 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 124.682 1.193 . . . . 0.0 108.87 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 29.2 m -63.7 -24.21 67.68 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.843 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 96.4 mt -104.47 -13.47 16.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.658 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 20.4 t -62.54 114.62 3.65 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 121.815 0.817 . . . . 0.0 109.693 -176.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -154.31 151.24 22.95 Favored Glycine 0 N--CA 1.409 -3.139 0 N-CA-C 108.411 -1.876 . . . . 0.0 108.411 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -84.37 -19.56 33.39 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 123.89 0.406 . . . . 0.0 111.747 -173.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -88.08 -29.25 20.78 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 174.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1537 ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 64.4 -115.99 8.52 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 114.047 -1.433 . . . . 0.0 113.276 174.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 55.9 t80 -146.69 141.51 26.89 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' 1548 ' ' VAL . 27.6 m -120.58 107.51 12.92 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -93.39 134.8 35.26 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.47 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -112.61 137.92 50.16 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1542 ' ' TYR . . . . . 0.476 ' HB2' ' HB2' ' A' 1546 ' ' TRP . 95.1 m-85 -126.91 141.62 51.76 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 120.839 0.352 . . . . 0.0 110.546 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -65.72 -15.94 63.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.091 -0.958 . . . . 0.0 113.097 -174.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -84.13 7.76 17.8 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.94 0.4 . . . . 0.0 111.564 176.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 87.08 39.32 7.47 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.157 176.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1546 ' ' TRP . . . . . 0.476 ' HB2' ' HB2' ' A' 1542 ' ' TYR . 11.2 m0 -122.61 147.77 46.03 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -147.33 136.85 6.29 Favored Glycine 0 C--N 1.293 -1.841 0 N-CA-C 108.33 -1.908 . . . . 0.0 108.33 177.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1548 ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' 1539 ' ' THR . 8.1 p -135.16 123.98 40.98 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 CA-C-N 117.91 0.855 . . . . 0.0 111.813 -177.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1549 ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' 1565 ' ' ALA . 58.9 m-85 -99.37 113.99 26.63 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 177.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1550 ' ' MET . . . . . 0.541 ' O ' ' HA3' ' A' 1537 ' ' GLY . 22.3 ptp -124.26 131.92 53.55 Favored 'General case' 0 C--N 1.289 -2.033 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.298 -179.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 21.4 t -94.97 149.87 20.78 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 106.301 -1.741 . . . . 0.0 106.301 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 50.0 mm -105.31 104.89 17.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.904 -177.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 73.4 m 67.95 43.62 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.381 -1.281 . . . . 0.0 112.152 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 179.01 -163.8 31.65 Favored Glycine 0 N--CA 1.434 -1.454 0 C-N-CA 120.466 -0.874 . . . . 0.0 111.151 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.26 147.7 22.93 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 120.732 0.301 . . . . 0.0 110.632 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -91.73 127.77 37.32 Favored 'General case' 0 CA--C 1.496 -1.129 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -174.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.26 -8.76 56.58 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -174.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -88.96 -15.45 34.2 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 176.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 86.0 m -105.23 160.36 26.26 Favored Pre-proline 0 C--N 1.303 -1.437 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.84 -176.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1560 ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' 1561 ' ' PRO . 85.0 Cg_exo -54.14 143.9 60.99 Favored 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 123.242 2.628 . . . . 0.0 111.1 175.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1561 ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 77.0 Cg_exo -50.33 101.41 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 124.24 3.293 . . . . 0.0 113.452 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 128.98 -18.89 5.55 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.016 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 58.5 t -88.49 132.9 32.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -105.04 -21.33 9.04 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.996 -176.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1565 ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' 1549 ' ' TYR . . . -142.68 134.27 26.58 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 120.895 0.379 . . . . 0.0 110.831 -178.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 84.5 m -128.32 137.67 52.05 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.056 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 89.0 t80 -122.5 140.08 53.15 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.263 0.554 . . . . 0.0 111.173 -176.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 95.41 171.76 36.48 Favored Glycine 0 N--CA 1.431 -1.689 0 CA-C-N 115.39 -0.823 . . . . 0.0 113.065 173.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -79.63 -14.8 58.55 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 121.699 0.761 . . . . 0.0 109.758 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 5.2 m -89.32 -1.63 58.13 Favored 'General case' 0 CA--C 1.557 1.248 0 CA-C-O 122.425 1.107 . . . . 0.0 109.269 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 52.47 49.93 19.37 Favored 'General case' 0 C--N 1.361 1.075 0 CA-C-N 113.894 -1.503 . . . . 0.0 112.214 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 77.1 mt -70.77 131.08 34.78 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.298 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 2.7 p -65.93 110.96 3.08 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.071 0.462 . . . . 0.0 110.265 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.452 HG23 ' HB3' ' A' 1606 ' ' TYR . 7.1 p -105.65 1.84 10.26 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.113 -174.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 179.87 139.66 3.84 Favored Glycine 0 N--CA 1.439 -1.125 0 C-N-CA 119.883 -1.151 . . . . 0.0 113.477 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 45.0 tptt -77.59 153.58 33.12 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 107.778 -1.194 . . . . 0.0 107.778 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -67.67 100.43 0.9 Allowed 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.903 0.481 . . . . 0.0 111.734 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 33.9 t30 -113.29 136.28 52.92 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.61 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.74 31.31 4.98 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.427 0.632 . . . . 0.0 111.983 -179.099 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -92.74 91.45 7.5 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' 1588 ' ' LEU . 40.9 tp -78.66 112.82 16.15 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.473 -177.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -106.86 129.27 54.73 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.495 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 84.5 t80 -96.7 105.02 17.06 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 174.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 17.0 m -136.11 138.61 47.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -176.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 32.8 t70 53.67 42.06 31.93 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 122.269 1.033 . . . . 0.0 110.678 178.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 7.1 mp0 66.11 8.7 5.69 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 114.623 -1.172 . . . . 0.0 113.556 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 19.3 m -124.56 161.83 27.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.167 0 O-C-N 121.61 -0.682 . . . . 0.0 110.51 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.549 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 0.5 OUTLIER -97.9 123.81 42.04 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.129 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -123.12 123.62 41.24 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -175.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 72.4 mt -116.77 123.13 46.4 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.591 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 60.1 t -112.11 112.12 39.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 CA-C-O 121.189 0.519 . . . . 0.0 110.042 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.4 94.39 7.79 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -106.69 175.55 5.46 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.628 -174.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 38.5 t70 61.53 60.37 1.67 Allowed 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 125.335 1.454 . . . . 0.0 111.749 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -87.91 -155.48 28.98 Favored Glycine 0 N--CA 1.416 -2.686 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 171.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 21.8 m -71.21 147.4 93.27 Favored Pre-proline 0 C--N 1.284 -2.263 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -59.97 135.02 60.22 Favored 'Trans proline' 0 C--O 1.248 1.02 0 C-N-CA 122.507 2.138 . . . . 0.0 110.068 174.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1598 ' ' CYS . . . . . 0.473 ' HB2' ' HB2' ' A' 1601 ' ' LYS . 34.2 m -70.07 122.45 86.18 Favored Pre-proline 0 C--N 1.287 -2.133 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.567 -178.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -67.8 -14.7 42.36 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.019 1.812 . . . . 0.0 112.75 -176.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 14.5 m -107.68 -8.08 16.22 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.411 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1601 ' ' LYS . . . . . 0.473 ' HB2' ' HB2' ' A' 1598 ' ' CYS . 75.3 mmtt -141.19 62.54 1.46 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.714 -1.588 . . . . 0.0 106.714 -177.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 13.6 m -58.54 133.37 55.76 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.544 -177.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 106.25 -26.89 18.93 Favored Glycine 0 N--CA 1.436 -1.342 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -175.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 5.7 mp -99.81 144.27 29.07 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 5.9 m -118.46 140.12 50.35 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.452 ' HB3' HG23 ' A' 1574 ' ' VAL . 85.8 m-85 -61.2 140.0 58.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -140.62 139.32 34.85 Favored 'General case' 0 C--O 1.245 0.856 0 O-C-N 123.841 0.713 . . . . 0.0 109.727 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 23.6 m -111.66 125.79 54.33 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.983 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 64.4 t -108.75 104.54 17.24 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 60.8 mt -99.79 116.48 43.12 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 20.1 m -111.11 116.62 31.42 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.993 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.549 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 65.1 m-85 -92.36 113.08 25.25 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 31.6 t -109.3 144.12 18.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -178.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 8.8 t -60.68 125.09 22.41 Favored 'General case' 0 C--O 1.249 1.053 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -145.66 95.38 4.94 Favored Pre-proline 0 N--CA 1.432 -1.343 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 172.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -75.48 1.0 8.45 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 122.83 2.353 . . . . 0.0 112.447 -178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -87.89 42.2 1.04 Allowed 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 124.119 0.968 . . . . 0.0 110.12 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -48.81 134.23 16.69 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 124.936 1.294 . . . . 0.0 112.729 -177.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 169.33 -128.49 1.68 Allowed Glycine 0 N--CA 1.427 -1.905 0 N-CA-C 107.801 -2.12 . . . . 0.0 107.801 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -80.9 10.4 3.39 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.726 2.284 . . . . 0.0 110.828 175.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 5.1 p -92.19 -15.95 26.91 Favored 'General case' 0 N--CA 1.432 -1.347 0 C-N-CA 125.371 1.469 . . . . 0.0 112.5 -176.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1622 ' ' ASN . . . . . 0.645 ' HA ' ' O ' ' A' 1641 ' ' HIS . 28.9 p-10 -84.89 40.84 0.83 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.682 0.753 . . . . 0.0 111.609 -174.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -110.99 140.94 23.22 Favored Pre-proline 0 C--N 1.295 -1.791 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.75 122.61 7.43 Favored 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 121.883 1.722 . . . . 0.0 109.986 175.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 84.3 mtp -105.78 147.15 28.95 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.8 tt -90.39 100.5 13.32 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.0 mm -80.65 -46.0 21.4 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.315 -174.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1628 ' ' SER . . . . . 0.408 ' HB2' ' CD1' ' A' 1637 ' ' PHE . 14.7 m -137.63 126.56 24.14 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.902 -178.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.18 95.54 5.91 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 177.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.4 t70 -100.91 101.36 12.16 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.178 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 64.8 mttp -84.47 1.32 46.07 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.78 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -77.93 -46.62 20.7 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 15.8 p -117.09 11.79 14.31 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.568 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.405 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 80.6 m 57.92 56.39 4.74 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.267 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 31.1 m -132.36 124.87 29.59 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.033 0.444 . . . . 0.0 110.417 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.22 121.13 43.2 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1637 ' ' PHE . . . . . 0.408 ' CD1' ' HB2' ' A' 1628 ' ' SER . 95.6 m-85 -95.19 108.25 20.37 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.057 -178.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -107.71 135.7 48.7 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.767 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 74.4 m -119.6 116.57 26.29 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 176.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1640 ' ' TRP . . . . . 0.402 ' CD1' ' HB ' ' A' 1642 ' ' THR . 2.2 t-105 -101.28 133.08 46.4 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1641 ' ' HIS . . . . . 0.645 ' O ' ' HA ' ' A' 1622 ' ' ASN . 81.9 m-70 -104.99 101.91 11.44 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 -178.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1642 ' ' THR . . . . . 0.402 ' HB ' ' CD1' ' A' 1640 ' ' TRP . 9.9 t -128.17 141.85 42.63 Favored Pre-proline 0 C--N 1.303 -1.456 0 CA-C-O 121.58 0.705 . . . . 0.0 111.267 -174.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.01 -11.46 25.44 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.43 2.754 . . . . 0.0 111.337 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 93.8 mt -77.51 -17.52 57.9 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.582 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -90.27 5.83 45.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.361 0.6 . . . . 0.0 110.378 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 63.0 m -93.74 146.85 23.56 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.735 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1647 ' ' GLU . . . . . 0.517 ' HB3' ' CE1' ' A' 1527 ' ' PHE . 10.2 pt-20 -122.31 75.13 1.21 Allowed 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 122.386 1.089 . . . . 0.0 111.127 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 39.3 tp -86.87 91.15 8.57 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.747 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -178.418 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 CA--C 1.507 -0.678 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 52.8 mtpt 59.28 22.97 11.33 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.786 1.234 . . . . 0.0 113.812 175.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 10.9 t 60.87 46.72 8.39 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 122.127 0.965 . . . . 0.0 109.824 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 9.1 t30 -80.09 -41.71 25.02 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.034 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -71.38 138.53 49.25 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.534 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -103.06 102.68 12.71 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 -177.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 57.46 50.5 11.14 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.1 0.96 . . . . 0.0 111.277 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -77.78 -61.41 2.0 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.745 -176.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 61.7 m 52.39 52.46 14.15 Favored 'General case' 0 C--O 1.252 1.191 0 C-N-CA 123.366 0.667 . . . . 0.0 111.795 -177.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' 1527 ' ' PHE . 13.5 pt20 -143.74 133.38 23.66 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.177 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 60.2 t -117.54 132.18 68.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.037 -177.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 9.9 m -101.34 120.51 40.37 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 175.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -86.99 111.1 38.18 Favored Pre-proline 0 C--N 1.305 -1.342 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.62 -10.2 25.54 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.303 2.669 . . . . 0.0 114.058 -175.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 31.9 t -80.81 -53.43 6.49 Favored 'General case' 0 N--CA 1.433 -1.307 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 45.6 p -94.39 -30.28 14.56 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.001 0.429 . . . . 0.0 112.126 -178.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 94.56 10.71 57.76 Favored Glycine 0 N--CA 1.441 -1.03 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.856 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 12.0 t60 -88.62 139.48 30.43 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 122.389 -0.477 . . . . 0.0 110.41 -177.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 62.2 tp -101.54 112.78 25.44 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.553 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.432 ' O ' ' HA ' ' A' 1517 ' ' GLN . 91.2 m-85 -95.7 106.94 19.11 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.452 -177.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 3.6 p30 -116.99 154.17 31.36 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 72.8 mt -119.76 28.57 8.05 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.59 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 46.3 p -55.96 -33.76 65.07 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 21.3 p -73.85 -27.76 61.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.27 0.557 . . . . 0.0 111.428 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 77.5 mt -96.24 -0.21 50.11 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 33.9 m -82.92 97.92 8.93 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-O 121.107 0.48 . . . . 0.0 109.775 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -107.6 136.86 13.69 Favored Glycine 0 N--CA 1.435 -1.396 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -81.36 -22.37 38.46 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -84.27 -27.12 28.1 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 173.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 95.37 -159.52 22.56 Favored Glycine 0 N--CA 1.414 -2.794 0 CA-C-N 113.687 -1.597 . . . . 0.0 109.927 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -125.11 136.81 54.0 Favored 'General case' 0 C--N 1.278 -2.531 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.53 ' HA ' ' O ' ' A' 1548 ' ' VAL . 41.2 m -126.72 107.21 9.96 Favored 'General case' 0 C--N 1.282 -2.327 0 C-N-CA 120.094 -0.643 . . . . 0.0 110.227 178.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -96.51 106.84 19.15 Favored 'General case' 0 N--CA 1.421 -1.906 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 175.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1541 ' ' ALA . . . . . 0.433 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -95.9 104.67 16.61 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 121.175 0.512 . . . . 0.0 110.126 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -80.68 145.1 31.78 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -74.58 35.45 0.1 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.867 0.867 . . . . 0.0 112.908 -174.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.63 3.02 12.38 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 87.04 29.32 23.27 Favored Glycine 0 N--CA 1.442 -0.933 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -176.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 85.0 m95 -123.68 94.29 4.19 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-O 121.306 0.574 . . . . 0.0 111.54 -178.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1547 ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . -86.54 107.39 3.2 Favored Glycine 0 N--CA 1.434 -1.457 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 172.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1548 ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' A' 1539 ' ' THR . 23.1 t -92.42 108.33 20.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.754 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -91.07 104.02 16.65 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.5 ptm -119.69 137.05 54.15 Favored 'General case' 0 C--N 1.278 -2.515 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.622 -175.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 34.5 t -96.94 149.64 21.66 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 50.7 mm -125.65 105.33 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 52.5 t 74.97 91.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 111.203 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 97.62 -157.38 20.78 Favored Glycine 0 N--CA 1.437 -1.269 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.268 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.47 149.31 26.3 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-O 120.901 0.381 . . . . 0.0 110.58 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -105.26 141.49 36.7 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.47 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.35 -0.13 24.48 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.304 -176.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -90.85 6.5 44.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.185 0.993 . . . . 0.0 108.765 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 62.1 m -137.11 164.07 44.75 Favored Pre-proline 0 N--CA 1.429 -1.48 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 175.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -63.44 128.06 21.51 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 121.648 1.565 . . . . 0.0 109.335 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -50.44 104.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 123.324 2.683 . . . . 0.0 112.596 -177.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 137.55 -28.39 2.77 Favored Glycine 0 N--CA 1.429 -1.811 0 N-CA-C 108.588 -1.805 . . . . 0.0 108.588 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 87.0 t -88.27 143.45 11.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 174.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -124.21 9.48 8.37 Favored Glycine 0 N--CA 1.44 -1.093 0 C-N-CA 119.64 -1.267 . . . . 0.0 112.896 -176.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -165.52 129.64 2.32 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 120.914 0.388 . . . . 0.0 110.386 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 63.8 m -129.87 132.75 46.54 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 35.2 t80 -109.56 115.91 30.78 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.59 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 94.26 175.71 39.07 Favored Glycine 0 N--CA 1.429 -1.829 0 C-N-CA 120.925 -0.655 . . . . 0.0 113.247 173.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -71.42 -23.79 61.92 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 123.596 0.758 . . . . 0.0 109.163 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 18.5 m -73.68 -11.39 60.4 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.495 177.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 60.81 41.07 15.17 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.106 0.962 . . . . 0.0 111.782 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.6 116.65 2.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 20.2 p -64.72 110.82 2.51 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-O 121.427 0.632 . . . . 0.0 110.733 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.828 HG23 ' HB3' ' A' 1606 ' ' TYR . 14.4 p -112.32 18.06 7.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 CA-C-O 122.242 1.02 . . . . 0.0 109.735 -174.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 169.55 137.92 2.37 Favored Glycine 0 N--CA 1.429 -1.786 0 C-N-CA 120.197 -1.002 . . . . 0.0 113.397 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 45.1 tptt -84.12 150.46 25.53 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 106.611 -1.626 . . . . 0.0 106.611 176.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -58.48 129.45 42.12 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 123.635 0.774 . . . . 0.0 112.557 -176.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -129.12 140.74 51.43 Favored 'General case' 0 C--O 1.253 1.274 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 24.0 pttm -136.89 15.79 3.07 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.544 0.687 . . . . 0.0 110.109 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -96.61 93.29 6.67 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.497 -178.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 17.3 mt -75.86 131.29 39.61 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 120.742 0.306 . . . . 0.0 111.646 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -119.8 138.77 53.15 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 173.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1583 ' ' TYR . . . . . 0.572 ' CZ ' ' HA ' ' A' 1586 ' ' GLN . 22.9 t80 -112.8 100.91 9.04 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -176.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 14.4 m -119.74 112.32 36.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.088 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.3 t70 59.92 48.97 8.26 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 122.403 1.097 . . . . 0.0 111.237 177.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1586 ' ' GLN . . . . . 0.572 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 50.7 mt-30 65.71 19.64 11.42 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 114.419 -1.264 . . . . 0.0 112.112 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 62.6 t -125.34 125.65 69.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.494 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 76.2 mt -85.14 140.17 31.14 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 175.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -136.74 134.74 37.45 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 119.627 -0.829 . . . . 0.0 111.591 -176.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 83.6 mt -130.08 123.84 31.4 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 124.952 1.301 . . . . 0.0 108.714 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.7 p -113.49 111.86 37.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 CA-C-O 121.978 0.894 . . . . 0.0 111.469 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -92.67 91.08 7.36 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 54.0 pttt -112.54 169.3 8.98 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.252 -175.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 35.7 t70 68.6 88.83 0.11 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.954 1.301 . . . . 0.0 112.231 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -132.77 -122.17 2.3 Favored Glycine 0 N--CA 1.425 -2.048 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 38.7 m -76.55 145.75 75.94 Favored Pre-proline 0 C--N 1.298 -1.655 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -74.98 141.78 27.11 Favored 'Trans proline' 0 C--O 1.243 0.746 0 C-N-CA 122.65 2.233 . . . . 0.0 110.771 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 60.3 m -83.27 118.11 70.61 Favored Pre-proline 0 C--N 1.3 -1.584 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.131 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -69.29 -22.65 33.96 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.455 2.103 . . . . 0.0 109.717 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 1.5 m -64.25 -34.01 77.14 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.143 -1.389 . . . . 0.0 110.455 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -154.22 103.63 2.55 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.66 -176.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 11.5 m -62.47 110.09 1.57 Allowed 'General case' 0 C--N 1.307 -1.273 0 C-N-CA 123.757 0.823 . . . . 0.0 110.407 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 134.79 -27.32 3.21 Favored Glycine 0 N--CA 1.435 -1.416 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 90.5 mt -97.89 157.59 16.01 Favored 'General case' 0 C--O 1.253 1.253 0 CA-C-O 121.332 0.587 . . . . 0.0 110.833 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 36.1 t -136.65 152.13 50.07 Favored 'General case' 0 N--CA 1.418 -2.047 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.828 ' HB3' HG23 ' A' 1574 ' ' VAL . 96.9 m-85 -65.15 131.97 47.93 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.568 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -138.23 143.92 40.35 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.961 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 19.7 m -116.98 119.88 36.67 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.792 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 48.3 t -103.9 110.02 28.94 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 67.0 mt -101.33 125.84 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.237 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 16.8 p -121.27 124.67 45.18 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.668 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.494 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 76.8 m-85 -101.28 101.14 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 42.2 t -84.27 132.59 31.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.881 -175.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1614 ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' 1586 ' ' GLN . 43.8 t -62.32 105.22 0.58 Allowed 'General case' 0 C--O 1.242 0.675 0 O-C-N 124.068 0.855 . . . . 0.0 110.116 176.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -129.39 91.32 41.78 Favored Pre-proline 0 C--N 1.305 -1.332 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -59.4 -37.08 92.13 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 123.153 2.569 . . . . 0.0 112.967 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -100.89 34.25 2.54 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-O 120.964 0.411 . . . . 0.0 111.386 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -70.62 163.17 27.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.548 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -163.6 -107.78 0.21 Allowed Glycine 0 C--N 1.302 -1.359 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 -177.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -59.39 -20.52 56.6 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.663 2.242 . . . . 0.0 113.401 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 70.2 p -92.32 14.82 15.31 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -83.68 49.33 1.58 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 122.506 1.146 . . . . 0.0 108.451 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -136.09 144.62 48.94 Favored Pre-proline 0 C--N 1.307 -1.261 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -67.04 122.22 9.51 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 121.843 1.695 . . . . 0.0 110.297 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 15.0 tpt -109.88 138.89 45.61 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.216 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.7 tt -83.72 103.86 13.37 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 105.423 -2.066 . . . . 0.0 105.423 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.0 mm -82.03 -50.09 16.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.248 -174.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 21.2 t -137.72 134.16 35.01 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.89 97.09 6.78 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 20.7 t70 -103.04 101.59 11.57 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 118.921 -1.112 . . . . 0.0 110.224 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -84.21 -7.09 59.45 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.861 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -76.81 -49.9 14.76 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.97 0.414 . . . . 0.0 110.627 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 46.0 p -98.89 6.38 46.81 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 121.484 0.659 . . . . 0.0 110.643 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 59.6 m 59.1 45.48 14.53 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.297 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 18.1 m -122.73 118.21 27.52 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.144 -176.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.08 125.74 49.94 Favored 'General case' 0 N--CA 1.428 -1.562 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -98.19 120.23 38.23 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.426 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -117.44 138.89 51.54 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 10.9 t -133.14 141.03 47.93 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.3 t90 -124.31 128.8 49.67 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 66.6 m170 -90.26 105.44 17.81 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 174.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 4.2 t -132.34 137.37 29.83 Favored Pre-proline 0 C--N 1.301 -1.515 0 CA-C-O 121.257 0.551 . . . . 0.0 111.69 -177.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.28 -3.25 12.5 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 122.555 2.17 . . . . 0.0 111.046 174.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.58 -12.26 56.33 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.098 0.475 . . . . 0.0 110.651 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -86.03 -10.01 55.77 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 42.2 m -100.17 157.6 16.46 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -102.77 111.29 23.55 Favored 'General case' 0 C--N 1.294 -1.819 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.378 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 93.5 mt -110.5 140.17 45.03 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.691 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 177.655 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 121.738 0.78 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 61.2 tttm -149.93 118.73 6.61 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 30.5 m -146.43 35.82 0.98 Allowed 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 121.599 0.714 . . . . 0.0 110.068 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -90.08 25.33 2.18 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.667 0.746 . . . . 0.0 110.653 -177.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.08 -15.29 61.06 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.429 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 43.7 m80 -83.39 65.61 8.43 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 25.6 t70 -108.02 48.14 0.86 Allowed 'General case' 0 C--N 1.294 -1.815 0 CA-C-O 122.366 1.079 . . . . 0.0 109.126 -174.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 22.0 t70 -103.67 53.29 0.76 Allowed 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 106.108 -1.812 . . . . 0.0 106.108 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 83.4 m 67.68 59.65 0.47 Allowed 'General case' 0 C--O 1.25 1.081 0 CA-C-N 113.72 -1.582 . . . . 0.0 111.292 -175.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.402 ' CG ' HD11 ' A' 1526 ' ' LEU . 28.1 tt0 -150.93 134.43 16.31 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 114.341 -1.3 . . . . 0.0 108.687 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 90.2 t -133.45 137.4 53.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 18.2 m -116.09 130.96 57.05 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1520 ' ' ASN . . . . . 0.45 ' HA ' ' HD3' ' A' 1521 ' ' PRO . 29.9 p30 -94.26 131.89 30.35 Favored Pre-proline 0 C--N 1.312 -1.05 0 C-N-CA 119.517 -0.873 . . . . 0.0 109.933 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1521 ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' 1520 ' ' ASN . 3.7 Cg_exo -79.66 -5.92 14.2 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 121.922 1.748 . . . . 0.0 111.91 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 14.9 m -74.39 -57.86 3.67 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.959 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 3.9 p -115.14 -7.42 12.45 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 82.64 17.92 67.15 Favored Glycine 0 N--CA 1.441 -1.02 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.824 176.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 27.9 m170 -91.98 140.86 29.24 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.206 0.527 . . . . 0.0 111.683 -177.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1526 ' ' LEU . . . . . 0.402 HD11 ' CG ' ' A' 1517 ' ' GLN . 59.3 tp -98.49 130.17 45.08 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.854 -176.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -113.4 132.81 55.48 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 4.0 p30 -150.33 157.09 42.67 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 120.634 -0.426 . . . . 0.0 109.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.6 mt -118.13 27.42 9.0 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 16.4 m -71.44 -9.17 57.75 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -173.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 28.5 p -91.57 -17.04 26.22 Favored 'General case' 0 C--N 1.309 -1.16 0 O-C-N 121.76 -0.588 . . . . 0.0 111.406 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 95.7 mt -106.73 -16.51 14.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.961 0.41 . . . . 0.0 110.624 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 30.0 p -59.67 124.38 19.93 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.737 0.815 . . . . 0.0 112.029 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -172.01 147.9 10.42 Favored Glycine 0 N--CA 1.425 -2.051 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -78.62 -18.24 54.82 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -175.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -85.89 -29.62 23.52 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1537 ' ' GLY . . . . . 0.451 ' HA3' ' HA ' ' A' 1551 ' ' SER . . . 69.14 -110.28 3.3 Favored Glycine 0 N--CA 1.433 -1.513 0 CA-C-N 114.263 -1.335 . . . . 0.0 113.734 174.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 57.1 t80 -163.64 132.12 3.75 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 59.4 m -91.53 107.84 19.49 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -98.35 105.66 17.84 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -101.14 127.22 47.79 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.309 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1542 ' ' TYR . . . . . 0.484 ' HB2' ' HB2' ' A' 1546 ' ' TRP . 64.2 m-85 -107.98 96.07 6.12 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . 64.55 30.98 12.63 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 124.532 1.133 . . . . 0.0 110.883 -178.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' 1544 ' ' LYS . 33.3 mmtp 67.84 -52.15 0.52 Allowed 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -178.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -55.15 -47.81 71.81 Favored Glycine 0 N--CA 1.468 0.77 0 N-CA-C 111.666 -0.574 . . . . 0.0 111.666 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1546 ' ' TRP . . . . . 0.484 ' HB2' ' HB2' ' A' 1542 ' ' TYR . 44.8 m0 -84.31 63.01 7.52 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.549 0.69 . . . . 0.0 109.191 175.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -79.31 95.1 1.41 Allowed Glycine 0 N--CA 1.429 -1.795 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 176.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 89.8 t -85.31 102.45 11.15 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 CA-C-O 121.739 0.78 . . . . 0.0 109.812 -178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -84.33 105.02 14.85 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.5 ptm -122.57 130.04 52.58 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-O 121.374 0.607 . . . . 0.0 111.255 -176.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1551 ' ' SER . . . . . 0.451 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 17.1 t -88.85 150.4 22.91 Favored 'General case' 0 N--CA 1.423 -1.789 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 176.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 45.9 mm -108.27 93.72 2.68 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 36.1 t 70.18 61.25 0.24 Allowed 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 124.631 1.207 . . . . 0.0 110.377 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 169.25 -170.54 42.62 Favored Glycine 0 N--CA 1.428 -1.858 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -93.05 135.16 34.47 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -77.24 130.45 37.25 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.073 -175.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.47 -23.65 61.08 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.096 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 16.0 m120 -82.4 -1.38 49.83 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.067 0.46 . . . . 0.0 110.174 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 76.7 m -130.58 166.56 26.19 Favored Pre-proline 0 C--N 1.307 -1.257 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -59.52 144.45 99.42 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 122.321 2.014 . . . . 0.0 111.001 173.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -54.95 118.64 5.37 Favored 'Trans proline' 0 C--O 1.245 0.874 0 C-N-CA 123.532 2.822 . . . . 0.0 113.09 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 121.48 -20.48 8.32 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.541 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 60.4 t -88.24 134.57 27.73 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -95.41 -29.97 8.48 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.644 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -150.13 145.69 26.47 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 122.389 -0.477 . . . . 0.0 110.823 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 73.7 m -130.28 133.83 46.78 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 123.162 0.585 . . . . 0.0 109.469 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 89.2 t80 -97.68 125.91 42.72 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -178.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 85.05 165.48 40.23 Favored Glycine 0 N--CA 1.429 -1.82 0 CA-C-N 115.344 -0.843 . . . . 0.0 113.18 172.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.61 -17.81 64.75 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.454 0.645 . . . . 0.0 109.87 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 6.4 m -71.8 -15.51 62.16 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.022 176.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 62.74 46.13 5.42 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.854 1.662 . . . . 0.0 111.672 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.96 115.09 19.4 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 3.8 p -55.98 115.57 2.48 Favored 'General case' 0 C--N 1.314 -0.975 0 O-C-N 123.634 0.584 . . . . 0.0 111.587 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.685 HG23 ' HB3' ' A' 1606 ' ' TYR . 14.4 p -113.24 24.62 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.291 0 CA-C-O 122.249 1.023 . . . . 0.0 110.812 -175.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 154.27 148.18 4.88 Favored Glycine 0 C--O 1.242 0.626 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.694 174.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' 1594 ' ' ASP . 47.7 mmtm -81.49 153.48 26.82 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 123.454 0.702 . . . . 0.0 109.704 176.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -69.56 108.97 4.04 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.571 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 13.4 m120 -122.88 155.08 37.38 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -130.95 27.85 4.86 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.13 0.49 . . . . 0.0 111.616 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -95.51 115.76 27.88 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.562 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.572 HD22 ' HB3' ' A' 1588 ' ' LEU . 25.4 mt -94.33 132.26 39.11 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.603 0.716 . . . . 0.0 111.613 175.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -114.67 125.85 54.21 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 173.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1583 ' ' TYR . . . . . 0.542 ' CZ ' ' HA ' ' A' 1586 ' ' GLN . 42.3 t80 -102.8 100.28 10.28 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 16.3 m -123.76 113.36 36.83 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.881 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.1 t70 52.29 55.15 9.57 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.97 1.308 . . . . 0.0 111.609 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1586 ' ' GLN . . . . . 0.542 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 83.6 mt-30 64.86 26.64 12.89 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 114.125 -1.398 . . . . 0.0 112.921 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 62.0 t -128.82 130.24 68.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.572 ' HB3' HD22 ' A' 1581 ' ' LEU . 74.0 mt -92.7 117.05 29.58 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 173.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -104.95 126.24 51.8 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 28.8 mt -114.79 123.74 49.98 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 169.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1591 ' ' VAL . . . . . 0.471 ' HA ' ' O ' ' A' 1608 ' ' SER . 7.4 p -120.06 115.89 48.72 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.813 177.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -89.57 101.15 13.83 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 175.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -101.05 157.01 17.08 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.56 -174.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1594 ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' A' 1576 ' ' LYS . 34.1 t70 70.62 75.73 0.2 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.007 1.323 . . . . 0.0 112.991 178.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -98.13 -136.66 9.32 Favored Glycine 0 N--CA 1.423 -2.178 0 N-CA-C 110.154 -1.179 . . . . 0.0 110.154 172.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1596 ' ' SER . . . . . 0.449 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 49.5 m -78.55 145.89 68.42 Favored Pre-proline 0 C--N 1.295 -1.787 0 CA-C-O 120.582 0.229 . . . . 0.0 110.993 178.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1597 ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' 1596 ' ' SER . 28.1 Cg_exo -64.59 130.6 26.97 Favored 'Trans proline' 0 C--O 1.25 1.085 0 C-N-CA 123.068 2.512 . . . . 0.0 110.7 175.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1598 ' ' CYS . . . . . 0.469 ' HA ' ' HD3' ' A' 1599 ' ' PRO . 63.8 m -71.33 124.48 91.04 Favored Pre-proline 0 C--N 1.302 -1.459 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.235 -176.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1599 ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 18.4 Cg_exo -68.98 -36.57 12.63 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 122.942 2.428 . . . . 0.0 111.27 178.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 32.3 m -87.31 -13.7 42.91 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.317 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1601 ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' 1598 ' ' CYS . 56.3 tptt -135.38 81.86 1.92 Allowed 'General case' 0 N--CA 1.438 -1.066 0 CA-C-O 121.798 0.809 . . . . 0.0 110.4 -175.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 9.5 m -65.18 111.37 2.92 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 114.539 -1.21 . . . . 0.0 109.336 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 127.02 -11.03 6.95 Favored Glycine 0 N--CA 1.435 -1.404 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.994 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 76.6 mt -127.52 158.35 37.66 Favored 'General case' 0 C--O 1.246 0.902 0 CA-C-O 121.319 0.58 . . . . 0.0 111.562 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 36.5 m -130.73 142.81 50.43 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.685 ' HB3' HG23 ' A' 1574 ' ' VAL . 99.1 m-85 -59.19 139.68 56.69 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 123.944 0.778 . . . . 0.0 113.01 -175.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -130.9 151.12 51.67 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.915 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1608 ' ' SER . . . . . 0.471 ' O ' ' HA ' ' A' 1591 ' ' VAL . 32.3 m -114.78 113.85 24.8 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 120.937 0.399 . . . . 0.0 110.727 176.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 65.6 t -102.86 107.45 22.05 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 56.9 mt -101.39 114.1 39.59 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 8.5 t -100.93 100.65 11.31 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.279 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.554 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 93.3 m-85 -88.74 99.7 12.56 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.5 t -88.88 132.7 33.04 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -175.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1614 ' ' CYS . . . . . 0.505 ' HB3' ' HB3' ' A' 1586 ' ' GLN . 22.6 t -56.13 99.51 0.03 OUTLIER 'General case' 0 C--O 1.244 0.791 0 O-C-N 124.427 1.08 . . . . 0.0 109.54 174.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1615 ' ' ARG . . . . . 0.436 ' HD3' ' HA ' ' A' 1615 ' ' ARG . 36.1 mmt180 -127.45 98.51 28.9 Favored Pre-proline 0 N--CA 1.42 -1.946 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.341 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -70.11 -12.42 32.2 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.26 2.64 . . . . 0.0 110.62 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1617 ' ' GLU . . . . . 0.405 ' H ' ' HG2' ' A' 1617 ' ' GLU . 8.9 pt-20 -80.6 41.59 0.56 Allowed 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.833 1.653 . . . . 0.0 110.011 176.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -66.53 -179.42 0.83 Allowed 'General case' 0 C--O 1.242 0.68 0 C-N-CA 125.161 1.384 . . . . 0.0 112.851 -176.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 112.56 -118.1 4.53 Favored Glycine 0 N--CA 1.433 -1.523 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.16 -10.15 25.44 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.265 1.977 . . . . 0.0 111.433 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1621 ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' 1641 ' ' HIS . 1.5 m -83.26 -16.32 46.82 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.843 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 60.2 t30 -79.52 64.49 4.42 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 122.052 0.929 . . . . 0.0 109.641 -176.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -133.69 144.39 51.76 Favored Pre-proline 0 C--N 1.31 -1.111 0 CA-C-N 115.146 -0.933 . . . . 0.0 109.705 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -75.9 127.68 10.25 Favored 'Trans proline' 0 C--O 1.247 0.932 0 C-N-CA 122.439 2.093 . . . . 0.0 108.977 170.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 50.3 ttm -134.45 131.17 37.8 Favored 'General case' 0 C--N 1.291 -1.939 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.688 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1626 ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' 1637 ' ' PHE . 42.2 tp -70.7 117.99 12.92 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 173.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 46.9 mm -91.57 -41.22 13.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 -176.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.1 t -152.21 138.53 18.46 Favored 'General case' 0 N--CA 1.432 -1.348 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.293 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.25 104.93 15.11 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 105.844 -1.91 . . . . 0.0 105.844 177.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -107.08 102.52 11.85 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 119.747 -0.781 . . . . 0.0 109.595 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -84.22 -3.27 58.07 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.105 0.479 . . . . 0.0 110.814 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -86.45 -50.84 6.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.034 0.445 . . . . 0.0 110.252 -177.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 41.7 p -96.17 2.03 52.76 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.574 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 76.8 m 60.16 47.12 9.73 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 114.368 -1.287 . . . . 0.0 111.21 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 36.2 m -120.28 123.35 42.97 Favored 'General case' 0 N--CA 1.418 -2.063 0 CA-C-O 121.337 0.589 . . . . 0.0 111.122 -175.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.429 ' HB3' ' CE2' ' A' 1638 ' ' PHE . 4.1 mm? -96.35 116.8 29.62 Favored 'General case' 0 N--CA 1.424 -1.763 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 174.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1637 ' ' PHE . . . . . 0.437 ' O ' HD12 ' A' 1626 ' ' LEU . 93.9 m-85 -99.52 107.85 20.13 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.336 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1638 ' ' PHE . . . . . 0.429 ' CE2' ' HB3' ' A' 1636 ' ' LEU . 88.1 m-85 -114.5 141.19 48.03 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 25.8 t -128.02 144.0 51.09 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -125.53 136.47 53.37 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1641 ' ' HIS . . . . . 0.468 ' HB2' ' O ' ' A' 1621 ' ' THR . 37.0 m-70 -104.95 103.49 13.06 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -178.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 6.9 t -139.67 143.99 37.36 Favored Pre-proline 0 C--N 1.313 -0.995 0 CA-C-O 121.398 0.618 . . . . 0.0 111.961 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.31 -1.1 11.27 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 123.242 2.628 . . . . 0.0 111.455 175.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 95.6 mt -75.95 -11.27 59.93 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.372 0.606 . . . . 0.0 110.397 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.88 8.84 43.48 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.683 0.754 . . . . 0.0 109.297 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 58.3 m -109.79 163.61 13.35 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -75.97 77.02 2.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.289 0.566 . . . . 0.0 110.216 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 47.0 tp -136.38 152.48 50.67 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.287 -2.137 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 52.0 ttm . . . . . 0 C--O 1.24 0.59 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 62.4 tttm 66.25 41.26 3.48 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 122.046 0.927 . . . . 0.0 109.326 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 24.0 p -80.46 -26.79 38.1 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.884 -177.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 9.5 t30 -73.85 -48.02 34.12 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.812 0.815 . . . . 0.0 109.859 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.95 64.55 1.43 Allowed 'General case' 0 C--N 1.29 -2.021 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.085 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -72.44 134.65 45.48 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.483 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1514 ' ' ASP . . . . . 0.441 ' HA ' ' HD2' ' A' 1579 ' ' LYS . 7.2 m-20 -76.74 102.19 6.13 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.858 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -90.07 -57.33 2.89 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 174.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 4.8 t 50.84 47.68 24.22 Favored 'General case' 0 C--O 1.255 1.391 0 C-N-CA 124.253 1.021 . . . . 0.0 111.221 174.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -150.98 142.22 23.24 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.567 -178.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 58.2 t -116.78 137.33 50.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 18.6 m -134.35 118.57 17.62 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 174.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 15.2 m120 -84.15 111.46 33.63 Favored Pre-proline 0 C--N 1.3 -1.573 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -59.15 -25.84 79.54 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.224 2.616 . . . . 0.0 112.264 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 4.8 p -65.17 -60.93 2.47 Favored 'General case' 0 N--CA 1.424 -1.766 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.473 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 23.2 p -87.58 -42.14 12.93 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 107.39 -4.78 35.23 Favored Glycine 0 N--CA 1.435 -1.37 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.157 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . 0.271 4.6 p-80 -81.0 143.32 32.61 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -176.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 44.5 tp -107.6 136.01 48.08 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 124.965 1.306 . . . . 0.0 111.162 -174.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -115.12 128.79 56.43 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 174.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 8.0 t70 -135.67 136.2 40.73 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 85.9 mt -117.76 23.09 11.93 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 177.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1530 ' ' SER . . . . . 0.469 ' HA ' ' OG ' ' A' 1533 ' ' SER . 29.5 t -63.96 -23.92 67.52 Favored 'General case' 0 C--O 1.248 1.025 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -175.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 36.6 p -77.07 -20.85 55.29 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 120.795 0.331 . . . . 0.0 111.285 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 87.9 mt -105.94 -18.46 14.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.742 0.306 . . . . 0.0 111.174 -177.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1533 ' ' SER . . . . . 0.469 ' OG ' ' HA ' ' A' 1530 ' ' SER . 50.7 p -75.95 119.12 19.48 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.374 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -149.33 154.7 25.92 Favored Glycine 0 N--CA 1.427 -1.907 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1535 ' ' ARG . . . . . 0.573 ' O ' ' HA ' ' A' 1556 ' ' ASN . 27.1 mmt180 -74.34 -25.72 59.7 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.35 0.575 . . . . 0.0 110.114 -175.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -82.82 -34.53 26.9 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.29 0.567 . . . . 0.0 109.986 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1537 ' ' GLY . . . . . 0.457 ' HA3' ' HA ' ' A' 1551 ' ' SER . . . 69.97 -114.15 5.39 Favored Glycine 0 N--CA 1.436 -1.301 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.934 175.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 55.2 t80 -148.12 138.49 22.81 Favored 'General case' 0 N--CA 1.427 -1.624 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 55.4 m -107.47 116.58 32.19 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -112.76 108.8 17.94 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.865 -178.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -93.19 104.59 16.77 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1542 ' ' TYR . . . . . 0.458 ' CZ ' ' HB2' ' A' 1626 ' ' LEU . 97.6 m-85 -88.5 140.88 29.01 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -75.12 50.01 0.47 Allowed 'General case' 0 C--N 1.316 -0.872 0 O-C-N 123.902 0.751 . . . . 0.0 112.103 -176.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 22.4 tptm -144.21 22.47 1.7 Allowed 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 177.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 71.94 34.08 62.28 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 114.542 -1.208 . . . . 0.0 112.414 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1546 ' ' TRP . . . . . 0.402 ' HB2' ' HB2' ' A' 1542 ' ' TYR . 35.2 m0 -121.06 98.76 6.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.967 0.384 . . . . 0.0 111.095 -178.092 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -93.42 92.71 1.64 Allowed Glycine 0 N--CA 1.436 -1.319 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 174.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 57.7 t -86.64 121.74 37.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 CA-C-O 121.031 0.443 . . . . 0.0 110.423 -176.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -104.49 104.7 14.6 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 17.0 ptm -127.18 137.4 52.93 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.296 -172.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1551 ' ' SER . . . . . 0.457 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 30.9 t -94.38 150.8 19.93 Favored 'General case' 0 N--CA 1.429 -1.51 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 1.9 mp -105.45 104.53 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.607 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 176.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 35.7 t 67.71 67.02 0.37 Allowed 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.395 1.059 . . . . 0.0 110.074 175.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 151.65 -149.07 20.75 Favored Glycine 0 N--CA 1.424 -2.112 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.738 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1555 ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' 1555 ' ' GLU . 0.3 OUTLIER -107.19 151.95 24.73 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 125.197 1.399 . . . . 0.0 110.446 -176.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.573 ' HA ' ' O ' ' A' 1535 ' ' ARG . 3.2 t-20 -100.81 113.2 25.91 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -66.56 -11.0 50.95 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 17.5 m120 -82.94 1.77 37.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.766 0.793 . . . . 0.0 109.382 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 78.9 m -135.21 177.28 2.31 Favored Pre-proline 0 C--N 1.297 -1.677 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -56.53 128.52 30.41 Favored 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 121.444 1.43 . . . . 0.0 110.404 173.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -59.89 99.79 0.13 Allowed 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 122.759 2.306 . . . . 0.0 110.627 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 152.68 -25.8 0.84 Allowed Glycine 0 N--CA 1.425 -2.048 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 -176.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 54.8 t -88.26 137.58 20.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 174.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -101.02 -23.95 9.41 Favored Glycine 0 C--N 1.312 -0.782 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.73 -176.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -151.79 137.57 17.98 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 120.962 0.411 . . . . 0.0 110.528 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1566 ' ' CYS . . . . . 0.414 ' HB3' ' HA ' ' A' 1571 ' ' ARG . 71.9 m -123.77 133.37 53.85 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.837 178.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 87.7 t80 -97.87 116.85 30.91 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.372 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 80.81 173.29 46.99 Favored Glycine 0 N--CA 1.437 -1.291 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.641 175.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -72.63 -13.52 61.39 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.342 0.591 . . . . 0.0 109.857 177.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 18.8 m -72.07 -16.74 62.03 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 121.929 0.871 . . . . 0.0 109.535 174.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1571 ' ' ARG . . . . . 0.414 ' HA ' ' HB3' ' A' 1566 ' ' CYS . 99.4 mtt180 60.5 40.93 16.42 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 125.208 1.403 . . . . 0.0 112.786 176.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 65.4 mt -72.4 129.97 35.58 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 5.7 p -61.56 110.8 1.58 Allowed 'General case' 0 N--CA 1.434 -1.231 0 CA-C-O 121.517 0.675 . . . . 0.0 111.518 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.699 HG23 ' HB3' ' A' 1606 ' ' TYR . 11.0 p -113.19 17.18 7.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-O 122.537 1.161 . . . . 0.0 108.937 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 167.58 136.1 1.98 Allowed Glycine 0 N--CA 1.426 -1.971 0 CA-C-N 114.492 -1.231 . . . . 0.0 112.704 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 27.3 tptp -86.34 149.16 25.23 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -56.68 120.82 8.45 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -176.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 31.9 t30 -138.23 136.97 37.08 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1579 ' ' LYS . . . . . 0.441 ' HD2' ' HA ' ' A' 1514 ' ' ASP . 20.1 pttm -130.71 15.06 5.38 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 121.728 0.775 . . . . 0.0 109.899 -177.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -90.57 107.99 19.52 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.268 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 41.3 mt -79.78 137.91 37.12 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.993 176.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -122.19 113.23 19.19 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 88.3 t80 -85.5 100.2 11.74 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 28.2 m -135.64 141.11 43.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.351 -177.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 20.9 t70 57.46 37.52 27.84 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 122.244 1.021 . . . . 0.0 110.871 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 64.94 16.8 10.75 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 114.52 -1.218 . . . . 0.0 113.105 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 33.2 m -134.12 163.77 36.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 91.7 mt -96.28 117.23 30.38 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -100.71 124.57 46.5 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.936 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 21.6 mt -114.72 123.04 48.26 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 169.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.7 p -128.43 123.8 60.61 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.273 0 CA-C-O 121.274 0.559 . . . . 0.0 109.973 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1592 ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' 1607 ' ' LYS . 78.6 m-85 -102.86 102.93 13.06 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -98.24 -174.84 2.95 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 60.77 54.94 3.41 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 121.664 0.745 . . . . 0.0 112.522 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -98.45 -148.02 22.96 Favored Glycine 0 N--CA 1.427 -1.916 0 N-CA-C 109.198 -1.561 . . . . 0.0 109.198 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 37.9 t -73.09 134.76 80.46 Favored Pre-proline 0 C--N 1.297 -1.676 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.95 118.02 5.23 Favored 'Trans proline' 0 C--O 1.242 0.696 0 C-N-CA 122.685 2.257 . . . . 0.0 111.444 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 81.8 m -76.74 136.99 66.69 Favored Pre-proline 0 C--N 1.307 -1.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.511 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.68 1.09 5.39 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.093 2.529 . . . . 0.0 112.918 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 7.3 p -70.2 -22.24 62.95 Favored 'General case' 0 N--CA 1.433 -1.289 0 C-N-CA 122.917 0.487 . . . . 0.0 110.492 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 72.88 -44.31 0.59 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.277 1.431 . . . . 0.0 113.594 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 9.7 m -79.13 102.57 8.53 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 175.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 79.47 48.71 6.6 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 119.943 -1.122 . . . . 0.0 110.354 -175.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.15 87.09 2.42 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -175.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 38.1 t 174.59 134.15 0.04 OUTLIER 'General case' 0 CA--C 1.494 -1.197 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.462 175.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.699 ' HB3' HG23 ' A' 1574 ' ' VAL . 66.0 m-85 -69.06 137.54 53.65 Favored 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 107.235 -1.395 . . . . 0.0 107.235 167.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1607 ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' 1592 ' ' TYR . 16.1 ptpt -149.36 134.75 18.39 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.493 0.663 . . . . 0.0 111.403 -177.014 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 20.3 m -108.98 126.38 53.05 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.136 -178.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 63.1 t -112.89 113.85 45.28 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1610 ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' 1638 ' ' PHE . 53.7 mt -107.69 123.64 63.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 178.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 19.8 m -116.47 115.61 26.13 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-O 121.211 0.529 . . . . 0.0 110.37 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1612 ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -85.77 113.87 22.28 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 65.7 t -104.44 140.18 23.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 28.7 t -63.88 126.47 27.75 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.736 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -150.16 102.54 3.16 Favored Pre-proline 0 N--CA 1.424 -1.754 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 171.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1616 ' ' PRO . . . . . 0.403 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 65.3 Cg_exo -54.47 -21.88 25.53 Favored 'Trans proline' 0 N--CA 1.486 1.057 0 C-N-CA 124.046 3.164 . . . . 0.0 114.533 -176.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -101.6 2.71 39.2 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 122.14 -0.35 . . . . 0.0 111.551 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . 60.52 -160.2 0.3 Allowed 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.887 0.875 . . . . 0.0 110.134 -176.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -104.6 175.67 22.68 Favored Glycine 0 N--CA 1.43 -1.719 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -70.19 -34.83 12.44 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 CA-C-N 119.662 1.731 . . . . 0.0 111.444 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 3.2 p -110.89 -23.35 11.04 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 5.9 m-20 60.24 76.1 0.38 Allowed 'General case' 0 CA--C 1.511 -0.536 0 C-N-CA 124.106 0.962 . . . . 0.0 110.734 -175.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -151.34 158.68 34.34 Favored Pre-proline 0 C--N 1.302 -1.499 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.641 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.41 ' HD3' ' CZ3' ' A' 1640 ' ' TRP . 80.6 Cg_endo -80.47 141.23 13.94 Favored 'Trans proline' 0 N--CA 1.445 -1.339 0 C-N-CA 121.972 1.781 . . . . 0.0 110.281 174.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1625 ' ' MET . . . . . 0.47 ' O ' ' HA ' ' A' 1638 ' ' PHE . 20.3 ptp -116.62 148.48 40.91 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1626 ' ' LEU . . . . . 0.458 ' HB2' ' CZ ' ' A' 1542 ' ' TYR . 1.7 tt -94.34 108.4 20.31 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 107.551 -1.278 . . . . 0.0 107.551 -175.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.3 mm -86.94 -48.17 15.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.912 -175.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 23.0 t -141.03 145.0 35.31 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.431 HD22 ' HG ' ' A' 1636 ' ' LEU . 0.4 OUTLIER -119.35 105.71 11.57 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -177.854 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -101.92 113.13 26.07 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.897 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -84.56 -2.63 57.67 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.368 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -84.68 -53.25 5.5 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.215 0.531 . . . . 0.0 109.752 -175.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 23.6 p -105.69 12.07 31.46 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.893 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 65.5 m 53.01 41.33 32.16 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.645 177.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 30.1 m -106.25 120.46 41.9 Favored 'General case' 0 N--CA 1.424 -1.774 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.434 -176.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.431 ' HG ' HD22 ' A' 1629 ' ' LEU . 5.6 mp -103.09 127.82 50.21 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 176.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -99.37 116.78 32.33 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.876 -177.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1638 ' ' PHE . . . . . 0.47 ' HA ' ' O ' ' A' 1625 ' ' MET . 91.8 m-85 -118.56 137.28 53.34 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 54.9 p -123.97 139.48 53.92 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1640 ' ' TRP . . . . . 0.41 ' CZ3' ' HD3' ' A' 1624 ' ' PRO . 2.0 t90 -124.21 132.05 53.58 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 177.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 61.5 m80 -99.15 107.86 20.32 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.8 t -140.15 145.14 40.54 Favored Pre-proline 0 C--N 1.306 -1.321 0 CA-C-O 121.264 0.554 . . . . 0.0 110.789 -175.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.677 ' HA ' ' SG ' ' A' 1646 ' ' CYS . 74.8 Cg_endo -77.33 -4.92 15.23 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.169 2.579 . . . . 0.0 110.977 175.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 92.5 mt -82.78 -3.32 56.46 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.391 0.615 . . . . 0.0 110.276 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -109.04 14.34 24.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.922 0.868 . . . . 0.0 108.836 175.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1646 ' ' CYS . . . . . 0.677 ' SG ' ' HA ' ' A' 1643 ' ' PRO . 70.9 m -98.27 149.39 22.65 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.37 -178.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -70.54 75.79 0.57 Allowed 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 124.588 1.155 . . . . 0.0 110.05 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 58.7 tp -130.42 125.58 34.86 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.584 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.66 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 176.67 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 53.6 tpp . . . . . 0 C--O 1.238 0.499 0 CA-C-O 120.752 0.31 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 21.4 pttp -127.55 46.56 2.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -175.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 15.4 m 61.25 29.06 18.5 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 174.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 7.3 t30 -79.54 -38.86 33.25 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1512 ' ' GLU . . . . . 0.486 ' OE1' ' HD2' ' A' 1535 ' ' ARG . 32.2 mm-40 -91.21 156.32 17.93 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 114.262 -1.335 . . . . 0.0 109.679 -178.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 80.1 m80 -119.34 88.78 3.0 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -136.59 111.62 8.94 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 122.086 0.946 . . . . 0.0 109.795 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -70.86 -64.95 0.8 Allowed 'General case' 0 CA--C 1.488 -1.415 0 CA-C-N 114.282 -1.326 . . . . 0.0 108.506 175.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1516 ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' 1529 ' ' LEU . 5.7 t 56.63 40.47 29.31 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-O 122.631 1.205 . . . . 0.0 108.971 176.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' 1527 ' ' PHE . 12.8 pt20 -158.49 162.0 37.44 Favored 'General case' 0 N--CA 1.423 -1.794 0 CA-C-N 114.006 -1.452 . . . . 0.0 107.638 -175.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 14.8 p -159.67 140.49 4.06 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 5.8 m -106.16 133.39 50.94 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 120.656 0.265 . . . . 0.0 110.454 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 15.3 m120 -92.39 110.76 46.88 Favored Pre-proline 0 C--N 1.311 -1.066 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.18 -15.25 45.79 Favored 'Trans proline' 0 C--O 1.241 0.673 0 C-N-CA 122.672 2.248 . . . . 0.0 113.967 -174.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 7.6 p -79.8 -64.41 1.19 Allowed 'General case' 0 N--CA 1.433 -1.276 0 C-N-CA 123.105 0.562 . . . . 0.0 111.619 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 29.0 p -82.61 -16.71 47.4 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.078 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 79.44 11.96 84.3 Favored Glycine 0 N--CA 1.439 -1.145 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 32.6 m170 -89.44 143.91 26.46 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.481 -0.36 . . . . 0.0 110.036 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.8 tt -120.83 129.05 53.39 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' 1517 ' ' GLN . 70.3 m-85 -95.47 122.86 38.64 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 120.631 0.253 . . . . 0.0 110.425 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -112.09 122.38 47.59 Favored 'General case' 0 CA--C 1.484 -1.582 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.16 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1529 ' ' LEU . . . . . 0.471 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 97.6 mt -111.04 20.69 17.21 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 172.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 3.0 p -60.35 -36.19 77.42 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 123.979 0.912 . . . . 0.0 113.022 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 19.4 m -71.56 -16.83 62.32 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.374 0.606 . . . . 0.0 110.82 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 78.1 mt -102.18 -18.08 15.69 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.145 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 43.7 t -64.83 143.88 57.64 Favored 'General case' 0 C--O 1.255 1.386 0 CA-C-O 121.127 0.489 . . . . 0.0 110.515 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . 172.88 147.94 6.07 Favored Glycine 0 N--CA 1.423 -2.185 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1535 ' ' ARG . . . . . 0.521 ' O ' ' HA ' ' A' 1556 ' ' ASN . 72.4 mtp180 -82.04 -30.19 31.57 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 120.939 0.4 . . . . 0.0 110.762 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -75.8 -30.34 59.02 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1537 ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 56.84 -108.8 1.35 Allowed Glycine 0 CA--C 1.493 -1.332 0 CA-C-N 114.079 -1.419 . . . . 0.0 113.73 173.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 52.2 t80 -160.39 157.97 28.73 Favored 'General case' 0 N--CA 1.428 -1.552 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 62.9 m -130.81 115.37 16.52 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.019 0.438 . . . . 0.0 109.917 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -117.22 128.43 55.08 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.351 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -90.88 125.9 35.88 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.164 0.507 . . . . 0.0 111.222 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -126.18 171.49 10.84 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.24 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -63.62 139.51 58.78 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 175.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 11.7 mptt 72.99 -38.86 0.43 Allowed 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 125.327 1.451 . . . . 0.0 112.247 -177.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -117.06 82.19 0.32 Allowed Glycine 0 N--CA 1.431 -1.697 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -77.53 54.6 1.19 Allowed 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.426 0.631 . . . . 0.0 111.435 -176.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . 146.56 90.79 0.1 OUTLIER Glycine 0 N--CA 1.416 -2.697 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 51.5 t -94.76 107.66 19.73 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.165 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -88.99 104.0 16.57 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1550 ' ' MET . . . . . 0.43 ' O ' ' HA3' ' A' 1537 ' ' GLY . 22.3 ptm -116.72 127.87 54.79 Favored 'General case' 0 C--N 1.282 -2.34 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.914 -173.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1551 ' ' SER . . . . . 0.494 ' OG ' ' HA ' ' A' 1535 ' ' ARG . 42.3 t -96.32 142.81 28.01 Favored 'General case' 0 N--CA 1.417 -2.087 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 174.002 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 64.9 mt -102.37 107.39 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.341 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 60.1 m 72.94 16.85 4.35 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.084 1.354 . . . . 0.0 113.631 177.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . -154.6 -163.32 11.88 Favored Glycine 0 CA--C 1.497 -1.049 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -178.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1555 ' ' GLU . . . . . 0.614 ' OE1' ' HA ' ' A' 1561 ' ' PRO . 9.3 pt-20 -106.92 134.13 50.53 Favored 'General case' 0 C--O 1.249 1.033 0 CA-C-O 121.172 0.511 . . . . 0.0 111.074 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' 1535 ' ' ARG . 26.1 t-20 -72.2 136.63 46.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.055 -174.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -67.91 -16.24 63.98 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.137 0.975 . . . . 0.0 113.371 -175.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 16.2 m120 -107.93 23.64 14.17 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 83.9 m -134.14 152.71 78.82 Favored Pre-proline 0 C--N 1.3 -1.58 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.756 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.01 149.01 21.98 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 123.472 2.781 . . . . 0.0 111.647 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1561 ' ' PRO . . . . . 0.614 ' HA ' ' OE1' ' A' 1555 ' ' GLU . 16.5 Cg_endo -56.4 110.17 0.54 Allowed 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.437 2.758 . . . . 0.0 112.599 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 112.88 -8.59 25.55 Favored Glycine 0 N--CA 1.436 -1.334 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.943 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 89.8 t -88.64 124.72 41.7 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 117.206 0.503 . . . . 0.0 110.376 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -84.75 -31.91 22.86 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.803 -175.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -151.89 142.67 22.89 Favored 'General case' 0 C--N 1.31 -1.123 0 O-C-N 122.508 -0.407 . . . . 0.0 111.06 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1566 ' ' CYS . . . . . 0.411 ' HB3' ' HA ' ' A' 1571 ' ' ARG . 74.2 m -122.16 135.84 54.83 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.228 178.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 84.5 t80 -98.71 114.66 27.27 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.744 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 86.03 173.56 49.36 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.712 -0.676 . . . . 0.0 113.181 174.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -71.52 -16.86 62.35 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 4.6 m -67.89 -21.15 65.16 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.152 177.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1571 ' ' ARG . . . . . 0.411 ' HA ' ' HB3' ' A' 1566 ' ' CYS . 98.1 mtt180 66.67 34.16 5.95 Favored 'General case' 0 CA--C 1.501 -0.919 0 C-N-CA 125.165 1.386 . . . . 0.0 113.036 176.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.18 118.13 8.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.953 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 12.1 p -61.98 111.01 1.74 Allowed 'General case' 0 N--CA 1.432 -1.335 0 CA-C-O 121.451 0.644 . . . . 0.0 111.785 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.589 HG23 ' HB3' ' A' 1606 ' ' TYR . 11.6 p -101.35 20.39 2.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-O 122.291 1.043 . . . . 0.0 109.607 -178.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1575 ' ' GLY . . . . . 0.401 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 152.91 149.53 5.17 Favored Glycine 0 N--CA 1.429 -1.816 0 C-N-CA 120.054 -1.07 . . . . 0.0 114.12 175.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 48.6 tptt -77.71 150.76 34.42 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -70.83 112.63 7.17 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 122.938 0.495 . . . . 0.0 110.807 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -121.06 156.52 32.04 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.108 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 22.5 pttp -133.7 7.54 3.81 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 121.29 0.566 . . . . 0.0 109.696 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -80.64 93.19 6.09 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.734 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' 1588 ' ' LEU . 46.8 tp -84.41 125.04 31.97 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.797 -178.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -107.86 141.78 38.93 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.896 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 40.6 p90 -107.42 104.41 13.98 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 174.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 15.6 m -127.49 106.18 14.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 121.918 -0.489 . . . . 0.0 112.141 -176.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 37.5 t70 58.27 52.15 7.69 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 122.397 1.094 . . . . 0.0 111.12 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 15.3 mp0 67.75 5.87 4.71 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 176.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 7.2 p -116.94 128.98 74.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.515 ' HB3' HD11 ' A' 1581 ' ' LEU . 90.0 mt -82.88 132.14 35.17 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -129.4 131.43 46.8 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 119.846 -0.742 . . . . 0.0 112.202 -174.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 68.7 mt -116.1 124.9 51.54 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 173.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.1 p -120.05 115.92 48.81 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 CA-C-O 122.047 0.927 . . . . 0.0 111.263 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1592 ' ' TYR . . . . . 0.401 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 33.7 m-85 -99.69 102.1 13.48 Favored 'General case' 0 N--CA 1.418 -2.046 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 176.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1593 ' ' LYS . . . . . 0.423 ' HG3' ' OD2' ' A' 1594 ' ' ASP . 21.0 pttp -117.13 -172.17 2.17 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 176.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1594 ' ' ASP . . . . . 0.423 ' OD2' ' HG3' ' A' 1593 ' ' LYS . 15.4 m-20 66.85 59.62 0.56 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 122.14 0.971 . . . . 0.0 109.64 -178.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -126.77 -142.45 5.63 Favored Glycine 0 N--CA 1.427 -1.91 0 CA-C-N 114.62 -1.173 . . . . 0.0 110.297 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1596 ' ' SER . . . . . 0.547 ' O ' ' HA ' ' A' 1605 ' ' SER . 23.0 t -60.2 126.33 83.75 Favored Pre-proline 0 C--N 1.31 -1.123 0 C-N-CA 123.291 0.636 . . . . 0.0 109.828 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -72.48 163.19 39.3 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 122.869 2.379 . . . . 0.0 112.496 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1598 ' ' CYS . . . . . 0.445 ' H ' ' HB2' ' A' 1604 ' ' LEU . 59.0 m -134.61 144.35 50.44 Favored Pre-proline 0 C--N 1.303 -1.442 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -177.309 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.34 3.38 3.6 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.422 2.748 . . . . 0.0 113.153 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 9.2 p -66.9 -26.92 67.1 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 123.667 0.787 . . . . 0.0 110.707 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 69.3 -69.6 0.16 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.249 1.42 . . . . 0.0 111.861 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 20.7 p -86.82 92.7 9.07 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1603 ' ' GLY . . . . . 0.505 ' O ' ' HA ' ' A' 1633 ' ' THR . . . 105.67 48.74 1.01 Allowed Glycine 0 N--CA 1.425 -2.033 0 N-CA-C 109.659 -1.376 . . . . 0.0 109.659 -174.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1604 ' ' LEU . . . . . 0.445 ' HB2' ' H ' ' A' 1598 ' ' CYS . 1.6 pp -99.72 177.01 5.26 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 122.676 -0.308 . . . . 0.0 111.141 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1605 ' ' SER . . . . . 0.547 ' HA ' ' O ' ' A' 1596 ' ' SER . 45.4 t 80.52 124.86 0.04 OUTLIER 'General case' 0 CA--C 1.495 -1.168 0 C-N-CA 124.856 1.262 . . . . 0.0 111.82 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.589 ' HB3' HG23 ' A' 1574 ' ' VAL . 53.5 m-85 -62.93 130.98 47.14 Favored 'General case' 0 N--CA 1.421 -1.896 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.865 171.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -131.48 139.06 49.25 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.96 -176.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 23.1 t -115.24 113.94 24.56 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 48.1 t -107.09 102.9 14.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 60.2 mt -97.67 121.15 47.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 19.2 m -115.19 119.32 35.97 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.107 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.4 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 89.5 m-85 -94.65 99.9 11.94 Favored 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 39.9 t -84.75 132.64 31.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 CA-C-N 115.423 -0.808 . . . . 0.0 108.876 -176.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 44.7 t -61.41 121.97 13.98 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 114.262 -1.336 . . . . 0.0 110.62 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -135.87 86.62 26.65 Favored Pre-proline 0 C--N 1.308 -1.237 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -61.65 -21.42 72.03 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.398 2.732 . . . . 0.0 113.681 -174.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -92.17 2.7 56.43 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.661 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . 64.83 -169.64 0.2 Allowed 'General case' 0 C--O 1.242 0.681 0 C-N-CA 123.888 0.875 . . . . 0.0 110.766 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -146.34 138.33 7.38 Favored Glycine 0 N--CA 1.428 -1.897 0 C-N-CA 120.334 -0.936 . . . . 0.0 111.02 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -65.33 -24.79 57.31 Favored 'Trans proline' 0 C--O 1.24 0.577 0 C-N-CA 122.965 2.443 . . . . 0.0 112.968 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 4.5 m -99.24 -39.65 8.34 Favored 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 46.9 t-20 47.13 80.34 0.05 Allowed 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.177 0.991 . . . . 0.0 109.844 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -146.48 157.31 48.69 Favored Pre-proline 0 C--N 1.318 -0.8 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.102 -169.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -80.66 146.98 17.17 Favored 'Trans proline' 0 N--CA 1.449 -1.144 0 C-N-CA 122.241 1.961 . . . . 0.0 109.238 169.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 23.4 ptp -138.65 146.9 42.23 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.9 tt -88.32 118.69 28.11 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.2 mm -100.1 -48.97 11.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.592 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 28.7 t -136.43 141.94 43.62 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.44 HD11 ' HE2' ' A' 1631 ' ' LYS . 2.0 tm? -128.81 122.0 29.52 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.734 -177.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -117.99 107.46 14.07 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1631 ' ' LYS . . . . . 0.44 ' HE2' HD11 ' A' 1629 ' ' LEU . 72.9 mmtt -66.52 -32.93 74.58 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.093 0.557 . . . . 0.0 110.976 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -68.31 -55.6 11.54 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.1 -0.955 . . . . 0.0 112.196 -173.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1633 ' ' THR . . . . . 0.505 ' HA ' ' O ' ' A' 1603 ' ' GLY . 27.5 p -90.93 3.68 53.95 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 121.009 0.433 . . . . 0.0 111.193 -178.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.487 ' O ' ' HA ' ' A' 1606 ' ' TYR . 62.1 m 57.71 32.71 22.27 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.069 0.948 . . . . 0.0 111.193 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 26.7 m -105.64 128.8 53.85 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.795 -175.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.422 ' HG ' HD23 ' A' 1629 ' ' LEU . 5.6 mp -111.71 131.11 55.53 Favored 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 177.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -105.96 116.26 31.64 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.29 -178.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -113.64 140.67 48.02 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.969 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 23.5 t -121.34 134.64 55.14 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -122.13 130.81 53.57 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 176.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -106.67 108.0 19.29 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 7.5 t -138.85 146.9 52.05 Favored Pre-proline 0 C--N 1.317 -0.833 0 CA-C-O 121.037 0.446 . . . . 0.0 110.395 -174.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -74.59 -12.29 22.41 Favored 'Trans proline' 0 C--N 1.362 1.263 0 C-N-CA 123.155 2.57 . . . . 0.0 111.489 176.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 97.4 mt -76.69 -9.46 58.69 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.446 0.641 . . . . 0.0 110.494 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.52 12.9 29.87 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.939 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 53.4 m -121.2 135.24 55.18 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -81.66 97.02 7.7 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 173.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 91.8 mt -93.85 133.27 37.43 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.475 -173.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.693 0 CA-C-O 118.585 -0.721 . . . . 0.0 109.486 179.323 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 CA--C 1.498 -1.034 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 65.3 tttp -80.08 88.28 5.41 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.76 0.79 . . . . 0.0 110.81 -178.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 44.8 m -149.51 52.95 0.94 Allowed 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -85.11 -1.62 57.08 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.635 -176.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -78.54 66.04 3.97 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.607 0.718 . . . . 0.0 110.941 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 34.2 m80 -100.33 108.6 20.68 Favored 'General case' 0 CA--C 1.485 -1.536 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.805 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1514 ' ' ASP . . . . . 0.571 ' HB3' ' HA ' ' A' 1580 ' ' ARG . 4.2 m-20 62.4 86.19 0.12 Allowed 'General case' 0 C--N 1.319 -0.737 0 O-C-N 124.447 1.092 . . . . 0.0 112.026 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -110.17 53.51 0.69 Allowed 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1516 ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' 1528 ' ' ASP . 98.6 m 58.83 46.55 13.83 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.156 -177.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.709 ' HA ' ' O ' ' A' 1527 ' ' PHE . 25.8 pt20 -139.52 128.26 23.28 Favored 'General case' 0 N--CA 1.417 -2.116 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.718 174.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 58.2 t -131.36 121.08 47.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1519 ' ' THR . . . . . 0.46 ' O ' ' HD3' ' A' 1521 ' ' PRO . 18.5 m -94.02 116.24 28.65 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 175.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -93.82 105.47 16.96 Favored Pre-proline 0 C--N 1.302 -1.484 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 175.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1521 ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' 1519 ' ' THR . 33.5 Cg_exo -61.73 -24.74 77.96 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.287 2.658 . . . . 0.0 113.891 -176.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.6 m -70.55 -28.23 64.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.971 0.415 . . . . 0.0 111.193 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1523 ' ' THR . . . . . 0.494 ' HB ' ' HB2' ' A' 1649 ' ' ALA . 7.6 p -113.85 -26.62 8.09 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 81.9 15.9 73.97 Favored Glycine 0 CA--C 1.502 -0.755 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 24.3 t60 -96.7 118.92 34.2 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 114.946 -0.627 . . . . 0.0 109.627 -176.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1526 ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' 1517 ' ' GLN . 61.0 tp -86.64 110.26 19.73 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.094 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.709 ' O ' ' HA ' ' A' 1517 ' ' GLN . 98.0 m-85 -78.66 119.57 22.09 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 178.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1528 ' ' ASP . . . . . 0.438 ' HA ' ' O ' ' A' 1516 ' ' CYS . 1.1 p-10 -131.78 149.51 52.45 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 173.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.1 mt -117.42 28.16 8.64 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-O 120.913 0.387 . . . . 0.0 110.463 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 2.5 m -65.2 -33.56 76.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -175.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 27.4 t -70.09 -17.64 63.23 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.458 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 86.5 mt -112.18 7.57 19.57 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.571 0.701 . . . . 0.0 109.399 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 23.0 t -96.37 119.27 34.55 Favored 'General case' 0 N--CA 1.425 -1.713 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -130.93 139.99 11.4 Favored Glycine 0 C--N 1.297 -1.602 0 N-CA-C 110.504 -1.039 . . . . 0.0 110.504 -178.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -71.46 -29.08 64.44 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -176.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1536 ' ' ALA . . . . . 0.438 ' HA ' ' HG2' ' A' 1557 ' ' GLU . . . -87.99 -33.73 18.3 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.505 0.669 . . . . 0.0 110.169 177.142 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 85.74 -164.78 37.85 Favored Glycine 0 N--CA 1.432 -1.584 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.872 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -121.05 129.8 53.5 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 37.8 m -96.42 109.71 22.21 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 173.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -98.16 106.62 18.94 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.074 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1541 ' ' ALA . . . . . 0.492 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -88.59 104.31 16.72 Favored 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -84.72 114.54 22.12 Favored 'General case' 0 C--N 1.286 -2.155 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.957 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . 57.81 25.19 11.66 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.779 1.232 . . . . 0.0 110.896 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 59.15 15.52 4.2 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.823 1.249 . . . . 0.0 112.105 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -96.43 -58.88 1.05 Allowed Glycine 0 N--CA 1.43 -1.71 0 N-CA-C 111.424 -0.671 . . . . 0.0 111.424 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 25.8 p90 -117.26 116.19 26.75 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-O 121.534 0.683 . . . . 0.0 111.211 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1547 ' ' GLY . . . . . 0.492 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . -96.71 105.77 3.26 Favored Glycine 0 N--CA 1.433 -1.532 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.212 178.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 58.6 t -86.47 117.07 30.26 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1549 ' ' TYR . . . . . 0.449 ' CE2' ' HA ' ' A' 1569 ' ' GLN . 89.9 m-85 -81.98 110.61 17.39 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 105.529 -2.026 . . . . 0.0 105.529 173.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 19.2 ptm -136.33 133.64 37.08 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 118.946 -1.102 . . . . 0.0 112.433 -177.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1551 ' ' SER . . . . . 0.554 ' HB2' ' HB3' ' A' 1556 ' ' ASN . 41.7 t -108.1 148.79 29.34 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 176.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 1.9 mp -99.14 116.32 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.141 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 83.9 m 73.73 55.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.318 1.011 . . . . 0.0 112.83 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 149.36 -162.15 28.95 Favored Glycine 0 N--CA 1.429 -1.793 0 C-N-CA 120.008 -1.092 . . . . 0.0 111.992 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.85 147.04 25.94 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.554 ' HB3' ' HB2' ' A' 1551 ' ' SER . 8.1 p30 -100.01 132.74 45.18 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1557 ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' 1536 ' ' ALA . 11.4 pt-20 -74.51 4.57 5.83 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -97.96 11.33 37.83 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 175.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 55.9 m -140.98 170.72 8.82 Favored Pre-proline 0 N--CA 1.442 -0.85 0 C-N-CA 126.615 1.966 . . . . 0.0 107.323 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -63.06 124.03 13.25 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.844 1.696 . . . . 0.0 110.169 175.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.26 114.08 1.49 Allowed 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 122.921 2.414 . . . . 0.0 110.93 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 136.45 -31.26 2.61 Favored Glycine 0 N--CA 1.432 -1.625 0 N-CA-C 108.858 -1.697 . . . . 0.0 108.858 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 58.5 t -88.65 131.64 35.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -86.1 -41.53 7.04 Favored Glycine 0 C--O 1.245 0.822 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.229 -176.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -143.74 147.24 33.91 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 63.8 m -129.16 135.23 48.58 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.576 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 67.2 t80 -89.22 114.41 25.74 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 89.76 163.75 39.49 Favored Glycine 0 N--CA 1.428 -1.849 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.782 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1569 ' ' GLN . . . . . 0.449 ' HA ' ' CE2' ' A' 1549 ' ' TYR . 28.8 mm-40 -79.82 3.23 20.26 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.105 0.479 . . . . 0.0 110.758 -178.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 4.2 m -87.04 -2.71 58.83 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.774 177.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 65.52 36.16 6.79 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.503 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 87.9 mt -72.6 115.04 12.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 16.5 p -63.08 124.24 20.63 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -175.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.419 HG23 ' HB3' ' A' 1606 ' ' TYR . 13.3 p -118.1 33.23 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-O 123.469 1.604 . . . . 0.0 108.255 176.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 136.78 142.68 4.47 Favored Glycine 0 N--CA 1.428 -1.896 0 CA-C-N 113.739 -1.573 . . . . 0.0 112.989 175.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.418 ' O ' ' HD1' ' A' 1592 ' ' TYR . 73.3 mmtt -80.88 158.4 25.34 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 175.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -61.49 96.11 0.06 Allowed 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 123.705 0.802 . . . . 0.0 111.236 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -119.0 135.5 54.59 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 177.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.15 29.92 6.26 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.188 0.518 . . . . 0.0 109.912 -175.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1580 ' ' ARG . . . . . 0.571 ' HA ' ' HB3' ' A' 1514 ' ' ASP . 47.9 mtt180 -83.01 91.56 7.19 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.872 -177.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' 1588 ' ' LEU . 12.6 mt -75.91 127.54 33.2 Favored 'General case' 0 CA--C 1.498 -1.047 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.004 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -119.52 121.61 39.78 Favored 'General case' 0 C--N 1.285 -2.221 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 173.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 42.8 t80 -95.41 99.34 11.26 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 15.6 m -127.0 123.93 63.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.484 -175.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.7 t70 52.9 52.9 12.98 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 124.373 1.069 . . . . 0.0 112.48 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 38.8 tt0 63.35 23.85 13.95 Favored 'General case' 0 CA--C 1.561 1.37 0 CA-C-N 114.094 -1.412 . . . . 0.0 112.429 173.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1587 ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' 1612 ' ' PHE . 2.6 p -140.33 135.65 36.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 O-C-N 121.916 -0.49 . . . . 0.0 110.621 176.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.583 ' HB3' HD22 ' A' 1581 ' ' LEU . 64.3 mt -86.74 124.31 32.86 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.291 178.15 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -108.43 125.68 52.04 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.021 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 15.7 mt -114.31 132.08 56.3 Favored 'General case' 0 CA--C 1.496 -1.121 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 171.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.5 p -130.34 121.52 51.35 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 CA-C-O 121.463 0.649 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1592 ' ' TYR . . . . . 0.418 ' HD1' ' O ' ' A' 1576 ' ' LYS . 94.4 m-85 -93.42 104.67 16.8 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 177.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 67.1 mttm -93.07 158.01 16.0 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.038 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 34.3 t70 68.69 88.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 125.24 1.416 . . . . 0.0 111.489 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1595 ' ' GLY . . . . . 0.47 ' HA3' ' O ' ' A' 1606 ' ' TYR . . . -120.37 -162.33 11.77 Favored Glycine 0 N--CA 1.423 -2.218 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 178.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 34.4 p -76.1 140.4 69.83 Favored Pre-proline 0 C--N 1.293 -1.876 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.81 138.14 67.13 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 123.295 2.664 . . . . 0.0 111.908 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 75.8 m -83.18 121.79 77.2 Favored Pre-proline 0 C--N 1.301 -1.542 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.959 -177.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -76.66 -18.1 15.54 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.034 1.823 . . . . 0.0 108.956 170.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 3.9 m -70.24 -51.51 30.15 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 114.58 -1.191 . . . . 0.0 108.845 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -126.09 96.14 4.63 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 18.6 m -61.33 117.28 5.44 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.095 -178.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 118.85 -18.66 10.54 Favored Glycine 0 N--CA 1.431 -1.634 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.649 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 98.4 mt -107.56 166.89 10.34 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 122.459 -0.436 . . . . 0.0 110.205 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 18.4 m -136.75 144.04 43.59 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.47 ' O ' ' HA3' ' A' 1595 ' ' GLY . 93.3 m-85 -67.58 123.73 21.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.562 0.539 . . . . 0.0 110.945 -178.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -133.08 161.97 32.97 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 11.2 p -128.06 137.03 52.0 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 75.6 t -122.36 119.72 59.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 53.2 mt -103.49 122.99 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 34.1 t -103.91 105.38 15.55 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 124.688 1.195 . . . . 0.0 109.611 -177.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.535 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 86.8 m-85 -94.5 103.07 15.04 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 37.0 t -91.24 135.98 25.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.772 -173.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1614 ' ' CYS . . . . . 0.611 ' O ' ' HD2' ' A' 1615 ' ' ARG . 1.5 t -60.47 94.4 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.496 1.119 . . . . 0.0 111.676 176.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1615 ' ' ARG . . . . . 0.611 ' HD2' ' O ' ' A' 1614 ' ' CYS . 16.8 mmm180 -133.21 102.12 13.22 Favored Pre-proline 0 C--N 1.306 -1.293 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 176.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1616 ' ' PRO . . . . . 0.439 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 63.9 Cg_exo -55.73 -28.68 67.76 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 123.181 2.587 . . . . 0.0 112.951 177.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -73.74 -16.09 61.19 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.823 -0.172 . . . . 0.0 111.152 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . 64.84 -166.07 0.23 Allowed 'General case' 0 C--O 1.245 0.833 0 C-N-CA 124.038 0.935 . . . . 0.0 109.094 -175.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -133.18 85.05 0.28 Allowed Glycine 0 C--O 1.191 -2.535 0 N-CA-C 108.128 -1.989 . . . . 0.0 108.128 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -5.84 -62.51 0.0 OUTLIER 'Trans proline' 0 C--N 1.38 2.212 1 C-N-CA 127.978 5.786 . . . . 0.0 118.61 -165.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1621 ' ' THR . . . . . 0.452 ' O ' ' HG3' ' A' 1623 ' ' ARG . 5.8 p -65.12 -30.01 70.91 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 123.013 0.525 . . . . 0.0 111.738 -178.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 87.4 m-20 48.15 64.2 1.75 Allowed 'General case' 0 C--O 1.251 1.157 0 C-N-CA 124.625 1.17 . . . . 0.0 110.462 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1623 ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' 1621 ' ' THR . 42.4 mtp180 -141.72 150.71 57.9 Favored Pre-proline 0 C--N 1.31 -1.127 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -65.38 122.4 10.08 Favored 'Trans proline' 0 C--O 1.243 0.749 0 C-N-CA 122.705 2.27 . . . . 0.0 112.724 -176.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 21.7 ptp -108.78 143.36 38.03 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.6 tt -88.78 119.02 28.89 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.7 mm -98.92 -50.51 10.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 C-N-CA 121.044 -0.262 . . . . 0.0 111.2 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 12.9 m -137.04 126.78 25.5 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.279 -175.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.73 111.05 23.57 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 30.1 t70 -118.57 102.26 8.75 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.901 -0.72 . . . . 0.0 111.684 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 99.1 mttt -84.74 1.07 48.29 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.259 176.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -75.69 -45.3 37.68 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.301 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 60.2 p -105.74 -1.17 24.74 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.502 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.458 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 99.9 m 64.01 55.78 1.51 Allowed 'General case' 0 C--O 1.238 0.488 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.308 -176.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 22.1 m -132.58 125.37 30.31 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.883 -175.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -106.07 122.02 45.32 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -97.18 113.07 24.61 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.622 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -109.19 148.14 31.4 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 28.2 t -134.64 156.36 48.87 Favored 'General case' 0 N--CA 1.42 -1.967 0 CA-C-N 118.734 0.697 . . . . 0.0 110.744 -178.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -140.14 137.66 34.62 Favored 'General case' 0 N--CA 1.423 -1.795 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -103.91 105.78 16.08 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.4 t -140.72 146.52 44.76 Favored Pre-proline 0 C--N 1.314 -0.951 0 CA-C-O 121.262 0.553 . . . . 0.0 111.778 -175.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.439 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 60.4 Cg_endo -75.79 -10.47 19.97 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 123.192 2.594 . . . . 0.0 110.973 173.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 98.0 mt -80.53 -3.86 51.74 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.948 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -113.22 27.11 9.87 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 121.441 0.639 . . . . 0.0 109.889 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 8.6 t -132.2 137.82 47.74 Favored 'General case' 0 N--CA 1.428 -1.535 0 C-N-CA 119.702 -0.799 . . . . 0.0 111.03 -177.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.92 87.6 2.31 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 122.438 1.113 . . . . 0.0 111.128 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 71.5 mt -119.16 128.22 54.05 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1649 ' ' ALA . . . . . 0.494 ' HB2' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--N 1.295 -1.769 0 CA-C-O 118.585 -0.721 . . . . 0.0 110.862 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 97.4 mmm . . . . . 0 CA--C 1.513 -0.477 0 CA-C-O 120.965 0.412 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 22.1 pttp -89.86 46.82 1.39 Allowed 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.632 0.73 . . . . 0.0 110.376 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 14.0 p -81.24 52.99 1.93 Allowed 'General case' 0 N--CA 1.437 -1.08 0 CA-C-O 122.341 1.067 . . . . 0.0 111.201 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 17.4 m120 -94.64 14.48 20.93 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.74 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -67.11 139.3 57.52 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 177.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -147.51 66.08 1.13 Allowed 'General case' 0 C--N 1.291 -1.936 0 CA-C-O 121.136 0.494 . . . . 0.0 111.061 -175.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -139.24 -45.25 0.46 Allowed 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 119.18 -1.008 . . . . 0.0 112.807 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 31.5 t70 -107.98 47.74 0.88 Allowed 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 121.933 0.873 . . . . 0.0 111.535 -176.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 96.5 m 64.39 61.8 0.85 Allowed 'General case' 0 C--O 1.247 0.929 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 175.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -141.19 134.45 29.53 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 174.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 98.6 t -138.26 131.61 41.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 43.1 m -104.05 126.82 51.47 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 175.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 31.7 t30 -96.18 106.39 28.35 Favored Pre-proline 0 C--N 1.312 -1.046 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.24 -27.64 81.39 Favored 'Trans proline' 0 N--CA 1.48 0.694 0 C-N-CA 123.781 2.988 . . . . 0.0 114.353 -175.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 15.9 m -57.17 -53.14 61.41 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 120.84 0.352 . . . . 0.0 111.55 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 5.3 p -103.13 -18.33 14.99 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 121.118 0.485 . . . . 0.0 112.185 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 85.52 14.88 67.26 Favored Glycine 0 N--CA 1.44 -1.039 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -86.71 134.84 33.56 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.98 0.419 . . . . 0.0 110.148 -177.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.5 tt -99.63 129.99 45.82 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.465 ' HB3' HD11 ' A' 1588 ' ' LEU . 82.7 m-85 -101.76 125.78 48.49 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -120.79 124.96 46.35 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 123.49 0.494 . . . . 0.0 109.674 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 91.4 mt -115.56 4.59 14.22 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.187 0.518 . . . . 0.0 110.312 173.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 22.3 t -72.95 -28.28 62.33 Favored 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -177.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 18.8 m -69.55 -4.92 21.07 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.784 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 94.5 mt -111.52 12.01 21.34 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1533 ' ' SER . . . . . 0.63 ' HA ' ' O ' ' A' 1552 ' ' ILE . 25.9 t -74.88 160.26 30.86 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.067 0.46 . . . . 0.0 110.367 -179.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -175.88 136.56 3.36 Favored Glycine 0 N--CA 1.421 -2.338 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -73.75 -33.47 64.31 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 117.17 0.485 . . . . 0.0 111.083 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -89.74 -24.25 21.58 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 60.32 -113.86 5.88 Favored Glycine 0 CA--C 1.499 -0.967 0 CA-C-N 114.479 -1.237 . . . . 0.0 112.221 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 87.7 t80 -156.96 132.25 9.15 Favored 'General case' 0 N--CA 1.428 -1.569 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 176.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 29.4 m -98.23 107.0 19.36 Favored 'General case' 0 N--CA 1.424 -1.736 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 176.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -83.41 118.48 23.75 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -66.44 131.25 45.64 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.089 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 36.2 t80 -101.55 142.03 33.53 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -70.93 75.67 0.64 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.414 0.626 . . . . 0.0 111.41 -178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 23.6 tptm -173.61 -39.4 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.773 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 149.71 -39.67 0.89 Allowed Glycine 0 N--CA 1.438 -1.203 0 C-N-CA 120.098 -1.049 . . . . 0.0 112.316 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1546 ' ' TRP . . . . . 0.48 ' CD1' ' HA2' ' A' 1568 ' ' GLY . 13.5 p90 -83.59 177.48 8.4 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.807 0.337 . . . . 0.0 111.149 -178.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -134.84 156.56 22.56 Favored Glycine 0 N--CA 1.425 -2.065 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 51.8 t -98.68 116.26 41.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -83.72 104.76 14.09 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.3 ptm -129.75 136.25 49.42 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 120.256 -0.578 . . . . 0.0 112.042 -176.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 74.9 m -116.83 146.0 43.17 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.701 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1552 ' ' ILE . . . . . 0.63 ' O ' ' HA ' ' A' 1533 ' ' SER . 2.4 mp -97.58 123.03 49.77 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 75.1 m 62.51 67.39 0.72 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 123.772 0.67 . . . . 0.0 112.366 177.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.23 -170.08 26.71 Favored Glycine 0 N--CA 1.429 -1.8 0 C-N-CA 120.245 -0.979 . . . . 0.0 111.653 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.79 156.61 16.77 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -96.7 141.74 29.57 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -89.67 4.46 49.44 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-O 121.747 0.784 . . . . 0.0 111.673 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 14.5 m120 -76.98 -20.59 55.9 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 175.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1559 ' ' CYS . . . . . 0.506 ' HB3' ' HD2' ' A' 1560 ' ' PRO . 74.1 m -132.07 174.36 4.8 Favored Pre-proline 0 N--CA 1.429 -1.517 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.377 -176.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1560 ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 39.1 Cg_exo -48.83 137.63 27.32 Favored 'Trans proline' 0 C--N 1.366 1.448 0 C-N-CA 122.968 2.446 . . . . 0.0 112.549 174.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1561 ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 53.2 Cg_exo -57.13 107.49 0.29 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.01 2.473 . . . . 0.0 111.448 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 140.75 -21.36 2.69 Favored Glycine 0 N--CA 1.436 -1.33 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 42.6 t -87.11 136.76 22.27 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 176.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -99.56 -23.89 10.61 Favored Glycine 0 C--N 1.315 -0.604 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.619 -177.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -155.03 140.48 17.79 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 120.699 0.285 . . . . 0.0 110.36 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 67.2 m -125.68 133.67 52.09 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.378 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 60.7 t80 -96.44 119.86 35.69 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.505 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1568 ' ' GLY . . . . . 0.48 ' HA2' ' CD1' ' A' 1546 ' ' TRP . . . 79.91 176.93 50.08 Favored Glycine 0 N--CA 1.434 -1.48 0 CA-C-N 115.472 -0.785 . . . . 0.0 114.195 171.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -76.55 -14.77 59.99 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 14.7 m -71.65 -12.54 61.39 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.894 175.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 61.0 35.89 18.8 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 124.74 1.216 . . . . 0.0 112.129 172.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 76.1 mt -71.4 130.72 35.08 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.293 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 5.0 p -70.29 110.68 5.39 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-O 121.736 0.779 . . . . 0.0 110.635 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.505 HG23 ' HB3' ' A' 1606 ' ' TYR . 7.8 p -107.66 17.59 6.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.106 0 CA-C-O 122.373 1.083 . . . . 0.0 109.599 -176.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 168.35 138.27 2.43 Favored Glycine 0 N--CA 1.428 -1.864 0 CA-C-N 114.858 -1.065 . . . . 0.0 112.892 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 27.9 tptp -85.55 140.82 30.32 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -59.01 129.79 43.87 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 123.869 0.73 . . . . 0.0 110.146 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1578 ' ' ASN . . . . . 0.418 HD21 ' HB3' ' A' 1580 ' ' ARG . 36.4 t30 -152.02 147.84 27.0 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -174.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 61.1 mttp -126.86 22.09 6.83 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.204 0.526 . . . . 0.0 109.788 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1580 ' ' ARG . . . . . 0.418 ' HB3' HD21 ' A' 1578 ' ' ASN . 29.2 ttm180 -75.04 97.32 3.38 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' 1588 ' ' LEU . 1.4 tt -84.88 119.6 25.52 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -175.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -105.22 124.29 49.28 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1583 ' ' TYR . . . . . 0.481 ' CE1' ' HA ' ' A' 1586 ' ' GLN . 58.7 t80 -94.5 105.86 17.83 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 175.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 4.4 p -131.42 113.33 23.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-O 121.482 0.658 . . . . 0.0 112.082 -175.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 35.8 t70 57.3 47.0 17.55 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.626 1.17 . . . . 0.0 110.378 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1586 ' ' GLN . . . . . 0.481 ' HA ' ' CE1' ' A' 1583 ' ' TYR . 50.2 mt-30 69.05 -1.23 2.16 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 114.341 -1.3 . . . . 0.0 113.803 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 47.8 t -107.26 141.24 22.97 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 -178.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.516 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 85.0 mt -90.48 142.59 27.59 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -134.25 128.38 33.75 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.108 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 58.3 mt -116.97 127.33 54.09 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 171.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 9.7 p -124.24 133.77 68.43 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.206 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.594 -176.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -111.43 94.87 5.19 Favored 'General case' 0 N--CA 1.425 -1.724 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 97.2 mttt -95.27 -167.84 1.69 Allowed 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 61.34 38.91 15.93 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -87.51 -163.03 38.55 Favored Glycine 0 N--CA 1.434 -1.451 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.757 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 8.0 t -63.1 145.01 97.14 Favored Pre-proline 0 CA--C 1.562 1.436 0 C-N-CA 124.147 0.979 . . . . 0.0 110.317 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -70.67 127.54 14.0 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.931 2.421 . . . . 0.0 112.229 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1598 ' ' CYS . . . . . 0.454 ' HA ' ' HD3' ' A' 1599 ' ' PRO . 57.6 m -82.56 125.51 75.88 Favored Pre-proline 0 C--N 1.306 -1.289 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.85 -177.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1599 ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 2.7 Cg_exo -81.26 3.07 8.1 Favored 'Trans proline' 0 CA--C 1.546 1.089 0 C-N-CA 122.826 2.351 . . . . 0.0 111.177 173.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 35.7 t -73.09 -58.3 3.41 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.681 -178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -151.88 -175.86 5.4 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -177.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 61.4 m -71.64 167.47 19.74 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 73.1 44.48 35.63 Favored Glycine 0 CA--C 1.5 -0.853 0 N-CA-C 107.208 -2.357 . . . . 0.0 107.208 -171.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.61 88.41 4.53 Favored 'General case' 0 N--CA 1.424 -1.769 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -171.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 57.6 m -159.52 121.77 3.43 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.507 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.564 ' CD2' ' HB3' ' A' 1634 ' ' CYS . 47.0 m-85 -68.19 132.96 48.09 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 170.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1607 ' ' LYS . . . . . 0.562 ' O ' ' HA ' ' A' 1635 ' ' THR . 8.8 ptmm? -146.61 129.62 16.41 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.449 -176.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 23.1 m -108.61 132.31 54.0 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.079 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 80.9 t -114.22 116.9 53.96 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 51.5 mt -104.31 115.99 47.26 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 23.0 t -101.88 115.34 30.33 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.516 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 92.1 m-85 -93.93 107.01 18.96 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -178.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 50.3 t -94.28 143.08 12.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.689 -175.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1614 ' ' CYS . . . . . 0.421 ' SG ' ' HD3' ' A' 1616 ' ' PRO . 5.8 t -58.12 116.94 3.86 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 124.578 1.151 . . . . 0.0 112.125 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -140.29 78.97 22.05 Favored Pre-proline 0 C--N 1.314 -0.945 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 176.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1616 ' ' PRO . . . . . 0.421 ' HD3' ' SG ' ' A' 1614 ' ' CYS . 29.5 Cg_exo -63.09 -35.96 61.64 Favored 'Trans proline' 0 N--CA 1.475 0.44 0 C-N-CA 123.188 2.592 . . . . 0.0 113.158 -176.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.03 41.54 1.18 Allowed 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 121.632 0.729 . . . . 0.0 110.427 -179.119 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -58.38 167.64 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -173.9 -117.3 0.46 Allowed Glycine 0 N--CA 1.433 -1.509 0 N-CA-C 108.321 -1.911 . . . . 0.0 108.321 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -68.18 -0.65 5.92 Favored 'Trans proline' 0 N--CA 1.487 1.137 0 C-N-CA 123.144 2.563 . . . . 0.0 111.787 176.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1621 ' ' THR . . . . . 0.428 ' O ' ' HB2' ' A' 1641 ' ' HIS . 13.6 p -81.12 -6.77 59.2 Favored 'General case' 0 N--CA 1.432 -1.366 0 C-N-CA 124.583 1.153 . . . . 0.0 111.745 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -85.68 53.78 2.89 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 122.144 0.974 . . . . 0.0 109.558 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -135.2 146.3 57.63 Favored Pre-proline 0 C--N 1.314 -0.942 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -76.29 122.72 6.74 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.456 2.104 . . . . 0.0 112.77 -177.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 92.8 mtp -104.05 135.04 46.3 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 177.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.6 tt -88.2 117.48 27.13 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 51.1 mm -93.73 -54.67 6.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.381 -176.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.3 m -137.34 132.21 33.27 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.42 HD22 ' HG ' ' A' 1636 ' ' LEU . 0.3 OUTLIER -108.33 95.69 5.84 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 178.879 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 13.6 t70 -91.41 107.18 19.02 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.018 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 67.4 mttm -84.55 1.03 47.74 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.473 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -91.34 -45.54 8.53 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.751 -174.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 28.0 p -113.83 10.28 17.74 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.5 0.666 . . . . 0.0 110.522 177.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.564 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 61.6 m 57.61 48.08 14.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.454 -1.248 . . . . 0.0 112.246 175.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1635 ' ' THR . . . . . 0.562 ' HA ' ' O ' ' A' 1607 ' ' LYS . 74.4 m -114.55 123.33 49.1 Favored 'General case' 0 N--CA 1.423 -1.825 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.42 ' HG ' HD22 ' A' 1629 ' ' LEU . 6.1 mp -106.0 125.41 50.96 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -99.36 115.38 29.07 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.27 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -111.85 134.73 53.22 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 177.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 30.7 t -109.26 128.12 54.82 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -118.03 135.5 54.14 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1641 ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' 1621 ' ' THR . 44.4 m170 -105.34 110.01 22.21 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.326 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 6.6 t -140.36 143.94 35.16 Favored Pre-proline 0 CA--C 1.545 0.759 0 CA-C-O 121.304 0.573 . . . . 0.0 111.051 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -75.0 -10.04 21.04 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 123.414 2.743 . . . . 0.0 111.319 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 95.2 mt -80.31 -14.05 58.69 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.471 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -101.92 16.31 26.36 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.416 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 15.0 t -132.45 153.42 50.89 Favored 'General case' 0 N--CA 1.422 -1.872 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.554 -176.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -124.14 75.01 1.34 Allowed 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 122.116 0.96 . . . . 0.0 109.13 175.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 54.0 tp -124.63 102.37 7.57 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.205 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.958 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.078 -178.856 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 88.0 mtp . . . . . 0 CA--C 1.495 -1.168 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -77.55 99.55 5.76 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 29.5 m -78.37 -1.92 35.72 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.921 -175.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -106.58 4.66 28.28 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.625 0.726 . . . . 0.0 109.714 175.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -107.55 4.52 26.12 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 176.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -146.71 132.24 18.73 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 114.475 -1.239 . . . . 0.0 108.51 -175.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1514 ' ' ASP . . . . . 0.448 ' O ' ' HG3' ' A' 1579 ' ' LYS . 32.3 t70 49.12 62.54 2.55 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 124.568 1.167 . . . . 0.0 110.11 177.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -126.4 54.01 1.6 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 121.616 0.722 . . . . 0.0 111.808 -172.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1516 ' ' CYS . . . . . 0.494 ' HA ' ' HB2' ' A' 1581 ' ' LEU . 79.5 m 60.41 42.22 14.92 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 175.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.44 ' HB2' HD11 ' A' 1526 ' ' LEU . 12.2 pt20 -139.89 129.54 24.43 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 174.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 60.8 t -120.41 128.1 75.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1519 ' ' THR . . . . . 0.451 ' O ' ' HD3' ' A' 1521 ' ' PRO . 7.4 m -102.36 121.37 42.17 Favored 'General case' 0 C--N 1.282 -2.328 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 177.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 44.7 t30 -97.22 104.98 21.7 Favored Pre-proline 0 C--N 1.31 -1.144 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 175.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1521 ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' A' 1519 ' ' THR . 34.8 Cg_exo -61.69 -16.72 50.37 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.689 2.926 . . . . 0.0 114.017 -175.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 15.5 m -67.49 -44.13 79.27 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.714 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 18.7 p -112.28 -5.82 14.13 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.314 0.578 . . . . 0.0 112.12 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 71.21 22.91 78.54 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.895 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 31.5 m170 -94.87 131.24 40.98 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 120.96 0.409 . . . . 0.0 111.871 -176.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1526 ' ' LEU . . . . . 0.44 HD11 ' HB2' ' A' 1517 ' ' GLN . 58.5 tp -97.42 108.87 21.68 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -92.95 112.93 25.06 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -126.49 160.24 31.13 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 92.9 mt -120.34 28.57 7.95 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 10.6 m -61.51 -38.99 89.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.766 0.317 . . . . 0.0 111.509 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 14.6 m -61.81 -22.59 65.6 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 122.966 0.507 . . . . 0.0 112.257 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 4.4 pp -120.28 16.51 12.28 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.34 0.591 . . . . 0.0 111.823 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 30.8 t -90.08 120.35 31.19 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -140.53 127.27 3.41 Favored Glycine 0 N--CA 1.421 -2.356 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1535 ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' 1556 ' ' ASN . 10.2 ptp180 -83.2 -17.9 41.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.133 0.492 . . . . 0.0 111.479 -178.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -72.66 -33.14 66.36 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 175.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 88.45 -165.87 34.24 Favored Glycine 0 N--CA 1.411 -3.002 0 CA-C-N 113.926 -1.488 . . . . 0.0 112.732 174.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -133.1 135.25 45.15 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1539 ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' 1548 ' ' VAL . 18.0 m -105.79 107.61 18.69 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -83.47 129.76 34.99 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -75.98 111.95 11.89 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.578 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 57.6 t80 -111.08 102.99 11.4 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . 61.79 23.64 13.93 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 124.864 1.266 . . . . 0.0 112.681 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.507 ' NZ ' ' HB2' ' A' 1544 ' ' LYS . 0.1 OUTLIER 51.9 57.18 6.78 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.418 1.087 . . . . 0.0 109.909 -175.168 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -169.35 -44.71 0.03 OUTLIER Glycine 0 CA--C 1.488 -1.627 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.394 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 99.1 m95 -100.01 122.26 42.63 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.637 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -107.49 102.9 1.87 Allowed Glycine 0 N--CA 1.416 -2.665 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1548 ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' 1539 ' ' THR . 7.7 p -83.13 113.63 22.6 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.314 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -91.95 104.7 17.08 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 17.0 ptm -119.46 119.86 35.14 Favored 'General case' 0 C--N 1.279 -2.458 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.339 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 48.4 t -88.8 147.26 24.52 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.84 98.97 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.696 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 22.8 t 68.07 59.36 0.44 Allowed 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.934 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 169.29 173.71 37.13 Favored Glycine 0 N--CA 1.432 -1.597 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -81.29 135.99 35.75 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 178.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' 1535 ' ' ARG . 21.2 t-20 -78.85 129.49 34.63 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 120.689 0.281 . . . . 0.0 110.966 -175.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -65.81 -15.66 63.09 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 7.2 t30 -93.32 -11.48 32.31 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 122.048 0.927 . . . . 0.0 108.712 177.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1559 ' ' CYS . . . . . 0.421 ' HB3' ' HB ' ' A' 1563 ' ' VAL . 70.8 m -103.64 155.87 36.32 Favored Pre-proline 0 C--N 1.299 -1.602 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.132 -177.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -61.09 125.73 17.76 Favored 'Trans proline' 0 C--O 1.248 1.009 0 C-N-CA 122.475 2.116 . . . . 0.0 109.778 173.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -39.22 114.17 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 124.954 3.769 . . . . 0.0 113.395 -177.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 127.83 -27.91 4.52 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 -177.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1563 ' ' VAL . . . . . 0.421 ' HB ' ' HB3' ' A' 1559 ' ' CYS . 61.9 t -88.64 141.01 14.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.039 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -105.21 -25.84 6.54 Favored Glycine 0 N--CA 1.441 -0.978 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.594 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -144.95 134.04 22.68 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 120.803 0.335 . . . . 0.0 110.735 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 79.7 m -129.21 133.89 47.75 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.85 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 50.0 t80 -95.5 114.08 25.81 Favored 'General case' 0 N--CA 1.42 -1.939 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 82.9 169.61 44.71 Favored Glycine 0 N--CA 1.44 -1.099 0 CA-C-N 115.72 -0.673 . . . . 0.0 113.537 175.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -70.57 -15.52 62.77 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.598 0.713 . . . . 0.0 109.307 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 14.4 m -65.66 -16.14 63.46 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 114.616 -1.175 . . . . 0.0 109.785 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 62.6 36.73 13.51 Favored 'General case' 0 CA--C 1.505 -0.77 0 C-N-CA 125.378 1.471 . . . . 0.0 112.155 176.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.76 114.0 5.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 11.1 p -64.52 117.77 7.83 Favored 'General case' 0 N--CA 1.428 -1.533 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.525 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' 1606 ' ' TYR . 11.2 p -120.32 36.37 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 CA-C-O 123.371 1.558 . . . . 0.0 108.536 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1575 ' ' GLY . . . . . 0.488 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 148.44 132.43 2.16 Favored Glycine 0 N--CA 1.416 -2.65 0 CA-C-N 114.054 -1.43 . . . . 0.0 113.366 177.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 48.0 tptt -75.29 157.57 34.17 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 174.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -67.38 79.27 0.16 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.44 0.638 . . . . 0.0 111.649 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.5 148.6 23.33 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.222 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1579 ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' 1514 ' ' ASP . 17.7 pttp -146.01 33.35 1.01 Allowed 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 122.39 1.09 . . . . 0.0 109.907 -178.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -94.86 94.67 8.19 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 114.006 -1.452 . . . . 0.0 109.235 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.676 HD11 ' HB3' ' A' 1588 ' ' LEU . 33.0 tp -81.57 130.0 34.89 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.351 -175.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1582 ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' 1588 ' ' LEU . 97.3 mtt180 -112.36 141.17 46.41 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 68.9 t80 -111.85 99.86 8.46 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 174.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 12.9 m -131.67 119.19 41.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.679 -174.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 19.7 m-20 61.37 39.4 15.32 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.576 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 58.84 37.61 24.8 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.693 -1.139 . . . . 0.0 111.445 -176.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 63.2 t -135.3 134.29 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 175.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.676 ' HB3' HD11 ' A' 1581 ' ' LEU . 93.2 mt -89.51 132.47 35.04 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 175.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -124.9 130.65 52.79 Favored 'General case' 0 C--N 1.283 -2.319 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.468 -175.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 61.4 mt -119.64 123.2 43.27 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 172.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 65.9 t -112.05 114.11 46.11 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1592 ' ' TYR . . . . . 0.488 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 76.8 m-85 -94.04 89.54 6.08 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.087 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 25.5 pttm -99.89 169.39 9.25 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.536 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 38.0 t70 68.44 92.89 0.08 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.925 1.29 . . . . 0.0 112.489 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -135.57 -129.38 2.85 Favored Glycine 0 N--CA 1.422 -2.259 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 28.8 m -83.02 143.67 46.22 Favored Pre-proline 0 C--N 1.287 -2.123 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.8 143.01 44.69 Favored 'Trans proline' 0 C--O 1.241 0.658 0 C-N-CA 122.522 2.148 . . . . 0.0 111.222 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1598 ' ' CYS . . . . . 0.409 ' HA ' ' HD3' ' A' 1599 ' ' PRO . 59.1 m -80.53 119.45 76.33 Favored Pre-proline 0 C--N 1.309 -1.185 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.172 -178.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1599 ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 8.0 Cg_exo -65.7 -27.57 52.51 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.439 2.093 . . . . 0.0 112.085 -177.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 42.3 m -83.14 -12.91 56.55 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 26.2 tptp -150.54 98.67 2.67 Favored 'General case' 0 C--O 1.248 0.988 0 C-N-CA 119.939 -0.705 . . . . 0.0 109.912 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 5.4 p -63.29 121.77 14.53 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.489 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 116.21 -16.2 15.27 Favored Glycine 0 N--CA 1.436 -1.354 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.045 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 59.6 mt -105.82 165.18 11.37 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.189 0.519 . . . . 0.0 111.274 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 11.3 t -144.88 147.41 32.75 Favored 'General case' 0 N--CA 1.416 -2.138 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.447 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 98.4 m-85 -66.25 120.32 13.04 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 123.933 0.77 . . . . 0.0 110.036 178.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -135.02 158.65 43.81 Favored 'General case' 0 C--O 1.25 1.103 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.551 -176.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 33.7 t -125.4 135.34 52.29 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.84 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 86.6 t -115.59 116.02 51.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 54.2 mt -104.57 118.49 51.94 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 10.9 t -105.29 108.91 20.67 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.513 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 84.3 m-85 -89.52 99.93 12.83 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 123.274 0.63 . . . . 0.0 109.339 -179.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 47.1 t -92.86 135.69 27.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.196 -177.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1614 ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' 1642 ' ' THR . 24.3 m -66.34 115.29 6.12 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 123.722 0.809 . . . . 0.0 110.16 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -148.76 117.59 3.97 Favored Pre-proline 0 C--N 1.309 -1.185 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -69.0 -16.11 40.49 Favored 'Trans proline' 0 N--CA 1.485 1.006 0 C-N-CA 123.323 2.682 . . . . 0.0 113.088 177.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -75.21 41.36 0.17 Allowed 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.091 0.956 . . . . 0.0 110.977 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -87.42 -170.04 2.86 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 123.369 0.668 . . . . 0.0 111.842 -174.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 117.28 -103.18 1.07 Allowed Glycine 0 N--CA 1.437 -1.287 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -85.04 8.41 4.64 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 122.914 2.409 . . . . 0.0 110.503 174.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 5.2 m -99.46 5.88 46.09 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.069 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -86.65 51.96 2.38 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.918 0.866 . . . . 0.0 109.428 -175.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -121.89 137.58 27.49 Favored Pre-proline 0 C--N 1.299 -1.596 0 CA-C-N 114.755 -1.112 . . . . 0.0 108.37 -176.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -73.59 122.05 7.55 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 121.413 1.409 . . . . 0.0 109.701 175.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 14.1 tpt -111.66 131.66 55.13 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.9 tt -78.11 117.34 19.31 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 -178.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.9 mm -96.8 -47.36 12.76 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.317 -175.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1628 ' ' SER . . . . . 0.409 ' HB2' ' CD2' ' A' 1637 ' ' PHE . 21.1 m -137.91 126.81 24.01 Favored 'General case' 0 C--N 1.31 -1.151 0 O-C-N 122.105 -0.372 . . . . 0.0 110.076 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.25 109.59 21.47 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.7 t70 -117.71 107.86 14.7 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.154 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -84.29 -17.64 38.97 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -67.99 -50.59 54.74 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.97 0.414 . . . . 0.0 110.957 -176.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 42.3 p -99.5 4.36 45.97 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.424 0.631 . . . . 0.0 110.51 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.447 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 55.9 m 57.4 43.86 22.5 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.112 1.365 . . . . 0.0 111.481 176.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 28.3 m -120.37 116.15 24.93 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-O 121.062 0.458 . . . . 0.0 110.151 -176.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.8 mp -97.69 118.86 35.17 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1637 ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' A' 1628 ' ' SER . 93.4 m-85 -94.56 119.84 33.86 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.797 -177.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -119.41 142.38 48.26 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 29.0 t -117.43 142.3 47.3 Favored 'General case' 0 N--CA 1.408 -2.533 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1640 ' ' TRP . . . . . 0.45 ' O ' ' HA ' ' A' 1612 ' ' PHE . 4.8 t-105 -125.86 135.88 52.45 Favored 'General case' 0 N--CA 1.415 -2.18 0 N-CA-C 105.315 -2.105 . . . . 0.0 105.315 176.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -109.26 109.06 19.88 Favored 'General case' 0 C--N 1.279 -2.496 0 CA-C-O 121.236 0.541 . . . . 0.0 111.097 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1642 ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' 1614 ' ' CYS . 8.8 t -130.59 143.87 51.05 Favored Pre-proline 0 N--CA 1.426 -1.659 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.593 -175.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -83.87 0.78 9.18 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.713 2.275 . . . . 0.0 111.117 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.6 mt -91.97 -5.66 52.65 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.365 -178.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -79.57 -17.43 53.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.355 0.598 . . . . 0.0 111.536 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 60.4 m -130.98 156.99 44.17 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -76.59 75.37 3.29 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 122.155 0.979 . . . . 0.0 110.424 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 50.9 tp -85.54 127.37 34.42 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.427 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.558 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 177.543 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 CA--C 1.516 -0.362 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 61.6 mttp -116.86 142.81 46.45 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 57.1 m 58.77 52.65 6.47 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 124.475 1.109 . . . . 0.0 109.785 -176.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -67.87 -50.52 55.94 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.556 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -83.24 96.56 8.49 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 177.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1513 ' ' HIS . . . . . 0.488 ' O ' ' HE3' ' A' 1579 ' ' LYS . 78.6 m80 -77.18 102.45 6.62 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.812 -178.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 26.5 t70 -136.6 72.25 1.43 Allowed 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 122.196 0.998 . . . . 0.0 108.656 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 4.3 p30 -100.89 -50.79 3.73 Favored 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.419 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 7.4 t 56.76 46.11 20.56 Favored 'General case' 0 C--O 1.257 1.448 0 CA-C-O 122.32 1.057 . . . . 0.0 108.617 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.568 ' HB3' HD11 ' A' 1526 ' ' LEU . 73.6 mt-30 -136.78 143.38 43.19 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 114.24 -1.345 . . . . 0.0 109.737 -176.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 59.1 t -128.93 117.76 45.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.925 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 23.9 m -94.71 112.47 24.21 Favored 'General case' 0 N--CA 1.425 -1.722 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 174.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -95.69 118.61 65.94 Favored Pre-proline 0 C--N 1.295 -1.777 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -66.97 -18.22 51.92 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.158 2.572 . . . . 0.0 114.352 -174.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 19.6 m -78.56 -44.74 23.44 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.196 0.522 . . . . 0.0 110.476 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 25.1 p -83.24 -39.49 20.84 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-O 121.876 0.846 . . . . 0.0 110.312 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 87.91 10.11 69.98 Favored Glycine 0 N--CA 1.432 -1.608 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.505 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -106.65 140.21 39.87 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-O 121.181 0.515 . . . . 0.0 110.67 -174.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1526 ' ' LEU . . . . . 0.568 HD11 ' HB3' ' A' 1517 ' ' GLN . 51.8 tp -89.33 110.94 21.67 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 114.699 -1.137 . . . . 0.0 108.497 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -88.56 129.17 35.54 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.4 t70 -128.78 132.5 47.88 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 123.592 0.558 . . . . 0.0 112.094 -173.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1529 ' ' LEU . . . . . 0.478 HD22 HD12 ' A' 1532 ' ' LEU . 82.2 mt -121.1 21.51 11.24 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.723 177.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 63.8 p -64.4 -32.26 73.81 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 17.2 m -70.23 -15.4 62.91 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.119 0.485 . . . . 0.0 110.966 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1532 ' ' LEU . . . . . 0.478 HD12 HD22 ' A' 1529 ' ' LEU . 94.2 mt -101.2 -19.43 15.72 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.529 177.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1533 ' ' SER . . . . . 0.549 ' HA ' ' O ' ' A' 1552 ' ' ILE . 23.3 t -66.95 143.12 57.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.124 -178.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1534 ' ' GLY . . . . . 0.447 ' O ' ' HB3' ' A' 1551 ' ' SER . . . -169.5 146.79 10.39 Favored Glycine 0 N--CA 1.435 -1.392 0 N-CA-C 110.064 -1.215 . . . . 0.0 110.064 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -84.69 -33.63 23.14 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -77.0 -34.71 57.49 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.632 0.729 . . . . 0.0 110.143 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 76.11 -146.95 34.07 Favored Glycine 0 N--CA 1.436 -1.361 0 CA-C-N 114.64 -1.164 . . . . 0.0 113.897 173.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -132.87 136.01 45.95 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 90.3 m -110.02 118.75 37.26 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -118.87 118.68 32.2 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1541 ' ' ALA . . . . . 0.423 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -94.16 115.9 28.24 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.444 -178.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1542 ' ' TYR . . . . . 0.515 ' HB2' ' HB2' ' A' 1546 ' ' TRP . 47.5 m-85 -97.72 107.89 20.49 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.562 176.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . 59.71 27.72 17.03 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.328 1.451 . . . . 0.0 113.47 176.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 50.71 75.03 0.2 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.306 1.043 . . . . 0.0 111.031 -178.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 168.09 -44.21 0.23 Allowed Glycine 0 C--N 1.299 -1.521 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -176.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1546 ' ' TRP . . . . . 0.515 ' HB2' ' HB2' ' A' 1542 ' ' TYR . 94.0 m95 -100.09 72.56 1.67 Allowed 'General case' 0 N--CA 1.429 -1.501 0 CA-C-O 121.635 0.731 . . . . 0.0 109.678 176.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1547 ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . -84.86 115.58 4.13 Favored Glycine 0 N--CA 1.427 -1.91 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 177.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 11.8 p -95.5 122.0 46.58 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 CA-C-O 121.452 0.644 . . . . 0.0 109.515 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -104.61 104.38 14.19 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.6 ptm -134.35 133.29 40.48 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 121.105 0.479 . . . . 0.0 112.092 -172.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1551 ' ' SER . . . . . 0.447 ' HB3' ' O ' ' A' 1534 ' ' GLY . 72.9 m -111.52 154.85 24.16 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 176.119 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1552 ' ' ILE . . . . . 0.549 ' O ' ' HA ' ' A' 1533 ' ' SER . 50.0 mm -100.07 114.78 39.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.138 -176.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1553 ' ' CYS . . . . . 0.478 ' SG ' ' HB2' ' A' 1579 ' ' LYS . 25.9 t 66.28 61.46 0.59 Allowed 'General case' 0 C--O 1.251 1.158 0 O-C-N 124.257 0.973 . . . . 0.0 110.958 171.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 159.85 -161.32 32.26 Favored Glycine 0 N--CA 1.434 -1.487 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.689 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.68 150.33 22.86 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 122.517 0.327 . . . . 0.0 110.695 178.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 9.3 p30 -103.26 147.43 27.06 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.49 -177.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -91.12 4.64 51.67 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.194 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 15.9 m120 -85.04 -7.87 58.94 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 122.072 0.939 . . . . 0.0 108.533 -178.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 78.3 m -145.22 174.82 3.13 Favored Pre-proline 0 C--N 1.293 -1.89 0 N-CA-C 104.706 -2.331 . . . . 0.0 104.706 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -59.9 125.93 19.02 Favored 'Trans proline' 0 C--O 1.251 1.163 0 C-N-CA 121.288 1.326 . . . . 0.0 110.951 174.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -51.96 115.61 2.25 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 123.159 2.573 . . . . 0.0 111.033 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 148.83 -33.25 1.17 Allowed Glycine 0 C--N 1.295 -1.742 0 N-CA-C 107.126 -2.39 . . . . 0.0 107.126 -176.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 44.0 t -84.89 137.09 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 173.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -89.24 -40.74 6.02 Favored Glycine 0 N--CA 1.44 -1.077 0 N-CA-C 111.71 -0.556 . . . . 0.0 111.71 -177.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -150.14 143.83 25.3 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.732 0.301 . . . . 0.0 110.314 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 83.3 m -122.19 133.66 54.72 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 68.9 t80 -114.63 127.2 55.65 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -178.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 103.81 153.92 23.54 Favored Glycine 0 N--CA 1.429 -1.821 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.739 175.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -60.57 -26.55 67.01 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 123.544 0.738 . . . . 0.0 111.474 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.6 m -85.46 -2.16 57.83 Favored 'General case' 0 CA--C 1.56 1.365 0 CA-C-O 121.815 0.817 . . . . 0.0 111.11 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 63.81 57.92 1.31 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.229 1.411 . . . . 0.0 112.393 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 68.4 mt -74.23 121.07 24.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 33.1 p -64.74 118.49 9.02 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-O 121.182 0.515 . . . . 0.0 110.86 -178.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1574 ' ' VAL . . . . . . . . . . . . . 13.3 p -113.64 29.33 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.253 0 CA-C-O 122.785 1.279 . . . . 0.0 109.657 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 144.94 150.84 5.3 Favored Glycine 0 N--CA 1.419 -2.484 0 CA-C-N 114.771 -1.104 . . . . 0.0 113.58 173.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -83.89 159.56 21.3 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 124.273 1.029 . . . . 0.0 108.758 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -61.32 89.63 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 124.106 0.962 . . . . 0.0 111.854 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.46 131.83 53.18 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1579 ' ' LYS . . . . . 0.488 ' HE3' ' O ' ' A' 1513 ' ' HIS . 52.9 pttt -132.2 32.96 3.92 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-O 122.496 1.141 . . . . 0.0 110.628 176.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -90.46 92.71 8.99 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 173.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 1.5 tt -74.74 127.44 33.14 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 114.533 -1.212 . . . . 0.0 108.183 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -108.15 140.78 40.87 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.473 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 62.6 t80 -117.47 99.74 7.19 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 173.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 16.5 m -133.24 130.75 57.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.631 -175.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 22.2 m-20 56.84 36.32 27.55 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.644 0.778 . . . . 0.0 111.474 -177.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 62.39 29.09 17.16 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-N 114.732 -1.122 . . . . 0.0 112.084 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 79.6 t -127.05 139.65 51.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 177.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.496 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 95.9 mt -90.5 130.55 36.54 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 175.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -126.62 135.4 51.16 Favored 'General case' 0 C--N 1.288 -2.078 0 CA-C-O 120.963 0.411 . . . . 0.0 111.423 -175.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 82.5 mt -121.15 123.59 42.65 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 171.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 5.7 p -124.0 118.65 54.59 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.935 0 CA-C-O 121.2 0.524 . . . . 0.0 110.938 -177.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1592 ' ' TYR . . . . . 0.424 ' HB2' ' OG ' ' A' 1608 ' ' SER . 81.4 m-85 -96.64 107.73 20.22 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 176.37 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.47 170.85 8.01 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.66 -177.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 38.7 t70 70.21 45.9 0.64 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.739 1.216 . . . . 0.0 110.985 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -87.77 -138.3 5.83 Favored Glycine 0 N--CA 1.434 -1.441 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1596 ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 70.5 m -69.58 133.15 88.93 Favored Pre-proline 0 C--N 1.304 -1.403 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 177.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1597 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' 1596 ' ' SER . 27.3 Cg_exo -64.15 140.15 70.09 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.845 2.363 . . . . 0.0 111.375 178.304 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 60.9 m -82.37 112.72 38.72 Favored Pre-proline 0 C--N 1.303 -1.448 0 C-N-CA 122.965 0.506 . . . . 0.0 111.005 -178.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -63.94 -26.97 66.57 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.914 2.409 . . . . 0.0 112.374 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 7.9 m -85.4 -16.85 38.44 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.225 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 23.3 tptm -142.0 92.64 2.46 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 35.9 m -62.48 124.4 20.85 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.338 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 118.88 -23.41 8.78 Favored Glycine 0 N--CA 1.436 -1.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.826 -178.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 70.5 mt -109.48 155.1 21.74 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.393 0.616 . . . . 0.0 112.096 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 37.5 m -129.59 149.9 51.15 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 175.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.503 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 98.1 m-85 -66.12 126.41 28.56 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 123.276 0.36 . . . . 0.0 110.957 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -122.5 147.98 45.71 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.426 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1608 ' ' SER . . . . . 0.424 ' OG ' ' HB2' ' A' 1592 ' ' TYR . 5.5 p -111.69 120.02 40.62 Favored 'General case' 0 C--N 1.284 -2.253 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.525 177.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 88.5 t -108.76 113.88 45.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.395 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 61.7 mt -98.85 114.72 37.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 12.1 t -107.15 113.89 27.61 Favored 'General case' 0 N--CA 1.416 -2.147 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.496 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 93.9 m-85 -90.42 99.11 12.19 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1613 ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' 1641 ' ' HIS . 21.6 t -87.04 136.39 23.09 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1614 ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' A' 1642 ' ' THR . 45.3 t -75.78 122.16 23.64 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.397 0.617 . . . . 0.0 112.574 -174.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -131.58 91.71 33.42 Favored Pre-proline 0 C--N 1.301 -1.532 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 173.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1616 ' ' PRO . . . . . 0.42 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 50.8 Cg_exo -58.21 -22.09 55.12 Favored 'Trans proline' 0 N--CA 1.482 0.831 0 C-N-CA 123.577 2.851 . . . . 0.0 113.303 -177.045 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -79.17 -17.98 53.93 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.315 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . 61.53 -158.27 0.33 Allowed 'General case' 0 C--N 1.349 0.587 0 O-C-N 124.023 0.827 . . . . 0.0 108.929 -173.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 132.06 -164.97 23.66 Favored Glycine 0 N--CA 1.436 -1.313 0 C-N-CA 120.303 -0.951 . . . . 0.0 111.206 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -82.06 23.41 0.78 Allowed 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 123.164 2.576 . . . . 0.0 112.143 -176.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 1.5 m -114.88 8.81 16.05 Favored 'General case' 0 N--CA 1.423 -1.775 0 CA-C-O 121.964 0.888 . . . . 0.0 109.53 -177.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -90.41 45.74 1.29 Allowed 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 122.836 1.303 . . . . 0.0 107.926 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -144.59 138.11 14.29 Favored Pre-proline 0 C--N 1.288 -2.068 0 CA-C-N 113.942 -1.481 . . . . 0.0 107.406 -171.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.444 ' HD3' ' CZ3' ' A' 1640 ' ' TRP . 46.1 Cg_endo -68.66 123.11 10.11 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 122.376 2.051 . . . . 0.0 112.538 -176.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 51.3 tpp -131.56 133.8 45.42 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.47 116.72 17.42 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 43.9 mm -107.46 -37.21 3.56 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -175.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 17.0 m -137.86 133.34 33.77 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.212 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.73 115.67 26.06 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -178.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.2 t70 -121.43 106.41 11.4 Favored 'General case' 0 C--N 1.31 -1.129 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.624 177.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -73.35 -32.03 64.29 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -65.66 -49.69 67.7 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -176.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 32.2 p -90.35 3.66 53.07 Favored 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 119.753 -0.779 . . . . 0.0 111.249 178.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.503 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 63.6 m 56.96 47.56 17.45 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.24 177.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 23.8 m -125.19 126.57 45.43 Favored 'General case' 0 N--CA 1.424 -1.726 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.566 -175.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.38 119.95 40.81 Favored 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 173.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -94.43 115.65 27.88 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.241 -175.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -109.29 129.6 55.51 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 48.0 m -108.52 134.96 50.57 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-O 120.798 0.332 . . . . 0.0 110.159 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1640 ' ' TRP . . . . . 0.444 ' CZ3' ' HD3' ' A' 1624 ' ' PRO . 2.8 t-105 -129.7 134.02 47.4 Favored 'General case' 0 N--CA 1.427 -1.591 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 175.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1641 ' ' HIS . . . . . 0.47 ' HA ' ' O ' ' A' 1613 ' ' VAL . 18.2 m-70 -111.96 113.16 25.31 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1642 ' ' THR . . . . . 0.547 ' O ' ' HA ' ' A' 1614 ' ' CYS . 11.8 t -138.16 147.15 54.79 Favored Pre-proline 0 C--N 1.305 -1.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.831 -175.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.42 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 13.9 Cg_exo -70.82 -13.64 32.15 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.955 2.436 . . . . 0.0 111.747 174.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.37 -13.88 62.6 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.638 0.775 . . . . 0.0 112.641 -176.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -81.88 -7.28 59.59 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.384 0.611 . . . . 0.0 110.587 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 88.2 m -119.18 160.16 22.65 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.19 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -84.01 75.49 10.14 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 175.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 35.7 tp -107.76 145.86 32.94 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.814 -177.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.605 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -178.978 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 25.1 ptt? . . . . . 0 N--CA 1.472 0.639 0 CA-C-O 121.445 0.641 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -128.14 -53.33 1.3 Allowed 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -177.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 24.6 t -150.22 82.01 1.37 Allowed 'General case' 0 N--CA 1.427 -1.607 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 176.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 12.8 m120 -84.45 -20.91 31.0 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.949 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.26 154.7 38.86 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 174.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 42.4 m80 -87.69 66.78 9.02 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.112 0.482 . . . . 0.0 110.435 -177.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -161.73 81.11 0.58 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.982 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -104.56 -59.82 1.68 Allowed 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 174.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 1.8 t 61.1 37.73 17.56 Favored 'General case' 0 C--O 1.25 1.11 0 CA-C-O 121.563 0.697 . . . . 0.0 109.906 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' A' 1527 ' ' PHE . 19.2 pt20 -158.57 130.47 6.69 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.943 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 52.4 t -112.93 147.79 16.35 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 32.8 m -136.64 123.29 21.05 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -98.01 105.79 30.27 Favored Pre-proline 0 C--N 1.309 -1.193 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.69 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -65.79 -17.94 57.17 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.933 2.422 . . . . 0.0 113.655 -175.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 13.3 m -74.62 -27.59 60.52 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 120.737 0.303 . . . . 0.0 111.456 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 23.5 p -121.69 -23.34 5.57 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 89.54 13.71 60.96 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.459 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 35.8 m80 -85.94 130.38 34.56 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 120.489 0.185 . . . . 0.0 110.622 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.9 tt -113.56 132.27 55.78 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' 1517 ' ' GLN . 83.9 m-85 -123.95 106.54 10.5 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -178.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -121.05 151.65 39.56 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 80.5 mt -117.89 29.29 7.9 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 123.645 0.591 . . . . 0.0 111.185 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1530 ' ' SER . . . . . 0.509 ' HA ' ' OG ' ' A' 1533 ' ' SER . 23.0 t -63.1 -25.79 68.53 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -176.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 42.3 t -72.34 -19.62 61.61 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.469 0.652 . . . . 0.0 110.033 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 82.6 mt -111.48 1.28 16.85 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1533 ' ' SER . . . . . 0.509 ' OG ' ' HA ' ' A' 1530 ' ' SER . 28.2 m -72.39 107.72 5.12 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -154.57 132.45 3.5 Favored Glycine 0 N--CA 1.423 -2.213 0 C-N-CA 120.22 -0.99 . . . . 0.0 111.998 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1535 ' ' ARG . . . . . 0.492 ' O ' ' HA ' ' A' 1556 ' ' ASN . 94.8 mtt180 -77.93 -22.34 49.75 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.147 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -82.73 -25.32 32.99 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 176.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1537 ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 58.45 -121.26 25.71 Favored Glycine 0 CA--C 1.5 -0.894 0 CA-C-N 114.465 -1.243 . . . . 0.0 114.723 172.054 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 68.4 t80 -153.32 149.63 28.07 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 28.1 m -119.61 122.48 41.66 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1540 ' ' ALA . . . . . 0.411 ' O ' HG12 ' A' 1548 ' ' VAL . . . -120.33 140.95 50.52 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 120.809 0.338 . . . . 0.0 110.523 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -110.4 121.84 46.27 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -119.29 158.77 25.4 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -77.39 67.34 3.31 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.759 0.79 . . . . 0.0 110.158 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 29.9 tptp -177.75 -44.03 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -144.82 102.97 0.28 Allowed Glycine 0 N--CA 1.427 -1.92 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 29.5 m-90 -86.08 64.75 8.75 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.639 0.733 . . . . 0.0 110.725 -175.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . 147.63 90.44 0.09 OUTLIER Glycine 0 N--CA 1.416 -2.697 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.364 176.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1548 ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' 1540 ' ' ALA . 12.1 p -112.46 120.46 62.71 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 173.124 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -98.86 104.3 16.33 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1550 ' ' MET . . . . . 0.426 ' O ' ' HA3' ' A' 1537 ' ' GLY . 24.4 ptm -119.91 134.41 55.25 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.671 -173.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 39.2 t -100.8 143.51 30.87 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 175.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 2.2 mp -101.64 109.99 27.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 176.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 49.5 t 64.64 50.16 2.17 Favored 'General case' 0 N--CA 1.446 -0.672 0 O-C-N 124.507 1.13 . . . . 0.0 109.637 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . -179.37 -165.23 33.21 Favored Glycine 0 N--CA 1.431 -1.68 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.724 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -114.89 135.66 53.96 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.492 ' HA ' ' O ' ' A' 1535 ' ' ARG . 18.9 t-20 -80.1 135.29 36.29 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.575 0.702 . . . . 0.0 112.638 -170.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.1 -20.19 57.01 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.391 1.476 . . . . 0.0 113.59 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -97.21 4.54 51.01 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 65.2 m -125.47 155.61 71.63 Favored Pre-proline 0 C--N 1.296 -1.732 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.77 -175.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -52.19 146.43 31.08 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 123.031 2.488 . . . . 0.0 110.894 173.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -54.42 114.78 1.98 Allowed 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 123.64 2.894 . . . . 0.0 112.657 -177.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 113.85 -11.65 22.84 Favored Glycine 0 N--CA 1.427 -1.939 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.827 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 59.0 t -88.52 126.05 41.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 CA-C-N 117.532 0.666 . . . . 0.0 109.49 177.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -88.62 -29.74 17.82 Favored Glycine 0 CA--C 1.506 -0.505 0 C-N-CA 121.188 -0.529 . . . . 0.0 113.469 -174.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -150.36 139.62 21.28 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 120.806 0.336 . . . . 0.0 110.865 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 75.0 m -126.7 133.12 50.99 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.042 177.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 92.0 t80 -106.94 126.26 52.08 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 123.247 0.619 . . . . 0.0 109.941 -177.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 95.28 166.11 35.27 Favored Glycine 0 N--CA 1.433 -1.561 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.446 174.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -67.04 -23.74 65.92 Favored 'General case' 0 C--O 1.247 0.972 0 C-N-CA 123.028 0.531 . . . . 0.0 111.173 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.3 m -87.69 2.25 51.59 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 121.992 0.901 . . . . 0.0 111.307 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.1 53.18 3.71 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.812 176.287 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 70.7 mt -69.26 117.53 12.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 7.1 p -60.34 110.1 1.16 Allowed 'General case' 0 N--CA 1.436 -1.13 0 CA-C-O 121.511 0.672 . . . . 0.0 110.737 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.56 HG23 ' HB3' ' A' 1606 ' ' TYR . 14.1 p -109.33 17.26 7.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 CA-C-O 122.548 1.166 . . . . 0.0 109.393 -176.003 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1575 ' ' GLY . . . . . 0.475 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 161.45 139.28 2.61 Favored Glycine 0 N--CA 1.424 -2.1 0 CA-C-N 114.675 -1.148 . . . . 0.0 113.072 176.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 39.6 tptt -85.15 145.67 27.5 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -59.02 105.57 0.33 Allowed 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 124.117 0.967 . . . . 0.0 112.845 -174.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 33.8 t30 -119.34 131.95 55.79 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 94.0 mttt -116.88 5.54 12.98 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.616 -176.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -78.46 96.87 5.5 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.683 0.754 . . . . 0.0 110.306 -177.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 30.0 mt -75.62 146.55 40.25 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.138 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -125.14 136.84 54.01 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 114.482 -1.236 . . . . 0.0 107.724 174.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1583 ' ' TYR . . . . . 0.533 ' CZ ' ' HA ' ' A' 1586 ' ' GLN . 60.9 t80 -111.86 100.36 8.86 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 175.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 9.4 m -126.1 115.79 43.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.1 -173.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 36.3 t70 57.39 48.33 14.93 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 124.795 1.238 . . . . 0.0 111.574 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1586 ' ' GLN . . . . . 0.533 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 43.1 tt0 64.17 30.66 13.62 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.011 178.082 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 38.2 t -135.52 136.34 50.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.523 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 87.2 mt -92.44 134.95 34.45 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 108.139 -1.059 . . . . 0.0 108.139 174.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -124.72 131.62 53.44 Favored 'General case' 0 C--N 1.29 -2.011 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.494 -177.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 22.2 mt -119.5 123.57 44.32 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 170.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 6.0 p -119.41 116.18 49.99 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 CA-C-O 121.46 0.648 . . . . 0.0 110.629 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1592 ' ' TYR . . . . . 0.475 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 97.4 m-85 -95.24 105.91 17.9 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 176.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 58.8 pttt -110.49 -172.99 2.14 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 12.3 m-20 66.83 29.57 8.34 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 122.958 0.503 . . . . 0.0 112.076 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -78.24 -159.28 12.76 Favored Glycine 0 C--O 1.252 1.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.208 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 50.4 m -64.88 134.91 96.19 Favored Pre-proline 0 C--N 1.309 -1.179 0 C-N-CA 122.424 0.29 . . . . 0.0 110.649 178.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -65.53 129.41 22.42 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.26 1.973 . . . . 0.0 108.994 176.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 55.3 m -61.09 121.91 65.88 Favored Pre-proline 0 C--N 1.311 -1.094 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -177.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -62.17 -21.37 72.41 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.873 2.382 . . . . 0.0 110.864 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 3.3 p -80.62 -36.49 32.57 Favored 'General case' 0 N--CA 1.42 -1.948 0 C-N-CA 124.929 1.292 . . . . 0.0 111.388 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -137.18 94.29 2.93 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.571 -173.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 47.5 m -67.78 100.96 0.99 Allowed 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 121.455 0.645 . . . . 0.0 109.569 176.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 143.69 -24.07 2.14 Favored Glycine 0 N--CA 1.439 -1.145 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 -176.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1604 ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' 1633 ' ' THR . 93.8 mt -107.97 145.57 33.69 Favored 'General case' 0 N--CA 1.432 -1.33 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 47.9 m -131.0 152.78 49.94 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.56 ' HB3' HG23 ' A' 1574 ' ' VAL . 47.4 m-85 -58.84 132.09 52.91 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.723 -0.672 . . . . 0.0 112.009 177.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1607 ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' 1635 ' ' THR . 59.0 mtpt -135.77 136.2 40.55 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.5 -177.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 26.0 m -111.81 122.63 48.32 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 99.2 t -111.14 112.23 39.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 53.7 mt -100.53 113.89 37.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 177.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 20.2 t -102.48 111.56 23.91 Favored 'General case' 0 C--N 1.286 -2.165 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.523 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 95.5 m-85 -88.92 110.4 21.06 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 28.3 m -95.94 141.12 15.84 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.774 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.202 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 34.7 t -63.27 98.83 0.16 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.437 -1.256 . . . . 0.0 111.29 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1615 ' ' ARG . . . . . 0.555 ' NE ' ' HA ' ' A' 1615 ' ' ARG . 1.9 mmp_? -131.13 96.75 21.31 Favored Pre-proline 0 C--N 1.301 -1.519 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.231 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1616 ' ' PRO . . . . . 0.442 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 12.4 Cg_exo -71.44 4.05 3.2 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.519 2.813 . . . . 0.0 113.216 -178.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -59.57 -40.64 88.01 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 123.453 0.701 . . . . 0.0 110.947 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . 45.84 86.55 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.49 1.116 . . . . 0.0 113.789 176.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 177.97 -124.81 0.95 Allowed Glycine 0 C--N 1.296 -1.68 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -70.99 2.75 3.89 Favored 'Trans proline' 0 N--CA 1.484 0.962 0 C-N-CA 123.191 2.594 . . . . 0.0 111.746 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1621 ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' 1641 ' ' HIS . 17.8 p -83.24 -24.38 32.35 Favored 'General case' 0 N--CA 1.419 -1.993 0 C-N-CA 124.541 1.136 . . . . 0.0 110.243 177.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -77.4 64.95 2.86 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.861 -172.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -155.63 161.95 28.39 Favored Pre-proline 0 C--N 1.296 -1.719 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 176.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' 1639 ' ' SER . 83.4 Cg_endo -90.77 148.1 3.99 Favored 'Trans proline' 0 N--CA 1.436 -1.89 0 C-N-CA 122.117 1.878 . . . . 0.0 112.762 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 24.6 mmt -121.67 143.35 49.39 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 173.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.9 tt -86.3 110.48 19.68 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -178.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.8 mm -92.73 -45.15 14.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 CA-C-O 120.941 0.4 . . . . 0.0 111.524 -173.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 21.3 t -142.02 141.26 32.83 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -177.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.455 HD22 ' HG ' ' A' 1636 ' ' LEU . 0.5 OUTLIER -121.03 95.5 4.72 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -178.358 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 16.5 t70 -86.64 105.87 17.2 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 55.1 mttp -77.16 -22.12 53.03 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.526 -175.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -77.81 -46.06 22.66 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -174.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1633 ' ' THR . . . . . 0.436 ' HA ' HD13 ' A' 1604 ' ' LEU . 42.6 p -101.97 6.48 41.25 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 120.937 0.399 . . . . 0.0 111.14 178.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.42 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 60.2 m 57.78 43.68 21.51 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.036 176.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1635 ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' 1607 ' ' LYS . 32.2 m -114.2 122.59 47.25 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.469 -176.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.455 ' HG ' HD22 ' A' 1629 ' ' LEU . 6.3 mp -101.53 128.28 47.85 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.728 179.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -102.42 108.0 19.18 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.889 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -105.95 139.25 40.78 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1639 ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' 1624 ' ' PRO . 21.3 t -119.83 118.65 31.35 Favored 'General case' 0 C--N 1.286 -2.192 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -102.21 142.39 33.53 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1641 ' ' HIS . . . . . 0.509 ' HB2' ' O ' ' A' 1621 ' ' THR . 54.6 m80 -109.21 106.16 15.91 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 -174.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 5.9 t -140.18 145.97 44.03 Favored Pre-proline 0 C--N 1.317 -0.845 0 CA-C-O 121.277 0.56 . . . . 0.0 111.11 -175.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1643 ' ' PRO . . . . . 0.442 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 63.6 Cg_endo -75.08 -7.76 19.38 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.14 2.56 . . . . 0.0 111.924 175.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 82.6 mt -81.89 -10.85 59.17 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 120.915 0.388 . . . . 0.0 111.926 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -90.8 -0.34 57.69 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.983 0.897 . . . . 0.0 109.726 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 76.3 m -90.07 159.4 16.85 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 114.761 -1.108 . . . . 0.0 108.976 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -75.22 78.24 2.34 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 48.4 tp -63.82 104.38 0.68 Allowed 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.612 -177.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.285 -2.198 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 177.341 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 22.1 pttp -164.13 149.79 10.75 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 40.2 m 56.71 35.37 26.08 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.207 1.003 . . . . 0.0 113.018 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1511 ' ' ASN . . . . . 0.413 ' OD1' ' HG3' ' A' 1512 ' ' GLU . 8.7 p30 -101.92 -26.04 13.57 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.01 0.434 . . . . 0.0 110.202 177.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1512 ' ' GLU . . . . . 0.413 ' HG3' ' OD1' ' A' 1511 ' ' ASN . 45.6 mt-10 -97.81 133.7 41.96 Favored 'General case' 0 N--CA 1.424 -1.74 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.534 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 13.3 p80 179.12 128.45 0.07 Allowed 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 125.276 1.43 . . . . 0.0 108.0 -177.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 38.7 t70 53.65 56.3 7.42 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 122.193 0.997 . . . . 0.0 110.005 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -109.0 54.02 0.67 Allowed 'General case' 0 CA--C 1.493 -1.231 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.866 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1516 ' ' CYS . . . . . 0.428 ' HA ' ' HB2' ' A' 1581 ' ' LEU . 54.7 m 66.12 39.58 4.26 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.234 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' 1527 ' ' PHE . 14.3 pt20 -156.33 129.15 7.84 Favored 'General case' 0 N--CA 1.418 -2.068 0 CA-C-N 114.14 -1.391 . . . . 0.0 107.954 176.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 16.2 t -127.16 135.03 64.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -176.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 29.4 m -90.83 116.01 28.33 Favored 'General case' 0 N--CA 1.419 -2.011 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -82.41 111.97 32.64 Favored Pre-proline 0 C--N 1.308 -1.236 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.22 -7.11 20.03 Favored 'Trans proline' 0 C--O 1.24 0.611 0 C-N-CA 122.813 2.342 . . . . 0.0 113.665 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 24.4 t -74.55 -49.24 22.67 Favored 'General case' 0 N--CA 1.433 -1.319 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 38.7 p -108.04 -23.5 11.97 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 92.67 20.68 33.62 Favored Glycine 0 N--CA 1.44 -1.091 0 C-N-CA 121.245 -0.503 . . . . 0.0 111.986 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -101.97 142.95 32.46 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.697 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 51.6 tp -88.98 120.38 30.35 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' 1517 ' ' GLN . 79.7 m-85 -99.33 106.88 19.03 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 177.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -130.09 152.29 49.7 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.444 -172.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 95.6 mt -123.82 28.16 6.99 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.913 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.6 m -68.19 -30.08 69.09 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.082 -177.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 30.1 t -70.11 -23.86 63.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.982 0.42 . . . . 0.0 110.338 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1532 ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' 1552 ' ' ILE . 88.7 mt -98.09 1.38 47.57 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.227 -179.165 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1533 ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' 1552 ' ' ILE . 32.0 t -84.3 142.38 30.25 Favored 'General case' 0 N--CA 1.427 -1.614 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -168.92 140.73 6.32 Favored Glycine 0 N--CA 1.427 -1.92 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.465 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1535 ' ' ARG . . . . . 0.482 ' HB3' ' HG2' ' A' 1557 ' ' GLU . 15.8 mmt180 -65.68 -29.9 70.51 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 123.076 0.551 . . . . 0.0 112.346 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -82.54 -12.65 57.61 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.381 0.61 . . . . 0.0 110.152 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 55.31 -134.17 48.78 Favored Glycine 0 N--CA 1.441 -1.032 0 CA-C-N 114.673 -1.148 . . . . 0.0 112.948 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 84.5 t80 -152.03 136.37 16.75 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 175.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 23.6 m -100.92 108.69 20.51 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -101.42 106.92 18.12 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -93.91 104.06 16.13 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.222 0.534 . . . . 0.0 110.535 -177.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -87.94 117.19 26.63 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . 60.88 23.53 13.58 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 124.28 1.032 . . . . 0.0 110.207 -176.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 69.26 -51.15 0.6 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.951 1.7 . . . . 0.0 112.933 -178.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -60.81 -37.08 93.06 Favored Glycine 0 C--O 1.246 0.905 0 O-C-N 123.373 0.421 . . . . 0.0 113.857 -177.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -93.55 80.61 4.32 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-O 121.708 0.766 . . . . 0.0 110.382 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -78.82 100.1 1.7 Allowed Glycine 0 N--CA 1.434 -1.441 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.812 177.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1548 ' ' VAL . . . . . 0.563 ' HA ' ' O ' ' A' 1566 ' ' CYS . 98.0 t -88.39 107.01 17.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 CA-C-O 121.365 0.603 . . . . 0.0 110.168 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -89.76 104.59 17.14 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 177.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.7 ptp -121.6 142.54 50.01 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.373 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 48.1 t -110.82 132.21 54.39 Favored 'General case' 0 C--N 1.286 -2.181 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 173.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1552 ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' 1533 ' ' SER . 50.4 mm -84.53 109.4 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.789 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 177.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 36.3 t 72.54 92.23 0.08 Allowed 'General case' 0 C--O 1.246 0.872 0 O-C-N 124.3 1.0 . . . . 0.0 111.01 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 119.99 -154.23 16.51 Favored Glycine 0 N--CA 1.428 -1.863 0 C-N-CA 120.216 -0.992 . . . . 0.0 112.314 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -111.02 150.69 28.94 Favored 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 122.924 0.489 . . . . 0.0 110.067 -178.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -99.7 131.78 45.47 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -176.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1557 ' ' GLU . . . . . 0.482 ' HG2' ' HB3' ' A' 1535 ' ' ARG . 18.0 mm-40 -72.08 -13.81 61.68 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 123.199 0.312 . . . . 0.0 111.406 -178.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 10.7 m120 -87.01 -0.76 57.15 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.961 0.886 . . . . 0.0 109.004 176.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 72.3 m -121.12 163.9 27.09 Favored Pre-proline 0 C--N 1.298 -1.671 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.984 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1560 ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' 1561 ' ' PRO . 72.9 Cg_exo -56.45 150.94 48.24 Favored 'Trans proline' 0 CA--C 1.55 1.315 0 C-N-CA 122.546 2.164 . . . . 0.0 110.95 174.019 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1561 ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 33.9 Cg_exo -59.97 114.69 2.19 Favored 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 122.994 2.463 . . . . 0.0 111.869 -176.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 110.19 -12.17 31.36 Favored Glycine 0 N--CA 1.432 -1.581 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.344 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 67.2 t -89.81 130.94 38.29 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -102.09 -26.51 7.4 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.807 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -142.43 129.94 21.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.716 0.293 . . . . 0.0 111.064 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1566 ' ' CYS . . . . . 0.563 ' O ' ' HA ' ' A' 1548 ' ' VAL . 76.0 m -121.43 133.81 55.08 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.074 178.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 90.2 t80 -109.56 139.13 44.95 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 86.61 164.47 39.83 Favored Glycine 0 N--CA 1.425 -2.077 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.221 176.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -73.85 -19.59 60.69 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.3 m -78.52 -6.78 56.41 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.108 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 65.2 48.38 2.2 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 124.004 0.922 . . . . 0.0 111.404 176.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 74.8 mt -73.96 121.08 24.29 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.184 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 10.1 p -63.76 112.08 2.71 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.334 0.587 . . . . 0.0 112.483 -178.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1574 ' ' VAL . . . . . . . . . . . . . 26.9 m -116.98 18.13 7.26 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-O 121.915 0.865 . . . . 0.0 110.07 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . -173.71 122.69 0.92 Allowed Glycine 0 N--CA 1.422 -2.275 0 CA-C-N 114.924 -1.034 . . . . 0.0 111.749 178.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 25.5 tptp -87.45 141.19 28.82 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -60.91 101.85 0.17 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -174.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -125.31 164.51 20.19 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 20.0 pttp -133.06 26.74 4.24 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.77 0.795 . . . . 0.0 110.278 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -77.29 94.67 4.2 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-N 114.539 -1.209 . . . . 0.0 110.6 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.518 HD21 ' HB3' ' A' 1588 ' ' LEU . 3.1 tt -98.34 129.39 45.01 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 177.167 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -128.46 142.99 50.92 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 40.7 p90 -95.53 105.86 17.88 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 176.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 6.8 p -119.89 109.94 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.303 0 CA-C-O 121.307 0.575 . . . . 0.0 111.289 -177.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 60.78 44.3 11.19 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.109 0.964 . . . . 0.0 110.657 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 65.31 17.34 10.96 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 114.727 -1.124 . . . . 0.0 112.025 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 99.8 t -115.58 128.44 72.81 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.614 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.518 ' HB3' HD21 ' A' 1581 ' ' LEU . 75.6 mt -83.34 128.2 34.3 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 177.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -118.65 134.75 54.88 Favored 'General case' 0 C--N 1.286 -2.181 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.049 -175.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 42.8 mt -119.65 131.94 55.57 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 170.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 5.3 p -131.99 123.45 51.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 CA-C-O 121.49 0.662 . . . . 0.0 110.965 -178.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -112.36 105.84 14.22 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 22.5 pttp -108.77 177.16 4.86 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.44 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 36.2 m-20 64.97 52.58 1.53 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.917 1.287 . . . . 0.0 113.225 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -88.11 -123.52 1.98 Allowed Glycine 0 N--CA 1.436 -1.331 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 174.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 24.3 m -80.0 151.41 73.19 Favored Pre-proline 0 C--N 1.293 -1.866 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -75.09 133.62 16.67 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.237 1.958 . . . . 0.0 110.143 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 57.3 m -72.38 123.2 89.19 Favored Pre-proline 0 C--N 1.304 -1.378 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.293 -177.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -66.21 -15.74 49.4 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.543 2.162 . . . . 0.0 112.656 -178.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 2.9 p -77.44 -31.08 53.67 Favored 'General case' 0 N--CA 1.429 -1.52 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.766 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1601 ' ' LYS . . . . . 0.488 ' HB3' HD12 ' A' 1604 ' ' LEU . 23.9 tptm -153.91 112.49 3.64 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -179.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 57.2 m -64.22 130.03 42.28 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.103 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 113.62 -29.55 7.78 Favored Glycine 0 N--CA 1.432 -1.599 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1604 ' ' LEU . . . . . 0.488 HD12 ' HB3' ' A' 1601 ' ' LYS . 82.8 mt -85.41 146.48 26.96 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 9.1 t -134.84 147.18 49.85 Favored 'General case' 0 N--CA 1.412 -2.361 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1606 ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -64.38 135.73 56.43 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.269 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -141.91 143.63 33.39 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.847 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 3.3 p -121.12 135.01 55.26 Favored 'General case' 0 C--N 1.288 -2.067 0 CA-C-O 121.213 0.53 . . . . 0.0 111.693 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 93.3 t -120.95 117.61 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.181 0 CA-C-N 115.496 -0.774 . . . . 0.0 108.951 -178.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 54.9 mt -105.22 115.65 47.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 23.0 t -100.21 104.79 16.32 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 123.643 0.777 . . . . 0.0 109.192 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.514 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 87.8 m-85 -88.25 99.31 12.13 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 21.8 t -91.5 138.26 20.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -177.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1614 ' ' CYS . . . . . 0.648 ' HA ' ' O ' ' A' 1642 ' ' THR . 46.8 t -76.55 133.27 39.76 Favored 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.519 -176.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -150.3 100.08 3.2 Favored Pre-proline 0 N--CA 1.427 -1.591 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 175.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -59.48 -32.97 97.21 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 123.278 2.652 . . . . 0.0 111.467 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -83.45 41.58 0.78 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.929 0.871 . . . . 0.0 110.922 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -72.66 157.37 37.67 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.841 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -162.55 -120.38 0.53 Allowed Glycine 0 C--N 1.284 -2.347 0 N-CA-C 107.329 -2.308 . . . . 0.0 107.329 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.8 1.99 3.96 Favored 'Trans proline' 0 CA--C 1.55 1.303 0 CA-C-N 120.44 2.12 . . . . 0.0 111.86 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -16.51 64.19 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 126.188 1.795 . . . . 0.0 112.761 -178.336 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 9.4 p30 -82.66 62.59 6.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 122.98 1.371 . . . . 0.0 110.613 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -137.88 143.72 41.13 Favored Pre-proline 0 C--N 1.297 -1.716 0 CA-C-N 114.174 -1.375 . . . . 0.0 107.889 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -78.01 122.09 5.64 Favored 'Trans proline' 0 N--CA 1.445 -1.372 0 C-N-CA 121.344 1.363 . . . . 0.0 110.233 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 87.2 mtp -121.4 136.18 54.99 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.2 tt -81.42 111.31 17.65 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 -178.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.2 mm -93.84 -39.36 10.58 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.985 -175.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 74.0 m -148.63 134.41 18.91 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 121.07 0.462 . . . . 0.0 111.51 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 1.5 tm? -106.66 120.03 40.88 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -117.87 103.66 10.18 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -84.04 -10.12 58.11 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -177.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -72.26 -48.09 45.24 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.5 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 24.8 p -99.8 -0.96 38.79 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 121.435 0.635 . . . . 0.0 110.511 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 86.4 m 60.8 42.06 13.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 114.079 -1.419 . . . . 0.0 110.276 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 19.0 m -105.3 122.29 45.65 Favored 'General case' 0 N--CA 1.427 -1.575 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.282 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.2 mp -100.31 116.35 32.08 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 175.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -92.53 107.91 19.57 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.838 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -107.36 143.61 35.42 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 16.3 t -124.99 144.64 50.28 Favored 'General case' 0 N--CA 1.416 -2.137 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 177.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -131.98 141.69 49.36 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 69.3 m80 -110.4 113.95 27.0 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 120.38 -0.528 . . . . 0.0 109.675 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1642 ' ' THR . . . . . 0.648 ' O ' ' HA ' ' A' 1614 ' ' CYS . 10.0 t -139.93 139.68 22.23 Favored Pre-proline 0 C--N 1.31 -1.135 0 CA-C-O 121.159 0.504 . . . . 0.0 110.193 -176.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -74.61 -8.7 20.76 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.729 2.286 . . . . 0.0 111.713 176.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.94 -15.5 62.6 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.015 0.526 . . . . 0.0 111.065 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -76.9 -7.82 56.23 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 122.053 0.93 . . . . 0.0 109.987 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 84.9 m -117.95 161.27 20.06 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 173.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -82.37 74.19 9.36 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 122.265 1.031 . . . . 0.0 110.212 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 58.7 tp -141.03 107.75 5.36 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 113.717 -1.583 . . . . 0.0 108.49 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.698 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 179.844 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 99.2 mttt -80.41 -44.09 19.92 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.291 0.567 . . . . 0.0 109.605 176.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 40.6 t -136.21 128.95 30.86 Favored 'General case' 0 N--CA 1.424 -1.747 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -89.57 -10.36 46.37 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -84.15 126.38 33.05 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 176.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 72.1 m80 -111.41 80.65 1.34 Allowed 'General case' 0 C--N 1.288 -2.086 0 CA-C-O 121.12 0.486 . . . . 0.0 111.232 -176.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -131.43 11.62 4.92 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 173.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1515 ' ' ASP . . . . . 0.573 ' HA ' ' O ' ' A' 1579 ' ' LYS . 9.5 p-10 -80.76 54.61 2.18 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 125.865 1.666 . . . . 0.0 112.108 -175.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1516 ' ' CYS . . . . . 0.437 ' HA ' ' HB2' ' A' 1581 ' ' LEU . 78.2 m 78.37 24.93 0.6 Allowed 'General case' 0 CA--C 1.502 -0.888 0 CA-C-N 114.572 -1.194 . . . . 0.0 112.148 -178.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.643 ' HA ' ' O ' ' A' 1527 ' ' PHE . 17.5 pt20 -143.33 128.96 19.2 Favored 'General case' 0 N--CA 1.419 -2.025 0 CA-C-N 113.275 -1.784 . . . . 0.0 107.178 172.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 71.3 t -136.09 124.17 36.04 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 6.9 m -96.14 114.24 25.92 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -90.77 115.38 64.12 Favored Pre-proline 0 C--N 1.304 -1.382 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -72.51 -17.59 26.58 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 122.8 2.334 . . . . 0.0 113.865 -173.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 16.5 m -79.99 -36.47 35.97 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.256 -177.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 17.5 p -104.86 -15.69 15.1 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.127 0.489 . . . . 0.0 112.064 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 73.46 20.13 79.8 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 -177.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -101.2 132.44 46.7 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.657 -173.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 69.3 tp -96.53 121.59 38.51 Favored 'General case' 0 N--CA 1.419 -1.983 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.643 ' O ' ' HA ' ' A' 1517 ' ' GLN . 96.4 m-85 -85.98 106.33 17.08 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.05 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.13 135.06 47.19 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 123.688 0.617 . . . . 0.0 110.026 175.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 74.1 mt -115.79 15.81 16.36 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 167.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 14.2 m -63.27 -30.48 71.62 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 113.942 -1.481 . . . . 0.0 112.052 -176.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 18.4 m -86.81 -1.37 57.72 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.376 0.608 . . . . 0.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 74.9 mt -116.88 7.48 13.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.769 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 23.0 t -91.97 135.46 33.93 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.156 -177.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -159.36 141.72 7.75 Favored Glycine 0 N--CA 1.426 -2.005 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1535 ' ' ARG . . . . . 0.548 ' O ' ' HA ' ' A' 1556 ' ' ASN . 22.9 mtm180 -83.57 -15.19 50.11 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -87.47 -35.23 18.36 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 172.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 71.01 -156.69 53.33 Favored Glycine 0 N--CA 1.429 -1.829 0 CA-C-N 113.901 -1.5 . . . . 0.0 113.408 173.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -117.33 135.76 53.62 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 19.6 m -102.82 107.09 17.82 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -88.61 138.09 31.73 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -86.64 117.36 25.35 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.394 -176.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1542 ' ' TYR . . . . . 0.413 ' HB3' ' HB2' ' A' 1546 ' ' TRP . 89.2 t80 -98.52 100.68 11.95 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 176.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . 67.39 -78.51 0.04 OUTLIER 'General case' 0 C--O 1.246 0.91 0 C-N-CA 124.841 1.256 . . . . 0.0 110.197 -176.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1544 ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' 1544 ' ' LYS . 15.5 tptm 178.98 125.63 0.06 Allowed 'General case' 0 N--CA 1.44 -0.925 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 173.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 109.94 -44.59 1.47 Allowed Glycine 0 C--N 1.301 -1.393 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1546 ' ' TRP . . . . . 0.413 ' HB2' ' HB3' ' A' 1542 ' ' TYR . 23.3 m-90 -86.77 107.34 18.22 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -100.39 126.55 8.96 Favored Glycine 0 N--CA 1.42 -2.375 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 42.0 t -96.7 105.25 16.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.841 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -82.05 107.41 14.73 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 23.8 ptp -112.23 111.35 22.18 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-O 121.204 0.526 . . . . 0.0 110.453 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 39.3 t -89.94 111.92 23.14 Favored 'General case' 0 N--CA 1.425 -1.679 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 175.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 65.6 mt -81.61 112.55 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.739 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.726 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 73.1 m 71.61 24.15 3.61 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.935 1.294 . . . . 0.0 113.951 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . -154.93 -174.32 24.73 Favored Glycine 0 N--CA 1.426 -1.996 0 C-N-CA 119.704 -1.236 . . . . 0.0 112.368 -178.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -101.89 123.83 46.49 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 123.435 0.694 . . . . 0.0 109.991 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.548 ' HA ' ' O ' ' A' 1535 ' ' ARG . 40.1 t30 -66.32 125.15 24.7 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.432 0.634 . . . . 0.0 111.836 -176.137 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -77.06 -14.53 59.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.371 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -91.58 9.74 30.9 Favored 'General case' 0 C--O 1.246 0.919 0 CA-C-O 121.707 0.765 . . . . 0.0 110.922 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 94.9 m -144.39 174.0 3.9 Favored Pre-proline 0 C--N 1.305 -1.355 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1560 ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' 1561 ' ' PRO . 71.0 Cg_exo -57.65 133.67 58.03 Favored 'Trans proline' 0 C--O 1.249 1.043 0 C-N-CA 121.546 1.497 . . . . 0.0 111.11 173.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1561 ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 32.2 Cg_exo -59.79 104.84 0.24 Allowed 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.851 2.367 . . . . 0.0 111.052 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 149.24 -25.62 1.25 Allowed Glycine 0 C--N 1.298 -1.529 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 -177.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 60.7 t -87.56 133.93 29.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 175.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -101.23 -32.41 5.25 Favored Glycine 0 CA--C 1.501 -0.824 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.873 -177.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -134.43 135.95 42.91 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 30.3 m -124.2 133.57 53.51 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 81.1 t80 -105.47 112.75 25.96 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 90.28 162.67 38.48 Favored Glycine 0 N--CA 1.431 -1.689 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -74.46 -6.7 49.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.537 0.684 . . . . 0.0 110.653 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.46 0.65 28.61 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.014 178.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 64.6 29.21 13.16 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 124.357 1.063 . . . . 0.0 110.72 173.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 64.0 mt -73.41 125.35 32.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.025 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 6.0 p -65.44 122.54 17.42 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -176.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.583 HG23 ' HB3' ' A' 1606 ' ' TYR . 14.3 p -122.43 29.77 2.48 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-O 123.291 1.519 . . . . 0.0 107.683 176.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 152.79 135.19 2.15 Favored Glycine 0 N--CA 1.423 -2.184 0 CA-C-N 113.886 -1.507 . . . . 0.0 112.776 177.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 22.7 tptm -75.89 158.06 32.52 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -70.15 76.45 0.51 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.217 0.532 . . . . 0.0 110.848 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 14.8 m120 -86.74 145.17 26.76 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.688 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1579 ' ' LYS . . . . . 0.573 ' O ' ' HA ' ' A' 1515 ' ' ASP . 27.7 mtpp -128.07 30.06 5.3 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -176.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -90.65 100.7 13.5 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.575 HD11 ' HB3' ' A' 1588 ' ' LEU . 55.7 tp -91.32 127.26 36.68 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 53.3 mtp85 -120.15 138.98 53.28 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.424 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 65.1 t80 -121.79 111.01 16.61 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 15.9 m -139.67 142.26 33.01 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 23.1 t70 42.9 48.75 5.08 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 124.746 1.218 . . . . 0.0 113.054 175.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 57.22 37.09 28.15 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 6.4 p -143.05 134.15 23.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 CA-C-O 121.099 0.476 . . . . 0.0 110.209 174.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.575 ' HB3' HD11 ' A' 1581 ' ' LEU . 80.0 mt -92.74 124.88 37.07 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 175.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -114.11 125.26 53.76 Favored 'General case' 0 C--N 1.284 -2.28 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.051 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 46.5 mt -114.63 124.05 50.86 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 173.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 13.4 p -111.61 133.06 58.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -118.41 93.7 4.21 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 176.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 21.9 pttp -106.04 167.69 9.63 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.458 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 30.0 t70 68.76 112.43 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.885 1.274 . . . . 0.0 111.439 -174.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -159.15 -142.92 3.52 Favored Glycine 0 N--CA 1.428 -1.84 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 22.1 t -72.43 138.94 81.02 Favored Pre-proline 0 C--N 1.3 -1.571 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 177.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 157.95 58.56 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.684 2.256 . . . . 0.0 111.895 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1598 ' ' CYS . . . . . 0.561 ' H ' ' HB2' ' A' 1604 ' ' LEU . 62.3 m -119.18 153.4 53.19 Favored Pre-proline 0 C--N 1.298 -1.631 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -177.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -79.6 3.02 7.89 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.739 2.293 . . . . 0.0 111.559 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 10.3 m -70.41 -8.51 51.41 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.02 1.328 . . . . 0.0 112.2 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 46.2 mmtm 71.51 -61.98 0.47 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 125.111 1.364 . . . . 0.0 112.727 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 32.9 m -93.46 128.6 39.62 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 71.58 46.73 38.05 Favored Glycine 0 CA--C 1.499 -0.932 0 C-N-CA 120.436 -0.888 . . . . 0.0 111.009 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1604 ' ' LEU . . . . . 0.561 ' HB2' ' H ' ' A' 1598 ' ' CYS . 0.6 OUTLIER -87.44 86.3 7.22 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-O 122.333 1.063 . . . . 0.0 112.789 -176.814 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 30.9 m -167.41 119.85 0.92 Allowed 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.819 178.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.583 ' HB3' HG23 ' A' 1574 ' ' VAL . 44.9 m-85 -67.18 116.69 8.26 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 171.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -137.17 156.04 48.82 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.745 -175.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 19.6 m -125.07 140.32 53.0 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.629 -176.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 88.9 t -124.33 113.44 36.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 175.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 54.9 mt -102.97 116.41 46.66 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 11.1 t -104.44 107.51 18.48 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.532 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 86.0 m-85 -92.87 99.48 12.13 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 66.4 t -86.02 134.01 28.3 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.329 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.897 -175.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1614 ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' 1645 ' ' ALA . 17.1 t -56.74 119.4 6.11 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.286 0.991 . . . . 0.0 111.103 177.148 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1615 ' ' ARG . . . . . 0.413 ' HD2' ' HA ' ' A' 1615 ' ' ARG . 25.8 tpt180 -140.48 94.23 8.5 Favored Pre-proline 0 N--CA 1.428 -1.537 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -69.1 -16.16 40.11 Favored 'Trans proline' 0 N--CA 1.483 0.885 0 C-N-CA 123.12 2.546 . . . . 0.0 112.345 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -110.7 40.82 1.92 Allowed 'General case' 0 C--N 1.306 -1.299 0 CA-C-O 121.563 0.697 . . . . 0.0 109.685 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1618 ' ' ALA . . . . . 0.404 ' HB1' ' OD1' ' A' 1622 ' ' ASN . . . -71.04 169.47 14.88 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.107 -0.951 . . . . 0.0 112.765 -176.474 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 172.0 -112.35 0.44 Allowed Glycine 0 C--N 1.301 -1.364 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -76.78 39.18 0.68 Allowed 'Trans proline' 0 CA--C 1.556 1.597 0 C-N-CA 122.153 1.902 . . . . 0.0 111.556 173.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 23.7 p -121.28 0.86 10.16 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 124.479 1.112 . . . . 0.0 109.606 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1622 ' ' ASN . . . . . 0.404 ' OD1' ' HB1' ' A' 1618 ' ' ALA . 1.8 m-20 -101.2 52.59 0.84 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.083 -170.172 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -130.41 134.34 25.95 Favored Pre-proline 0 C--N 1.292 -1.931 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -69.06 121.54 8.38 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 121.219 1.279 . . . . 0.0 110.171 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 76.4 mtm -123.28 140.25 53.21 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.898 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.5 tt -84.51 117.34 23.62 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -177.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.0 mm -90.37 -53.55 8.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 CA-C-O 121.021 0.438 . . . . 0.0 110.635 -177.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 37.6 m -137.59 131.84 32.21 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.359 -176.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1629 ' ' LEU . . . . . 0.435 HD22 ' HG ' ' A' 1636 ' ' LEU . 0.8 OUTLIER -105.95 104.45 14.17 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 179.69 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 30.3 t70 -102.36 110.79 22.85 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.339 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -85.53 -1.44 57.09 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -72.75 -53.29 12.02 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 178.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 11.1 p -112.76 14.56 19.95 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.471 0.653 . . . . 0.0 110.601 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 76.3 m 50.93 45.59 27.38 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 114.083 -1.417 . . . . 0.0 111.849 177.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 21.4 m -106.54 120.15 41.18 Favored 'General case' 0 N--CA 1.413 -2.287 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.987 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1636 ' ' LEU . . . . . 0.435 ' HG ' HD22 ' A' 1629 ' ' LEU . 5.4 mp -98.35 118.04 34.11 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 176.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -93.2 112.37 24.29 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.779 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.07 144.51 38.55 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 21.3 t -125.75 146.62 49.69 Favored 'General case' 0 N--CA 1.417 -2.118 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -136.06 144.14 45.05 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -112.41 115.13 28.22 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 8.8 t -140.19 142.03 28.54 Favored Pre-proline 0 N--CA 1.432 -1.349 0 CA-C-O 121.097 0.475 . . . . 0.0 110.158 -176.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -75.59 -6.82 18.09 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.944 2.429 . . . . 0.0 110.843 175.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.3 mt -78.68 -8.05 58.31 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.005 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1645 ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' 1614 ' ' CYS . . . -104.79 25.8 9.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.448 0.642 . . . . 0.0 109.854 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 83.7 m -113.93 133.07 55.7 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.357 -176.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -75.92 75.03 2.84 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 122.405 1.098 . . . . 0.0 110.057 175.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 81.9 mt -97.59 135.11 39.88 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.289 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.845 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 178.445 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 CA--C 1.504 -0.809 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -147.47 -75.32 0.19 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 175.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 23.3 m -132.43 88.77 2.57 Favored 'General case' 0 N--CA 1.421 -1.915 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -79.43 -13.27 59.7 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.541 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -77.02 142.18 40.01 Favored 'General case' 0 N--CA 1.422 -1.858 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.815 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -73.61 109.82 7.41 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 114.474 -1.239 . . . . 0.0 110.601 -177.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -70.88 95.77 1.19 Allowed 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 172.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -63.41 -66.56 0.52 Allowed 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 114.027 -1.442 . . . . 0.0 109.391 -174.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1516 ' ' CYS . . . . . 0.702 ' SG ' ' HB2' ' A' 1529 ' ' LEU . 7.9 t 53.42 54.59 9.89 Favored 'General case' 0 C--O 1.25 1.1 0 O-C-N 124.29 0.993 . . . . 0.0 110.616 174.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.585 ' HB2' HD11 ' A' 1526 ' ' LEU . 10.2 pt20 -163.28 138.14 6.37 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.268 -176.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 59.8 t -122.88 127.17 74.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 28.7 m -98.26 111.76 23.98 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 176.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 47.4 t30 -83.95 109.39 18.46 Favored Pre-proline 0 C--N 1.311 -1.087 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.36 -14.77 40.96 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.452 2.768 . . . . 0.0 115.2 -169.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 13.7 p -76.19 -41.09 50.69 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-O 121.19 0.519 . . . . 0.0 111.046 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 30.7 p -103.25 -18.5 14.86 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 121.203 0.525 . . . . 0.0 111.69 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 79.84 17.61 74.61 Favored Glycine 0 N--CA 1.442 -0.947 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.405 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 32.7 m170 -97.43 136.29 38.09 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.077 0.465 . . . . 0.0 112.103 -175.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1526 ' ' LEU . . . . . 0.585 HD11 ' HB2' ' A' 1517 ' ' GLN . 52.7 tp -96.53 121.13 38.01 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.785 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -102.07 106.89 17.84 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -124.07 147.91 47.5 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.115 -174.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1529 ' ' LEU . . . . . 0.702 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 97.2 mt -118.31 29.21 7.9 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.666 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.5 m -52.7 -35.48 55.67 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 124.498 1.119 . . . . 0.0 112.58 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 19.6 m -69.19 -17.42 63.8 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 120.924 0.393 . . . . 0.0 111.893 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 73.2 mt -110.18 -17.39 13.55 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.816 0.341 . . . . 0.0 110.399 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 23.0 t -69.19 117.07 10.37 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.778 -176.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -173.64 154.44 19.93 Favored Glycine 0 N--CA 1.42 -2.425 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1535 ' ' ARG . . . . . 0.538 ' O ' ' HA ' ' A' 1556 ' ' ASN . 51.6 mtp180 -71.62 -22.65 61.68 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 122.824 0.45 . . . . 0.0 111.813 -176.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -77.03 -24.17 52.08 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.044 0.449 . . . . 0.0 110.162 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1537 ' ' GLY . . . . . 0.592 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 54.92 -110.66 1.79 Allowed Glycine 0 CA--C 1.493 -1.319 0 CA-C-N 114.602 -1.181 . . . . 0.0 112.898 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 41.9 t80 -152.42 140.1 19.85 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 29.4 m -111.09 114.11 27.14 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -129.03 130.98 47.3 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.704 -177.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -102.68 134.94 45.23 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -133.2 169.98 16.1 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -59.75 128.05 35.0 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.681 178.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 11.0 mptt 64.89 18.96 11.71 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.705 1.202 . . . . 0.0 111.941 -178.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -162.8 63.61 0.26 Allowed Glycine 0 CA--C 1.483 -1.92 0 N-CA-C 108.75 -1.74 . . . . 0.0 108.75 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 75.4 m95 -79.9 68.06 5.89 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 114.984 -0.608 . . . . 0.0 111.222 -174.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . 146.94 89.91 0.09 OUTLIER Glycine 0 N--CA 1.425 -2.063 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 174.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 48.1 t -113.12 114.07 45.86 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.972 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1549 ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' 1565 ' ' ALA . 89.1 m-85 -103.45 104.36 14.43 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.913 -1.144 . . . . 0.0 107.913 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1550 ' ' MET . . . . . 0.592 ' O ' ' HA3' ' A' 1537 ' ' GLY . 23.1 ptp -113.85 141.5 47.25 Favored 'General case' 0 C--N 1.29 -1.999 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1551 ' ' SER . . . . . 0.434 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 20.2 t -97.94 161.27 13.81 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 175.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 49.4 mm -119.26 103.59 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.681 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 76.3 m 70.21 37.63 1.6 Allowed 'General case' 0 C--N 1.317 -0.824 0 O-C-N 124.842 1.339 . . . . 0.0 112.95 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . -178.37 -150.32 8.65 Favored Glycine 0 N--CA 1.431 -1.684 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.315 176.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1555 ' ' GLU . . . . . 0.413 ' HB3' ' HB2' ' A' 1577 ' ' ALA . 0.0 OUTLIER -104.59 152.74 22.06 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 122.76 0.424 . . . . 0.0 110.033 175.839 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1556 ' ' ASN . . . . . 0.538 ' HA ' ' O ' ' A' 1535 ' ' ARG . 25.9 t-20 -91.36 129.07 37.4 Favored 'General case' 0 C--N 1.306 -1.295 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.016 -176.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -75.0 -10.57 59.6 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -175.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 17.3 m120 -91.48 -10.94 39.0 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 175.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 74.0 m -102.38 165.87 13.04 Favored Pre-proline 0 C--N 1.303 -1.432 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.145 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -60.21 140.87 94.34 Favored 'Trans proline' 0 CA--C 1.546 1.087 0 C-N-CA 122.201 1.934 . . . . 0.0 110.521 171.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -56.62 104.5 0.14 Allowed 'Trans proline' 0 N--CA 1.478 0.605 0 C-N-CA 123.654 2.902 . . . . 0.0 112.974 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 131.96 -22.2 4.31 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 90.9 t -87.79 130.33 37.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -90.05 -27.14 22.09 Favored Glycine 0 N--CA 1.438 -1.218 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.751 -177.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1565 ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' 1549 ' ' TYR . . . -153.71 138.38 16.96 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 120.758 0.313 . . . . 0.0 110.908 -179.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 86.0 m -121.4 138.32 54.32 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 122.954 0.502 . . . . 0.0 110.157 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 88.2 t80 -112.37 113.45 25.65 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 95.94 167.62 34.71 Favored Glycine 0 C--N 1.31 -0.879 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.936 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -78.67 -7.48 57.71 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 11.7 m -89.06 -3.75 58.58 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 173.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 59.55 45.91 12.75 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 125.957 1.703 . . . . 0.0 113.038 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 95.5 mt -60.43 114.76 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 174.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 34.6 p -64.71 122.64 17.34 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.015 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.49 HG23 ' HB3' ' A' 1606 ' ' TYR . 14.9 p -109.51 27.37 2.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 CA-C-O 122.559 1.171 . . . . 0.0 108.762 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 151.4 150.55 5.36 Favored Glycine 0 N--CA 1.43 -1.723 0 CA-C-N 114.732 -1.122 . . . . 0.0 114.354 173.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.5 ' HE2' ' O ' ' A' 1594 ' ' ASP . 75.4 mmtt -81.79 154.53 25.89 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1577 ' ' ALA . . . . . 0.413 ' HB2' ' HB3' ' A' 1555 ' ' GLU . . . -66.97 147.48 53.17 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.605 -177.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 9.1 p30 -161.28 150.34 16.34 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 22.1 pttp -128.96 10.58 5.94 Favored 'General case' 0 C--N 1.312 -1.025 0 O-C-N 123.953 0.783 . . . . 0.0 111.043 -175.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -100.14 115.78 30.62 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-O 121.298 0.571 . . . . 0.0 111.343 -178.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' 1588 ' ' LEU . 79.0 mt -82.2 138.6 34.63 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 115.03 -0.987 . . . . 0.0 109.506 176.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -107.62 112.83 25.74 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 175.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 24.2 t80 -92.68 100.18 12.73 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1584 ' ' VAL . . . . . 0.418 ' O ' HG22 ' A' 1587 ' ' VAL . 14.8 m -133.31 135.37 56.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.202 -177.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 56.45 34.64 24.61 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.439 0.696 . . . . 0.0 112.479 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 25.8 mp0 60.78 30.65 19.81 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 115.29 -0.868 . . . . 0.0 113.245 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1587 ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' 1584 ' ' VAL . 22.2 m -135.04 152.2 32.24 Favored 'Isoleucine or valine' 0 C--O 1.244 0.806 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 173.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.51 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 79.3 mt -98.0 122.54 41.25 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -108.22 124.05 49.69 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.987 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1590 ' ' LEU . . . . . 0.434 ' HG ' HD23 ' A' 1581 ' ' LEU . 53.9 mt -115.91 123.48 48.2 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 170.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.5 p -121.06 107.2 19.89 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 CA-C-O 122.193 0.997 . . . . 0.0 111.126 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -89.85 96.86 10.88 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 58.5 pttt -115.03 179.41 3.96 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 -175.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1594 ' ' ASP . . . . . 0.5 ' O ' ' HE2' ' A' 1576 ' ' LYS . 62.6 m-20 62.6 43.04 7.9 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.126 1.37 . . . . 0.0 110.97 178.168 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -83.07 -118.93 0.63 Allowed Glycine 0 N--CA 1.437 -1.297 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.128 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 32.1 t -86.06 132.98 41.99 Favored Pre-proline 0 C--N 1.3 -1.562 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -63.17 120.93 8.58 Favored 'Trans proline' 0 C--O 1.254 1.275 0 C-N-CA 122.867 2.378 . . . . 0.0 110.707 175.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 61.2 m -65.09 117.07 35.86 Favored Pre-proline 0 C--N 1.312 -1.022 0 C-N-CA 123.716 0.806 . . . . 0.0 111.116 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -59.22 -35.12 98.07 Favored 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 123.399 2.732 . . . . 0.0 112.938 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 23.3 t -89.36 -44.88 9.89 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -92.84 66.92 4.36 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.283 0.563 . . . . 0.0 109.831 -179.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 34.9 m -59.74 112.78 1.95 Allowed 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.495 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 123.13 -7.53 9.22 Favored Glycine 0 N--CA 1.427 -1.964 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -178.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 96.4 mt -123.06 158.97 29.42 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-O 121.236 0.541 . . . . 0.0 110.021 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 11.7 p -128.12 145.56 50.97 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.164 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.49 ' HB3' HG23 ' A' 1574 ' ' VAL . 84.3 m-85 -63.73 128.19 34.72 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.111 178.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -136.89 145.22 44.09 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.126 -177.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 6.8 p -119.23 131.36 55.8 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.521 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 62.0 t -113.05 111.55 36.61 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 58.9 mt -102.4 112.2 34.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 15.4 m -105.75 116.63 32.28 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.034 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.51 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 80.7 m-85 -90.42 107.51 19.2 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1613 ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' 1641 ' ' HIS . 22.3 t -102.08 136.56 33.62 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1614 ' ' CYS . . . . . 0.633 ' HA ' ' O ' ' A' 1642 ' ' THR . 34.5 m -68.32 124.85 24.63 Favored 'General case' 0 C--N 1.31 -1.124 0 C-N-CA 122.998 0.519 . . . . 0.0 112.005 -175.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -140.3 108.33 6.76 Favored Pre-proline 0 C--N 1.315 -0.9 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.448 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -66.63 -20.35 53.32 Favored 'Trans proline' 0 N--CA 1.489 1.246 0 C-N-CA 123.095 2.53 . . . . 0.0 111.527 178.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -80.35 42.13 0.57 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.009 1.324 . . . . 0.0 110.519 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -55.47 121.62 9.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 124.427 1.091 . . . . 0.0 112.249 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -174.73 -114.68 0.37 Allowed Glycine 0 C--N 1.301 -1.406 0 N-CA-C 108.634 -1.786 . . . . 0.0 108.634 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1620 ' ' PRO . . . . . 0.448 ' O ' ' HG2' ' A' 1623 ' ' ARG . 21.1 Cg_exo -67.84 -10.92 30.37 Favored 'Trans proline' 0 N--CA 1.483 0.866 0 C-N-CA 122.533 2.155 . . . . 0.0 110.36 174.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 12.5 p -74.07 -21.69 59.82 Favored 'General case' 0 N--CA 1.427 -1.615 0 C-N-CA 125.127 1.371 . . . . 0.0 111.254 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 63.7 t30 -85.19 54.05 2.97 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 122.101 0.953 . . . . 0.0 110.628 -175.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1623 ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' 1620 ' ' PRO . 9.7 ptm180 -155.43 164.23 21.91 Favored Pre-proline 0 C--N 1.305 -1.329 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 176.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1624 ' ' PRO . . . . . 0.554 ' HA ' ' O ' ' A' 1639 ' ' SER . 72.2 Cg_endo -89.65 143.96 4.47 Favored 'Trans proline' 0 N--CA 1.431 -2.158 0 C-N-CA 121.483 1.455 . . . . 0.0 111.283 177.086 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 19.8 mmt -119.96 153.3 36.15 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 173.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.6 tt -90.88 102.35 15.11 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 -178.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.0 mm -80.15 -51.91 15.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.613 -174.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 19.6 m -137.26 127.01 25.46 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 120.479 -0.489 . . . . 0.0 110.197 -177.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.62 102.99 14.65 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 105.504 -2.036 . . . . 0.0 105.504 176.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 14.4 t70 -109.73 100.99 9.92 Favored 'General case' 0 C--N 1.291 -1.941 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.218 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -84.11 -7.31 59.41 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -72.06 -46.49 56.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.302 0.572 . . . . 0.0 110.438 -178.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 37.5 p -106.59 8.15 31.1 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.712 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1634 ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 71.4 m 57.49 40.48 27.09 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.964 -179.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 25.4 m -121.63 122.29 39.28 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-O 121.122 0.487 . . . . 0.0 110.417 -175.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.39 122.17 43.75 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -95.49 119.23 33.63 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.084 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -116.89 143.32 45.83 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1639 ' ' SER . . . . . 0.554 ' O ' ' HA ' ' A' 1624 ' ' PRO . 10.0 t -126.23 133.0 51.61 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -119.15 135.36 54.7 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1641 ' ' HIS . . . . . 0.429 ' HA ' ' O ' ' A' 1613 ' ' VAL . 88.4 m-70 -112.03 101.54 9.82 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 119.331 -0.948 . . . . 0.0 111.479 -177.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1642 ' ' THR . . . . . 0.633 ' O ' ' HA ' ' A' 1614 ' ' CYS . 4.9 t -126.53 137.9 31.33 Favored Pre-proline 0 C--N 1.312 -1.055 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.575 -177.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.71 -10.63 18.51 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.765 2.31 . . . . 0.0 112.322 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.31 -13.19 60.16 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -176.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -77.93 -10.01 59.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.458 0.647 . . . . 0.0 111.265 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 97.3 m -132.16 158.72 40.95 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -78.28 75.95 4.8 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.896 0.855 . . . . 0.0 109.623 177.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 57.8 tp -77.21 92.95 3.88 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.841 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.419 -1.993 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.254 177.521 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.467 0.4 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -70.83 -67.64 0.49 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.945 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 21.7 t -123.11 77.4 1.46 Allowed 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1511 ' ' ASN . . . . . 0.408 ' ND2' ' HG2' ' A' 1512 ' ' GLU . 4.9 p-10 -114.13 -34.67 5.28 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.58 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1512 ' ' GLU . . . . . 0.408 ' HG2' ' ND2' ' A' 1511 ' ' ASN . 21.2 mm-40 -91.61 81.16 5.32 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 5.9 t60 -96.01 68.06 2.7 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 -177.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 46.0 m-20 61.15 52.58 3.91 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -177.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 9.6 t70 -61.98 55.77 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 128.079 2.552 . . . . 0.0 115.384 -169.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1516 ' ' CYS . . . . . 0.442 ' HA ' ' HB2' ' A' 1581 ' ' LEU . 52.0 m 64.66 31.7 11.87 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 124.53 1.132 . . . . 0.0 111.899 175.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1517 ' ' GLN . . . . . 0.469 ' HB2' HD11 ' A' 1526 ' ' LEU . 18.2 pt20 -138.82 129.55 26.25 Favored 'General case' 0 N--CA 1.419 -1.995 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.551 178.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 60.9 t -125.42 127.07 71.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -178.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 10.7 m -99.49 111.64 23.97 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -100.75 116.1 64.56 Favored Pre-proline 0 C--N 1.317 -0.821 0 C-N-CA 120.681 -0.408 . . . . 0.0 109.925 178.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.96 -21.95 52.35 Favored 'Trans proline' 0 N--CA 1.484 0.952 0 C-N-CA 123.825 3.017 . . . . 0.0 113.344 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 13.3 m -64.65 -41.11 96.35 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-O 121.24 0.543 . . . . 0.0 111.014 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 1.7 p -104.29 -28.54 11.34 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.124 0.488 . . . . 0.0 112.142 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 79.83 14.07 81.42 Favored Glycine 0 N--CA 1.442 -0.966 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 6.0 t60 -107.97 139.04 43.18 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -175.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1526 ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' 1517 ' ' GLN . 64.7 tp -87.6 110.33 20.3 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 177.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1527 ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' 1517 ' ' GLN . 78.0 m-85 -93.52 114.33 26.67 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.2 p30 -122.51 162.59 21.48 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.769 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 97.6 mt -121.09 28.2 8.0 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.522 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 79.9 p -61.37 -31.96 71.86 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -175.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 15.9 m -65.76 -24.1 66.87 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.041 0.448 . . . . 0.0 111.302 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 73.0 mt -103.12 6.92 38.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.121 0.486 . . . . 0.0 110.329 -176.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 19.3 m -87.91 97.22 10.82 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-O 121.399 0.619 . . . . 0.0 111.45 -176.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -111.28 146.29 17.74 Favored Glycine 0 C--N 1.3 -1.429 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -74.86 -31.91 61.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 117.832 0.816 . . . . 0.0 111.675 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -92.35 -14.98 27.93 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 121.616 0.722 . . . . 0.0 109.212 174.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1537 ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' 1551 ' ' SER . . . 68.14 -136.19 30.4 Favored Glycine 0 N--CA 1.427 -1.916 0 CA-C-N 114.805 -1.089 . . . . 0.0 112.642 177.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -130.54 135.94 48.43 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 4.6 m -109.88 107.81 17.89 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -110.42 139.59 45.48 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.732 -177.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -110.16 111.05 22.15 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -103.14 170.13 8.14 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 119.461 -0.304 . . . . 0.0 110.184 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -65.33 -36.28 83.55 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.793 0.806 . . . . 0.0 110.076 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -93.9 27.49 2.74 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.572 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 159.4 90.2 0.08 OUTLIER Glycine 0 N--CA 1.437 -1.269 0 C-N-CA 120.324 -0.941 . . . . 0.0 111.932 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 24.5 m-90 -80.16 68.71 6.39 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.286 0.565 . . . . 0.0 111.113 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . 147.9 90.49 0.09 OUTLIER Glycine 0 N--CA 1.427 -1.951 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 177.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 54.9 t -122.73 112.68 35.14 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.931 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1549 ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' 1565 ' ' ALA . 52.1 m-85 -93.32 104.13 16.32 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 -178.056 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.3 ptp -120.59 121.93 39.45 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.445 -178.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1551 ' ' SER . . . . . 0.47 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 31.6 t -96.98 114.17 25.77 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 175.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 50.2 mm -79.28 112.07 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 31.4 t 72.33 52.32 0.18 Allowed 'General case' 0 C--N 1.316 -0.857 0 O-C-N 124.32 1.012 . . . . 0.0 111.897 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 163.31 -171.62 39.07 Favored Glycine 0 N--CA 1.426 -2.008 0 C-N-CA 119.648 -1.263 . . . . 0.0 111.617 176.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.76 147.15 23.2 Favored 'General case' 0 N--CA 1.423 -1.785 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -92.72 128.24 38.51 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -176.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -69.55 -11.83 61.15 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.929 0.395 . . . . 0.0 111.945 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -88.5 0.23 56.51 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 74.6 m -126.91 163.01 44.07 Favored Pre-proline 0 C--N 1.303 -1.417 0 C-N-CA 123.485 0.714 . . . . 0.0 109.507 -178.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -52.7 145.85 37.37 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.963 2.442 . . . . 0.0 111.369 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -51.32 99.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 123.763 2.975 . . . . 0.0 112.825 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1562 ' ' GLY . . . . . 0.436 ' O ' ' HD2' ' A' 1576 ' ' LYS . . . 125.16 -17.12 7.12 Favored Glycine 0 N--CA 1.439 -1.101 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.904 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 65.8 t -88.01 130.36 37.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -97.36 -29.78 7.71 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.56 -0.828 . . . . 0.0 113.111 -175.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1565 ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' 1549 ' ' TYR . . . -137.22 138.03 39.72 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.423 -177.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 71.9 m -131.73 137.38 48.21 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.096 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 83.6 t80 -109.89 130.14 55.56 Favored 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 122.869 0.468 . . . . 0.0 110.638 -178.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 89.76 170.03 44.12 Favored Glycine 0 N--CA 1.437 -1.287 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.418 175.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -72.36 -22.02 61.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.812 0.339 . . . . 0.0 111.611 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 20.4 m -80.84 -8.61 59.75 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 122.475 1.131 . . . . 0.0 109.227 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 60.54 55.17 3.49 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 125.766 1.626 . . . . 0.0 111.822 175.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 68.7 mt -66.99 124.4 22.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 3.0 p -60.18 110.8 1.31 Allowed 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 121.418 0.628 . . . . 0.0 111.58 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1574 ' ' VAL . . . . . 0.581 HG23 ' HB3' ' A' 1606 ' ' TYR . 12.4 p -113.17 21.46 6.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-O 122.085 0.945 . . . . 0.0 109.861 -176.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 161.75 131.95 1.28 Allowed Glycine 0 N--CA 1.43 -1.711 0 C-N-CA 119.056 -1.545 . . . . 0.0 114.233 176.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1576 ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' A' 1562 ' ' GLY . 28.6 tptp -76.04 145.33 40.25 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 176.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -62.14 87.9 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -176.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.51 131.83 41.26 Favored 'General case' 0 CA--C 1.493 -1.222 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 176.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -114.81 1.55 14.14 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -67.61 93.87 0.39 Allowed 'General case' 0 C--O 1.25 1.116 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.642 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1581 ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' 1516 ' ' CYS . 0.6 OUTLIER -75.92 127.29 32.68 Favored 'General case' 0 CA--C 1.493 -1.249 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 176.264 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -112.54 127.14 55.99 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.65 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1583 ' ' TYR . . . . . 0.455 ' CE1' ' HA ' ' A' 1586 ' ' GLN . 80.2 t80 -101.46 102.86 13.72 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 175.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 8.2 m -131.83 127.0 58.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.35 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 31.4 t70 51.8 50.17 19.23 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 122.509 1.147 . . . . 0.0 111.721 179.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1586 ' ' GLN . . . . . 0.455 ' HA ' ' CE1' ' A' 1583 ' ' TYR . 79.2 mt-30 63.17 14.84 8.05 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 177.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 12.8 p -123.51 141.95 41.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 177.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1588 ' ' LEU . . . . . 0.464 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 95.9 mt -92.44 131.25 37.75 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -137.75 135.45 36.37 Favored 'General case' 0 C--N 1.291 -1.975 0 C-N-CA 119.203 -0.999 . . . . 0.0 111.503 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 67.4 mt -114.3 123.39 49.39 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 176.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 57.8 t -113.18 108.12 24.71 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.326 0 CA-C-O 121.128 0.489 . . . . 0.0 110.082 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -88.76 88.9 7.77 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1593 ' ' LYS . . . . . 0.407 ' H ' ' HG2' ' A' 1593 ' ' LYS . 9.7 ptpp? -97.31 177.88 5.41 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 113.168 -1.833 . . . . 0.0 109.903 -175.009 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 26.0 t70 55.65 62.84 2.26 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 122.227 1.013 . . . . 0.0 113.129 177.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -104.47 -144.08 12.84 Favored Glycine 0 N--CA 1.437 -1.28 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 174.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1596 ' ' SER . . . . . 0.425 ' O ' ' HD1' ' A' 1606 ' ' TYR . 20.1 t -64.41 134.61 96.04 Favored Pre-proline 0 C--N 1.311 -1.078 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 178.111 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.35 147.33 82.84 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.368 2.045 . . . . 0.0 112.354 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 61.5 m -105.77 150.23 38.91 Favored Pre-proline 0 C--N 1.309 -1.186 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 -176.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -82.36 3.82 7.53 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 123.47 2.78 . . . . 0.0 113.221 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 20.4 m -91.69 6.85 44.28 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -176.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 4.3 mptp? 65.16 -61.4 0.23 Allowed 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 31.0 t -74.03 118.13 16.63 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -178.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 66.78 48.64 60.27 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.81 86.35 2.22 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 122.223 1.011 . . . . 0.0 113.723 -174.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 15.1 p -178.33 124.3 0.11 Allowed 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.486 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1606 ' ' TYR . . . . . 0.581 ' HB3' HG23 ' A' 1574 ' ' VAL . 49.1 m-85 -65.27 124.79 23.13 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 171.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -139.5 144.6 38.01 Favored 'General case' 0 N--CA 1.424 -1.733 0 CA-C-O 121.389 0.614 . . . . 0.0 110.798 -176.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 32.8 t -113.9 126.28 54.99 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.002 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.6 t -111.69 107.92 24.17 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 60.7 mt -104.26 111.08 32.44 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 13.0 t -98.3 127.19 44.11 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1612 ' ' PHE . . . . . 0.464 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 97.7 m-85 -105.95 104.54 14.27 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -176.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 53.0 t -98.27 138.39 23.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.07 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 29.4 t -61.26 100.66 0.13 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.332 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -136.13 88.57 21.53 Favored Pre-proline 0 C--N 1.308 -1.201 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -71.0 7.01 1.48 Allowed 'Trans proline' 0 N--CA 1.48 0.732 0 C-N-CA 123.887 3.058 . . . . 0.0 113.755 -177.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.7 -36.39 83.68 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 123.38 0.672 . . . . 0.0 110.211 -178.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1618 ' ' ALA . . . . . 0.691 ' HA ' ' OD1' ' A' 1622 ' ' ASN . . . 61.09 -173.47 0.13 Allowed 'General case' 0 C--O 1.253 1.274 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.571 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 70.79 -124.62 12.21 Favored Glycine 0 N--CA 1.439 -1.141 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.986 178.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -66.47 -17.89 53.95 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.96 2.44 . . . . 0.0 111.894 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1621 ' ' THR . . . . . 0.612 ' O ' ' HB2' ' A' 1641 ' ' HIS . 7.2 m -69.56 -32.61 71.51 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.085 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1622 ' ' ASN . . . . . 0.691 ' OD1' ' HA ' ' A' 1618 ' ' ALA . 4.9 m-20 -82.76 59.02 4.56 Favored 'General case' 0 C--O 1.247 0.966 0 CA-C-O 121.493 0.663 . . . . 0.0 111.652 -175.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -139.38 144.24 39.25 Favored Pre-proline 0 C--N 1.306 -1.289 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -74.44 123.3 8.06 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.347 2.032 . . . . 0.0 110.83 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 24.5 mmt -113.45 140.25 48.24 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.636 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.8 tt -80.92 115.8 20.58 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 46.4 mm -93.46 -52.77 9.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.674 -177.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 22.3 m -139.51 134.94 32.94 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.916 -0.49 . . . . 0.0 110.961 -177.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.35 109.64 21.43 Favored 'General case' 0 N--CA 1.435 -1.19 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 12.0 t70 -113.53 98.95 7.39 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -82.71 -13.35 56.53 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 121.171 0.51 . . . . 0.0 110.627 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -71.9 -45.81 59.96 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.596 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 24.0 p -105.55 12.02 31.77 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.769 0.795 . . . . 0.0 110.141 175.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 37.8 m 52.9 46.33 26.99 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 113.914 -1.494 . . . . 0.0 111.385 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 26.6 m -115.78 117.04 29.11 Favored 'General case' 0 N--CA 1.415 -2.195 0 CA-C-O 121.319 0.581 . . . . 0.0 110.117 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.6 mp -99.09 112.96 24.96 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -87.79 112.66 22.68 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.347 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -115.64 143.86 44.75 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 32.7 t -125.99 125.94 43.51 Favored 'General case' 0 N--CA 1.408 -2.53 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 176.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -103.51 136.04 43.98 Favored 'General case' 0 N--CA 1.41 -2.45 0 N-CA-C 105.45 -2.056 . . . . 0.0 105.45 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1641 ' ' HIS . . . . . 0.612 ' HB2' ' O ' ' A' 1621 ' ' THR . 41.3 m-70 -104.75 109.67 21.7 Favored 'General case' 0 C--N 1.281 -2.371 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -177.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 5.1 t -138.95 141.35 29.92 Favored Pre-proline 0 C--N 1.312 -1.047 0 CA-C-O 121.546 0.688 . . . . 0.0 112.353 -175.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -70.78 -10.0 26.87 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 123.505 2.803 . . . . 0.0 111.523 173.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.11 -10.61 59.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.034 0.445 . . . . 0.0 111.0 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.77 12.07 33.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.743 0.783 . . . . 0.0 109.922 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 65.2 m -99.66 135.47 41.03 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1647 ' ' GLU . . . . . 0.447 ' HA ' ' CZ ' ' A' 1527 ' ' PHE . 36.4 mt-10 -81.17 80.48 7.61 Favored 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -178.273 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 61.4 tp -89.33 129.28 35.89 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 174.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.541 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.508 -177.58 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 96.8 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 121.456 0.646 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' 1527 ' ' PHE . 21.3 pt20 -148.37 139.55 23.29 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -178.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 57.4 t -130.68 132.73 64.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 19.5 m -99.71 136.34 39.78 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 41.6 t30 -104.91 106.29 54.66 Favored Pre-proline 0 C--N 1.314 -0.967 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 174.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.43 -26.8 55.39 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 124.029 3.153 . . . . 0.0 113.937 -176.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.8 m -60.15 -50.87 71.98 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 122.659 0.384 . . . . 0.0 111.146 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 8.5 p -98.08 -27.24 14.3 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 121.611 0.72 . . . . 0.0 111.896 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 90.51 1.97 73.77 Favored Glycine 0 N--CA 1.441 -0.973 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -175.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -77.23 139.42 39.86 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 124.003 0.921 . . . . 0.0 111.266 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 66.9 tp -105.95 127.16 52.96 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.134 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' 1517 ' ' GLN . 72.0 m-85 -97.45 106.57 18.91 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 175.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.4 p30 -122.29 149.79 43.23 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 92.2 mt -116.3 26.68 9.74 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 121.37 0.605 . . . . 0.0 109.915 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 18.4 m -68.62 -29.9 68.51 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.182 -175.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 7.7 p -72.85 -22.14 60.83 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.982 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 86.2 mt -99.69 -2.6 34.96 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.68 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 17.6 t -76.64 138.34 40.01 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -152.63 153.99 25.23 Favored Glycine 0 CA--C 1.498 -0.991 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -84.1 -40.3 18.45 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.199 0.523 . . . . 0.0 109.922 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -83.96 -20.17 33.37 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 67.7 -134.73 30.36 Favored Glycine 0 N--CA 1.434 -1.449 0 CA-C-N 114.152 -1.385 . . . . 0.0 113.52 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 55.8 t80 -130.12 132.84 46.28 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 26.7 m -108.04 110.67 22.42 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -97.74 128.05 44.12 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.619 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -88.48 119.79 29.25 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 121.222 0.534 . . . . 0.0 110.152 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 91.0 t80 . . . . . 0 C--N 1.294 -1.829 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.957 179.839 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.693 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 44.1 t -93.15 114.15 29.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -93.64 104.67 16.76 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 107.848 -1.168 . . . . 0.0 107.848 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 23.1 ptm -126.05 125.19 42.2 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 120.938 0.399 . . . . 0.0 111.049 -176.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 69.0 m -107.02 130.66 54.62 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.105 176.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 50.9 mm -78.9 104.4 6.82 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 85.3 m 64.85 81.68 0.2 Allowed 'General case' 0 C--N 1.316 -0.858 0 O-C-N 124.526 1.141 . . . . 0.0 112.125 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 153.32 -176.28 31.43 Favored Glycine 0 N--CA 1.414 -2.783 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.05 176.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . 0.449 ' OE1' ' HA ' ' A' 1561 ' ' PRO . 0.0 OUTLIER -104.61 133.54 49.29 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.609 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.529 ' HB3' ' SG ' ' A' 1559 ' ' CYS . 23.1 t-20 -80.34 139.04 36.76 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.049 -172.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -55.91 -28.83 58.54 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.116 1.366 . . . . 0.0 113.618 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -89.62 -15.06 33.57 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 121.962 0.887 . . . . 0.0 109.598 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . 0.529 ' SG ' ' HB3' ' A' 1556 ' ' ASN . 92.6 m -94.52 154.24 40.19 Favored Pre-proline 0 C--N 1.299 -1.607 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.948 -177.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -64.0 139.68 68.7 Favored 'Trans proline' 0 C--O 1.246 0.88 0 C-N-CA 122.13 1.887 . . . . 0.0 109.443 173.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . 0.449 ' HA ' ' OE1' ' A' 1555 ' ' GLU . 6.7 Cg_endo -47.54 104.16 0.07 OUTLIER 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 124.25 3.3 . . . . 0.0 114.379 -175.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 126.48 -19.71 6.26 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.143 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 86.9 t -88.97 131.21 36.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -95.73 -25.06 13.98 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.569 -0.824 . . . . 0.0 113.361 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -142.89 131.56 22.58 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.755 0.312 . . . . 0.0 110.862 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 78.2 m -125.58 133.69 52.19 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.123 0.487 . . . . 0.0 110.344 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 44.0 t80 -98.29 114.31 26.55 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.854 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 81.3 179.77 53.16 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 115.1 0.8 . . . . 0.0 115.1 171.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.77 -25.96 65.87 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 124.496 1.118 . . . . 0.0 112.579 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 16.3 m -80.92 -6.55 58.82 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 122.044 0.926 . . . . 0.0 108.926 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 58.57 44.49 17.6 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 113.978 -1.465 . . . . 0.0 111.824 172.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.67 117.15 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.576 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 14.7 p -62.11 119.03 8.15 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-O 121.239 0.542 . . . . 0.0 111.37 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.494 HG23 ' HB3' ' A' 1606 ' ' TYR . 10.7 p -117.17 31.74 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 CA-C-O 123.182 1.468 . . . . 0.0 108.614 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . 0.47 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 153.01 127.77 1.25 Allowed Glycine 0 N--CA 1.421 -2.325 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.908 177.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 48.4 tptt -76.86 149.19 36.16 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -61.39 104.92 0.45 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.264 0.554 . . . . 0.0 110.928 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -114.66 153.47 30.15 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.818 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 21.2 pttm -133.18 15.63 4.16 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 121.472 0.653 . . . . 0.0 110.624 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -82.77 91.54 7.06 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.397 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.615 HD11 ' HB3' ' A' 1588 ' ' LEU . 57.5 tp -86.68 119.27 26.74 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -107.23 135.16 49.22 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 39.1 t80 -105.85 100.84 10.38 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 16.5 m -131.69 124.22 53.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.559 -175.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 34.2 t70 60.49 39.14 18.6 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 122.323 1.058 . . . . 0.0 110.735 176.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 64.9 22.64 12.51 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.062 1.345 . . . . 0.0 112.593 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 57.4 t -125.51 135.52 63.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.615 ' HB3' HD11 ' A' 1581 ' ' LEU . 96.8 mt -90.19 132.03 35.7 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 175.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -130.59 129.49 42.82 Favored 'General case' 0 C--N 1.282 -2.354 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.746 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 49.6 mt -115.17 123.6 49.32 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.751 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 57.9 t -113.71 112.82 41.89 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 CA-C-O 121.302 0.572 . . . . 0.0 109.527 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . 0.47 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 96.7 m-85 -92.49 87.93 6.16 Favored 'General case' 0 C--N 1.289 -2.03 0 CA-C-O 122.03 0.919 . . . . 0.0 108.701 176.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 20.7 pttp -82.63 171.24 14.26 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 113.42 -1.718 . . . . 0.0 111.447 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 37.8 t70 57.6 80.72 0.16 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.222 1.409 . . . . 0.0 112.572 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -109.28 -154.0 15.51 Favored Glycine 0 C--N 1.293 -1.822 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 176.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 28.1 m -71.96 126.44 91.32 Favored Pre-proline 0 C--N 1.297 -1.679 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -54.56 122.51 11.7 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.777 2.318 . . . . 0.0 110.366 174.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 58.2 m . . . . . 0 C--N 1.309 -1.183 0 C-N-CA 123.285 0.634 . . . . 0.0 109.616 -178.48 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 80.2 mt . . . . . 0 C--O 1.244 0.777 0 CA-C-O 120.971 0.415 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 77.9 p -137.04 157.52 46.53 Favored 'General case' 0 N--CA 1.429 -1.497 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.173 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.494 ' HB3' HG23 ' A' 1574 ' ' VAL . 98.5 m-85 -67.94 118.08 10.66 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.004 178.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -126.09 147.71 49.52 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.874 -174.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 44.6 m -112.04 125.9 54.59 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.04 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 84.1 t -113.33 111.68 37.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 52.4 mt -102.96 121.94 54.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 27.9 t -107.78 110.48 22.29 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.556 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 87.2 m-85 -94.31 99.59 11.78 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.6 t -80.66 131.49 33.86 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.984 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 15.6 t -70.55 90.53 0.75 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.713 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -121.5 99.06 45.69 Favored Pre-proline 0 C--N 1.299 -1.612 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo . . . . . 0 C--O 1.244 0.779 0 C-N-CA 122.083 1.855 . . . . 0.0 109.344 175.922 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 40.3 mtm105 . . . . . 0 N--CA 1.438 -1.07 0 N-CA-C 104.956 -2.239 . . . . 0.0 104.956 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.438 ' HD3' ' CZ3' ' A' 1640 ' ' TRP . 54.1 Cg_endo -75.04 121.31 6.48 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 120.828 1.019 . . . . 0.0 110.579 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 63.0 mtp -102.51 130.89 49.47 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.4 tt -81.1 100.73 9.19 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 -177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.3 mm -86.06 -42.74 16.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -175.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 35.0 t -140.23 126.3 19.71 Favored 'General case' 0 N--CA 1.421 -1.921 0 C-N-CA 120.146 -0.622 . . . . 0.0 109.912 -177.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.55 113.89 27.75 Favored 'General case' 0 N--CA 1.435 -1.206 0 N-CA-C 105.701 -1.962 . . . . 0.0 105.701 176.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.1 t70 -112.34 110.65 21.0 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 120.939 0.4 . . . . 0.0 110.31 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 67.3 mttm -84.21 -29.74 26.31 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.108 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -62.9 -45.51 92.19 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -174.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 17.6 p -111.71 11.99 21.06 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-O 121.307 0.575 . . . . 0.0 111.088 178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 59.0 m 56.5 53.05 9.02 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.577 -1.192 . . . . 0.0 112.14 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 38.1 m -126.1 125.9 43.31 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.836 -0.54 . . . . 0.0 110.814 -177.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.67 123.31 47.38 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -99.67 114.13 27.01 Favored 'General case' 0 C--O 1.252 1.198 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.564 -178.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -110.96 130.85 55.46 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.755 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 44.3 t -108.76 128.55 54.98 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . 0.438 ' CZ3' ' HD3' ' A' 1624 ' ' PRO . 2.2 t-105 -119.44 128.82 54.38 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 18.1 m170 -97.51 101.84 13.47 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.8 t -127.75 141.4 40.94 Favored Pre-proline 0 N--CA 1.431 -1.393 0 CA-C-O 121.149 0.499 . . . . 0.0 110.766 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -81.79 0.13 10.04 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 122.865 2.377 . . . . 0.0 110.854 174.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 97.0 mt -84.68 -5.2 59.3 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-O 121.353 0.597 . . . . 0.0 110.589 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -97.77 9.64 42.12 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 63.7 m . . . . . 0 N--CA 1.425 -1.707 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.055 -175.849 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 39.0 m . . . . . 0 C--O 1.256 1.443 0 CA-C-O 122.314 1.055 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.421 ' HB2' HD11 ' A' 1526 ' ' LEU . 10.0 pt20 -140.08 139.6 35.92 Favored 'General case' 0 N--CA 1.425 -1.686 0 CA-C-N 113.979 -1.464 . . . . 0.0 108.994 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . 0.548 HG23 HD13 ' A' 1581 ' ' LEU . 96.2 t -117.75 125.43 74.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 16.8 m -107.36 113.73 27.3 Favored 'General case' 0 N--CA 1.426 -1.673 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -100.85 107.02 47.46 Favored Pre-proline 0 C--N 1.3 -1.557 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -65.58 -15.42 49.39 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.838 2.358 . . . . 0.0 111.761 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 1.6 p -61.66 -48.64 79.91 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 124.081 0.952 . . . . 0.0 111.344 177.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 3.2 p -104.3 -22.67 13.32 Favored 'General case' 0 N--CA 1.433 -1.309 0 CA-C-O 121.157 0.503 . . . . 0.0 111.856 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 83.71 28.62 34.7 Favored Glycine 0 N--CA 1.44 -1.062 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.784 178.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -118.06 151.2 37.98 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-O 120.748 0.309 . . . . 0.0 111.489 -177.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . 0.421 HD11 ' HB2' ' A' 1517 ' ' GLN . 64.5 tp -107.04 110.3 22.39 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.257 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -101.37 126.05 48.09 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -127.0 149.28 49.97 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.737 -174.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 91.7 mt -109.17 6.12 24.5 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 115.331 -0.85 . . . . 0.0 108.967 172.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.1 p -71.08 -26.01 62.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.073 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 34.5 m -71.45 -8.95 57.17 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.293 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 87.0 mt -110.64 8.6 22.79 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 18.4 t -91.11 155.44 18.64 Favored 'General case' 0 N--CA 1.433 -1.316 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.79 -174.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -174.64 147.0 8.84 Favored Glycine 0 N--CA 1.432 -1.58 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . 0.488 ' O ' ' HA ' ' A' 1556 ' ' ASN . 31.1 mtm180 -68.31 -31.24 70.53 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 118.148 0.974 . . . . 0.0 111.695 -175.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -85.25 -10.17 56.85 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-O 121.464 0.65 . . . . 0.0 110.446 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 60.42 -136.81 49.19 Favored Glycine 0 N--CA 1.431 -1.687 0 CA-C-N 114.561 -1.199 . . . . 0.0 113.102 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 86.7 t80 -134.04 133.08 40.8 Favored 'General case' 0 C--N 1.285 -2.198 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 29.4 m -105.42 110.25 22.53 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-O 121.265 0.555 . . . . 0.0 109.898 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -105.6 106.57 17.14 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.809 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -84.72 116.61 23.33 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--N 1.309 -1.168 0 CA-C-O 121.089 0.471 . . . . 0.0 110.383 -178.54 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.791 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 47.0 t -113.89 123.88 69.99 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 CA-C-N 117.302 0.551 . . . . 0.0 110.172 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . 0.43 ' HB2' ' SG ' ' A' 1566 ' ' CYS . 49.5 m-85 -94.1 104.27 16.3 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 174.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.9 ptm -123.0 128.03 49.63 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-O 120.934 0.397 . . . . 0.0 111.584 -174.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 37.6 t -102.13 132.81 47.79 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 2.4 mp -87.69 110.07 20.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 28.3 t 72.33 94.92 0.07 Allowed 'General case' 0 C--O 1.239 0.535 0 C-N-CA 124.487 1.115 . . . . 0.0 111.267 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 120.07 -166.37 13.57 Favored Glycine 0 N--CA 1.43 -1.712 0 C-N-CA 120.435 -0.888 . . . . 0.0 111.376 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . 0.423 ' HA ' ' HA2' ' A' 1564 ' ' GLY . 11.4 pt-20 -107.67 145.45 33.37 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 120.857 0.361 . . . . 0.0 110.27 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.488 ' HA ' ' O ' ' A' 1535 ' ' ARG . 46.0 t-20 -88.87 132.79 34.52 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -177.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -73.32 -14.32 61.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.165 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 15.2 m120 -92.54 -1.13 57.16 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.426 0.632 . . . . 0.0 109.747 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 73.4 m -119.64 165.01 18.78 Favored Pre-proline 0 C--N 1.303 -1.45 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -55.12 154.33 23.03 Favored 'Trans proline' 0 CA--C 1.551 1.335 0 C-N-CA 122.526 2.15 . . . . 0.0 112.051 176.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.31 123.62 14.28 Favored 'Trans proline' 0 C--O 1.249 1.035 0 C-N-CA 123.344 2.696 . . . . 0.0 112.605 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 95.13 -8.56 69.94 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.991 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 79.8 t -89.1 125.23 42.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.233 0 CA-C-O 120.965 0.412 . . . . 0.0 111.415 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' 1555 ' ' GLU . . . -82.99 -32.43 26.39 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.118 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -148.25 134.16 19.09 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' 1549 ' ' TYR . 21.5 p -121.56 133.65 55.02 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.33 0.586 . . . . 0.0 110.729 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 79.4 t80 -95.31 124.11 39.18 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.902 -175.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 79.94 171.46 42.53 Favored Glycine 0 N--CA 1.431 -1.678 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.703 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -83.44 -0.37 49.74 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 121.214 0.53 . . . . 0.0 110.485 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 26.0 m -84.15 -3.92 58.45 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-O 122.135 0.969 . . . . 0.0 109.065 173.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 60.27 39.18 19.33 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 114.867 -1.061 . . . . 0.0 112.06 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 79.2 mt -71.86 114.89 11.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 32.0 p -63.25 114.34 3.74 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 121.218 0.532 . . . . 0.0 111.623 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.542 HG23 ' HB3' ' A' 1606 ' ' TYR . 12.8 p -104.93 20.14 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-O 122.472 1.129 . . . . 0.0 109.626 -178.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 156.41 143.99 3.81 Favored Glycine 0 N--CA 1.425 -2.082 0 CA-C-N 114.797 -1.092 . . . . 0.0 113.225 173.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -79.16 158.38 27.71 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 123.593 0.757 . . . . 0.0 109.514 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -67.48 86.14 0.18 Allowed 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 124.355 1.062 . . . . 0.0 111.827 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.59 151.29 19.78 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.81 11.2 7.78 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.36 0.6 . . . . 0.0 110.441 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -76.47 93.15 3.48 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.589 -177.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.548 HD13 HG23 ' A' 1518 ' ' VAL . 0.4 OUTLIER -86.35 122.91 30.98 Favored 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.677 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . 0.527 ' NH2' ' HG2' ' A' 1589 ' ' GLN . 89.2 mtm180 -109.01 126.44 53.13 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 -179.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 56.3 t80 -116.51 102.18 9.26 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 6.2 m -140.8 144.24 27.32 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.788 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 53.0 m-20 53.44 37.03 24.63 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.469 1.107 . . . . 0.0 113.48 174.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 2.3 mp0 61.0 29.29 18.92 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.651 0.78 . . . . 0.0 111.699 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' 1612 ' ' PHE . 5.5 p -135.14 123.93 40.95 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 CA-C-O 121.324 0.583 . . . . 0.0 110.285 176.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.531 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 84.4 mt -84.01 126.93 33.52 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 175.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . 0.527 ' HG2' ' NH2' ' A' 1582 ' ' ARG . 26.2 tt0 -129.6 125.33 35.93 Favored 'General case' 0 C--N 1.281 -2.37 0 C-N-CA 119.231 -0.988 . . . . 0.0 111.802 -176.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 55.5 mt -113.44 152.92 29.46 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.566 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.1 p -140.39 128.26 24.31 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -105.07 105.33 15.32 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 172.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 26.4 pttm -108.4 175.34 5.51 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.014 -174.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 11.0 t70 61.54 45.17 8.48 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.775 1.23 . . . . 0.0 112.854 172.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -83.89 -139.56 4.06 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.518 177.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . 0.462 ' O ' ' HA ' ' A' 1605 ' ' SER . 35.7 m -67.18 147.84 98.91 Favored Pre-proline 0 C--N 1.307 -1.248 0 C-N-CA 123.157 0.583 . . . . 0.0 110.724 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -69.11 134.57 29.7 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.587 2.191 . . . . 0.0 110.762 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 84.1 m . . . . . 0 C--N 1.297 -1.695 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.875 -178.864 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 N--CA 1.434 -1.259 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' 1596 ' ' SER . 14.5 m -132.56 142.01 48.97 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -177.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.542 ' HB3' HG23 ' A' 1574 ' ' VAL . 76.3 m-85 -56.14 131.23 47.13 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.168 0.587 . . . . 0.0 112.378 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' 1635 ' ' THR . 56.0 mtpt -129.35 143.6 50.91 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 124.331 1.052 . . . . 0.0 110.53 -177.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 37.0 m -119.07 123.31 44.16 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 175.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 90.1 t -107.95 116.11 50.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 45.6 mt -106.39 113.55 43.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 21.6 t -103.22 111.34 23.69 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.531 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 73.8 m-85 -94.38 98.7 11.08 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 58.3 t -82.65 135.69 24.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' 1642 ' ' THR . 50.1 t -67.37 121.12 15.07 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.112 -176.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -134.07 90.35 26.45 Favored Pre-proline 0 C--N 1.306 -1.32 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo . . . . . 0 N--CA 1.483 0.877 0 C-N-CA 123.864 3.043 . . . . 0.0 114.192 -178.056 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 . . . . . 0 C--O 1.236 0.36 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.543 ' HA ' ' O ' ' A' 1639 ' ' SER . 67.4 Cg_endo -83.4 122.82 3.27 Favored 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 121.667 1.578 . . . . 0.0 111.267 175.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 86.8 mtp -95.81 139.71 31.64 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.653 -0.655 . . . . 0.0 109.36 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.4 tt -82.52 114.9 21.25 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -175.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.7 mm -93.04 -52.84 9.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.692 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 26.5 t -137.7 143.0 41.06 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.06 95.8 4.8 Favored 'General case' 0 N--CA 1.424 -1.751 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 -176.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -97.77 100.26 11.63 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 176.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -84.06 -13.24 53.63 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.162 -176.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -82.31 -42.36 18.88 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -175.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 36.4 p -102.18 -0.22 33.54 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 122.151 0.977 . . . . 0.0 109.805 176.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.48 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 37.8 m 63.67 63.84 0.83 Allowed 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 113.056 -1.884 . . . . 0.0 111.543 175.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' 1607 ' ' LYS . 39.3 m -138.09 118.6 13.86 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 121.213 0.53 . . . . 0.0 110.178 179.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 7.0 mp -102.1 134.91 44.58 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.611 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -106.74 116.63 32.25 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.223 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -113.2 141.68 46.67 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . 0.543 ' O ' ' HA ' ' A' 1624 ' ' PRO . 37.4 p -120.71 127.67 52.24 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 120.936 0.398 . . . . 0.0 111.024 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 8.4 t-105 -119.07 147.61 43.94 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -118.65 113.32 21.02 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 118.243 0.474 . . . . 0.0 110.002 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . 0.48 ' O ' ' HA ' ' A' 1614 ' ' CYS . 11.9 t -140.45 147.07 47.95 Favored Pre-proline 0 C--N 1.313 -0.996 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.024 -175.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.41 -4.32 14.56 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 123.338 2.692 . . . . 0.0 112.058 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 71.4 mt -78.01 -7.63 57.12 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.335 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -93.04 14.53 17.51 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 121.064 0.459 . . . . 0.0 111.889 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 63.5 m . . . . . 0 C--N 1.301 -1.524 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 174.066 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 67.8 m . . . . . 0 C--O 1.247 0.953 0 CA-C-O 122.762 1.268 . . . . 0.0 111.597 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.6 pt20 -146.23 128.64 15.91 Favored 'General case' 0 N--CA 1.406 -2.671 0 CA-C-N 112.986 -1.916 . . . . 0.0 106.428 175.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 24.6 t -125.68 132.79 70.42 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 28.0 m -87.8 122.72 31.79 Favored 'General case' 0 N--CA 1.423 -1.802 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 46.2 t30 -95.66 105.73 22.63 Favored Pre-proline 0 C--N 1.307 -1.276 0 N-CA-C 108.839 -0.801 . . . . 0.0 108.839 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.99 -4.13 14.22 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.373 2.716 . . . . 0.0 113.274 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.2 m -68.9 -49.63 56.52 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-O 121.225 0.536 . . . . 0.0 109.714 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 15.0 p -119.96 -10.92 9.38 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -175.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 83.53 28.01 37.28 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.857 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 17.7 m80 -103.75 136.85 42.67 Favored 'General case' 0 C--N 1.311 -1.09 0 O-C-N 122.454 -0.439 . . . . 0.0 111.27 178.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 66.0 tp -100.05 105.52 17.18 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.174 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' 1517 ' ' GLN . 99.1 m-85 -84.6 106.76 16.41 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.6 p30 -117.9 144.25 45.61 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-O 121.501 0.667 . . . . 0.0 110.794 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 95.1 mt -120.94 21.86 11.24 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 174.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 15.0 m -68.85 -26.41 65.14 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.061 -1.427 . . . . 0.0 110.511 -175.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 5.3 p -72.9 -26.05 61.28 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.623 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 91.9 mt -93.83 -1.91 54.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.78 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 19.5 t -66.06 141.85 58.0 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.201 0.524 . . . . 0.0 110.902 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -170.63 134.99 3.32 Favored Glycine 0 N--CA 1.432 -1.616 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . 0.451 ' O ' ' HA ' ' A' 1556 ' ' ASN . 55.9 mtm180 -84.37 -20.39 32.03 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -86.5 -34.17 20.11 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . 0.51 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 66.74 -131.04 31.34 Favored Glycine 0 N--CA 1.43 -1.706 0 CA-C-N 113.957 -1.474 . . . . 0.0 112.705 176.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -139.94 136.4 33.79 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 32.7 m -88.0 107.93 18.97 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -87.35 114.58 24.08 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -117.3 118.69 32.96 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.771 -176.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 29.8 p90 . . . . . 0 C--N 1.294 -1.83 0 CA-C-O 118.895 -0.574 . . . . 0.0 110.933 -178.488 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.69 0 N-CA-C 114.369 0.508 . . . . 0.0 114.369 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 22.0 t -121.03 116.45 49.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 N-CA-C 105.91 -1.885 . . . . 0.0 105.91 169.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -91.29 108.38 19.84 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . 0.51 ' O ' ' HA3' ' A' 1537 ' ' GLY . 23.1 ptp -112.18 126.95 55.76 Favored 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.137 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 30.4 t -89.43 143.62 26.68 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 2.8 mp -103.3 105.92 19.19 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.11 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 41.9 t 71.92 81.76 0.14 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.298 0.999 . . . . 0.0 111.19 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 129.82 -152.6 19.69 Favored Glycine 0 N--CA 1.434 -1.498 0 C-N-CA 120.096 -1.05 . . . . 0.0 112.256 177.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.44 157.63 17.22 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 123.408 0.683 . . . . 0.0 111.187 -179.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' A' 1535 ' ' ARG . 15.8 m120 -85.24 129.4 34.81 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 175.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.55 -15.61 61.29 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.3 -177.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -101.94 15.79 27.95 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.589 0.709 . . . . 0.0 110.478 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . 0.406 ' HB2' ' HB2' ' A' 1556 ' ' ASN . 99.4 m -130.37 165.0 37.27 Favored Pre-proline 0 C--N 1.294 -1.819 0 CA-C-N 115.267 -0.878 . . . . 0.0 108.835 177.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -49.91 131.73 30.51 Favored 'Trans proline' 0 C--O 1.249 1.042 0 C-N-CA 122.546 2.164 . . . . 0.0 111.327 173.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.1 99.73 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.224 0 C-N-CA 123.19 2.593 . . . . 0.0 111.419 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 141.03 -19.48 2.7 Favored Glycine 0 N--CA 1.43 -1.732 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.29 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 45.5 t -88.36 132.83 32.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -106.09 -7.61 35.23 Favored Glycine 0 CA--C 1.507 -0.457 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.706 -177.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -160.24 129.7 5.12 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 92.1 m -118.95 133.31 55.91 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.057 0.456 . . . . 0.0 111.196 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 76.3 t80 -107.49 128.97 54.98 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 89.65 177.14 45.52 Favored Glycine 0 N--CA 1.427 -1.965 0 C-N-CA 120.705 -0.759 . . . . 0.0 113.605 173.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -77.27 -24.08 51.08 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 123.289 0.636 . . . . 0.0 110.94 -176.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 26.4 m -82.89 -12.0 57.75 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-O 122.009 0.909 . . . . 0.0 109.932 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 67.63 56.81 0.57 Allowed 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.093 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 71.9 mt -72.35 131.41 34.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.044 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 16.6 p -68.4 110.41 4.11 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -176.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.461 HG23 ' HB3' ' A' 1606 ' ' TYR . 13.2 p -106.03 31.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 CA-C-O 123.211 1.481 . . . . 0.0 107.926 178.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 144.83 143.55 4.02 Favored Glycine 0 N--CA 1.426 -1.98 0 CA-C-N 113.834 -1.53 . . . . 0.0 112.912 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 76.1 mmtt -82.28 158.6 23.41 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -57.45 131.39 49.99 Favored 'General case' 0 C--N 1.31 -1.133 0 O-C-N 124.301 1.001 . . . . 0.0 109.632 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 58.1 t30 -146.38 144.2 29.58 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -176.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 55.0 mttp -126.76 15.05 7.51 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.445 0.641 . . . . 0.0 109.372 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -80.23 91.15 5.56 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.515 HD21 ' HB3' ' A' 1588 ' ' LEU . 1.9 tt -88.72 126.33 35.27 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 -178.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . 0.402 ' NE ' ' HA ' ' A' 1582 ' ' ARG . 3.7 mmp_? -116.17 135.49 53.87 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 54.5 p90 -106.59 101.01 10.5 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . 0.413 ' O ' HG22 ' A' 1587 ' ' VAL . 17.7 m -127.55 128.94 70.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.049 -176.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 32.3 t70 55.76 43.75 27.32 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 122.412 1.101 . . . . 0.0 110.444 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 26.0 mp0 61.33 17.25 8.12 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 114.104 -1.407 . . . . 0.0 114.76 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' 1584 ' ' VAL . 15.6 m -121.29 150.86 24.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 174.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.515 ' HB3' HD21 ' A' 1581 ' ' LEU . 87.4 mt -97.93 129.3 44.85 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -122.77 132.83 54.4 Favored 'General case' 0 C--N 1.293 -1.868 0 C-N-CA 120.27 -0.572 . . . . 0.0 112.207 -176.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 66.5 mt -120.01 122.98 42.34 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 171.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . 0.409 HG23 HG22 ' A' 1609 ' ' VAL . 10.5 p -115.92 136.19 53.62 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -110.73 96.49 6.21 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -102.6 176.81 5.04 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.711 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 33.2 m-20 69.48 38.45 1.78 Allowed 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.525 1.13 . . . . 0.0 112.715 177.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -89.31 -143.64 10.01 Favored Glycine 0 C--O 1.249 1.059 0 N-CA-C 111.739 -0.544 . . . . 0.0 111.739 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . 0.481 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 47.3 m -73.95 126.29 89.51 Favored Pre-proline 0 C--N 1.306 -1.317 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' 1596 ' ' SER . 19.9 Cg_exo -67.05 153.6 77.24 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 123.004 2.469 . . . . 0.0 114.108 -177.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 66.7 m . . . . . 0 C--N 1.312 -1.04 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.896 -178.208 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.436 -1.149 0 CA-C-O 122.004 0.907 . . . . 0.0 112.957 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 30.5 t -177.41 123.78 0.13 Allowed 'General case' 0 N--CA 1.432 -1.335 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.266 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.461 ' HB3' HG23 ' A' 1574 ' ' VAL . 27.5 m-85 -66.76 120.18 13.08 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 165.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -140.42 147.03 39.08 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.284 0.564 . . . . 0.0 110.927 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 22.8 t -115.97 135.99 53.45 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . 0.409 HG22 HG23 ' A' 1591 ' ' VAL . 57.7 t -116.55 109.31 27.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 61.1 mt -97.89 112.23 29.48 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 16.2 m -105.2 114.67 28.99 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.23 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.464 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 79.0 m-85 -91.43 99.98 12.83 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' 1641 ' ' HIS . 22.8 t -92.25 139.39 18.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . 0.597 ' HA ' ' O ' ' A' 1642 ' ' THR . 49.8 t -81.82 136.61 35.38 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.367 0.603 . . . . 0.0 112.016 -175.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -140.75 93.85 8.35 Favored Pre-proline 0 C--N 1.308 -1.212 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.658 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo . . . . . 0 CA--C 1.535 0.544 0 C-N-CA 122.131 1.888 . . . . 0.0 110.118 171.106 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 . . . . . 0 N--CA 1.429 -1.524 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' 1639 ' ' SER . 37.3 Cg_endo -67.47 121.73 8.87 Favored 'Trans proline' 0 C--O 1.249 1.075 0 C-N-CA 121.862 1.708 . . . . 0.0 111.401 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 73.2 mtm -129.16 147.62 51.02 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.268 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . 0.499 HD11 HD23 ' A' 1629 ' ' LEU . 1.5 tt -80.03 113.84 18.5 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.355 -174.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.7 mm -97.64 -43.82 12.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-O 120.833 0.349 . . . . 0.0 111.256 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 20.5 m -136.77 130.44 31.93 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.443 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.499 HD23 HD11 ' A' 1626 ' ' LEU . 0.9 OUTLIER -114.32 107.06 15.07 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 -179.706 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.4 t70 -105.94 104.49 14.21 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -75.53 -32.39 60.44 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.263 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.27 -40.99 97.1 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -173.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 32.0 p -110.23 11.63 23.52 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 120.958 0.409 . . . . 0.0 111.952 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 59.1 m 56.41 47.83 18.15 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.227 1.011 . . . . 0.0 112.061 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 36.6 m -120.05 123.07 42.51 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-O 121.317 0.58 . . . . 0.0 111.059 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.2 mp -105.51 115.65 30.61 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.247 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -94.19 115.24 27.48 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.403 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.94 136.52 51.15 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' 1624 ' ' PRO . 38.1 t -109.97 140.5 43.91 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . 0.401 ' O ' ' HA ' ' A' 1612 ' ' PHE . 2.2 t90 -130.91 126.8 37.07 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 105.0 -2.222 . . . . 0.0 105.0 177.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . 0.433 ' HA ' ' O ' ' A' 1613 ' ' VAL . 44.1 m-70 -106.1 108.43 19.94 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 119.755 -0.778 . . . . 0.0 110.145 -178.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . 0.597 ' O ' ' HA ' ' A' 1614 ' ' CYS . 5.5 t -135.68 139.59 31.33 Favored Pre-proline 0 C--N 1.304 -1.413 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.575 -177.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.458 ' HA ' ' SG ' ' A' 1614 ' ' CYS . 66.7 Cg_endo -72.82 -5.85 17.94 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 122.859 2.373 . . . . 0.0 111.77 177.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 97.1 mt -72.41 -9.26 58.3 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.132 0.573 . . . . 0.0 111.344 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' 1614 ' ' CYS . . . -84.46 -12.05 55.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.133 0.492 . . . . 0.0 109.977 177.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 68.6 m . . . . . 0 CA--C 1.487 -1.455 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.865 176.93 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 31.9 m . . . . . 0 C--O 1.239 0.512 0 CA-C-O 120.695 0.283 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.494 ' HB2' HD11 ' A' 1526 ' ' LEU . 10.2 pt20 -155.4 139.48 16.45 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -174.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 89.9 t -130.41 124.89 58.37 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.077 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 6.6 m -100.28 127.06 46.66 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 120.078 -0.649 . . . . 0.0 109.603 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -101.18 105.75 41.03 Favored Pre-proline 0 C--N 1.299 -1.609 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 175.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -72.8 -10.63 25.14 Favored 'Trans proline' 0 C--O 1.241 0.667 0 C-N-CA 122.728 2.286 . . . . 0.0 112.748 -175.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 6.8 m -70.34 -51.76 27.65 Favored 'General case' 0 N--CA 1.427 -1.599 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.726 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 23.8 p -95.79 -25.89 15.88 Favored 'General case' 0 C--O 1.251 1.143 0 CA-C-O 121.224 0.535 . . . . 0.0 111.872 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 90.07 16.71 55.5 Favored Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -177.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -96.67 126.67 42.0 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -175.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . 0.494 HD11 ' HB2' ' A' 1517 ' ' GLN . 35.5 tp -93.4 109.72 21.28 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 177.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -80.66 105.93 12.27 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.92 136.29 53.05 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 176.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 80.1 mt -110.57 13.72 22.56 Favored 'General case' 0 C--N 1.267 -3.002 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 174.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 29.2 m -66.42 -32.06 73.2 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.147 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 38.5 t -59.92 -36.38 76.89 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.53 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 93.2 mt -101.47 0.07 36.1 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.051 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 24.1 t -78.65 147.71 33.48 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-O 121.34 0.591 . . . . 0.0 110.414 -174.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -174.89 142.91 6.53 Favored Glycine 1 N--CA 1.395 -4.085 0 N-CA-C 108.936 -1.666 . . . . 0.0 108.936 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . 0.562 ' O ' ' HA ' ' A' 1556 ' ' ASN . 91.8 mtt180 -78.69 -26.57 44.96 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.499 0.666 . . . . 0.0 109.971 -177.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -81.16 -25.73 36.61 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 173.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . 0.51 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 69.76 -128.86 21.13 Favored Glycine 0 N--CA 1.424 -2.148 0 CA-C-N 114.011 -1.45 . . . . 0.0 112.6 175.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 57.9 t80 -138.07 138.62 38.95 Favored 'General case' 0 C--N 1.284 -2.275 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 86.7 m -104.12 107.27 18.09 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.455 0.645 . . . . 0.0 109.415 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -96.89 125.85 41.62 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -105.69 129.49 53.9 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 82.0 m-85 . . . . . 0 C--N 1.294 -1.809 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.515 179.476 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.41 -3.072 0 CA-C-O 121.63 0.572 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 68.9 t -103.03 108.31 24.05 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.237 0 N-CA-C 104.639 -2.356 . . . . 0.0 104.639 170.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -89.26 103.69 16.3 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 -176.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . 0.51 ' O ' ' HA3' ' A' 1537 ' ' GLY . 23.9 ptp -114.89 131.36 56.89 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . 0.402 ' HB2' ' HB2' ' A' 1556 ' ' ASN . 23.2 t -88.96 153.02 21.36 Favored 'General case' 0 N--CA 1.421 -1.902 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 175.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 46.7 mm -112.31 90.71 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.282 -2.349 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 53.8 t 68.41 76.79 0.25 Allowed 'General case' 0 C--O 1.244 0.782 0 O-C-N 124.523 1.139 . . . . 0.0 109.824 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 154.15 -167.15 32.26 Favored Glycine 0 N--CA 1.429 -1.801 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.744 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.46 151.87 20.61 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.562 ' HA ' ' O ' ' A' 1535 ' ' ARG . 19.2 t-20 -95.33 120.16 35.08 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.413 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.14 -6.27 46.7 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -94.54 4.36 53.95 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 76.2 m -135.84 172.42 7.15 Favored Pre-proline 0 N--CA 1.427 -1.624 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -60.25 137.34 74.33 Favored 'Trans proline' 0 C--O 1.25 1.104 0 C-N-CA 121.924 1.749 . . . . 0.0 111.381 173.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.17 103.21 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 123.13 2.554 . . . . 0.0 111.507 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 147.58 -29.55 1.45 Allowed Glycine 0 N--CA 1.434 -1.474 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 -176.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 59.6 t -88.18 138.85 18.34 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -105.23 -24.13 7.32 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.685 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -150.46 135.31 17.54 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.87 0.335 . . . . 0.0 110.92 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 80.8 m -126.43 133.81 51.15 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 79.1 t80 -101.56 114.67 28.91 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 94.09 161.36 35.1 Favored Glycine 0 N--CA 1.423 -2.179 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.953 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -67.44 -19.22 65.34 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.43 0.633 . . . . 0.0 109.836 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 20.4 m -69.0 -13.5 62.49 Favored 'General case' 0 CA--C 1.561 1.374 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.637 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 64.47 43.76 4.4 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 124.828 1.251 . . . . 0.0 112.437 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 70.8 mt -74.36 114.57 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 24.7 p -63.12 117.12 6.07 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.007 0.432 . . . . 0.0 111.772 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.559 HG23 ' HB3' ' A' 1606 ' ' TYR . 15.0 p -112.76 18.39 7.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 CA-C-O 122.447 1.118 . . . . 0.0 108.642 178.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 168.42 141.49 3.21 Favored Glycine 0 N--CA 1.43 -1.755 0 C-N-CA 120.035 -1.079 . . . . 0.0 113.416 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.414 ' HB2' ' HB3' ' A' 1594 ' ' ASP . 15.9 tptm -91.2 150.7 21.25 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 177.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -55.97 115.49 2.43 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 124.263 1.025 . . . . 0.0 113.026 -175.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -128.11 142.43 51.2 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -178.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 63.4 mttp -126.09 7.53 7.25 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.645 0.736 . . . . 0.0 110.524 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -86.39 91.37 8.49 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.835 0.826 . . . . 0.0 109.861 -177.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.514 HD21 ' HB3' ' A' 1588 ' ' LEU . 1.7 tt -75.47 129.0 36.56 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -118.06 134.17 55.23 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-O 120.818 0.342 . . . . 0.0 111.034 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 40.1 t80 -101.55 99.84 10.19 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 16.7 m -134.86 121.83 35.74 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.254 -173.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 26.7 t70 58.69 48.17 11.96 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 122.813 1.292 . . . . 0.0 110.428 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 28.1 tp60 63.06 10.74 4.68 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 113.287 -1.779 . . . . 0.0 113.877 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 7.3 p -123.5 139.9 48.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.867 -0.521 . . . . 0.0 109.924 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.514 ' HB3' HD21 ' A' 1581 ' ' LEU . 84.6 mt -84.22 121.41 27.44 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 175.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -123.05 130.94 53.43 Favored 'General case' 0 C--N 1.28 -2.419 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.1 -172.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 69.5 mt -115.83 122.8 46.46 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 172.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 59.3 t -118.87 113.63 42.24 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 CA-C-O 121.402 0.62 . . . . 0.0 109.75 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -95.27 98.1 10.35 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -85.72 170.02 12.87 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 177.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . 0.414 ' HB3' ' HB2' ' A' 1576 ' ' LYS . 27.1 t70 65.6 87.75 0.11 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.822 1.249 . . . . 0.0 112.469 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -128.44 -153.64 8.11 Favored Glycine 0 N--CA 1.424 -2.138 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 177.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 42.3 m -70.01 141.33 89.22 Favored Pre-proline 0 C--N 1.296 -1.733 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.8 138.55 45.14 Favored 'Trans proline' 0 C--O 1.243 0.733 0 C-N-CA 122.14 1.893 . . . . 0.0 110.372 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 56.0 m . . . . . 0 C--N 1.302 -1.483 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.062 -179.45 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 N--CA 1.436 -1.158 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 17.0 m -133.94 150.53 51.3 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.559 ' HB3' HG23 ' A' 1574 ' ' VAL . 79.6 m-85 -64.39 122.55 16.99 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.844 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -119.55 151.02 39.32 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.143 -177.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 13.3 p -129.35 136.1 49.57 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.107 0.48 . . . . 0.0 110.985 176.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 63.3 t -122.74 113.65 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.732 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 56.0 mt -99.8 114.11 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.722 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 23.1 t -102.91 115.44 30.61 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.147 -176.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.498 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 91.3 m-85 -98.35 99.82 11.04 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.4 t -95.17 140.08 17.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.748 -173.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 5.8 t -60.73 112.79 2.16 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.754 -1.112 . . . . 0.0 111.61 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -138.22 88.47 15.08 Favored Pre-proline 0 C--N 1.302 -1.491 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 172.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . 0.554 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 50.1 Cg_exo . . . . . 0 N--CA 1.488 1.161 0 C-N-CA 123.695 2.93 . . . . 0.0 111.981 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 . . . . . 0 N--CA 1.434 -1.267 0 N-CA-C 104.611 -2.366 . . . . 0.0 104.611 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -68.23 121.74 8.74 Favored 'Trans proline' 0 C--O 1.257 1.436 0 C-N-CA 121.223 1.282 . . . . 0.0 112.373 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 23.0 ttt -112.81 133.21 54.92 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . 0.454 ' HG ' ' CE1' ' A' 1638 ' ' PHE . 1.1 tt -78.97 111.41 15.14 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 46.9 mm -90.22 -44.41 14.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 CA-C-O 121.055 0.455 . . . . 0.0 111.425 -174.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.8 m -146.04 131.36 18.55 Favored 'General case' 0 C--N 1.296 -1.729 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.065 -176.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.65 101.09 11.9 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 105.207 -2.146 . . . . 0.0 105.207 175.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -99.16 103.23 15.11 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.219 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -84.49 -19.07 33.89 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-O 121.002 0.429 . . . . 0.0 110.341 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -62.91 -50.44 70.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.398 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 21.9 p -113.29 8.73 18.16 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 121.65 0.738 . . . . 0.0 111.243 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.411 ' HB3' ' CD1' ' A' 1606 ' ' TYR . 65.8 m 59.77 63.97 1.39 Allowed 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 113.983 -1.462 . . . . 0.0 111.625 177.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 27.4 m -133.36 126.47 31.39 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.657 0.742 . . . . 0.0 111.628 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.47 ' HB3' ' CE2' ' A' 1638 ' ' PHE . 4.2 mm? -94.71 118.05 31.11 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.663 177.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -102.69 113.78 27.47 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.349 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' 1636 ' ' LEU . 88.5 m-85 -117.73 141.14 48.74 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 36.0 t -122.89 136.65 54.94 Favored 'General case' 0 C--N 1.289 -2.031 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -119.89 126.94 52.16 Favored 'General case' 0 N--CA 1.418 -2.042 0 N-CA-C 104.932 -2.248 . . . . 0.0 104.932 177.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 70.5 m80 -104.31 108.74 20.28 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 7.3 t -140.53 143.15 31.62 Favored Pre-proline 0 C--N 1.294 -1.808 0 CA-C-O 121.319 0.58 . . . . 0.0 110.134 -176.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.554 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 65.2 Cg_endo -72.49 -14.06 27.7 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 123.225 2.617 . . . . 0.0 111.261 176.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 54.0 tp -74.52 -22.74 58.89 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.108 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -95.98 27.66 3.5 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.814 0.816 . . . . 0.0 109.609 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 19.0 t . . . . . 0 N--CA 1.417 -2.101 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -177.331 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 58.8 m . . . . . 0 CA--C 1.507 -0.703 0 CA-C-O 121.395 0.617 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.501 ' HA ' ' O ' ' A' 1527 ' ' PHE . 23.1 pt20 -141.9 142.4 33.07 Favored 'General case' 0 N--CA 1.426 -1.637 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.278 -175.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 9.8 p -150.47 140.63 16.08 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.426 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 32.5 m -99.88 118.98 37.47 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 121.061 0.458 . . . . 0.0 109.926 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -107.84 107.86 60.78 Favored Pre-proline 0 C--N 1.306 -1.296 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.423 176.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.65 -26.16 79.87 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.366 2.711 . . . . 0.0 113.696 -177.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 23.2 t -68.05 -27.8 66.83 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 120.824 0.345 . . . . 0.0 110.704 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 1.8 p -100.74 -33.45 10.25 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-O 121.341 0.591 . . . . 0.0 110.96 176.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 85.44 14.55 68.18 Favored Glycine 0 CA--C 1.502 -0.749 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.57 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -118.04 136.68 53.4 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.4 tt -87.21 105.3 17.12 Favored 'General case' 0 N--CA 1.417 -2.087 0 N-CA-C 104.443 -2.428 . . . . 0.0 104.443 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.501 ' O ' ' HA ' ' A' 1517 ' ' GLN . 97.0 m-85 -82.22 118.28 22.98 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -177.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -137.22 144.64 42.91 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.1 mt -123.42 23.04 9.11 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.427 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 8.6 t -74.46 -20.66 59.93 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.277 -174.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 50.3 m -79.23 -7.65 58.42 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 121.573 -0.705 . . . . 0.0 110.829 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 82.7 mt -105.59 8.95 33.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.765 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . 0.589 ' HA ' ' O ' ' A' 1552 ' ' ILE . 46.7 m -65.72 103.54 0.9 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.516 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -110.35 119.65 5.39 Favored Glycine 0 N--CA 1.44 -1.096 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -75.44 -29.35 59.65 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 117.433 0.617 . . . . 0.0 111.347 -175.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . 0.469 ' HA ' ' HG2' ' A' 1557 ' ' GLU . . . -86.81 -12.11 48.94 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 121.802 0.81 . . . . 0.0 109.06 176.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 68.93 -164.45 49.63 Favored Glycine 0 N--CA 1.421 -2.35 0 CA-C-N 113.9 -1.5 . . . . 0.0 112.761 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.59 138.48 54.32 Favored 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 23.2 m -97.96 107.83 20.4 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 120.166 -0.613 . . . . 0.0 109.467 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -84.38 115.36 22.48 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -66.29 135.17 54.04 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 121.03 0.443 . . . . 0.0 111.176 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 75.2 t80 . . . . . 0 C--N 1.3 -1.573 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.416 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -2.414 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 48.6 t -104.94 117.64 50.95 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -89.03 103.79 16.38 Favored 'General case' 0 C--N 1.289 -2.044 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -177.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 18.1 ptm -119.59 116.75 26.68 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.426 -173.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 47.8 t -89.98 140.03 30.03 Favored 'General case' 0 N--CA 1.433 -1.275 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . 0.589 ' O ' ' HA ' ' A' 1533 ' ' SER . 67.4 mt -103.94 115.58 46.15 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.538 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 11.8 t 64.86 45.62 3.2 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 124.341 1.026 . . . . 0.0 111.569 176.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 173.1 -179.05 44.77 Favored Glycine 0 N--CA 1.436 -1.344 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -88.46 149.5 23.64 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -90.3 128.79 36.52 Favored 'General case' 0 C--N 1.292 -1.891 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . 0.469 ' HG2' ' HA ' ' A' 1536 ' ' ALA . 9.2 pt-20 -71.59 -12.62 61.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.004 0.43 . . . . 0.0 111.705 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . 0.422 ' N ' HD22 ' A' 1558 ' ' ASN . 0.8 OUTLIER -87.64 4.6 43.27 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 175.573 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 74.1 m -131.85 162.96 53.27 Favored Pre-proline 0 N--CA 1.434 -1.247 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.739 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -61.13 142.68 97.63 Favored 'Trans proline' 0 C--O 1.248 0.986 0 C-N-CA 122.456 2.104 . . . . 0.0 110.35 173.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -55.83 100.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 123.733 2.955 . . . . 0.0 113.011 -176.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 146.73 -38.21 1.15 Allowed Glycine 0 N--CA 1.428 -1.87 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 38.5 t -82.6 132.85 30.42 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -99.67 -30.98 6.23 Favored Glycine 0 N--CA 1.437 -1.252 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.804 -178.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -135.73 132.24 36.61 Favored 'General case' 0 N--CA 1.436 -1.166 0 O-C-N 122.45 -0.441 . . . . 0.0 110.938 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 73.5 m -127.0 134.46 50.34 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.917 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 32.4 t80 -91.45 127.37 36.87 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 78.35 -172.32 55.21 Favored Glycine 0 N--CA 1.433 -1.501 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.806 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -90.6 -18.19 25.61 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 4.1 m -72.52 -1.75 17.1 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-O 121.752 0.787 . . . . 0.0 111.845 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 59.71 48.46 9.28 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.781 1.232 . . . . 0.0 111.019 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 67.1 mt -78.87 114.9 20.23 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 22.3 p -63.39 116.59 5.67 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-O 121.228 0.537 . . . . 0.0 111.835 -175.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.462 HG23 ' HB3' ' A' 1606 ' ' TYR . 12.7 p -112.84 11.77 8.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 CA-C-O 122.929 1.347 . . . . 0.0 108.362 177.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . 0.514 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 166.3 129.97 1.11 Allowed Glycine 0 N--CA 1.418 -2.517 0 C-N-CA 119.669 -1.253 . . . . 0.0 113.846 177.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.486 ' HB2' ' HB3' ' A' 1594 ' ' ASP . 23.5 tptm -77.41 151.68 34.66 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 174.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -65.23 113.14 3.8 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 122.355 0.262 . . . . 0.0 110.654 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -119.33 160.1 22.9 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 122.717 0.407 . . . . 0.0 110.068 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 24.2 pttm -128.97 8.83 5.71 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.177 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -77.37 91.43 3.85 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.978 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' 1588 ' ' LEU . 55.8 tp -87.12 126.85 35.04 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.824 -178.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -112.74 134.18 54.39 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.458 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . 0.44 ' CZ ' ' HA ' ' A' 1586 ' ' GLN . 86.6 t80 -108.33 103.63 12.84 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 171.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 2.7 p -142.11 127.74 17.89 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.301 -173.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 63.73 43.26 5.68 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 122.745 1.26 . . . . 0.0 110.442 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . 0.44 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 54.8 mt-30 62.63 15.97 8.45 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 114.067 -1.424 . . . . 0.0 113.71 177.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 34.5 m -132.3 157.3 43.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.517 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 81.4 mt -95.71 122.51 38.55 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -113.65 124.2 51.75 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.055 -175.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 53.7 mt -114.89 123.14 48.41 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 172.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 47.3 t -114.39 112.12 38.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . 0.514 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 27.4 m-85 -89.39 98.99 12.08 Favored 'General case' 0 N--CA 1.42 -1.969 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 65.9 mttm -88.74 174.81 7.79 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.39 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . 0.486 ' HB3' ' HB2' ' A' 1576 ' ' LYS . 15.4 t70 65.33 93.37 0.07 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.389 1.075 . . . . 0.0 110.649 -175.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -141.32 -173.84 13.94 Favored Glycine 0 N--CA 1.429 -1.8 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 49.1 m -67.58 131.72 92.92 Favored Pre-proline 0 C--N 1.305 -1.344 0 C-N-CA 122.784 0.434 . . . . 0.0 110.414 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.06 130.06 32.87 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.712 2.275 . . . . 0.0 110.754 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 68.8 m . . . . . 0 C--N 1.302 -1.482 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.279 -178.458 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 80.8 mt . . . . . 0 N--CA 1.439 -0.977 0 CA-C-O 120.758 0.314 . . . . 0.0 110.173 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 50.1 m -135.78 140.45 44.3 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.489 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 95.4 m-85 -55.54 119.4 5.6 Favored 'General case' 0 CA--C 1.517 -0.323 0 O-C-N 124.267 0.98 . . . . 0.0 111.544 -176.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -128.27 151.73 48.95 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.072 -175.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 31.3 t -117.8 131.32 56.59 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.154 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 87.6 t -118.97 111.98 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 53.4 mt -102.96 130.7 52.66 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 15.9 m -122.06 107.68 12.49 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 121.146 0.498 . . . . 0.0 110.525 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.517 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 80.3 m-85 -85.7 117.13 24.39 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 38.6 t -104.07 139.78 24.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 11.8 t -64.42 126.94 29.42 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 123.726 0.81 . . . . 0.0 112.27 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -144.09 100.11 4.97 Favored Pre-proline 0 N--CA 1.433 -1.276 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo . . . . . 0 CA--C 1.53 0.319 0 C-N-CA 122.533 2.155 . . . . 0.0 110.676 177.296 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 . . . . . 0 N--CA 1.44 -0.971 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -75.8 122.31 6.76 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 121.88 1.72 . . . . 0.0 110.941 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 20.2 ptp -122.82 130.19 52.59 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.725 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 2.1 tt -83.94 113.89 21.3 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.3 mm -99.97 -36.83 5.42 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-O 120.904 0.383 . . . . 0.0 111.853 -174.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 19.5 m -144.29 135.05 25.0 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 121.986 -0.446 . . . . 0.0 110.539 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.426 HD23 ' HG ' ' A' 1636 ' ' LEU . 3.0 tm? -118.53 102.89 9.23 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.28 90.58 3.36 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -75.43 -22.12 57.61 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.979 -176.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -65.19 -35.55 81.41 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.014 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 36.6 p -105.71 11.93 31.57 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.39 0.614 . . . . 0.0 110.251 174.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.489 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 77.3 m 55.58 39.41 30.98 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.16 178.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 39.8 m -119.43 125.25 48.51 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-O 121.073 0.463 . . . . 0.0 111.313 -177.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.426 ' HG ' HD23 ' A' 1629 ' ' LEU . 6.0 mp -105.48 124.58 49.8 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -99.1 110.07 22.7 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-O 120.929 0.395 . . . . 0.0 110.869 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -108.97 144.38 37.01 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 22.7 t -127.69 156.35 42.52 Favored 'General case' 0 N--CA 1.405 -2.717 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -143.06 143.35 31.84 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -107.99 111.65 23.83 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.2 t -138.28 143.52 39.28 Favored Pre-proline 0 C--N 1.308 -1.197 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.461 ' HA ' ' SG ' ' A' 1646 ' ' CYS . 67.5 Cg_endo -75.3 -4.85 15.92 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.007 2.471 . . . . 0.0 112.724 178.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 95.6 mt -80.98 -16.21 54.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.336 0.589 . . . . 0.0 110.689 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -94.24 23.04 5.36 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.09 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . 0.461 ' SG ' ' HA ' ' A' 1643 ' ' PRO . 77.5 m . . . . . 0 C--N 1.299 -1.596 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.829 -176.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . 0.537 ' SG ' ' HB2' ' A' 1579 ' ' LYS . 87.0 m . . . . . 0 C--O 1.25 1.09 0 CA-C-O 122.19 0.995 . . . . 0.0 111.476 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' A' 1527 ' ' PHE . 4.4 pt20 -147.7 135.91 21.42 Favored 'General case' 0 N--CA 1.417 -2.115 0 CA-C-N 113.916 -1.493 . . . . 0.0 108.634 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 40.3 t -125.08 137.27 58.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 9.0 m -107.22 133.58 51.59 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 44.1 p30 -97.11 126.75 41.07 Favored Pre-proline 0 C--O 1.213 -0.82 0 C-N-CA 119.557 -0.857 . . . . 0.0 109.892 174.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.56 -12.52 24.76 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 122.158 1.906 . . . . 0.0 113.194 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 20.2 t -71.35 -65.81 0.7 Allowed 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.34 -5.22 40.5 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 72.46 31.58 63.08 Favored Glycine 0 CA--C 1.5 -0.884 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.178 174.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 29.8 m170 -107.05 149.78 27.22 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.061 0.458 . . . . 0.0 112.109 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 65.9 tp -107.39 126.21 52.19 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.377 -175.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.435 ' O ' ' HA ' ' A' 1517 ' ' GLN . 86.6 m-85 -108.69 115.3 29.83 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -128.89 154.57 46.38 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.44 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.5 mt -123.21 24.91 8.64 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.609 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 14.9 m -66.71 -27.75 67.89 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.651 -173.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 23.9 m -81.8 -7.6 59.61 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.02 0.438 . . . . 0.0 110.998 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 87.8 mt -106.82 0.16 23.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.409 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . 0.513 ' HA ' ' O ' ' A' 1552 ' ' ILE . 26.0 t -69.06 144.39 54.0 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.365 -177.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -167.25 146.94 11.19 Favored Glycine 0 N--CA 1.434 -1.472 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 59.0 mtp85 -84.08 -39.37 19.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.918 0.422 . . . . 0.0 111.415 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -84.04 -32.92 24.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.766 0.793 . . . . 0.0 108.984 175.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . 0.442 ' HA3' ' HA ' ' A' 1551 ' ' SER . . . 72.84 -138.44 25.76 Favored Glycine 0 N--CA 1.428 -1.871 0 CA-C-N 114.082 -1.417 . . . . 0.0 113.095 174.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 84.5 t80 -120.02 146.32 45.99 Favored 'General case' 0 C--N 1.288 -2.082 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 51.1 m -116.6 108.54 16.09 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-O 121.221 0.534 . . . . 0.0 110.071 177.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -96.1 106.65 18.86 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . 0.499 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -90.89 110.78 22.01 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.047 -176.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . 0.462 ' OH ' ' HB2' ' A' 1626 ' ' LEU . 98.3 m-85 . . . . . 0 C--N 1.299 -1.62 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 176.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . 0.499 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . . . . . . 0 N--CA 1.426 -2.002 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 17.7 t -88.28 111.93 23.06 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -89.57 104.05 16.64 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 15.1 ptm -119.93 113.79 21.09 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-O 121.422 0.63 . . . . 0.0 110.641 -173.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . 0.442 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 24.5 m -88.49 152.29 21.97 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . 0.513 ' O ' ' HA ' ' A' 1533 ' ' SER . 44.2 mm -111.83 104.57 17.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 -177.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 46.0 t 63.48 68.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.125 0.891 . . . . 0.0 110.178 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 165.58 -170.53 40.47 Favored Glycine 0 N--CA 1.435 -1.394 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.85 145.79 28.12 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.102 0.477 . . . . 0.0 110.114 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -85.55 110.81 19.48 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.422 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -79.72 3.25 19.87 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.307 -0.86 . . . . 0.0 113.29 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -91.22 -6.48 53.32 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 177.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' 1571 ' ' ARG . 83.2 m -130.23 179.25 1.38 Allowed Pre-proline 0 C--N 1.294 -1.809 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 178.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -57.19 119.88 7.43 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 121.412 1.408 . . . . 0.0 110.695 174.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -51.21 107.07 0.15 Allowed 'Trans proline' 0 C--N 1.366 1.457 0 C-N-CA 123.212 2.608 . . . . 0.0 111.55 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 152.71 -32.0 0.83 Allowed Glycine 0 N--CA 1.431 -1.687 0 N-CA-C 107.967 -2.053 . . . . 0.0 107.967 -176.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 54.7 t -78.04 143.58 12.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 106.452 -1.684 . . . . 0.0 106.452 172.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -107.32 -20.88 8.32 Favored Glycine 0 C--N 1.316 -0.553 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.843 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -151.99 139.03 19.11 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 69.9 m -127.47 133.81 49.87 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.658 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 72.5 t80 -103.45 118.18 36.16 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.661 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 89.32 177.27 45.92 Favored Glycine 0 N--CA 1.437 -1.259 0 CA-C-N 115.808 -0.633 . . . . 0.0 113.612 172.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -72.78 -24.52 60.95 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 123.209 0.604 . . . . 0.0 110.11 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 24.9 m -72.96 -14.58 61.48 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-O 121.924 0.869 . . . . 0.0 109.572 174.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . 0.525 ' HB3' ' SG ' ' A' 1559 ' ' CYS . 99.2 mtt180 57.26 47.58 16.63 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 126.044 1.738 . . . . 0.0 112.103 176.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.84 126.15 23.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.203 -1.362 . . . . 0.0 109.209 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 37.4 p -61.92 111.63 1.98 Allowed 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 121.298 0.571 . . . . 0.0 111.287 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.49 HG23 ' HB3' ' A' 1606 ' ' TYR . 12.8 p -109.83 30.41 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-O 123.262 1.506 . . . . 0.0 108.384 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . 0.539 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 148.29 138.64 3.06 Favored Glycine 0 N--CA 1.413 -2.87 0 CA-C-N 114.037 -1.438 . . . . 0.0 112.926 176.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 49.3 tptt -78.44 159.02 28.51 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 175.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -62.54 86.32 0.02 OUTLIER 'General case' 0 C--O 1.248 0.981 0 CA-C-O 121.409 0.623 . . . . 0.0 111.126 177.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -102.23 135.21 44.23 Favored 'General case' 0 CA--C 1.493 -1.228 0 C-N-CA 124.419 1.088 . . . . 0.0 109.125 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . 0.537 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 0.0 OUTLIER -138.19 38.6 2.31 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-O 122.435 1.112 . . . . 0.0 110.388 -179.052 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -97.21 92.08 5.84 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.542 HD21 ' HB3' ' A' 1588 ' ' LEU . 2.6 tt -76.66 123.45 26.15 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -176.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -102.93 129.96 49.83 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' 1586 ' ' GLN . 80.6 t80 -98.47 100.56 11.82 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 176.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 19.4 m -119.89 106.1 18.41 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.967 -174.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 35.7 t70 56.11 49.55 15.35 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 122.11 0.957 . . . . 0.0 110.137 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . 0.561 ' HA ' ' CE1' ' A' 1583 ' ' TYR . 24.8 tt0 60.94 26.75 16.66 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-N 114.437 -1.256 . . . . 0.0 111.567 -179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 97.3 t -119.45 132.26 69.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.571 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 96.4 mt -89.69 113.5 25.0 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -110.01 131.0 55.45 Favored 'General case' 0 C--N 1.288 -2.081 0 CA-C-O 120.833 0.349 . . . . 0.0 111.529 -177.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 70.0 mt -114.62 123.28 48.92 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 171.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 6.4 p -120.09 111.05 30.88 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-O 121.907 0.861 . . . . 0.0 110.823 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . 0.539 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 97.7 m-85 -89.95 100.46 13.27 Favored 'General case' 0 N--CA 1.422 -1.83 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.012 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -95.94 173.1 7.61 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.217 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 18.4 t70 62.51 87.46 0.1 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.065 1.346 . . . . 0.0 112.09 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -127.57 -156.86 9.23 Favored Glycine 0 N--CA 1.431 -1.635 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 44.3 m -68.63 131.31 91.44 Favored Pre-proline 0 C--N 1.309 -1.163 0 CA-C-N 117.302 0.551 . . . . 0.0 110.411 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -63.78 114.57 2.64 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.866 2.377 . . . . 0.0 110.961 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 55.7 m . . . . . 0 C--N 1.299 -1.623 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.343 -179.788 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.432 -1.346 0 CA-C-O 122.055 0.931 . . . . 0.0 112.659 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 33.7 p 168.36 119.74 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 113.719 -1.582 . . . . 0.0 108.687 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.49 ' HB3' HG23 ' A' 1574 ' ' VAL . 42.4 m-85 -70.3 121.94 18.61 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.981 172.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.57 157.7 36.47 Favored 'General case' 0 C--O 1.248 1.011 0 C-N-CA 123.242 0.617 . . . . 0.0 111.11 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 23.1 t -134.67 128.53 33.23 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.182 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 57.9 t -116.84 109.91 29.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 48.2 mt -101.69 119.51 50.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 17.7 t -108.05 102.8 11.93 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.571 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 93.9 m-85 -89.69 101.51 14.2 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 58.5 t -92.59 137.44 22.25 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.702 -176.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 11.0 t -67.63 107.16 2.43 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 124.052 0.845 . . . . 0.0 111.242 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . 0.549 ' HA ' ' NE ' ' A' 1615 ' ' ARG . 4.4 mmp_? -136.43 100.99 10.12 Favored Pre-proline 0 C--N 1.312 -1.055 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.56 175.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo . . . . . 0 CA--C 1.541 0.873 0 C-N-CA 122.832 2.354 . . . . 0.0 111.372 176.937 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.422 ' HB3' ' CE3' ' A' 1640 ' ' TRP . 87.9 Cg_endo -82.79 161.09 16.3 Favored 'Trans proline' 0 C--O 1.248 1.006 0 C-N-CA 122.776 2.317 . . . . 0.0 111.527 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -140.45 143.93 35.83 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-O 121.236 0.541 . . . . 0.0 111.122 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . 0.462 ' HB2' ' OH ' ' A' 1542 ' ' TYR . 2.1 tt -80.7 103.25 10.42 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.8 mm -79.59 -48.79 20.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.225 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 33.4 t -137.47 129.37 28.88 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 121.249 0.547 . . . . 0.0 110.124 -176.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.422 HD23 HD11 ' A' 1626 ' ' LEU . 1.0 OUTLIER -107.93 99.65 9.08 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 -179.75 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -101.75 98.16 8.46 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.541 177.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 26.6 tptp -85.06 -4.89 59.32 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.518 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -74.17 -51.2 16.25 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.659 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 13.1 p -112.94 14.99 19.82 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 121.498 0.666 . . . . 0.0 110.912 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.46 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 60.9 m 57.13 54.88 6.43 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 114.226 -1.352 . . . . 0.0 112.263 176.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 27.8 m -125.82 110.79 14.1 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -95.92 126.04 40.9 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.92 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -101.97 114.19 28.08 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.613 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -115.79 130.13 56.72 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 13.2 t -113.02 142.54 45.6 Favored 'General case' 0 N--CA 1.415 -2.195 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 177.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . 0.422 ' CE3' ' HB3' ' A' 1624 ' ' PRO . 2.0 t90 -129.25 126.41 39.02 Favored 'General case' 0 N--CA 1.421 -1.903 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 47.2 m80 -97.56 101.65 13.22 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 7.9 t -123.66 142.59 39.55 Favored Pre-proline 0 C--N 1.295 -1.765 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.423 -174.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -79.43 -3.74 13.19 Favored 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 122.633 2.222 . . . . 0.0 110.947 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 91.1 mt -84.39 -7.49 59.29 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 121.462 0.649 . . . . 0.0 110.361 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -95.2 7.36 46.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.887 0.851 . . . . 0.0 108.833 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 83.2 m . . . . . 0 N--CA 1.429 -1.518 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.33 -179.278 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . 0.637 ' SG ' ' HB2' ' A' 1529 ' ' LEU . 10.7 t . . . . . 0 N--CA 1.448 -0.555 0 CA-C-O 122.049 0.928 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -152.02 130.06 11.84 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.06 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 65.8 t -119.6 136.66 56.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 28.0 m -101.74 125.04 48.33 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 43.5 t30 -98.44 113.21 63.9 Favored Pre-proline 0 C--N 1.315 -0.895 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.68 -16.02 53.13 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.083 2.522 . . . . 0.0 113.954 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.3 m -66.64 -40.86 88.89 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.697 0.284 . . . . 0.0 110.989 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 13.9 p -109.42 -30.87 7.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.57 0.7 . . . . 0.0 111.654 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 92.18 6.97 64.35 Favored Glycine 0 N--CA 1.437 -1.248 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -178.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -90.76 144.31 25.85 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -176.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 64.2 tp -97.37 132.5 43.03 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -105.37 114.56 28.81 Favored 'General case' 0 CA--C 1.485 -1.523 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.28 133.21 53.79 Favored 'General case' 0 C--N 1.292 -1.915 0 C-N-CA 118.318 -1.353 . . . . 0.0 109.647 177.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . 0.637 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 96.1 mt -106.5 9.47 31.58 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 171.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.8 m -63.76 -31.21 72.31 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 124.682 1.193 . . . . 0.0 108.87 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 29.2 m -63.7 -24.21 67.68 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.843 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 96.4 mt -104.47 -13.47 16.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.658 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 20.4 t -62.54 114.62 3.65 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 121.815 0.817 . . . . 0.0 109.693 -176.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -154.31 151.24 22.95 Favored Glycine 0 N--CA 1.409 -3.139 0 N-CA-C 108.411 -1.876 . . . . 0.0 108.411 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -84.37 -19.56 33.39 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 123.89 0.406 . . . . 0.0 111.747 -173.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -88.08 -29.25 20.78 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 174.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 64.4 -115.99 8.52 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 114.047 -1.433 . . . . 0.0 113.276 174.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 55.9 t80 -146.69 141.51 26.89 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' 1548 ' ' VAL . 27.6 m -120.58 107.51 12.92 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -93.39 134.8 35.26 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.47 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -112.61 137.92 50.16 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 95.1 m-85 . . . . . 0 C--N 1.312 -1.06 0 CA-C-O 120.839 0.352 . . . . 0.0 110.546 -178.414 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.487 -1.68 0 N-CA-C 108.33 -1.908 . . . . 0.0 108.33 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' 1539 ' ' THR . 8.1 p -135.16 123.98 40.98 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 CA-C-N 117.91 0.855 . . . . 0.0 111.813 -177.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' 1565 ' ' ALA . 58.9 m-85 -99.37 113.99 26.63 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 177.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . 0.541 ' O ' ' HA3' ' A' 1537 ' ' GLY . 22.3 ptp -124.26 131.92 53.55 Favored 'General case' 0 C--N 1.289 -2.033 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.298 -179.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 21.4 t -94.97 149.87 20.78 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 106.301 -1.741 . . . . 0.0 106.301 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 50.0 mm -105.31 104.89 17.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.904 -177.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 73.4 m 67.95 43.62 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.381 -1.281 . . . . 0.0 112.152 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 179.01 -163.8 31.65 Favored Glycine 0 N--CA 1.434 -1.454 0 C-N-CA 120.466 -0.874 . . . . 0.0 111.151 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.26 147.7 22.93 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 120.732 0.301 . . . . 0.0 110.632 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -91.73 127.77 37.32 Favored 'General case' 0 CA--C 1.496 -1.129 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -174.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.26 -8.76 56.58 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -174.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -88.96 -15.45 34.2 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 176.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 86.0 m -105.23 160.36 26.26 Favored Pre-proline 0 C--N 1.303 -1.437 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.84 -176.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' 1561 ' ' PRO . 85.0 Cg_exo -54.14 143.9 60.99 Favored 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 123.242 2.628 . . . . 0.0 111.1 175.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 77.0 Cg_exo -50.33 101.41 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 124.24 3.293 . . . . 0.0 113.452 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 128.98 -18.89 5.55 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.016 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 58.5 t -88.49 132.9 32.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -105.04 -21.33 9.04 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.996 -176.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' 1549 ' ' TYR . . . -142.68 134.27 26.58 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 120.895 0.379 . . . . 0.0 110.831 -178.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 84.5 m -128.32 137.67 52.05 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.056 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 89.0 t80 -122.5 140.08 53.15 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.263 0.554 . . . . 0.0 111.173 -176.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 95.41 171.76 36.48 Favored Glycine 0 N--CA 1.431 -1.689 0 CA-C-N 115.39 -0.823 . . . . 0.0 113.065 173.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -79.63 -14.8 58.55 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 121.699 0.761 . . . . 0.0 109.758 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 5.2 m -89.32 -1.63 58.13 Favored 'General case' 0 CA--C 1.557 1.248 0 CA-C-O 122.425 1.107 . . . . 0.0 109.269 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 52.47 49.93 19.37 Favored 'General case' 0 C--N 1.361 1.075 0 CA-C-N 113.894 -1.503 . . . . 0.0 112.214 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 77.1 mt -70.77 131.08 34.78 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.298 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 2.7 p -65.93 110.96 3.08 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.071 0.462 . . . . 0.0 110.265 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.452 HG23 ' HB3' ' A' 1606 ' ' TYR . 7.1 p -105.65 1.84 10.26 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.113 -174.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 179.87 139.66 3.84 Favored Glycine 0 N--CA 1.439 -1.125 0 C-N-CA 119.883 -1.151 . . . . 0.0 113.477 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 45.0 tptt -77.59 153.58 33.12 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 107.778 -1.194 . . . . 0.0 107.778 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -67.67 100.43 0.9 Allowed 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.903 0.481 . . . . 0.0 111.734 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 33.9 t30 -113.29 136.28 52.92 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.61 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.74 31.31 4.98 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.427 0.632 . . . . 0.0 111.983 -179.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -92.74 91.45 7.5 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' 1588 ' ' LEU . 40.9 tp -78.66 112.82 16.15 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.473 -177.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -106.86 129.27 54.73 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.495 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 84.5 t80 -96.7 105.02 17.06 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 174.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 17.0 m -136.11 138.61 47.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -176.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 32.8 t70 53.67 42.06 31.93 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 122.269 1.033 . . . . 0.0 110.678 178.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 7.1 mp0 66.11 8.7 5.69 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 114.623 -1.172 . . . . 0.0 113.556 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 19.3 m -124.56 161.83 27.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.167 0 O-C-N 121.61 -0.682 . . . . 0.0 110.51 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.549 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 0.5 OUTLIER -97.9 123.81 42.04 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.129 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -123.12 123.62 41.24 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -175.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 72.4 mt -116.77 123.13 46.4 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.591 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 60.1 t -112.11 112.12 39.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 CA-C-O 121.189 0.519 . . . . 0.0 110.042 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.4 94.39 7.79 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -106.69 175.55 5.46 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.628 -174.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 38.5 t70 61.53 60.37 1.67 Allowed 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 125.335 1.454 . . . . 0.0 111.749 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -87.91 -155.48 28.98 Favored Glycine 0 N--CA 1.416 -2.686 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 171.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 21.8 m -71.21 147.4 93.27 Favored Pre-proline 0 C--N 1.284 -2.263 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -59.97 135.02 60.22 Favored 'Trans proline' 0 C--O 1.248 1.02 0 C-N-CA 122.507 2.138 . . . . 0.0 110.068 174.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 34.2 m . . . . . 0 C--N 1.287 -2.133 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.567 -178.285 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 N--CA 1.438 -1.047 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 5.9 m -118.46 140.12 50.35 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.452 ' HB3' HG23 ' A' 1574 ' ' VAL . 85.8 m-85 -61.2 140.0 58.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -140.62 139.32 34.85 Favored 'General case' 0 C--O 1.245 0.856 0 O-C-N 123.841 0.713 . . . . 0.0 109.727 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 23.6 m -111.66 125.79 54.33 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.983 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 64.4 t -108.75 104.54 17.24 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 60.8 mt -99.79 116.48 43.12 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 20.1 m -111.11 116.62 31.42 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.993 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.549 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 65.1 m-85 -92.36 113.08 25.25 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 31.6 t -109.3 144.12 18.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -178.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 8.8 t -60.68 125.09 22.41 Favored 'General case' 0 C--O 1.249 1.053 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -145.66 95.38 4.94 Favored Pre-proline 0 N--CA 1.432 -1.343 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 172.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo . . . . . 0 CA--C 1.536 0.612 0 C-N-CA 122.83 2.353 . . . . 0.0 112.447 -178.36 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 . . . . . 0 N--CA 1.433 -1.286 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.75 122.61 7.43 Favored 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 121.883 1.722 . . . . 0.0 109.986 175.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 84.3 mtp -105.78 147.15 28.95 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.8 tt -90.39 100.5 13.32 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.0 mm -80.65 -46.0 21.4 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.315 -174.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . 0.408 ' HB2' ' CD1' ' A' 1637 ' ' PHE . 14.7 m -137.63 126.56 24.14 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.902 -178.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.18 95.54 5.91 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 177.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.4 t70 -100.91 101.36 12.16 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.178 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 64.8 mttp -84.47 1.32 46.07 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.78 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -77.93 -46.62 20.7 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 15.8 p -117.09 11.79 14.31 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.568 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.405 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 80.6 m 57.92 56.39 4.74 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.267 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 31.1 m -132.36 124.87 29.59 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.033 0.444 . . . . 0.0 110.417 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.22 121.13 43.2 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . 0.408 ' CD1' ' HB2' ' A' 1628 ' ' SER . 95.6 m-85 -95.19 108.25 20.37 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.057 -178.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -107.71 135.7 48.7 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.767 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 74.4 m -119.6 116.57 26.29 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 176.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . 0.402 ' CD1' ' HB ' ' A' 1642 ' ' THR . 2.2 t-105 -101.28 133.08 46.4 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -104.99 101.91 11.44 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . 0.402 ' HB ' ' CD1' ' A' 1640 ' ' TRP . 9.9 t -128.17 141.85 42.63 Favored Pre-proline 0 C--N 1.303 -1.456 0 CA-C-O 121.58 0.705 . . . . 0.0 111.267 -174.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.01 -11.46 25.44 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.43 2.754 . . . . 0.0 111.337 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 93.8 mt -77.51 -17.52 57.9 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.582 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -90.27 5.83 45.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.361 0.6 . . . . 0.0 110.378 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 63.0 m . . . . . 0 C--N 1.31 -1.134 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.735 -178.887 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 C--O 1.252 1.191 0 CA-C-O 121.325 0.583 . . . . 0.0 111.795 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' 1527 ' ' PHE . 13.5 pt20 -143.74 133.38 23.66 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.177 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 60.2 t -117.54 132.18 68.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.037 -177.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 9.9 m -101.34 120.51 40.37 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 175.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -86.99 111.1 38.18 Favored Pre-proline 0 C--N 1.305 -1.342 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.62 -10.2 25.54 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.303 2.669 . . . . 0.0 114.058 -175.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 31.9 t -80.81 -53.43 6.49 Favored 'General case' 0 N--CA 1.433 -1.307 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 45.6 p -94.39 -30.28 14.56 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.001 0.429 . . . . 0.0 112.126 -178.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 94.56 10.71 57.76 Favored Glycine 0 N--CA 1.441 -1.03 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.856 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 12.0 t60 -88.62 139.48 30.43 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 122.389 -0.477 . . . . 0.0 110.41 -177.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 62.2 tp -101.54 112.78 25.44 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.553 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.432 ' O ' ' HA ' ' A' 1517 ' ' GLN . 91.2 m-85 -95.7 106.94 19.11 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.452 -177.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 3.6 p30 -116.99 154.17 31.36 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 72.8 mt -119.76 28.57 8.05 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.59 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 46.3 p -55.96 -33.76 65.07 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 21.3 p -73.85 -27.76 61.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.27 0.557 . . . . 0.0 111.428 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 77.5 mt -96.24 -0.21 50.11 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 33.9 m -82.92 97.92 8.93 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-O 121.107 0.48 . . . . 0.0 109.775 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -107.6 136.86 13.69 Favored Glycine 0 N--CA 1.435 -1.396 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -81.36 -22.37 38.46 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -84.27 -27.12 28.1 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 173.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 95.37 -159.52 22.56 Favored Glycine 0 N--CA 1.414 -2.794 0 CA-C-N 113.687 -1.597 . . . . 0.0 109.927 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -125.11 136.81 54.0 Favored 'General case' 0 C--N 1.278 -2.531 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.53 ' HA ' ' O ' ' A' 1548 ' ' VAL . 41.2 m -126.72 107.21 9.96 Favored 'General case' 0 C--N 1.282 -2.327 0 C-N-CA 120.094 -0.643 . . . . 0.0 110.227 178.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -96.51 106.84 19.15 Favored 'General case' 0 N--CA 1.421 -1.906 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 175.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . 0.433 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -95.9 104.67 16.61 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 121.175 0.512 . . . . 0.0 110.126 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--N 1.299 -1.601 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.298 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . . . . . . 0 N--CA 1.434 -1.457 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' A' 1539 ' ' THR . 23.1 t -92.42 108.33 20.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.754 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -91.07 104.02 16.65 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.5 ptm -119.69 137.05 54.15 Favored 'General case' 0 C--N 1.278 -2.515 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.622 -175.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 34.5 t -96.94 149.64 21.66 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 50.7 mm -125.65 105.33 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 52.5 t 74.97 91.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 111.203 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 97.62 -157.38 20.78 Favored Glycine 0 N--CA 1.437 -1.269 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.268 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.47 149.31 26.3 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-O 120.901 0.381 . . . . 0.0 110.58 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -105.26 141.49 36.7 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.47 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.35 -0.13 24.48 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.304 -176.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -90.85 6.5 44.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.185 0.993 . . . . 0.0 108.765 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 62.1 m -137.11 164.07 44.75 Favored Pre-proline 0 N--CA 1.429 -1.48 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 175.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -63.44 128.06 21.51 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 121.648 1.565 . . . . 0.0 109.335 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -50.44 104.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 123.324 2.683 . . . . 0.0 112.596 -177.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 137.55 -28.39 2.77 Favored Glycine 0 N--CA 1.429 -1.811 0 N-CA-C 108.588 -1.805 . . . . 0.0 108.588 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 87.0 t -88.27 143.45 11.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 174.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -124.21 9.48 8.37 Favored Glycine 0 N--CA 1.44 -1.093 0 C-N-CA 119.64 -1.267 . . . . 0.0 112.896 -176.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -165.52 129.64 2.32 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 120.914 0.388 . . . . 0.0 110.386 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 63.8 m -129.87 132.75 46.54 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 35.2 t80 -109.56 115.91 30.78 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.59 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 94.26 175.71 39.07 Favored Glycine 0 N--CA 1.429 -1.829 0 C-N-CA 120.925 -0.655 . . . . 0.0 113.247 173.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -71.42 -23.79 61.92 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 123.596 0.758 . . . . 0.0 109.163 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 18.5 m -73.68 -11.39 60.4 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.495 177.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 60.81 41.07 15.17 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.106 0.962 . . . . 0.0 111.782 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.6 116.65 2.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 20.2 p -64.72 110.82 2.51 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-O 121.427 0.632 . . . . 0.0 110.733 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.828 HG23 ' HB3' ' A' 1606 ' ' TYR . 14.4 p -112.32 18.06 7.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 CA-C-O 122.242 1.02 . . . . 0.0 109.735 -174.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 169.55 137.92 2.37 Favored Glycine 0 N--CA 1.429 -1.786 0 C-N-CA 120.197 -1.002 . . . . 0.0 113.397 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 45.1 tptt -84.12 150.46 25.53 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 106.611 -1.626 . . . . 0.0 106.611 176.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -58.48 129.45 42.12 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 123.635 0.774 . . . . 0.0 112.557 -176.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -129.12 140.74 51.43 Favored 'General case' 0 C--O 1.253 1.274 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 24.0 pttm -136.89 15.79 3.07 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.544 0.687 . . . . 0.0 110.109 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -96.61 93.29 6.67 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.497 -178.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 17.3 mt -75.86 131.29 39.61 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 120.742 0.306 . . . . 0.0 111.646 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -119.8 138.77 53.15 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 173.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . 0.572 ' CZ ' ' HA ' ' A' 1586 ' ' GLN . 22.9 t80 -112.8 100.91 9.04 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -176.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 14.4 m -119.74 112.32 36.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.088 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.3 t70 59.92 48.97 8.26 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 122.403 1.097 . . . . 0.0 111.237 177.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . 0.572 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 50.7 mt-30 65.71 19.64 11.42 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 114.419 -1.264 . . . . 0.0 112.112 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 62.6 t -125.34 125.65 69.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.494 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 76.2 mt -85.14 140.17 31.14 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 175.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -136.74 134.74 37.45 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 119.627 -0.829 . . . . 0.0 111.591 -176.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 83.6 mt -130.08 123.84 31.4 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 124.952 1.301 . . . . 0.0 108.714 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.7 p -113.49 111.86 37.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 CA-C-O 121.978 0.894 . . . . 0.0 111.469 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -92.67 91.08 7.36 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 54.0 pttt -112.54 169.3 8.98 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.252 -175.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 35.7 t70 68.6 88.83 0.11 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.954 1.301 . . . . 0.0 112.231 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -132.77 -122.17 2.3 Favored Glycine 0 N--CA 1.425 -2.048 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 38.7 m -76.55 145.75 75.94 Favored Pre-proline 0 C--N 1.298 -1.655 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -74.98 141.78 27.11 Favored 'Trans proline' 0 C--O 1.243 0.746 0 C-N-CA 122.65 2.233 . . . . 0.0 110.771 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 C--N 1.3 -1.584 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.131 -179.519 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 C--O 1.253 1.253 0 CA-C-O 121.332 0.587 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 36.1 t -136.65 152.13 50.07 Favored 'General case' 0 N--CA 1.418 -2.047 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.828 ' HB3' HG23 ' A' 1574 ' ' VAL . 96.9 m-85 -65.15 131.97 47.93 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.568 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -138.23 143.92 40.35 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.961 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 19.7 m -116.98 119.88 36.67 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.792 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 48.3 t -103.9 110.02 28.94 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 67.0 mt -101.33 125.84 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.237 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 16.8 p -121.27 124.67 45.18 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.668 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.494 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 76.8 m-85 -101.28 101.14 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 42.2 t -84.27 132.59 31.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.881 -175.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' 1586 ' ' GLN . 43.8 t -62.32 105.22 0.58 Allowed 'General case' 0 C--O 1.242 0.675 0 O-C-N 124.068 0.855 . . . . 0.0 110.116 176.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -129.39 91.32 41.78 Favored Pre-proline 0 C--N 1.305 -1.332 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo . . . . . 0 C--O 1.235 0.33 0 C-N-CA 123.153 2.569 . . . . 0.0 112.967 -177.742 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 . . . . . 0 C--O 1.248 0.974 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -67.04 122.22 9.51 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 121.843 1.695 . . . . 0.0 110.297 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 15.0 tpt -109.88 138.89 45.61 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.216 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.7 tt -83.72 103.86 13.37 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 105.423 -2.066 . . . . 0.0 105.423 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.0 mm -82.03 -50.09 16.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.248 -174.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 21.2 t -137.72 134.16 35.01 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.89 97.09 6.78 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 20.7 t70 -103.04 101.59 11.57 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 118.921 -1.112 . . . . 0.0 110.224 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -84.21 -7.09 59.45 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.861 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -76.81 -49.9 14.76 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.97 0.414 . . . . 0.0 110.627 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 46.0 p -98.89 6.38 46.81 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 121.484 0.659 . . . . 0.0 110.643 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 59.6 m 59.1 45.48 14.53 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.297 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 18.1 m -122.73 118.21 27.52 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.144 -176.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.08 125.74 49.94 Favored 'General case' 0 N--CA 1.428 -1.562 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -98.19 120.23 38.23 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.426 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -117.44 138.89 51.54 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 10.9 t -133.14 141.03 47.93 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.3 t90 -124.31 128.8 49.67 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 66.6 m170 -90.26 105.44 17.81 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 174.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 4.2 t -132.34 137.37 29.83 Favored Pre-proline 0 C--N 1.301 -1.515 0 CA-C-O 121.257 0.551 . . . . 0.0 111.69 -177.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.28 -3.25 12.5 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 122.555 2.17 . . . . 0.0 111.046 174.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.58 -12.26 56.33 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.098 0.475 . . . . 0.0 110.651 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -86.03 -10.01 55.77 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 42.2 m . . . . . 0 N--CA 1.431 -1.411 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 179.8 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 83.4 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 121.948 0.88 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.402 ' CG ' HD11 ' A' 1526 ' ' LEU . 28.1 tt0 -150.93 134.43 16.31 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 114.341 -1.3 . . . . 0.0 108.687 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 90.2 t -133.45 137.4 53.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 18.2 m -116.09 130.96 57.05 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . 0.45 ' HA ' ' HD3' ' A' 1521 ' ' PRO . 29.9 p30 -94.26 131.89 30.35 Favored Pre-proline 0 C--N 1.312 -1.05 0 C-N-CA 119.517 -0.873 . . . . 0.0 109.933 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' 1520 ' ' ASN . 3.7 Cg_exo -79.66 -5.92 14.2 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 121.922 1.748 . . . . 0.0 111.91 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 14.9 m -74.39 -57.86 3.67 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.959 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 3.9 p -115.14 -7.42 12.45 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 82.64 17.92 67.15 Favored Glycine 0 N--CA 1.441 -1.02 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.824 176.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 27.9 m170 -91.98 140.86 29.24 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.206 0.527 . . . . 0.0 111.683 -177.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . 0.402 HD11 ' CG ' ' A' 1517 ' ' GLN . 59.3 tp -98.49 130.17 45.08 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.854 -176.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -113.4 132.81 55.48 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 4.0 p30 -150.33 157.09 42.67 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 120.634 -0.426 . . . . 0.0 109.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.6 mt -118.13 27.42 9.0 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 16.4 m -71.44 -9.17 57.75 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -173.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 28.5 p -91.57 -17.04 26.22 Favored 'General case' 0 C--N 1.309 -1.16 0 O-C-N 121.76 -0.588 . . . . 0.0 111.406 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 95.7 mt -106.73 -16.51 14.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.961 0.41 . . . . 0.0 110.624 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 30.0 p -59.67 124.38 19.93 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.737 0.815 . . . . 0.0 112.029 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -172.01 147.9 10.42 Favored Glycine 0 N--CA 1.425 -2.051 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -78.62 -18.24 54.82 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -175.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -85.89 -29.62 23.52 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . 0.451 ' HA3' ' HA ' ' A' 1551 ' ' SER . . . 69.14 -110.28 3.3 Favored Glycine 0 N--CA 1.433 -1.513 0 CA-C-N 114.263 -1.335 . . . . 0.0 113.734 174.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 57.1 t80 -163.64 132.12 3.75 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 59.4 m -91.53 107.84 19.49 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -98.35 105.66 17.84 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -101.14 127.22 47.79 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.309 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 64.2 m-85 . . . . . 0 C--N 1.297 -1.69 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.795 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 89.8 t -85.31 102.45 11.15 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 CA-C-O 121.739 0.78 . . . . 0.0 109.812 -178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -84.33 105.02 14.85 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.5 ptm -122.57 130.04 52.58 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-O 121.374 0.607 . . . . 0.0 111.255 -176.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . 0.451 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 17.1 t -88.85 150.4 22.91 Favored 'General case' 0 N--CA 1.423 -1.789 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 176.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 45.9 mm -108.27 93.72 2.68 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 36.1 t 70.18 61.25 0.24 Allowed 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 124.631 1.207 . . . . 0.0 110.377 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 169.25 -170.54 42.62 Favored Glycine 0 N--CA 1.428 -1.858 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -93.05 135.16 34.47 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -77.24 130.45 37.25 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.073 -175.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.47 -23.65 61.08 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.096 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 16.0 m120 -82.4 -1.38 49.83 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.067 0.46 . . . . 0.0 110.174 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 76.7 m -130.58 166.56 26.19 Favored Pre-proline 0 C--N 1.307 -1.257 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -59.52 144.45 99.42 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 122.321 2.014 . . . . 0.0 111.001 173.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -54.95 118.64 5.37 Favored 'Trans proline' 0 C--O 1.245 0.874 0 C-N-CA 123.532 2.822 . . . . 0.0 113.09 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 121.48 -20.48 8.32 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.541 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 60.4 t -88.24 134.57 27.73 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -95.41 -29.97 8.48 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.644 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -150.13 145.69 26.47 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 122.389 -0.477 . . . . 0.0 110.823 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 73.7 m -130.28 133.83 46.78 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 123.162 0.585 . . . . 0.0 109.469 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 89.2 t80 -97.68 125.91 42.72 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -178.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 85.05 165.48 40.23 Favored Glycine 0 N--CA 1.429 -1.82 0 CA-C-N 115.344 -0.843 . . . . 0.0 113.18 172.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -67.61 -17.81 64.75 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.454 0.645 . . . . 0.0 109.87 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 6.4 m -71.8 -15.51 62.16 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.022 176.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 62.74 46.13 5.42 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.854 1.662 . . . . 0.0 111.672 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.96 115.09 19.4 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 3.8 p -55.98 115.57 2.48 Favored 'General case' 0 C--N 1.314 -0.975 0 O-C-N 123.634 0.584 . . . . 0.0 111.587 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.685 HG23 ' HB3' ' A' 1606 ' ' TYR . 14.4 p -113.24 24.62 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.291 0 CA-C-O 122.249 1.023 . . . . 0.0 110.812 -175.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 154.27 148.18 4.88 Favored Glycine 0 C--O 1.242 0.626 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.694 174.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' 1594 ' ' ASP . 47.7 mmtm -81.49 153.48 26.82 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 123.454 0.702 . . . . 0.0 109.704 176.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -69.56 108.97 4.04 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.571 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 13.4 m120 -122.88 155.08 37.38 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -130.95 27.85 4.86 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.13 0.49 . . . . 0.0 111.616 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -95.51 115.76 27.88 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.562 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.572 HD22 ' HB3' ' A' 1588 ' ' LEU . 25.4 mt -94.33 132.26 39.11 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.603 0.716 . . . . 0.0 111.613 175.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -114.67 125.85 54.21 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 173.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . 0.542 ' CZ ' ' HA ' ' A' 1586 ' ' GLN . 42.3 t80 -102.8 100.28 10.28 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 16.3 m -123.76 113.36 36.83 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.881 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.1 t70 52.29 55.15 9.57 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.97 1.308 . . . . 0.0 111.609 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . 0.542 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 83.6 mt-30 64.86 26.64 12.89 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 114.125 -1.398 . . . . 0.0 112.921 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 62.0 t -128.82 130.24 68.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.572 ' HB3' HD22 ' A' 1581 ' ' LEU . 74.0 mt -92.7 117.05 29.58 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 173.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -104.95 126.24 51.8 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 28.8 mt -114.79 123.74 49.98 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 169.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . 0.471 ' HA ' ' O ' ' A' 1608 ' ' SER . 7.4 p -120.06 115.89 48.72 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.813 177.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -89.57 101.15 13.83 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 175.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -101.05 157.01 17.08 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.56 -174.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' A' 1576 ' ' LYS . 34.1 t70 70.62 75.73 0.2 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.007 1.323 . . . . 0.0 112.991 178.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -98.13 -136.66 9.32 Favored Glycine 0 N--CA 1.423 -2.178 0 N-CA-C 110.154 -1.179 . . . . 0.0 110.154 172.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . 0.449 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 49.5 m -78.55 145.89 68.42 Favored Pre-proline 0 C--N 1.295 -1.787 0 CA-C-O 120.582 0.229 . . . . 0.0 110.993 178.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' 1596 ' ' SER . 28.1 Cg_exo -64.59 130.6 26.97 Favored 'Trans proline' 0 C--O 1.25 1.085 0 C-N-CA 123.068 2.512 . . . . 0.0 110.7 175.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 63.8 m . . . . . 0 C--N 1.302 -1.459 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.235 -176.94 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 76.6 mt . . . . . 0 C--O 1.246 0.902 0 CA-C-O 121.319 0.58 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 36.5 m -130.73 142.81 50.43 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.685 ' HB3' HG23 ' A' 1574 ' ' VAL . 99.1 m-85 -59.19 139.68 56.69 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 123.944 0.778 . . . . 0.0 113.01 -175.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -130.9 151.12 51.67 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.915 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . 0.471 ' O ' ' HA ' ' A' 1591 ' ' VAL . 32.3 m -114.78 113.85 24.8 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 120.937 0.399 . . . . 0.0 110.727 176.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 65.6 t -102.86 107.45 22.05 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 56.9 mt -101.39 114.1 39.59 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 8.5 t -100.93 100.65 11.31 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.279 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.554 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 93.3 m-85 -88.74 99.7 12.56 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.5 t -88.88 132.7 33.04 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -175.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . 0.505 ' HB3' ' HB3' ' A' 1586 ' ' GLN . 22.6 t -56.13 99.51 0.03 OUTLIER 'General case' 0 C--O 1.244 0.791 0 O-C-N 124.427 1.08 . . . . 0.0 109.54 174.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . 0.436 ' HD3' ' HA ' ' A' 1615 ' ' ARG . 36.1 mmt180 -127.45 98.51 28.9 Favored Pre-proline 0 N--CA 1.42 -1.946 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.341 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo . . . . . 0 CA--C 1.537 0.634 0 C-N-CA 123.26 2.64 . . . . 0.0 110.62 176.062 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 . . . . . 0 C--O 1.244 0.791 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -75.9 127.68 10.25 Favored 'Trans proline' 0 C--O 1.247 0.932 0 C-N-CA 122.439 2.093 . . . . 0.0 108.977 170.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 50.3 ttm -134.45 131.17 37.8 Favored 'General case' 0 C--N 1.291 -1.939 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.688 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' 1637 ' ' PHE . 42.2 tp -70.7 117.99 12.92 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 173.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 46.9 mm -91.57 -41.22 13.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 -176.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.1 t -152.21 138.53 18.46 Favored 'General case' 0 N--CA 1.432 -1.348 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.293 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.25 104.93 15.11 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 105.844 -1.91 . . . . 0.0 105.844 177.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -107.08 102.52 11.85 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 119.747 -0.781 . . . . 0.0 109.595 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -84.22 -3.27 58.07 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.105 0.479 . . . . 0.0 110.814 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -86.45 -50.84 6.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.034 0.445 . . . . 0.0 110.252 -177.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 41.7 p -96.17 2.03 52.76 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.574 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 76.8 m 60.16 47.12 9.73 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 114.368 -1.287 . . . . 0.0 111.21 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 36.2 m -120.28 123.35 42.97 Favored 'General case' 0 N--CA 1.418 -2.063 0 CA-C-O 121.337 0.589 . . . . 0.0 111.122 -175.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.429 ' HB3' ' CE2' ' A' 1638 ' ' PHE . 4.1 mm? -96.35 116.8 29.62 Favored 'General case' 0 N--CA 1.424 -1.763 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 174.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . 0.437 ' O ' HD12 ' A' 1626 ' ' LEU . 93.9 m-85 -99.52 107.85 20.13 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.336 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . 0.429 ' CE2' ' HB3' ' A' 1636 ' ' LEU . 88.1 m-85 -114.5 141.19 48.03 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 25.8 t -128.02 144.0 51.09 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -125.53 136.47 53.37 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 37.0 m-70 -104.95 103.49 13.06 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 6.9 t -139.67 143.99 37.36 Favored Pre-proline 0 C--N 1.313 -0.995 0 CA-C-O 121.398 0.618 . . . . 0.0 111.961 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.31 -1.1 11.27 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 123.242 2.628 . . . . 0.0 111.455 175.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 95.6 mt -75.95 -11.27 59.93 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.372 0.606 . . . . 0.0 110.397 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.88 8.84 43.48 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.683 0.754 . . . . 0.0 109.297 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 58.3 m . . . . . 0 C--N 1.306 -1.299 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.911 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 C--O 1.255 1.391 0 CA-C-O 121.609 0.719 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -150.98 142.22 23.24 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.567 -178.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 58.2 t -116.78 137.33 50.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 18.6 m -134.35 118.57 17.62 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 174.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 15.2 m120 -84.15 111.46 33.63 Favored Pre-proline 0 C--N 1.3 -1.573 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -59.15 -25.84 79.54 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.224 2.616 . . . . 0.0 112.264 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 4.8 p -65.17 -60.93 2.47 Favored 'General case' 0 N--CA 1.424 -1.766 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.473 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 23.2 p -87.58 -42.14 12.93 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 107.39 -4.78 35.23 Favored Glycine 0 N--CA 1.435 -1.37 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.157 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . 0.271 4.6 p-80 -81.0 143.32 32.61 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -176.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 44.5 tp -107.6 136.01 48.08 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 124.965 1.306 . . . . 0.0 111.162 -174.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -115.12 128.79 56.43 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 174.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 8.0 t70 -135.67 136.2 40.73 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 85.9 mt -117.76 23.09 11.93 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 177.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . 0.469 ' HA ' ' OG ' ' A' 1533 ' ' SER . 29.5 t -63.96 -23.92 67.52 Favored 'General case' 0 C--O 1.248 1.025 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -175.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 36.6 p -77.07 -20.85 55.29 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 120.795 0.331 . . . . 0.0 111.285 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 87.9 mt -105.94 -18.46 14.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.742 0.306 . . . . 0.0 111.174 -177.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . 0.469 ' OG ' ' HA ' ' A' 1530 ' ' SER . 50.7 p -75.95 119.12 19.48 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.374 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -149.33 154.7 25.92 Favored Glycine 0 N--CA 1.427 -1.907 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . 0.573 ' O ' ' HA ' ' A' 1556 ' ' ASN . 27.1 mmt180 -74.34 -25.72 59.7 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.35 0.575 . . . . 0.0 110.114 -175.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -82.82 -34.53 26.9 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.29 0.567 . . . . 0.0 109.986 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . 0.457 ' HA3' ' HA ' ' A' 1551 ' ' SER . . . 69.97 -114.15 5.39 Favored Glycine 0 N--CA 1.436 -1.301 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.934 175.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 55.2 t80 -148.12 138.49 22.81 Favored 'General case' 0 N--CA 1.427 -1.624 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 55.4 m -107.47 116.58 32.19 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -112.76 108.8 17.94 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.865 -178.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -93.19 104.59 16.77 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . 0.458 ' CZ ' ' HB2' ' A' 1626 ' ' LEU . 97.6 m-85 . . . . . 0 C--N 1.298 -1.635 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.319 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 57.7 t -86.64 121.74 37.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 CA-C-O 121.031 0.443 . . . . 0.0 110.423 -176.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -104.49 104.7 14.6 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 17.0 ptm -127.18 137.4 52.93 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.296 -172.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . 0.457 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 30.9 t -94.38 150.8 19.93 Favored 'General case' 0 N--CA 1.429 -1.51 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 1.9 mp -105.45 104.53 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.607 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 176.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 35.7 t 67.71 67.02 0.37 Allowed 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.395 1.059 . . . . 0.0 110.074 175.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 151.65 -149.07 20.75 Favored Glycine 0 N--CA 1.424 -2.112 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.738 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' 1555 ' ' GLU . 0.3 OUTLIER -107.19 151.95 24.73 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 125.197 1.399 . . . . 0.0 110.446 -176.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.573 ' HA ' ' O ' ' A' 1535 ' ' ARG . 3.2 t-20 -100.81 113.2 25.91 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -66.56 -11.0 50.95 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 17.5 m120 -82.94 1.77 37.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.766 0.793 . . . . 0.0 109.382 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 78.9 m -135.21 177.28 2.31 Favored Pre-proline 0 C--N 1.297 -1.677 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -56.53 128.52 30.41 Favored 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 121.444 1.43 . . . . 0.0 110.404 173.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -59.89 99.79 0.13 Allowed 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 122.759 2.306 . . . . 0.0 110.627 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 152.68 -25.8 0.84 Allowed Glycine 0 N--CA 1.425 -2.048 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 -176.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 54.8 t -88.26 137.58 20.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 174.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -101.02 -23.95 9.41 Favored Glycine 0 C--N 1.312 -0.782 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.73 -176.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -151.79 137.57 17.98 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 120.962 0.411 . . . . 0.0 110.528 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . 0.414 ' HB3' ' HA ' ' A' 1571 ' ' ARG . 71.9 m -123.77 133.37 53.85 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.837 178.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 87.7 t80 -97.87 116.85 30.91 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.372 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 80.81 173.29 46.99 Favored Glycine 0 N--CA 1.437 -1.291 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.641 175.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -72.63 -13.52 61.39 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.342 0.591 . . . . 0.0 109.857 177.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 18.8 m -72.07 -16.74 62.03 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 121.929 0.871 . . . . 0.0 109.535 174.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . 0.414 ' HA ' ' HB3' ' A' 1566 ' ' CYS . 99.4 mtt180 60.5 40.93 16.42 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 125.208 1.403 . . . . 0.0 112.786 176.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 65.4 mt -72.4 129.97 35.58 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 5.7 p -61.56 110.8 1.58 Allowed 'General case' 0 N--CA 1.434 -1.231 0 CA-C-O 121.517 0.675 . . . . 0.0 111.518 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.699 HG23 ' HB3' ' A' 1606 ' ' TYR . 11.0 p -113.19 17.18 7.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-O 122.537 1.161 . . . . 0.0 108.937 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 167.58 136.1 1.98 Allowed Glycine 0 N--CA 1.426 -1.971 0 CA-C-N 114.492 -1.231 . . . . 0.0 112.704 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 27.3 tptp -86.34 149.16 25.23 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -56.68 120.82 8.45 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -176.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 31.9 t30 -138.23 136.97 37.08 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 20.1 pttm -130.71 15.06 5.38 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 121.728 0.775 . . . . 0.0 109.899 -177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -90.57 107.99 19.52 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.268 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 41.3 mt -79.78 137.91 37.12 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.993 176.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -122.19 113.23 19.19 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 88.3 t80 -85.5 100.2 11.74 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 28.2 m -135.64 141.11 43.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.351 -177.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 20.9 t70 57.46 37.52 27.84 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 122.244 1.021 . . . . 0.0 110.871 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 64.94 16.8 10.75 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 114.52 -1.218 . . . . 0.0 113.105 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 33.2 m -134.12 163.77 36.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 91.7 mt -96.28 117.23 30.38 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -100.71 124.57 46.5 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.936 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 21.6 mt -114.72 123.04 48.26 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 169.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.7 p -128.43 123.8 60.61 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.273 0 CA-C-O 121.274 0.559 . . . . 0.0 109.973 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' 1607 ' ' LYS . 78.6 m-85 -102.86 102.93 13.06 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -98.24 -174.84 2.95 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 60.77 54.94 3.41 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 121.664 0.745 . . . . 0.0 112.522 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -98.45 -148.02 22.96 Favored Glycine 0 N--CA 1.427 -1.916 0 N-CA-C 109.198 -1.561 . . . . 0.0 109.198 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 37.9 t -73.09 134.76 80.46 Favored Pre-proline 0 C--N 1.297 -1.676 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.95 118.02 5.23 Favored 'Trans proline' 0 C--O 1.242 0.696 0 C-N-CA 122.685 2.257 . . . . 0.0 111.444 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 81.8 m . . . . . 0 C--N 1.307 -1.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.511 179.019 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.541 0.614 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 38.1 t 174.59 134.15 0.04 OUTLIER 'General case' 0 CA--C 1.494 -1.197 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.462 175.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.699 ' HB3' HG23 ' A' 1574 ' ' VAL . 66.0 m-85 -69.06 137.54 53.65 Favored 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 107.235 -1.395 . . . . 0.0 107.235 167.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' 1592 ' ' TYR . 16.1 ptpt -149.36 134.75 18.39 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.493 0.663 . . . . 0.0 111.403 -177.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 20.3 m -108.98 126.38 53.05 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.136 -178.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 63.1 t -112.89 113.85 45.28 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' 1638 ' ' PHE . 53.7 mt -107.69 123.64 63.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 178.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 19.8 m -116.47 115.61 26.13 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-O 121.211 0.529 . . . . 0.0 110.37 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -85.77 113.87 22.28 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 65.7 t -104.44 140.18 23.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 28.7 t -63.88 126.47 27.75 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.736 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -150.16 102.54 3.16 Favored Pre-proline 0 N--CA 1.424 -1.754 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 171.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . 0.403 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 65.3 Cg_exo . . . . . 0 N--CA 1.486 1.057 0 C-N-CA 124.046 3.164 . . . . 0.0 114.533 -176.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 . . . . . 0 N--CA 1.432 -1.334 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.41 ' HD3' ' CZ3' ' A' 1640 ' ' TRP . 80.6 Cg_endo -80.47 141.23 13.94 Favored 'Trans proline' 0 N--CA 1.445 -1.339 0 C-N-CA 121.972 1.781 . . . . 0.0 110.281 174.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . 0.47 ' O ' ' HA ' ' A' 1638 ' ' PHE . 20.3 ptp -116.62 148.48 40.91 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . 0.458 ' HB2' ' CZ ' ' A' 1542 ' ' TYR . 1.7 tt -94.34 108.4 20.31 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 107.551 -1.278 . . . . 0.0 107.551 -175.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.3 mm -86.94 -48.17 15.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.912 -175.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 23.0 t -141.03 145.0 35.31 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.431 HD22 ' HG ' ' A' 1636 ' ' LEU . 0.4 OUTLIER -119.35 105.71 11.57 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -177.854 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -101.92 113.13 26.07 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.897 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -84.56 -2.63 57.67 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.368 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -84.68 -53.25 5.5 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.215 0.531 . . . . 0.0 109.752 -175.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 23.6 p -105.69 12.07 31.46 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.893 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 65.5 m 53.01 41.33 32.16 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.645 177.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 30.1 m -106.25 120.46 41.9 Favored 'General case' 0 N--CA 1.424 -1.774 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.434 -176.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.431 ' HG ' HD22 ' A' 1629 ' ' LEU . 5.6 mp -103.09 127.82 50.21 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 176.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -99.37 116.78 32.33 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.876 -177.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . 0.47 ' HA ' ' O ' ' A' 1625 ' ' MET . 91.8 m-85 -118.56 137.28 53.34 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 54.9 p -123.97 139.48 53.92 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . 0.41 ' CZ3' ' HD3' ' A' 1624 ' ' PRO . 2.0 t90 -124.21 132.05 53.58 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 177.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 61.5 m80 -99.15 107.86 20.32 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.8 t -140.15 145.14 40.54 Favored Pre-proline 0 C--N 1.306 -1.321 0 CA-C-O 121.264 0.554 . . . . 0.0 110.789 -175.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.677 ' HA ' ' SG ' ' A' 1646 ' ' CYS . 74.8 Cg_endo -77.33 -4.92 15.23 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.169 2.579 . . . . 0.0 110.977 175.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 92.5 mt -82.78 -3.32 56.46 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.391 0.615 . . . . 0.0 110.276 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -109.04 14.34 24.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.922 0.868 . . . . 0.0 108.836 175.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . 0.677 ' SG ' ' HA ' ' A' 1643 ' ' PRO . 70.9 m . . . . . 0 C--N 1.308 -1.221 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.37 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' 1529 ' ' LEU . 5.7 t . . . . . 0 C--O 1.244 0.789 0 CA-C-O 122.631 1.205 . . . . 0.0 108.971 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' 1527 ' ' PHE . 12.8 pt20 -158.49 162.0 37.44 Favored 'General case' 0 N--CA 1.423 -1.794 0 CA-C-N 114.006 -1.452 . . . . 0.0 107.638 -175.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 14.8 p -159.67 140.49 4.06 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 5.8 m -106.16 133.39 50.94 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 120.656 0.265 . . . . 0.0 110.454 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 15.3 m120 -92.39 110.76 46.88 Favored Pre-proline 0 C--N 1.311 -1.066 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.18 -15.25 45.79 Favored 'Trans proline' 0 C--O 1.241 0.673 0 C-N-CA 122.672 2.248 . . . . 0.0 113.967 -174.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 7.6 p -79.8 -64.41 1.19 Allowed 'General case' 0 N--CA 1.433 -1.276 0 C-N-CA 123.105 0.562 . . . . 0.0 111.619 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 29.0 p -82.61 -16.71 47.4 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.078 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 79.44 11.96 84.3 Favored Glycine 0 N--CA 1.439 -1.145 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 32.6 m170 -89.44 143.91 26.46 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.481 -0.36 . . . . 0.0 110.036 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.8 tt -120.83 129.05 53.39 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' 1517 ' ' GLN . 70.3 m-85 -95.47 122.86 38.64 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 120.631 0.253 . . . . 0.0 110.425 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -112.09 122.38 47.59 Favored 'General case' 0 CA--C 1.484 -1.582 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.16 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . 0.471 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 97.6 mt -111.04 20.69 17.21 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 172.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 3.0 p -60.35 -36.19 77.42 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 123.979 0.912 . . . . 0.0 113.022 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 19.4 m -71.56 -16.83 62.32 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.374 0.606 . . . . 0.0 110.82 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 78.1 mt -102.18 -18.08 15.69 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.145 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 43.7 t -64.83 143.88 57.64 Favored 'General case' 0 C--O 1.255 1.386 0 CA-C-O 121.127 0.489 . . . . 0.0 110.515 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . 172.88 147.94 6.07 Favored Glycine 0 N--CA 1.423 -2.185 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . 0.521 ' O ' ' HA ' ' A' 1556 ' ' ASN . 72.4 mtp180 -82.04 -30.19 31.57 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 120.939 0.4 . . . . 0.0 110.762 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -75.8 -30.34 59.02 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 56.84 -108.8 1.35 Allowed Glycine 0 CA--C 1.493 -1.332 0 CA-C-N 114.079 -1.419 . . . . 0.0 113.73 173.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 52.2 t80 -160.39 157.97 28.73 Favored 'General case' 0 N--CA 1.428 -1.552 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 62.9 m -130.81 115.37 16.52 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.019 0.438 . . . . 0.0 109.917 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -117.22 128.43 55.08 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.351 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -90.88 125.9 35.88 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.164 0.507 . . . . 0.0 111.222 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 84.1 m-85 . . . . . 0 C--N 1.306 -1.306 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.24 -179.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.416 -2.697 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 51.5 t -94.76 107.66 19.73 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.165 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -88.99 104.0 16.57 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . 0.43 ' O ' ' HA3' ' A' 1537 ' ' GLY . 22.3 ptm -116.72 127.87 54.79 Favored 'General case' 0 C--N 1.282 -2.34 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.914 -173.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . 0.494 ' OG ' ' HA ' ' A' 1535 ' ' ARG . 42.3 t -96.32 142.81 28.01 Favored 'General case' 0 N--CA 1.417 -2.087 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 174.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 64.9 mt -102.37 107.39 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.341 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 60.1 m 72.94 16.85 4.35 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.084 1.354 . . . . 0.0 113.631 177.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . -154.6 -163.32 11.88 Favored Glycine 0 CA--C 1.497 -1.049 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -178.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . 0.614 ' OE1' ' HA ' ' A' 1561 ' ' PRO . 9.3 pt-20 -106.92 134.13 50.53 Favored 'General case' 0 C--O 1.249 1.033 0 CA-C-O 121.172 0.511 . . . . 0.0 111.074 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' 1535 ' ' ARG . 26.1 t-20 -72.2 136.63 46.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.055 -174.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -67.91 -16.24 63.98 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.137 0.975 . . . . 0.0 113.371 -175.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 16.2 m120 -107.93 23.64 14.17 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 83.9 m -134.14 152.71 78.82 Favored Pre-proline 0 C--N 1.3 -1.58 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.756 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.01 149.01 21.98 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 123.472 2.781 . . . . 0.0 111.647 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . 0.614 ' HA ' ' OE1' ' A' 1555 ' ' GLU . 16.5 Cg_endo -56.4 110.17 0.54 Allowed 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.437 2.758 . . . . 0.0 112.599 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 112.88 -8.59 25.55 Favored Glycine 0 N--CA 1.436 -1.334 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.943 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 89.8 t -88.64 124.72 41.7 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 117.206 0.503 . . . . 0.0 110.376 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -84.75 -31.91 22.86 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.803 -175.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -151.89 142.67 22.89 Favored 'General case' 0 C--N 1.31 -1.123 0 O-C-N 122.508 -0.407 . . . . 0.0 111.06 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . 0.411 ' HB3' ' HA ' ' A' 1571 ' ' ARG . 74.2 m -122.16 135.84 54.83 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.228 178.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 84.5 t80 -98.71 114.66 27.27 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.744 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 86.03 173.56 49.36 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.712 -0.676 . . . . 0.0 113.181 174.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -71.52 -16.86 62.35 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 4.6 m -67.89 -21.15 65.16 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.152 177.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . 0.411 ' HA ' ' HB3' ' A' 1566 ' ' CYS . 98.1 mtt180 66.67 34.16 5.95 Favored 'General case' 0 CA--C 1.501 -0.919 0 C-N-CA 125.165 1.386 . . . . 0.0 113.036 176.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.18 118.13 8.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.953 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 12.1 p -61.98 111.01 1.74 Allowed 'General case' 0 N--CA 1.432 -1.335 0 CA-C-O 121.451 0.644 . . . . 0.0 111.785 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.589 HG23 ' HB3' ' A' 1606 ' ' TYR . 11.6 p -101.35 20.39 2.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-O 122.291 1.043 . . . . 0.0 109.607 -178.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . 0.401 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 152.91 149.53 5.17 Favored Glycine 0 N--CA 1.429 -1.816 0 C-N-CA 120.054 -1.07 . . . . 0.0 114.12 175.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 48.6 tptt -77.71 150.76 34.42 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -70.83 112.63 7.17 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 122.938 0.495 . . . . 0.0 110.807 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -121.06 156.52 32.04 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.108 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 22.5 pttp -133.7 7.54 3.81 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 121.29 0.566 . . . . 0.0 109.696 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -80.64 93.19 6.09 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.734 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' 1588 ' ' LEU . 46.8 tp -84.41 125.04 31.97 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.797 -178.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -107.86 141.78 38.93 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.896 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 40.6 p90 -107.42 104.41 13.98 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 174.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 15.6 m -127.49 106.18 14.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 121.918 -0.489 . . . . 0.0 112.141 -176.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 37.5 t70 58.27 52.15 7.69 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 122.397 1.094 . . . . 0.0 111.12 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 15.3 mp0 67.75 5.87 4.71 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 176.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 7.2 p -116.94 128.98 74.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.515 ' HB3' HD11 ' A' 1581 ' ' LEU . 90.0 mt -82.88 132.14 35.17 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -129.4 131.43 46.8 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 119.846 -0.742 . . . . 0.0 112.202 -174.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 68.7 mt -116.1 124.9 51.54 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 173.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.1 p -120.05 115.92 48.81 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 CA-C-O 122.047 0.927 . . . . 0.0 111.263 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . 0.401 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 33.7 m-85 -99.69 102.1 13.48 Favored 'General case' 0 N--CA 1.418 -2.046 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 176.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . 0.423 ' HG3' ' OD2' ' A' 1594 ' ' ASP . 21.0 pttp -117.13 -172.17 2.17 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 176.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . 0.423 ' OD2' ' HG3' ' A' 1593 ' ' LYS . 15.4 m-20 66.85 59.62 0.56 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 122.14 0.971 . . . . 0.0 109.64 -178.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -126.77 -142.45 5.63 Favored Glycine 0 N--CA 1.427 -1.91 0 CA-C-N 114.62 -1.173 . . . . 0.0 110.297 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . 0.547 ' O ' ' HA ' ' A' 1605 ' ' SER . 23.0 t -60.2 126.33 83.75 Favored Pre-proline 0 C--N 1.31 -1.123 0 C-N-CA 123.291 0.636 . . . . 0.0 109.828 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -72.48 163.19 39.3 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 122.869 2.379 . . . . 0.0 112.496 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . 0.445 ' H ' ' HB2' ' A' 1604 ' ' LEU . 59.0 m . . . . . 0 C--N 1.303 -1.442 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . 0.445 ' HB2' ' H ' ' A' 1598 ' ' CYS . 1.6 pp . . . . . 0 N--CA 1.429 -1.48 0 CA-C-O 120.217 0.056 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . 0.547 ' HA ' ' O ' ' A' 1596 ' ' SER . 45.4 t 80.52 124.86 0.04 OUTLIER 'General case' 0 CA--C 1.495 -1.168 0 C-N-CA 124.856 1.262 . . . . 0.0 111.82 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.589 ' HB3' HG23 ' A' 1574 ' ' VAL . 53.5 m-85 -62.93 130.98 47.14 Favored 'General case' 0 N--CA 1.421 -1.896 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.865 171.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -131.48 139.06 49.25 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.96 -176.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 23.1 t -115.24 113.94 24.56 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 48.1 t -107.09 102.9 14.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 60.2 mt -97.67 121.15 47.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 19.2 m -115.19 119.32 35.97 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.107 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.4 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 89.5 m-85 -94.65 99.9 11.94 Favored 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 39.9 t -84.75 132.64 31.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 CA-C-N 115.423 -0.808 . . . . 0.0 108.876 -176.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 44.7 t -61.41 121.97 13.98 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 114.262 -1.336 . . . . 0.0 110.62 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -135.87 86.62 26.65 Favored Pre-proline 0 C--N 1.308 -1.237 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo . . . . . 0 C--N 1.352 0.715 0 C-N-CA 123.398 2.732 . . . . 0.0 113.681 -174.655 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 . . . . . 0 N--CA 1.447 -0.619 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -80.66 146.98 17.17 Favored 'Trans proline' 0 N--CA 1.449 -1.144 0 C-N-CA 122.241 1.961 . . . . 0.0 109.238 169.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 23.4 ptp -138.65 146.9 42.23 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.9 tt -88.32 118.69 28.11 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.2 mm -100.1 -48.97 11.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.592 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 28.7 t -136.43 141.94 43.62 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.44 HD11 ' HE2' ' A' 1631 ' ' LYS . 2.0 tm? -128.81 122.0 29.52 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.734 -177.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -117.99 107.46 14.07 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . 0.44 ' HE2' HD11 ' A' 1629 ' ' LEU . 72.9 mmtt -66.52 -32.93 74.58 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.093 0.557 . . . . 0.0 110.976 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -68.31 -55.6 11.54 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.1 -0.955 . . . . 0.0 112.196 -173.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 27.5 p -90.93 3.68 53.95 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 121.009 0.433 . . . . 0.0 111.193 -178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.487 ' O ' ' HA ' ' A' 1606 ' ' TYR . 62.1 m 57.71 32.71 22.27 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.069 0.948 . . . . 0.0 111.193 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 26.7 m -105.64 128.8 53.85 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.795 -175.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.422 ' HG ' HD23 ' A' 1629 ' ' LEU . 5.6 mp -111.71 131.11 55.53 Favored 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 177.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -105.96 116.26 31.64 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.29 -178.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -113.64 140.67 48.02 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.969 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 23.5 t -121.34 134.64 55.14 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -122.13 130.81 53.57 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 176.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -106.67 108.0 19.29 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 7.5 t -138.85 146.9 52.05 Favored Pre-proline 0 C--N 1.317 -0.833 0 CA-C-O 121.037 0.446 . . . . 0.0 110.395 -174.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -74.59 -12.29 22.41 Favored 'Trans proline' 0 C--N 1.362 1.263 0 C-N-CA 123.155 2.57 . . . . 0.0 111.489 176.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 97.4 mt -76.69 -9.46 58.69 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.446 0.641 . . . . 0.0 110.494 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.52 12.9 29.87 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.939 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 53.4 m . . . . . 0 C--N 1.31 -1.121 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.302 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' 1528 ' ' ASP . 98.6 m . . . . . 0 CA--C 1.505 -0.774 0 CA-C-O 121.204 0.526 . . . . 0.0 112.156 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.709 ' HA ' ' O ' ' A' 1527 ' ' PHE . 25.8 pt20 -139.52 128.26 23.28 Favored 'General case' 0 N--CA 1.417 -2.116 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.718 174.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 58.2 t -131.36 121.08 47.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . 0.46 ' O ' ' HD3' ' A' 1521 ' ' PRO . 18.5 m -94.02 116.24 28.65 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 175.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -93.82 105.47 16.96 Favored Pre-proline 0 C--N 1.302 -1.484 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 175.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' 1519 ' ' THR . 33.5 Cg_exo -61.73 -24.74 77.96 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.287 2.658 . . . . 0.0 113.891 -176.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.6 m -70.55 -28.23 64.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.971 0.415 . . . . 0.0 111.193 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 7.6 p -113.85 -26.62 8.09 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 81.9 15.9 73.97 Favored Glycine 0 CA--C 1.502 -0.755 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 24.3 t60 -96.7 118.92 34.2 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 114.946 -0.627 . . . . 0.0 109.627 -176.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' 1517 ' ' GLN . 61.0 tp -86.64 110.26 19.73 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.094 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.709 ' O ' ' HA ' ' A' 1517 ' ' GLN . 98.0 m-85 -78.66 119.57 22.09 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 178.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . 0.438 ' HA ' ' O ' ' A' 1516 ' ' CYS . 1.1 p-10 -131.78 149.51 52.45 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 173.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.1 mt -117.42 28.16 8.64 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-O 120.913 0.387 . . . . 0.0 110.463 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 2.5 m -65.2 -33.56 76.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -175.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 27.4 t -70.09 -17.64 63.23 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.458 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 86.5 mt -112.18 7.57 19.57 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.571 0.701 . . . . 0.0 109.399 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 23.0 t -96.37 119.27 34.55 Favored 'General case' 0 N--CA 1.425 -1.713 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -130.93 139.99 11.4 Favored Glycine 0 C--N 1.297 -1.602 0 N-CA-C 110.504 -1.039 . . . . 0.0 110.504 -178.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -71.46 -29.08 64.44 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -176.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . 0.438 ' HA ' ' HG2' ' A' 1557 ' ' GLU . . . -87.99 -33.73 18.3 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.505 0.669 . . . . 0.0 110.169 177.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 85.74 -164.78 37.85 Favored Glycine 0 N--CA 1.432 -1.584 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.872 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -121.05 129.8 53.5 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 37.8 m -96.42 109.71 22.21 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 173.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -98.16 106.62 18.94 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.074 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . 0.492 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -88.59 104.31 16.72 Favored 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 76.7 m-85 . . . . . 0 C--N 1.286 -2.155 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.957 -179.331 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . 0.492 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . . . . . . 0 N--CA 1.433 -1.532 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 58.6 t -86.47 117.07 30.26 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . 0.449 ' CE2' ' HA ' ' A' 1569 ' ' GLN . 89.9 m-85 -81.98 110.61 17.39 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 105.529 -2.026 . . . . 0.0 105.529 173.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 19.2 ptm -136.33 133.64 37.08 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 118.946 -1.102 . . . . 0.0 112.433 -177.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . 0.554 ' HB2' ' HB3' ' A' 1556 ' ' ASN . 41.7 t -108.1 148.79 29.34 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 176.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 1.9 mp -99.14 116.32 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.141 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 83.9 m 73.73 55.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.318 1.011 . . . . 0.0 112.83 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 149.36 -162.15 28.95 Favored Glycine 0 N--CA 1.429 -1.793 0 C-N-CA 120.008 -1.092 . . . . 0.0 111.992 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.85 147.04 25.94 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.554 ' HB3' ' HB2' ' A' 1551 ' ' SER . 8.1 p30 -100.01 132.74 45.18 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' 1536 ' ' ALA . 11.4 pt-20 -74.51 4.57 5.83 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -97.96 11.33 37.83 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 175.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 55.9 m -140.98 170.72 8.82 Favored Pre-proline 0 N--CA 1.442 -0.85 0 C-N-CA 126.615 1.966 . . . . 0.0 107.323 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -63.06 124.03 13.25 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.844 1.696 . . . . 0.0 110.169 175.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.26 114.08 1.49 Allowed 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 122.921 2.414 . . . . 0.0 110.93 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 136.45 -31.26 2.61 Favored Glycine 0 N--CA 1.432 -1.625 0 N-CA-C 108.858 -1.697 . . . . 0.0 108.858 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 58.5 t -88.65 131.64 35.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -86.1 -41.53 7.04 Favored Glycine 0 C--O 1.245 0.822 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.229 -176.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -143.74 147.24 33.91 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 63.8 m -129.16 135.23 48.58 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.576 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 67.2 t80 -89.22 114.41 25.74 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 89.76 163.75 39.49 Favored Glycine 0 N--CA 1.428 -1.849 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.782 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . 0.449 ' HA ' ' CE2' ' A' 1549 ' ' TYR . 28.8 mm-40 -79.82 3.23 20.26 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.105 0.479 . . . . 0.0 110.758 -178.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 4.2 m -87.04 -2.71 58.83 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.774 177.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 65.52 36.16 6.79 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.503 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 87.9 mt -72.6 115.04 12.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 16.5 p -63.08 124.24 20.63 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -175.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.419 HG23 ' HB3' ' A' 1606 ' ' TYR . 13.3 p -118.1 33.23 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-O 123.469 1.604 . . . . 0.0 108.255 176.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 136.78 142.68 4.47 Favored Glycine 0 N--CA 1.428 -1.896 0 CA-C-N 113.739 -1.573 . . . . 0.0 112.989 175.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.418 ' O ' ' HD1' ' A' 1592 ' ' TYR . 73.3 mmtt -80.88 158.4 25.34 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 175.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -61.49 96.11 0.06 Allowed 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 123.705 0.802 . . . . 0.0 111.236 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.0 135.5 54.59 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 177.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.15 29.92 6.26 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.188 0.518 . . . . 0.0 109.912 -175.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 47.9 mtt180 -83.01 91.56 7.19 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.872 -177.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' 1588 ' ' LEU . 12.6 mt -75.91 127.54 33.2 Favored 'General case' 0 CA--C 1.498 -1.047 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.004 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -119.52 121.61 39.78 Favored 'General case' 0 C--N 1.285 -2.221 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 173.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 42.8 t80 -95.41 99.34 11.26 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 15.6 m -127.0 123.93 63.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.484 -175.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.7 t70 52.9 52.9 12.98 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 124.373 1.069 . . . . 0.0 112.48 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 38.8 tt0 63.35 23.85 13.95 Favored 'General case' 0 CA--C 1.561 1.37 0 CA-C-N 114.094 -1.412 . . . . 0.0 112.429 173.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' 1612 ' ' PHE . 2.6 p -140.33 135.65 36.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 O-C-N 121.916 -0.49 . . . . 0.0 110.621 176.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.583 ' HB3' HD22 ' A' 1581 ' ' LEU . 64.3 mt -86.74 124.31 32.86 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.291 178.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -108.43 125.68 52.04 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.021 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 15.7 mt -114.31 132.08 56.3 Favored 'General case' 0 CA--C 1.496 -1.121 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 171.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.5 p -130.34 121.52 51.35 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 CA-C-O 121.463 0.649 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . 0.418 ' HD1' ' O ' ' A' 1576 ' ' LYS . 94.4 m-85 -93.42 104.67 16.8 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 177.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 67.1 mttm -93.07 158.01 16.0 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.038 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 34.3 t70 68.69 88.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 125.24 1.416 . . . . 0.0 111.489 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . 0.47 ' HA3' ' O ' ' A' 1606 ' ' TYR . . . -120.37 -162.33 11.77 Favored Glycine 0 N--CA 1.423 -2.218 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 178.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 34.4 p -76.1 140.4 69.83 Favored Pre-proline 0 C--N 1.293 -1.876 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.81 138.14 67.13 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 123.295 2.664 . . . . 0.0 111.908 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 75.8 m . . . . . 0 C--N 1.301 -1.542 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.959 -177.15 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 98.4 mt . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 18.4 m -136.75 144.04 43.59 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.47 ' O ' ' HA3' ' A' 1595 ' ' GLY . 93.3 m-85 -67.58 123.73 21.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.562 0.539 . . . . 0.0 110.945 -178.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -133.08 161.97 32.97 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 11.2 p -128.06 137.03 52.0 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 75.6 t -122.36 119.72 59.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 53.2 mt -103.49 122.99 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 34.1 t -103.91 105.38 15.55 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 124.688 1.195 . . . . 0.0 109.611 -177.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.535 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 86.8 m-85 -94.5 103.07 15.04 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 37.0 t -91.24 135.98 25.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.772 -173.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . 0.611 ' O ' ' HD2' ' A' 1615 ' ' ARG . 1.5 t -60.47 94.4 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.496 1.119 . . . . 0.0 111.676 176.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . 0.611 ' HD2' ' O ' ' A' 1614 ' ' CYS . 16.8 mmm180 -133.21 102.12 13.22 Favored Pre-proline 0 C--N 1.306 -1.293 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 176.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . 0.439 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 63.9 Cg_exo . . . . . 0 CA--C 1.543 0.937 0 C-N-CA 123.181 2.587 . . . . 0.0 112.951 177.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 42.4 mtp180 . . . . . 0 N--CA 1.437 -1.118 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -65.38 122.4 10.08 Favored 'Trans proline' 0 C--O 1.243 0.749 0 C-N-CA 122.705 2.27 . . . . 0.0 112.724 -176.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 21.7 ptp -108.78 143.36 38.03 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.6 tt -88.78 119.02 28.89 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.7 mm -98.92 -50.51 10.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 C-N-CA 121.044 -0.262 . . . . 0.0 111.2 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 12.9 m -137.04 126.78 25.5 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.279 -175.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.73 111.05 23.57 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 30.1 t70 -118.57 102.26 8.75 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.901 -0.72 . . . . 0.0 111.684 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 99.1 mttt -84.74 1.07 48.29 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.259 176.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -75.69 -45.3 37.68 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.301 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 60.2 p -105.74 -1.17 24.74 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.502 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.458 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 99.9 m 64.01 55.78 1.51 Allowed 'General case' 0 C--O 1.238 0.488 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.308 -176.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 22.1 m -132.58 125.37 30.31 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.883 -175.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -106.07 122.02 45.32 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -97.18 113.07 24.61 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.622 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -109.19 148.14 31.4 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 28.2 t -134.64 156.36 48.87 Favored 'General case' 0 N--CA 1.42 -1.967 0 CA-C-N 118.734 0.697 . . . . 0.0 110.744 -178.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -140.14 137.66 34.62 Favored 'General case' 0 N--CA 1.423 -1.795 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -103.91 105.78 16.08 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.4 t -140.72 146.52 44.76 Favored Pre-proline 0 C--N 1.314 -0.951 0 CA-C-O 121.262 0.553 . . . . 0.0 111.778 -175.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.439 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 60.4 Cg_endo -75.79 -10.47 19.97 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 123.192 2.594 . . . . 0.0 110.973 173.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 98.0 mt -80.53 -3.86 51.74 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.948 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -113.22 27.11 9.87 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 121.441 0.639 . . . . 0.0 109.889 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.428 -1.535 0 C-N-CA 119.702 -0.799 . . . . 0.0 111.03 -177.781 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 96.5 m . . . . . 0 C--O 1.247 0.929 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -141.19 134.45 29.53 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 174.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 98.6 t -138.26 131.61 41.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 43.1 m -104.05 126.82 51.47 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 175.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 31.7 t30 -96.18 106.39 28.35 Favored Pre-proline 0 C--N 1.312 -1.046 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.24 -27.64 81.39 Favored 'Trans proline' 0 N--CA 1.48 0.694 0 C-N-CA 123.781 2.988 . . . . 0.0 114.353 -175.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 15.9 m -57.17 -53.14 61.41 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 120.84 0.352 . . . . 0.0 111.55 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 5.3 p -103.13 -18.33 14.99 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 121.118 0.485 . . . . 0.0 112.185 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 85.52 14.88 67.26 Favored Glycine 0 N--CA 1.44 -1.039 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -86.71 134.84 33.56 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.98 0.419 . . . . 0.0 110.148 -177.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.5 tt -99.63 129.99 45.82 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.465 ' HB3' HD11 ' A' 1588 ' ' LEU . 82.7 m-85 -101.76 125.78 48.49 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -120.79 124.96 46.35 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 123.49 0.494 . . . . 0.0 109.674 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 91.4 mt -115.56 4.59 14.22 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.187 0.518 . . . . 0.0 110.312 173.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 22.3 t -72.95 -28.28 62.33 Favored 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -177.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 18.8 m -69.55 -4.92 21.07 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.784 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 94.5 mt -111.52 12.01 21.34 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . 0.63 ' HA ' ' O ' ' A' 1552 ' ' ILE . 25.9 t -74.88 160.26 30.86 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.067 0.46 . . . . 0.0 110.367 -179.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -175.88 136.56 3.36 Favored Glycine 0 N--CA 1.421 -2.338 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -73.75 -33.47 64.31 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 117.17 0.485 . . . . 0.0 111.083 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -89.74 -24.25 21.58 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 60.32 -113.86 5.88 Favored Glycine 0 CA--C 1.499 -0.967 0 CA-C-N 114.479 -1.237 . . . . 0.0 112.221 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 87.7 t80 -156.96 132.25 9.15 Favored 'General case' 0 N--CA 1.428 -1.569 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 176.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 29.4 m -98.23 107.0 19.36 Favored 'General case' 0 N--CA 1.424 -1.736 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 176.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -83.41 118.48 23.75 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -66.44 131.25 45.64 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.089 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 36.2 t80 . . . . . 0 C--N 1.295 -1.791 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -178.535 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.065 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 51.8 t -98.68 116.26 41.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -83.72 104.76 14.09 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.3 ptm -129.75 136.25 49.42 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 120.256 -0.578 . . . . 0.0 112.042 -176.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 74.9 m -116.83 146.0 43.17 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.701 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . 0.63 ' O ' ' HA ' ' A' 1533 ' ' SER . 2.4 mp -97.58 123.03 49.77 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 75.1 m 62.51 67.39 0.72 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 123.772 0.67 . . . . 0.0 112.366 177.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.23 -170.08 26.71 Favored Glycine 0 N--CA 1.429 -1.8 0 C-N-CA 120.245 -0.979 . . . . 0.0 111.653 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.79 156.61 16.77 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -96.7 141.74 29.57 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -89.67 4.46 49.44 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-O 121.747 0.784 . . . . 0.0 111.673 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 14.5 m120 -76.98 -20.59 55.9 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 175.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . 0.506 ' HB3' ' HD2' ' A' 1560 ' ' PRO . 74.1 m -132.07 174.36 4.8 Favored Pre-proline 0 N--CA 1.429 -1.517 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.377 -176.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 39.1 Cg_exo -48.83 137.63 27.32 Favored 'Trans proline' 0 C--N 1.366 1.448 0 C-N-CA 122.968 2.446 . . . . 0.0 112.549 174.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 53.2 Cg_exo -57.13 107.49 0.29 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.01 2.473 . . . . 0.0 111.448 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 140.75 -21.36 2.69 Favored Glycine 0 N--CA 1.436 -1.33 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 42.6 t -87.11 136.76 22.27 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 176.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -99.56 -23.89 10.61 Favored Glycine 0 C--N 1.315 -0.604 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.619 -177.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -155.03 140.48 17.79 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 120.699 0.285 . . . . 0.0 110.36 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 67.2 m -125.68 133.67 52.09 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.378 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 60.7 t80 -96.44 119.86 35.69 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.505 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 79.91 176.93 50.08 Favored Glycine 0 N--CA 1.434 -1.48 0 CA-C-N 115.472 -0.785 . . . . 0.0 114.195 171.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -76.55 -14.77 59.99 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 14.7 m -71.65 -12.54 61.39 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.894 175.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 61.0 35.89 18.8 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 124.74 1.216 . . . . 0.0 112.129 172.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 76.1 mt -71.4 130.72 35.08 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.293 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 5.0 p -70.29 110.68 5.39 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-O 121.736 0.779 . . . . 0.0 110.635 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.505 HG23 ' HB3' ' A' 1606 ' ' TYR . 7.8 p -107.66 17.59 6.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.106 0 CA-C-O 122.373 1.083 . . . . 0.0 109.599 -176.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 168.35 138.27 2.43 Favored Glycine 0 N--CA 1.428 -1.864 0 CA-C-N 114.858 -1.065 . . . . 0.0 112.892 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 27.9 tptp -85.55 140.82 30.32 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -59.01 129.79 43.87 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 123.869 0.73 . . . . 0.0 110.146 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . 0.418 HD21 ' HB3' ' A' 1580 ' ' ARG . 36.4 t30 -152.02 147.84 27.0 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -174.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 61.1 mttp -126.86 22.09 6.83 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.204 0.526 . . . . 0.0 109.788 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . 0.418 ' HB3' HD21 ' A' 1578 ' ' ASN . 29.2 ttm180 -75.04 97.32 3.38 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' 1588 ' ' LEU . 1.4 tt -84.88 119.6 25.52 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -175.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -105.22 124.29 49.28 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . 0.481 ' CE1' ' HA ' ' A' 1586 ' ' GLN . 58.7 t80 -94.5 105.86 17.83 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 175.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 4.4 p -131.42 113.33 23.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-O 121.482 0.658 . . . . 0.0 112.082 -175.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 35.8 t70 57.3 47.0 17.55 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.626 1.17 . . . . 0.0 110.378 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . 0.481 ' HA ' ' CE1' ' A' 1583 ' ' TYR . 50.2 mt-30 69.05 -1.23 2.16 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 114.341 -1.3 . . . . 0.0 113.803 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 47.8 t -107.26 141.24 22.97 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 -178.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.516 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 85.0 mt -90.48 142.59 27.59 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -134.25 128.38 33.75 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.108 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 58.3 mt -116.97 127.33 54.09 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 171.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 9.7 p -124.24 133.77 68.43 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.206 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.594 -176.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -111.43 94.87 5.19 Favored 'General case' 0 N--CA 1.425 -1.724 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 97.2 mttt -95.27 -167.84 1.69 Allowed 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 61.34 38.91 15.93 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -87.51 -163.03 38.55 Favored Glycine 0 N--CA 1.434 -1.451 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.757 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 8.0 t -63.1 145.01 97.14 Favored Pre-proline 0 CA--C 1.562 1.436 0 C-N-CA 124.147 0.979 . . . . 0.0 110.317 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -70.67 127.54 14.0 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.931 2.421 . . . . 0.0 112.229 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 57.6 m . . . . . 0 C--N 1.306 -1.289 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.85 -177.327 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.424 -1.769 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 57.6 m -159.52 121.77 3.43 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.507 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.564 ' CD2' ' HB3' ' A' 1634 ' ' CYS . 47.0 m-85 -68.19 132.96 48.09 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 170.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . 0.562 ' O ' ' HA ' ' A' 1635 ' ' THR . 8.8 ptmm? -146.61 129.62 16.41 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.449 -176.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 23.1 m -108.61 132.31 54.0 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.079 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 80.9 t -114.22 116.9 53.96 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 51.5 mt -104.31 115.99 47.26 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 23.0 t -101.88 115.34 30.33 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.516 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 92.1 m-85 -93.93 107.01 18.96 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -178.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 50.3 t -94.28 143.08 12.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.689 -175.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . 0.421 ' SG ' ' HD3' ' A' 1616 ' ' PRO . 5.8 t -58.12 116.94 3.86 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 124.578 1.151 . . . . 0.0 112.125 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -140.29 78.97 22.05 Favored Pre-proline 0 C--N 1.314 -0.945 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 176.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . 0.421 ' HD3' ' SG ' ' A' 1614 ' ' CYS . 29.5 Cg_exo . . . . . 0 N--CA 1.475 0.44 0 C-N-CA 123.188 2.592 . . . . 0.0 113.158 -176.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 . . . . . 0 C--O 1.238 0.485 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -76.29 122.72 6.74 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.456 2.104 . . . . 0.0 112.77 -177.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 92.8 mtp -104.05 135.04 46.3 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 177.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.6 tt -88.2 117.48 27.13 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 51.1 mm -93.73 -54.67 6.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.381 -176.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.3 m -137.34 132.21 33.27 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.42 HD22 ' HG ' ' A' 1636 ' ' LEU . 0.3 OUTLIER -108.33 95.69 5.84 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 178.879 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 13.6 t70 -91.41 107.18 19.02 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.018 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 67.4 mttm -84.55 1.03 47.74 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.473 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -91.34 -45.54 8.53 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.751 -174.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 28.0 p -113.83 10.28 17.74 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.5 0.666 . . . . 0.0 110.522 177.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.564 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 61.6 m 57.61 48.08 14.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.454 -1.248 . . . . 0.0 112.246 175.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . 0.562 ' HA ' ' O ' ' A' 1607 ' ' LYS . 74.4 m -114.55 123.33 49.1 Favored 'General case' 0 N--CA 1.423 -1.825 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.42 ' HG ' HD22 ' A' 1629 ' ' LEU . 6.1 mp -106.0 125.41 50.96 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -99.36 115.38 29.07 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.27 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -111.85 134.73 53.22 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 177.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 30.7 t -109.26 128.12 54.82 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -118.03 135.5 54.14 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 44.4 m170 -105.34 110.01 22.21 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 6.6 t -140.36 143.94 35.16 Favored Pre-proline 0 CA--C 1.545 0.759 0 CA-C-O 121.304 0.573 . . . . 0.0 111.051 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -75.0 -10.04 21.04 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 123.414 2.743 . . . . 0.0 111.319 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 95.2 mt -80.31 -14.05 58.69 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.471 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -101.92 16.31 26.36 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.416 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 15.0 t . . . . . 0 N--CA 1.422 -1.872 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.554 -176.285 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . 0.494 ' HA ' ' HB2' ' A' 1581 ' ' LEU . 79.5 m . . . . . 0 C--O 1.241 0.653 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.44 ' HB2' HD11 ' A' 1526 ' ' LEU . 12.2 pt20 -139.89 129.54 24.43 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 174.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 60.8 t -120.41 128.1 75.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . 0.451 ' O ' ' HD3' ' A' 1521 ' ' PRO . 7.4 m -102.36 121.37 42.17 Favored 'General case' 0 C--N 1.282 -2.328 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 177.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 44.7 t30 -97.22 104.98 21.7 Favored Pre-proline 0 C--N 1.31 -1.144 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 175.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' A' 1519 ' ' THR . 34.8 Cg_exo -61.69 -16.72 50.37 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.689 2.926 . . . . 0.0 114.017 -175.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 15.5 m -67.49 -44.13 79.27 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.714 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 18.7 p -112.28 -5.82 14.13 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.314 0.578 . . . . 0.0 112.12 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 71.21 22.91 78.54 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.895 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 31.5 m170 -94.87 131.24 40.98 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 120.96 0.409 . . . . 0.0 111.871 -176.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . 0.44 HD11 ' HB2' ' A' 1517 ' ' GLN . 58.5 tp -97.42 108.87 21.68 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -92.95 112.93 25.06 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -126.49 160.24 31.13 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 92.9 mt -120.34 28.57 7.95 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 10.6 m -61.51 -38.99 89.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.766 0.317 . . . . 0.0 111.509 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 14.6 m -61.81 -22.59 65.6 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 122.966 0.507 . . . . 0.0 112.257 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 4.4 pp -120.28 16.51 12.28 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.34 0.591 . . . . 0.0 111.823 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 30.8 t -90.08 120.35 31.19 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -140.53 127.27 3.41 Favored Glycine 0 N--CA 1.421 -2.356 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' 1556 ' ' ASN . 10.2 ptp180 -83.2 -17.9 41.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.133 0.492 . . . . 0.0 111.479 -178.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -72.66 -33.14 66.36 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 175.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 88.45 -165.87 34.24 Favored Glycine 0 N--CA 1.411 -3.002 0 CA-C-N 113.926 -1.488 . . . . 0.0 112.732 174.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -133.1 135.25 45.15 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' 1548 ' ' VAL . 18.0 m -105.79 107.61 18.69 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -83.47 129.76 34.99 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -75.98 111.95 11.89 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.578 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 57.6 t80 . . . . . 0 C--N 1.296 -1.737 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.655 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.416 -2.665 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' 1539 ' ' THR . 7.7 p -83.13 113.63 22.6 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.314 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -91.95 104.7 17.08 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 17.0 ptm -119.46 119.86 35.14 Favored 'General case' 0 C--N 1.279 -2.458 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.339 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 48.4 t -88.8 147.26 24.52 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.84 98.97 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.696 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 22.8 t 68.07 59.36 0.44 Allowed 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.934 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 169.29 173.71 37.13 Favored Glycine 0 N--CA 1.432 -1.597 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -81.29 135.99 35.75 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 178.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' 1535 ' ' ARG . 21.2 t-20 -78.85 129.49 34.63 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 120.689 0.281 . . . . 0.0 110.966 -175.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -65.81 -15.66 63.09 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 7.2 t30 -93.32 -11.48 32.31 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 122.048 0.927 . . . . 0.0 108.712 177.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . 0.421 ' HB3' ' HB ' ' A' 1563 ' ' VAL . 70.8 m -103.64 155.87 36.32 Favored Pre-proline 0 C--N 1.299 -1.602 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.132 -177.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -61.09 125.73 17.76 Favored 'Trans proline' 0 C--O 1.248 1.009 0 C-N-CA 122.475 2.116 . . . . 0.0 109.778 173.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -39.22 114.17 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 124.954 3.769 . . . . 0.0 113.395 -177.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 127.83 -27.91 4.52 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 -177.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . 0.421 ' HB ' ' HB3' ' A' 1559 ' ' CYS . 61.9 t -88.64 141.01 14.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -105.21 -25.84 6.54 Favored Glycine 0 N--CA 1.441 -0.978 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.594 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -144.95 134.04 22.68 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 120.803 0.335 . . . . 0.0 110.735 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 79.7 m -129.21 133.89 47.75 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.85 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 50.0 t80 -95.5 114.08 25.81 Favored 'General case' 0 N--CA 1.42 -1.939 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 82.9 169.61 44.71 Favored Glycine 0 N--CA 1.44 -1.099 0 CA-C-N 115.72 -0.673 . . . . 0.0 113.537 175.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -70.57 -15.52 62.77 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.598 0.713 . . . . 0.0 109.307 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 14.4 m -65.66 -16.14 63.46 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 114.616 -1.175 . . . . 0.0 109.785 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 62.6 36.73 13.51 Favored 'General case' 0 CA--C 1.505 -0.77 0 C-N-CA 125.378 1.471 . . . . 0.0 112.155 176.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.76 114.0 5.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 11.1 p -64.52 117.77 7.83 Favored 'General case' 0 N--CA 1.428 -1.533 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.525 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' 1606 ' ' TYR . 11.2 p -120.32 36.37 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 CA-C-O 123.371 1.558 . . . . 0.0 108.536 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . 0.488 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 148.44 132.43 2.16 Favored Glycine 0 N--CA 1.416 -2.65 0 CA-C-N 114.054 -1.43 . . . . 0.0 113.366 177.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 48.0 tptt -75.29 157.57 34.17 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 174.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -67.38 79.27 0.16 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.44 0.638 . . . . 0.0 111.649 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.5 148.6 23.33 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.222 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . 0.441 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 17.7 pttp -146.01 33.35 1.01 Allowed 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 122.39 1.09 . . . . 0.0 109.907 -178.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -94.86 94.67 8.19 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 114.006 -1.452 . . . . 0.0 109.235 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.676 HD11 ' HB3' ' A' 1588 ' ' LEU . 33.0 tp -81.57 130.0 34.89 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.351 -175.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' 1588 ' ' LEU . 97.3 mtt180 -112.36 141.17 46.41 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 68.9 t80 -111.85 99.86 8.46 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 174.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 12.9 m -131.67 119.19 41.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.679 -174.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 19.7 m-20 61.37 39.4 15.32 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.576 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 58.84 37.61 24.8 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.693 -1.139 . . . . 0.0 111.445 -176.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 63.2 t -135.3 134.29 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 175.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.676 ' HB3' HD11 ' A' 1581 ' ' LEU . 93.2 mt -89.51 132.47 35.04 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 175.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -124.9 130.65 52.79 Favored 'General case' 0 C--N 1.283 -2.319 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.468 -175.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 61.4 mt -119.64 123.2 43.27 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 172.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 65.9 t -112.05 114.11 46.11 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . 0.488 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 76.8 m-85 -94.04 89.54 6.08 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 25.5 pttm -99.89 169.39 9.25 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.536 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 38.0 t70 68.44 92.89 0.08 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.925 1.29 . . . . 0.0 112.489 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -135.57 -129.38 2.85 Favored Glycine 0 N--CA 1.422 -2.259 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 28.8 m -83.02 143.67 46.22 Favored Pre-proline 0 C--N 1.287 -2.123 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.8 143.01 44.69 Favored 'Trans proline' 0 C--O 1.241 0.658 0 C-N-CA 122.522 2.148 . . . . 0.0 111.222 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 59.1 m . . . . . 0 C--N 1.309 -1.185 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.172 -178.272 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--O 1.239 0.548 0 CA-C-O 121.189 0.519 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 11.3 t -144.88 147.41 32.75 Favored 'General case' 0 N--CA 1.416 -2.138 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.447 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 98.4 m-85 -66.25 120.32 13.04 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 123.933 0.77 . . . . 0.0 110.036 178.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -135.02 158.65 43.81 Favored 'General case' 0 C--O 1.25 1.103 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.551 -176.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 33.7 t -125.4 135.34 52.29 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.84 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 86.6 t -115.59 116.02 51.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 54.2 mt -104.57 118.49 51.94 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 10.9 t -105.29 108.91 20.67 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.513 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 84.3 m-85 -89.52 99.93 12.83 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 123.274 0.63 . . . . 0.0 109.339 -179.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . 0.507 ' HB ' ' CD2' ' A' 1641 ' ' HIS . 47.1 t -92.86 135.69 27.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.196 -177.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' 1642 ' ' THR . 24.3 m -66.34 115.29 6.12 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 123.722 0.809 . . . . 0.0 110.16 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -148.76 117.59 3.97 Favored Pre-proline 0 C--N 1.309 -1.185 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo . . . . . 0 N--CA 1.485 1.006 0 C-N-CA 123.323 2.682 . . . . 0.0 113.088 177.784 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 . . . . . 0 N--CA 1.431 -1.403 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -73.59 122.05 7.55 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 121.413 1.409 . . . . 0.0 109.701 175.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 14.1 tpt -111.66 131.66 55.13 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.9 tt -78.11 117.34 19.31 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 -178.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.9 mm -96.8 -47.36 12.76 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.317 -175.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . 0.409 ' HB2' ' CD2' ' A' 1637 ' ' PHE . 21.1 m -137.91 126.81 24.01 Favored 'General case' 0 C--N 1.31 -1.151 0 O-C-N 122.105 -0.372 . . . . 0.0 110.076 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.25 109.59 21.47 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.7 t70 -117.71 107.86 14.7 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.154 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -84.29 -17.64 38.97 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -67.99 -50.59 54.74 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.97 0.414 . . . . 0.0 110.957 -176.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 42.3 p -99.5 4.36 45.97 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.424 0.631 . . . . 0.0 110.51 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.447 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 55.9 m 57.4 43.86 22.5 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.112 1.365 . . . . 0.0 111.481 176.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 28.3 m -120.37 116.15 24.93 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-O 121.062 0.458 . . . . 0.0 110.151 -176.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.8 mp -97.69 118.86 35.17 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' A' 1628 ' ' SER . 93.4 m-85 -94.56 119.84 33.86 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.797 -177.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -119.41 142.38 48.26 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 29.0 t -117.43 142.3 47.3 Favored 'General case' 0 N--CA 1.408 -2.533 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . 0.45 ' O ' ' HA ' ' A' 1612 ' ' PHE . 4.8 t-105 -125.86 135.88 52.45 Favored 'General case' 0 N--CA 1.415 -2.18 0 N-CA-C 105.315 -2.105 . . . . 0.0 105.315 176.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . 0.507 ' CD2' ' HB ' ' A' 1613 ' ' VAL . 68.7 m80 -109.26 109.06 19.88 Favored 'General case' 0 C--N 1.279 -2.496 0 CA-C-O 121.236 0.541 . . . . 0.0 111.097 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' 1614 ' ' CYS . 8.8 t -130.59 143.87 51.05 Favored Pre-proline 0 N--CA 1.426 -1.659 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.593 -175.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -83.87 0.78 9.18 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.713 2.275 . . . . 0.0 111.117 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.6 mt -91.97 -5.66 52.65 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.365 -178.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -79.57 -17.43 53.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.355 0.598 . . . . 0.0 111.536 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 60.4 m . . . . . 0 C--N 1.302 -1.475 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.123 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 7.4 t . . . . . 0 C--O 1.257 1.448 0 CA-C-O 122.32 1.057 . . . . 0.0 108.617 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.568 ' HB3' HD11 ' A' 1526 ' ' LEU . 73.6 mt-30 -136.78 143.38 43.19 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 114.24 -1.345 . . . . 0.0 109.737 -176.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 59.1 t -128.93 117.76 45.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.925 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 23.9 m -94.71 112.47 24.21 Favored 'General case' 0 N--CA 1.425 -1.722 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 174.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -95.69 118.61 65.94 Favored Pre-proline 0 C--N 1.295 -1.777 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -66.97 -18.22 51.92 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.158 2.572 . . . . 0.0 114.352 -174.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 19.6 m -78.56 -44.74 23.44 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.196 0.522 . . . . 0.0 110.476 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 25.1 p -83.24 -39.49 20.84 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-O 121.876 0.846 . . . . 0.0 110.312 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 87.91 10.11 69.98 Favored Glycine 0 N--CA 1.432 -1.608 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.505 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -106.65 140.21 39.87 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-O 121.181 0.515 . . . . 0.0 110.67 -174.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . 0.568 HD11 ' HB3' ' A' 1517 ' ' GLN . 51.8 tp -89.33 110.94 21.67 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 114.699 -1.137 . . . . 0.0 108.497 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -88.56 129.17 35.54 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.4 t70 -128.78 132.5 47.88 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 123.592 0.558 . . . . 0.0 112.094 -173.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . 0.478 HD22 HD12 ' A' 1532 ' ' LEU . 82.2 mt -121.1 21.51 11.24 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.723 177.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 63.8 p -64.4 -32.26 73.81 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 17.2 m -70.23 -15.4 62.91 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.119 0.485 . . . . 0.0 110.966 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . 0.478 HD12 HD22 ' A' 1529 ' ' LEU . 94.2 mt -101.2 -19.43 15.72 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.529 177.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . 0.549 ' HA ' ' O ' ' A' 1552 ' ' ILE . 23.3 t -66.95 143.12 57.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.124 -178.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . 0.447 ' O ' ' HB3' ' A' 1551 ' ' SER . . . -169.5 146.79 10.39 Favored Glycine 0 N--CA 1.435 -1.392 0 N-CA-C 110.064 -1.215 . . . . 0.0 110.064 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -84.69 -33.63 23.14 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -77.0 -34.71 57.49 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.632 0.729 . . . . 0.0 110.143 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 76.11 -146.95 34.07 Favored Glycine 0 N--CA 1.436 -1.361 0 CA-C-N 114.64 -1.164 . . . . 0.0 113.897 173.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -132.87 136.01 45.95 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 90.3 m -110.02 118.75 37.26 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -118.87 118.68 32.2 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . 0.423 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -94.16 115.9 28.24 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.444 -178.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 47.5 m-85 . . . . . 0 C--N 1.304 -1.391 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.562 176.579 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . . . . . . 0 N--CA 1.427 -1.91 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 11.8 p -95.5 122.0 46.58 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 CA-C-O 121.452 0.644 . . . . 0.0 109.515 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -104.61 104.38 14.19 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.6 ptm -134.35 133.29 40.48 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 121.105 0.479 . . . . 0.0 112.092 -172.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . 0.447 ' HB3' ' O ' ' A' 1534 ' ' GLY . 72.9 m -111.52 154.85 24.16 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 176.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . 0.549 ' O ' ' HA ' ' A' 1533 ' ' SER . 50.0 mm -100.07 114.78 39.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.138 -176.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . 0.478 ' SG ' ' HB2' ' A' 1579 ' ' LYS . 25.9 t 66.28 61.46 0.59 Allowed 'General case' 0 C--O 1.251 1.158 0 O-C-N 124.257 0.973 . . . . 0.0 110.958 171.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 159.85 -161.32 32.26 Favored Glycine 0 N--CA 1.434 -1.487 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.689 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.68 150.33 22.86 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 122.517 0.327 . . . . 0.0 110.695 178.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.506 ' HB2' HD22 ' A' 1558 ' ' ASN . 9.3 p30 -103.26 147.43 27.06 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.49 -177.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -91.12 4.64 51.67 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.194 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . 0.506 HD22 ' HB2' ' A' 1556 ' ' ASN . 25.2 m-80 -85.04 -7.87 58.94 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 122.072 0.939 . . . . 0.0 108.533 -178.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 78.3 m -145.22 174.82 3.13 Favored Pre-proline 0 C--N 1.293 -1.89 0 N-CA-C 104.706 -2.331 . . . . 0.0 104.706 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -59.9 125.93 19.02 Favored 'Trans proline' 0 C--O 1.251 1.163 0 C-N-CA 121.288 1.326 . . . . 0.0 110.951 174.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -51.96 115.61 2.25 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 123.159 2.573 . . . . 0.0 111.033 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 148.83 -33.25 1.17 Allowed Glycine 0 C--N 1.295 -1.742 0 N-CA-C 107.126 -2.39 . . . . 0.0 107.126 -176.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 44.0 t -84.89 137.09 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 173.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -89.24 -40.74 6.02 Favored Glycine 0 N--CA 1.44 -1.077 0 N-CA-C 111.71 -0.556 . . . . 0.0 111.71 -177.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -150.14 143.83 25.3 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.732 0.301 . . . . 0.0 110.314 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 83.3 m -122.19 133.66 54.72 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 68.9 t80 -114.63 127.2 55.65 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -178.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 103.81 153.92 23.54 Favored Glycine 0 N--CA 1.429 -1.821 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.739 175.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -60.57 -26.55 67.01 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 123.544 0.738 . . . . 0.0 111.474 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.6 m -85.46 -2.16 57.83 Favored 'General case' 0 CA--C 1.56 1.365 0 CA-C-O 121.815 0.817 . . . . 0.0 111.11 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 63.81 57.92 1.31 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.229 1.411 . . . . 0.0 112.393 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 68.4 mt -74.23 121.07 24.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 33.1 p -64.74 118.49 9.02 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-O 121.182 0.515 . . . . 0.0 110.86 -178.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . . . . . . . . . 13.3 p -113.64 29.33 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.253 0 CA-C-O 122.785 1.279 . . . . 0.0 109.657 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 144.94 150.84 5.3 Favored Glycine 0 N--CA 1.419 -2.484 0 CA-C-N 114.771 -1.104 . . . . 0.0 113.58 173.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -83.89 159.56 21.3 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 124.273 1.029 . . . . 0.0 108.758 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -61.32 89.63 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 124.106 0.962 . . . . 0.0 111.854 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.46 131.83 53.18 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . 0.478 ' HB2' ' SG ' ' A' 1553 ' ' CYS . 52.9 pttt -132.2 32.96 3.92 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-O 122.496 1.141 . . . . 0.0 110.628 176.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -90.46 92.71 8.99 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 173.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 1.5 tt -74.74 127.44 33.14 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 114.533 -1.212 . . . . 0.0 108.183 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -108.15 140.78 40.87 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.473 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 62.6 t80 -117.47 99.74 7.19 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 173.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 16.5 m -133.24 130.75 57.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.631 -175.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 22.2 m-20 56.84 36.32 27.55 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.644 0.778 . . . . 0.0 111.474 -177.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 62.39 29.09 17.16 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-N 114.732 -1.122 . . . . 0.0 112.084 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 79.6 t -127.05 139.65 51.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 177.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.496 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 95.9 mt -90.5 130.55 36.54 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 175.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -126.62 135.4 51.16 Favored 'General case' 0 C--N 1.288 -2.078 0 CA-C-O 120.963 0.411 . . . . 0.0 111.423 -175.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 82.5 mt -121.15 123.59 42.65 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 171.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 5.7 p -124.0 118.65 54.59 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.935 0 CA-C-O 121.2 0.524 . . . . 0.0 110.938 -177.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . 0.424 ' HB2' ' OG ' ' A' 1608 ' ' SER . 81.4 m-85 -96.64 107.73 20.22 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 176.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.47 170.85 8.01 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.66 -177.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 38.7 t70 70.21 45.9 0.64 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.739 1.216 . . . . 0.0 110.985 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -87.77 -138.3 5.83 Favored Glycine 0 N--CA 1.434 -1.441 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 70.5 m -69.58 133.15 88.93 Favored Pre-proline 0 C--N 1.304 -1.403 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 177.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' 1596 ' ' SER . 27.3 Cg_exo -64.15 140.15 70.09 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.845 2.363 . . . . 0.0 111.375 178.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 60.9 m . . . . . 0 C--N 1.303 -1.448 0 C-N-CA 122.965 0.506 . . . . 0.0 111.005 -178.554 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 70.5 mt . . . . . 0 C--O 1.243 0.743 0 CA-C-O 121.393 0.616 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 37.5 m -129.59 149.9 51.15 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 175.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.503 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 98.1 m-85 -66.12 126.41 28.56 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 123.276 0.36 . . . . 0.0 110.957 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -122.5 147.98 45.71 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.426 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . 0.424 ' OG ' ' HB2' ' A' 1592 ' ' TYR . 5.5 p -111.69 120.02 40.62 Favored 'General case' 0 C--N 1.284 -2.253 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.525 177.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 88.5 t -108.76 113.88 45.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.395 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 61.7 mt -98.85 114.72 37.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 12.1 t -107.15 113.89 27.61 Favored 'General case' 0 N--CA 1.416 -2.147 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.496 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 93.9 m-85 -90.42 99.11 12.19 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' 1641 ' ' HIS . 21.6 t -87.04 136.39 23.09 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' A' 1642 ' ' THR . 45.3 t -75.78 122.16 23.64 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.397 0.617 . . . . 0.0 112.574 -174.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -131.58 91.71 33.42 Favored Pre-proline 0 C--N 1.301 -1.532 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 173.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . 0.42 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 50.8 Cg_exo . . . . . 0 N--CA 1.482 0.831 0 C-N-CA 123.577 2.851 . . . . 0.0 113.303 -177.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 . . . . . 0 N--CA 1.418 -2.036 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.444 ' HD3' ' CZ3' ' A' 1640 ' ' TRP . 46.1 Cg_endo -68.66 123.11 10.11 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 122.376 2.051 . . . . 0.0 112.538 -176.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 51.3 tpp -131.56 133.8 45.42 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.47 116.72 17.42 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 43.9 mm -107.46 -37.21 3.56 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -175.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 17.0 m -137.86 133.34 33.77 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.212 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.73 115.67 26.06 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -178.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.2 t70 -121.43 106.41 11.4 Favored 'General case' 0 C--N 1.31 -1.129 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.624 177.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -73.35 -32.03 64.29 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -65.66 -49.69 67.7 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -176.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 32.2 p -90.35 3.66 53.07 Favored 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 119.753 -0.779 . . . . 0.0 111.249 178.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.503 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 63.6 m 56.96 47.56 17.45 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.24 177.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 23.8 m -125.19 126.57 45.43 Favored 'General case' 0 N--CA 1.424 -1.726 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.566 -175.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.38 119.95 40.81 Favored 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 173.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -94.43 115.65 27.88 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.241 -175.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -109.29 129.6 55.51 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 48.0 m -108.52 134.96 50.57 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-O 120.798 0.332 . . . . 0.0 110.159 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . 0.444 ' CZ3' ' HD3' ' A' 1624 ' ' PRO . 2.8 t-105 -129.7 134.02 47.4 Favored 'General case' 0 N--CA 1.427 -1.591 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 175.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . 0.47 ' HA ' ' O ' ' A' 1613 ' ' VAL . 18.2 m-70 -111.96 113.16 25.31 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . 0.547 ' O ' ' HA ' ' A' 1614 ' ' CYS . 11.8 t -138.16 147.15 54.79 Favored Pre-proline 0 C--N 1.305 -1.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.831 -175.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.42 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 13.9 Cg_exo -70.82 -13.64 32.15 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.955 2.436 . . . . 0.0 111.747 174.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.37 -13.88 62.6 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.638 0.775 . . . . 0.0 112.641 -176.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -81.88 -7.28 59.59 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.384 0.611 . . . . 0.0 110.587 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 88.2 m . . . . . 0 C--N 1.309 -1.163 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.19 177.559 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--O 1.25 1.11 0 CA-C-O 121.563 0.697 . . . . 0.0 109.906 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' A' 1527 ' ' PHE . 19.2 pt20 -158.57 130.47 6.69 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.943 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 52.4 t -112.93 147.79 16.35 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 32.8 m -136.64 123.29 21.05 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -98.01 105.79 30.27 Favored Pre-proline 0 C--N 1.309 -1.193 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.69 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -65.79 -17.94 57.17 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.933 2.422 . . . . 0.0 113.655 -175.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 13.3 m -74.62 -27.59 60.52 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 120.737 0.303 . . . . 0.0 111.456 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 23.5 p -121.69 -23.34 5.57 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 89.54 13.71 60.96 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.459 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 35.8 m80 -85.94 130.38 34.56 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 120.489 0.185 . . . . 0.0 110.622 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.9 tt -113.56 132.27 55.78 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' 1517 ' ' GLN . 83.9 m-85 -123.95 106.54 10.5 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -178.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -121.05 151.65 39.56 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 80.5 mt -117.89 29.29 7.9 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 123.645 0.591 . . . . 0.0 111.185 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . 0.509 ' HA ' ' OG ' ' A' 1533 ' ' SER . 23.0 t -63.1 -25.79 68.53 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -176.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 42.3 t -72.34 -19.62 61.61 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.469 0.652 . . . . 0.0 110.033 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 82.6 mt -111.48 1.28 16.85 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . 0.509 ' OG ' ' HA ' ' A' 1530 ' ' SER . 28.2 m -72.39 107.72 5.12 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -154.57 132.45 3.5 Favored Glycine 0 N--CA 1.423 -2.213 0 C-N-CA 120.22 -0.99 . . . . 0.0 111.998 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . 0.492 ' O ' ' HA ' ' A' 1556 ' ' ASN . 94.8 mtt180 -77.93 -22.34 49.75 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -82.73 -25.32 32.99 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 176.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 58.45 -121.26 25.71 Favored Glycine 0 CA--C 1.5 -0.894 0 CA-C-N 114.465 -1.243 . . . . 0.0 114.723 172.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 68.4 t80 -153.32 149.63 28.07 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 28.1 m -119.61 122.48 41.66 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . 0.411 ' O ' HG12 ' A' 1548 ' ' VAL . . . -120.33 140.95 50.52 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 120.809 0.338 . . . . 0.0 110.523 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -110.4 121.84 46.27 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 C--N 1.306 -1.313 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -179.137 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.416 -2.697 0 N-CA-C 111.364 -0.694 . . . . 0.0 111.364 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' 1540 ' ' ALA . 12.1 p -112.46 120.46 62.71 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 173.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -98.86 104.3 16.33 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . 0.426 ' O ' ' HA3' ' A' 1537 ' ' GLY . 24.4 ptm -119.91 134.41 55.25 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.671 -173.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 39.2 t -100.8 143.51 30.87 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 175.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 2.2 mp -101.64 109.99 27.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 176.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 49.5 t 64.64 50.16 2.17 Favored 'General case' 0 N--CA 1.446 -0.672 0 O-C-N 124.507 1.13 . . . . 0.0 109.637 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . -179.37 -165.23 33.21 Favored Glycine 0 N--CA 1.431 -1.68 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.724 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -114.89 135.66 53.96 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.492 ' HA ' ' O ' ' A' 1535 ' ' ARG . 18.9 t-20 -80.1 135.29 36.29 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.575 0.702 . . . . 0.0 112.638 -170.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.1 -20.19 57.01 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.391 1.476 . . . . 0.0 113.59 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -97.21 4.54 51.01 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 65.2 m -125.47 155.61 71.63 Favored Pre-proline 0 C--N 1.296 -1.732 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.77 -175.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -52.19 146.43 31.08 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 123.031 2.488 . . . . 0.0 110.894 173.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -54.42 114.78 1.98 Allowed 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 123.64 2.894 . . . . 0.0 112.657 -177.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 113.85 -11.65 22.84 Favored Glycine 0 N--CA 1.427 -1.939 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.827 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 59.0 t -88.52 126.05 41.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 CA-C-N 117.532 0.666 . . . . 0.0 109.49 177.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -88.62 -29.74 17.82 Favored Glycine 0 CA--C 1.506 -0.505 0 C-N-CA 121.188 -0.529 . . . . 0.0 113.469 -174.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -150.36 139.62 21.28 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 120.806 0.336 . . . . 0.0 110.865 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 75.0 m -126.7 133.12 50.99 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.042 177.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 92.0 t80 -106.94 126.26 52.08 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 123.247 0.619 . . . . 0.0 109.941 -177.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 95.28 166.11 35.27 Favored Glycine 0 N--CA 1.433 -1.561 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.446 174.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -67.04 -23.74 65.92 Favored 'General case' 0 C--O 1.247 0.972 0 C-N-CA 123.028 0.531 . . . . 0.0 111.173 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.3 m -87.69 2.25 51.59 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 121.992 0.901 . . . . 0.0 111.307 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.1 53.18 3.71 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.812 176.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 70.7 mt -69.26 117.53 12.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 7.1 p -60.34 110.1 1.16 Allowed 'General case' 0 N--CA 1.436 -1.13 0 CA-C-O 121.511 0.672 . . . . 0.0 110.737 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.56 HG23 ' HB3' ' A' 1606 ' ' TYR . 14.1 p -109.33 17.26 7.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 CA-C-O 122.548 1.166 . . . . 0.0 109.393 -176.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . 0.475 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 161.45 139.28 2.61 Favored Glycine 0 N--CA 1.424 -2.1 0 CA-C-N 114.675 -1.148 . . . . 0.0 113.072 176.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 39.6 tptt -85.15 145.67 27.5 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -59.02 105.57 0.33 Allowed 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 124.117 0.967 . . . . 0.0 112.845 -174.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 33.8 t30 -119.34 131.95 55.79 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 94.0 mttt -116.88 5.54 12.98 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.616 -176.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -78.46 96.87 5.5 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.683 0.754 . . . . 0.0 110.306 -177.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 30.0 mt -75.62 146.55 40.25 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.138 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -125.14 136.84 54.01 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 114.482 -1.236 . . . . 0.0 107.724 174.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . 0.533 ' CZ ' ' HA ' ' A' 1586 ' ' GLN . 60.9 t80 -111.86 100.36 8.86 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 175.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 9.4 m -126.1 115.79 43.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.1 -173.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 36.3 t70 57.39 48.33 14.93 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 124.795 1.238 . . . . 0.0 111.574 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . 0.533 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 43.1 tt0 64.17 30.66 13.62 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.011 178.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 38.2 t -135.52 136.34 50.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.523 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 87.2 mt -92.44 134.95 34.45 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 108.139 -1.059 . . . . 0.0 108.139 174.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -124.72 131.62 53.44 Favored 'General case' 0 C--N 1.29 -2.011 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.494 -177.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 22.2 mt -119.5 123.57 44.32 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 170.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 6.0 p -119.41 116.18 49.99 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 CA-C-O 121.46 0.648 . . . . 0.0 110.629 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . 0.475 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 97.4 m-85 -95.24 105.91 17.9 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 176.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 58.8 pttt -110.49 -172.99 2.14 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 12.3 m-20 66.83 29.57 8.34 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 122.958 0.503 . . . . 0.0 112.076 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -78.24 -159.28 12.76 Favored Glycine 0 C--O 1.252 1.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.208 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 50.4 m -64.88 134.91 96.19 Favored Pre-proline 0 C--N 1.309 -1.179 0 C-N-CA 122.424 0.29 . . . . 0.0 110.649 178.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -65.53 129.41 22.42 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.26 1.973 . . . . 0.0 108.994 176.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 55.3 m . . . . . 0 C--N 1.311 -1.094 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -177.845 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' 1633 ' ' THR . 93.8 mt . . . . . 0 N--CA 1.432 -1.33 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 47.9 m -131.0 152.78 49.94 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.56 ' HB3' HG23 ' A' 1574 ' ' VAL . 47.4 m-85 -58.84 132.09 52.91 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.723 -0.672 . . . . 0.0 112.009 177.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' 1635 ' ' THR . 59.0 mtpt -135.77 136.2 40.55 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.5 -177.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 26.0 m -111.81 122.63 48.32 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 99.2 t -111.14 112.23 39.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 53.7 mt -100.53 113.89 37.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 177.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 20.2 t -102.48 111.56 23.91 Favored 'General case' 0 C--N 1.286 -2.165 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.523 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 95.5 m-85 -88.92 110.4 21.06 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 28.3 m -95.94 141.12 15.84 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.774 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.202 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 34.7 t -63.27 98.83 0.16 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.437 -1.256 . . . . 0.0 111.29 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . 0.555 ' HA ' ' NE ' ' A' 1615 ' ' ARG . 1.9 mmp_? -131.13 96.75 21.31 Favored Pre-proline 0 C--N 1.301 -1.519 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.231 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . 0.442 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 12.4 Cg_exo . . . . . 0 CA--C 1.532 0.379 0 C-N-CA 123.519 2.813 . . . . 0.0 113.216 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 . . . . . 0 C--O 1.258 1.513 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' 1639 ' ' SER . 83.4 Cg_endo -90.77 148.1 3.99 Favored 'Trans proline' 0 N--CA 1.436 -1.89 0 C-N-CA 122.117 1.878 . . . . 0.0 112.762 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 24.6 mmt -121.67 143.35 49.39 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 173.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.9 tt -86.3 110.48 19.68 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -178.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.8 mm -92.73 -45.15 14.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 CA-C-O 120.941 0.4 . . . . 0.0 111.524 -173.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 21.3 t -142.02 141.26 32.83 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -177.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.455 HD22 ' HG ' ' A' 1636 ' ' LEU . 0.5 OUTLIER -121.03 95.5 4.72 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -178.358 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 16.5 t70 -86.64 105.87 17.2 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 55.1 mttp -77.16 -22.12 53.03 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.526 -175.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -77.81 -46.06 22.66 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -174.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . 0.436 ' HA ' HD13 ' A' 1604 ' ' LEU . 42.6 p -101.97 6.48 41.25 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 120.937 0.399 . . . . 0.0 111.14 178.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.42 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 60.2 m 57.78 43.68 21.51 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.036 176.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' 1607 ' ' LYS . 32.2 m -114.2 122.59 47.25 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.469 -176.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.455 ' HG ' HD22 ' A' 1629 ' ' LEU . 6.3 mp -101.53 128.28 47.85 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.728 179.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -102.42 108.0 19.18 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.889 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -105.95 139.25 40.78 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' 1624 ' ' PRO . 21.3 t -119.83 118.65 31.35 Favored 'General case' 0 C--N 1.286 -2.192 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -102.21 142.39 33.53 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 54.6 m80 -109.21 106.16 15.91 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 -174.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 5.9 t -140.18 145.97 44.03 Favored Pre-proline 0 C--N 1.317 -0.845 0 CA-C-O 121.277 0.56 . . . . 0.0 111.11 -175.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . 0.442 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 63.6 Cg_endo -75.08 -7.76 19.38 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.14 2.56 . . . . 0.0 111.924 175.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 82.6 mt -81.89 -10.85 59.17 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 120.915 0.388 . . . . 0.0 111.926 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -90.8 -0.34 57.69 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.983 0.897 . . . . 0.0 109.726 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 76.3 m . . . . . 0 C--N 1.3 -1.574 0 CA-C-N 114.761 -1.108 . . . . 0.0 108.976 179.78 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . 0.428 ' HA ' ' HB2' ' A' 1581 ' ' LEU . 54.7 m . . . . . 0 C--O 1.249 1.053 0 CA-C-O 122.017 0.913 . . . . 0.0 111.234 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' 1527 ' ' PHE . 14.3 pt20 -156.33 129.15 7.84 Favored 'General case' 0 N--CA 1.418 -2.068 0 CA-C-N 114.14 -1.391 . . . . 0.0 107.954 176.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 16.2 t -127.16 135.03 64.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -176.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 29.4 m -90.83 116.01 28.33 Favored 'General case' 0 N--CA 1.419 -2.011 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -82.41 111.97 32.64 Favored Pre-proline 0 C--N 1.308 -1.236 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.22 -7.11 20.03 Favored 'Trans proline' 0 C--O 1.24 0.611 0 C-N-CA 122.813 2.342 . . . . 0.0 113.665 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 24.4 t -74.55 -49.24 22.67 Favored 'General case' 0 N--CA 1.433 -1.319 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 38.7 p -108.04 -23.5 11.97 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 92.67 20.68 33.62 Favored Glycine 0 N--CA 1.44 -1.091 0 C-N-CA 121.245 -0.503 . . . . 0.0 111.986 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -101.97 142.95 32.46 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.697 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 51.6 tp -88.98 120.38 30.35 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' 1517 ' ' GLN . 79.7 m-85 -99.33 106.88 19.03 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 177.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -130.09 152.29 49.7 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.444 -172.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 95.6 mt -123.82 28.16 6.99 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.913 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.6 m -68.19 -30.08 69.09 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.082 -177.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 30.1 t -70.11 -23.86 63.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.982 0.42 . . . . 0.0 110.338 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' 1552 ' ' ILE . 88.7 mt -98.09 1.38 47.57 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.227 -179.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' 1552 ' ' ILE . 32.0 t -84.3 142.38 30.25 Favored 'General case' 0 N--CA 1.427 -1.614 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -168.92 140.73 6.32 Favored Glycine 0 N--CA 1.427 -1.92 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.465 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . 0.482 ' HB3' ' HG2' ' A' 1557 ' ' GLU . 15.8 mmt180 -65.68 -29.9 70.51 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 123.076 0.551 . . . . 0.0 112.346 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -82.54 -12.65 57.61 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.381 0.61 . . . . 0.0 110.152 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 55.31 -134.17 48.78 Favored Glycine 0 N--CA 1.441 -1.032 0 CA-C-N 114.673 -1.148 . . . . 0.0 112.948 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 84.5 t80 -152.03 136.37 16.75 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 175.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 23.6 m -100.92 108.69 20.51 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -101.42 106.92 18.12 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -93.91 104.06 16.13 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.222 0.534 . . . . 0.0 110.535 -177.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 88.7 m-85 . . . . . 0 C--N 1.299 -1.59 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.823 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.441 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . 0.563 ' HA ' ' O ' ' A' 1566 ' ' CYS . 98.0 t -88.39 107.01 17.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 CA-C-O 121.365 0.603 . . . . 0.0 110.168 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -89.76 104.59 17.14 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 177.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.7 ptp -121.6 142.54 50.01 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.373 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 48.1 t -110.82 132.21 54.39 Favored 'General case' 0 C--N 1.286 -2.181 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 173.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' 1533 ' ' SER . 50.4 mm -84.53 109.4 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.789 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 177.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 36.3 t 72.54 92.23 0.08 Allowed 'General case' 0 C--O 1.246 0.872 0 O-C-N 124.3 1.0 . . . . 0.0 111.01 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 119.99 -154.23 16.51 Favored Glycine 0 N--CA 1.428 -1.863 0 C-N-CA 120.216 -0.992 . . . . 0.0 112.314 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -111.02 150.69 28.94 Favored 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 122.924 0.489 . . . . 0.0 110.067 -178.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -99.7 131.78 45.47 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -176.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . 0.482 ' HG2' ' HB3' ' A' 1535 ' ' ARG . 18.0 mm-40 -72.08 -13.81 61.68 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 123.199 0.312 . . . . 0.0 111.406 -178.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 10.7 m120 -87.01 -0.76 57.15 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.961 0.886 . . . . 0.0 109.004 176.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 72.3 m -121.12 163.9 27.09 Favored Pre-proline 0 C--N 1.298 -1.671 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.984 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' 1561 ' ' PRO . 72.9 Cg_exo -56.45 150.94 48.24 Favored 'Trans proline' 0 CA--C 1.55 1.315 0 C-N-CA 122.546 2.164 . . . . 0.0 110.95 174.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 33.9 Cg_exo -59.97 114.69 2.19 Favored 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 122.994 2.463 . . . . 0.0 111.869 -176.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 110.19 -12.17 31.36 Favored Glycine 0 N--CA 1.432 -1.581 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.344 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 67.2 t -89.81 130.94 38.29 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -102.09 -26.51 7.4 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.807 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -142.43 129.94 21.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.716 0.293 . . . . 0.0 111.064 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . 0.563 ' O ' ' HA ' ' A' 1548 ' ' VAL . 76.0 m -121.43 133.81 55.08 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.074 178.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 90.2 t80 -109.56 139.13 44.95 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 86.61 164.47 39.83 Favored Glycine 0 N--CA 1.425 -2.077 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.221 176.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -73.85 -19.59 60.69 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.3 m -78.52 -6.78 56.41 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.108 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 65.2 48.38 2.2 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 124.004 0.922 . . . . 0.0 111.404 176.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 74.8 mt -73.96 121.08 24.29 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.184 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 10.1 p -63.76 112.08 2.71 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.334 0.587 . . . . 0.0 112.483 -178.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . . . . . . . . . 26.9 m -116.98 18.13 7.26 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-O 121.915 0.865 . . . . 0.0 110.07 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . -173.71 122.69 0.92 Allowed Glycine 0 N--CA 1.422 -2.275 0 CA-C-N 114.924 -1.034 . . . . 0.0 111.749 178.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 25.5 tptp -87.45 141.19 28.82 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -60.91 101.85 0.17 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -174.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -125.31 164.51 20.19 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 20.0 pttp -133.06 26.74 4.24 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.77 0.795 . . . . 0.0 110.278 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -77.29 94.67 4.2 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-N 114.539 -1.209 . . . . 0.0 110.6 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.518 HD21 ' HB3' ' A' 1588 ' ' LEU . 3.1 tt -98.34 129.39 45.01 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 177.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -128.46 142.99 50.92 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 40.7 p90 -95.53 105.86 17.88 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 176.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 6.8 p -119.89 109.94 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.303 0 CA-C-O 121.307 0.575 . . . . 0.0 111.289 -177.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 60.78 44.3 11.19 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.109 0.964 . . . . 0.0 110.657 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 65.31 17.34 10.96 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 114.727 -1.124 . . . . 0.0 112.025 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 99.8 t -115.58 128.44 72.81 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.614 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.518 ' HB3' HD21 ' A' 1581 ' ' LEU . 75.6 mt -83.34 128.2 34.3 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 177.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -118.65 134.75 54.88 Favored 'General case' 0 C--N 1.286 -2.181 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.049 -175.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 42.8 mt -119.65 131.94 55.57 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 170.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 5.3 p -131.99 123.45 51.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 CA-C-O 121.49 0.662 . . . . 0.0 110.965 -178.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -112.36 105.84 14.22 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 22.5 pttp -108.77 177.16 4.86 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.44 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 36.2 m-20 64.97 52.58 1.53 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.917 1.287 . . . . 0.0 113.225 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -88.11 -123.52 1.98 Allowed Glycine 0 N--CA 1.436 -1.331 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 174.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 24.3 m -80.0 151.41 73.19 Favored Pre-proline 0 C--N 1.293 -1.866 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -75.09 133.62 16.67 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.237 1.958 . . . . 0.0 110.143 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 57.3 m . . . . . 0 C--N 1.304 -1.378 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.293 -177.122 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 CA--C 1.499 -1.017 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 9.1 t -134.84 147.18 49.85 Favored 'General case' 0 N--CA 1.412 -2.361 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -64.38 135.73 56.43 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.269 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -141.91 143.63 33.39 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.847 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 3.3 p -121.12 135.01 55.26 Favored 'General case' 0 C--N 1.288 -2.067 0 CA-C-O 121.213 0.53 . . . . 0.0 111.693 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 93.3 t -120.95 117.61 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.181 0 CA-C-N 115.496 -0.774 . . . . 0.0 108.951 -178.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 54.9 mt -105.22 115.65 47.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 23.0 t -100.21 104.79 16.32 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 123.643 0.777 . . . . 0.0 109.192 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.514 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 87.8 m-85 -88.25 99.31 12.13 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 21.8 t -91.5 138.26 20.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -177.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . 0.648 ' HA ' ' O ' ' A' 1642 ' ' THR . 46.8 t -76.55 133.27 39.76 Favored 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.519 -176.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -150.3 100.08 3.2 Favored Pre-proline 0 N--CA 1.427 -1.591 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 175.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo . . . . . 0 C--N 1.357 1.003 0 C-N-CA 123.278 2.652 . . . . 0.0 111.467 178.523 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 . . . . . 0 N--CA 1.429 -1.515 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -78.01 122.09 5.64 Favored 'Trans proline' 0 N--CA 1.445 -1.372 0 C-N-CA 121.344 1.363 . . . . 0.0 110.233 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 87.2 mtp -121.4 136.18 54.99 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.2 tt -81.42 111.31 17.65 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 -178.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.2 mm -93.84 -39.36 10.58 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.985 -175.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 74.0 m -148.63 134.41 18.91 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 121.07 0.462 . . . . 0.0 111.51 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 1.5 tm? -106.66 120.03 40.88 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -117.87 103.66 10.18 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -84.04 -10.12 58.11 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -177.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -72.26 -48.09 45.24 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.5 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 24.8 p -99.8 -0.96 38.79 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 121.435 0.635 . . . . 0.0 110.511 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 86.4 m 60.8 42.06 13.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 114.079 -1.419 . . . . 0.0 110.276 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 19.0 m -105.3 122.29 45.65 Favored 'General case' 0 N--CA 1.427 -1.575 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.282 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.2 mp -100.31 116.35 32.08 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 175.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -92.53 107.91 19.57 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.838 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -107.36 143.61 35.42 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 16.3 t -124.99 144.64 50.28 Favored 'General case' 0 N--CA 1.416 -2.137 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 177.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -131.98 141.69 49.36 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 69.3 m80 -110.4 113.95 27.0 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 120.38 -0.528 . . . . 0.0 109.675 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . 0.648 ' O ' ' HA ' ' A' 1614 ' ' CYS . 10.0 t -139.93 139.68 22.23 Favored Pre-proline 0 C--N 1.31 -1.135 0 CA-C-O 121.159 0.504 . . . . 0.0 110.193 -176.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -74.61 -8.7 20.76 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.729 2.286 . . . . 0.0 111.713 176.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.94 -15.5 62.6 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.015 0.526 . . . . 0.0 111.065 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -76.9 -7.82 56.23 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 122.053 0.93 . . . . 0.0 109.987 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 84.9 m . . . . . 0 N--CA 1.431 -1.423 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 173.45 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . 0.437 ' HA ' ' HB2' ' A' 1581 ' ' LEU . 78.2 m . . . . . 0 CA--C 1.502 -0.888 0 CA-C-O 122.238 1.018 . . . . 0.0 112.148 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.643 ' HA ' ' O ' ' A' 1527 ' ' PHE . 17.5 pt20 -143.33 128.96 19.2 Favored 'General case' 0 N--CA 1.419 -2.025 0 CA-C-N 113.275 -1.784 . . . . 0.0 107.178 172.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 71.3 t -136.09 124.17 36.04 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 6.9 m -96.14 114.24 25.92 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -90.77 115.38 64.12 Favored Pre-proline 0 C--N 1.304 -1.382 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -72.51 -17.59 26.58 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 122.8 2.334 . . . . 0.0 113.865 -173.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 16.5 m -79.99 -36.47 35.97 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.256 -177.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 17.5 p -104.86 -15.69 15.1 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.127 0.489 . . . . 0.0 112.064 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 73.46 20.13 79.8 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 -177.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -101.2 132.44 46.7 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.657 -173.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 69.3 tp -96.53 121.59 38.51 Favored 'General case' 0 N--CA 1.419 -1.983 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.643 ' O ' ' HA ' ' A' 1517 ' ' GLN . 96.4 m-85 -85.98 106.33 17.08 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.13 135.06 47.19 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 123.688 0.617 . . . . 0.0 110.026 175.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 74.1 mt -115.79 15.81 16.36 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 167.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 14.2 m -63.27 -30.48 71.62 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 113.942 -1.481 . . . . 0.0 112.052 -176.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 18.4 m -86.81 -1.37 57.72 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.376 0.608 . . . . 0.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 74.9 mt -116.88 7.48 13.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.769 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 23.0 t -91.97 135.46 33.93 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.156 -177.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -159.36 141.72 7.75 Favored Glycine 0 N--CA 1.426 -2.005 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . 0.548 ' O ' ' HA ' ' A' 1556 ' ' ASN . 22.9 mtm180 -83.57 -15.19 50.11 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -87.47 -35.23 18.36 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 172.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 71.01 -156.69 53.33 Favored Glycine 0 N--CA 1.429 -1.829 0 CA-C-N 113.901 -1.5 . . . . 0.0 113.408 173.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -117.33 135.76 53.62 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 19.6 m -102.82 107.09 17.82 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -88.61 138.09 31.73 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -86.64 117.36 25.35 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.394 -176.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 89.2 t80 . . . . . 0 C--N 1.295 -1.772 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 176.794 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -2.375 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 42.0 t -96.7 105.25 16.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.841 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -82.05 107.41 14.73 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 23.8 ptp -112.23 111.35 22.18 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-O 121.204 0.526 . . . . 0.0 110.453 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . . . . . . . . . 39.3 t -89.94 111.92 23.14 Favored 'General case' 0 N--CA 1.425 -1.679 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 175.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 65.6 mt -81.61 112.55 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.739 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.726 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 73.1 m 71.61 24.15 3.61 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.935 1.294 . . . . 0.0 113.951 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . -154.93 -174.32 24.73 Favored Glycine 0 N--CA 1.426 -1.996 0 C-N-CA 119.704 -1.236 . . . . 0.0 112.368 -178.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -101.89 123.83 46.49 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 123.435 0.694 . . . . 0.0 109.991 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.548 ' HA ' ' O ' ' A' 1535 ' ' ARG . 40.1 t30 -66.32 125.15 24.7 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.432 0.634 . . . . 0.0 111.836 -176.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -77.06 -14.53 59.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.371 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 14.4 m120 -91.58 9.74 30.9 Favored 'General case' 0 C--O 1.246 0.919 0 CA-C-O 121.707 0.765 . . . . 0.0 110.922 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 94.9 m -144.39 174.0 3.9 Favored Pre-proline 0 C--N 1.305 -1.355 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' 1561 ' ' PRO . 71.0 Cg_exo -57.65 133.67 58.03 Favored 'Trans proline' 0 C--O 1.249 1.043 0 C-N-CA 121.546 1.497 . . . . 0.0 111.11 173.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 32.2 Cg_exo -59.79 104.84 0.24 Allowed 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.851 2.367 . . . . 0.0 111.052 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 149.24 -25.62 1.25 Allowed Glycine 0 C--N 1.298 -1.529 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 -177.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 60.7 t -87.56 133.93 29.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 175.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -101.23 -32.41 5.25 Favored Glycine 0 CA--C 1.501 -0.824 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.873 -177.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -134.43 135.95 42.91 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 30.3 m -124.2 133.57 53.51 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 81.1 t80 -105.47 112.75 25.96 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 90.28 162.67 38.48 Favored Glycine 0 N--CA 1.431 -1.689 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -74.46 -6.7 49.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.537 0.684 . . . . 0.0 110.653 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.46 0.65 28.61 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.014 178.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 64.6 29.21 13.16 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 124.357 1.063 . . . . 0.0 110.72 173.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 64.0 mt -73.41 125.35 32.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.025 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 6.0 p -65.44 122.54 17.42 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -176.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.583 HG23 ' HB3' ' A' 1606 ' ' TYR . 14.3 p -122.43 29.77 2.48 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-O 123.291 1.519 . . . . 0.0 107.683 176.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 152.79 135.19 2.15 Favored Glycine 0 N--CA 1.423 -2.184 0 CA-C-N 113.886 -1.507 . . . . 0.0 112.776 177.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 22.7 tptm -75.89 158.06 32.52 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -70.15 76.45 0.51 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.217 0.532 . . . . 0.0 110.848 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 14.8 m120 -86.74 145.17 26.76 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.688 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -128.07 30.06 5.3 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -176.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -90.65 100.7 13.5 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.575 HD11 ' HB3' ' A' 1588 ' ' LEU . 55.7 tp -91.32 127.26 36.68 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 53.3 mtp85 -120.15 138.98 53.28 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.424 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 65.1 t80 -121.79 111.01 16.61 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 15.9 m -139.67 142.26 33.01 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 23.1 t70 42.9 48.75 5.08 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 124.746 1.218 . . . . 0.0 113.054 175.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 57.22 37.09 28.15 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 6.4 p -143.05 134.15 23.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 CA-C-O 121.099 0.476 . . . . 0.0 110.209 174.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.575 ' HB3' HD11 ' A' 1581 ' ' LEU . 80.0 mt -92.74 124.88 37.07 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 175.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -114.11 125.26 53.76 Favored 'General case' 0 C--N 1.284 -2.28 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.051 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 46.5 mt -114.63 124.05 50.86 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 173.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 13.4 p -111.61 133.06 58.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -118.41 93.7 4.21 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 176.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 21.9 pttp -106.04 167.69 9.63 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.458 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 30.0 t70 68.76 112.43 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.885 1.274 . . . . 0.0 111.439 -174.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -159.15 -142.92 3.52 Favored Glycine 0 N--CA 1.428 -1.84 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 22.1 t -72.43 138.94 81.02 Favored Pre-proline 0 C--N 1.3 -1.571 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 177.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 157.95 58.56 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.684 2.256 . . . . 0.0 111.895 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . 0.561 ' H ' ' HB2' ' A' 1604 ' ' LEU . 62.3 m . . . . . 0 C--N 1.298 -1.631 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -177.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . 0.561 ' HB2' ' H ' ' A' 1598 ' ' CYS . 0.6 OUTLIER . . . . . 0 N--CA 1.425 -1.682 0 CA-C-O 122.333 1.063 . . . . 0.0 112.789 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 30.9 m -167.41 119.85 0.92 Allowed 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.819 178.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.583 ' HB3' HG23 ' A' 1574 ' ' VAL . 44.9 m-85 -67.18 116.69 8.26 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 171.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -137.17 156.04 48.82 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.745 -175.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 19.6 m -125.07 140.32 53.0 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.629 -176.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 88.9 t -124.33 113.44 36.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 175.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 54.9 mt -102.97 116.41 46.66 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 11.1 t -104.44 107.51 18.48 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.532 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 86.0 m-85 -92.87 99.48 12.13 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 66.4 t -86.02 134.01 28.3 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.329 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.897 -175.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' 1645 ' ' ALA . 17.1 t -56.74 119.4 6.11 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.286 0.991 . . . . 0.0 111.103 177.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . 0.413 ' HD2' ' HA ' ' A' 1615 ' ' ARG . 25.8 tpt180 -140.48 94.23 8.5 Favored Pre-proline 0 N--CA 1.428 -1.537 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo . . . . . 0 N--CA 1.483 0.885 0 C-N-CA 123.12 2.546 . . . . 0.0 112.345 -178.794 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 . . . . . 0 N--CA 1.425 -1.7 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -69.06 121.54 8.38 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 121.219 1.279 . . . . 0.0 110.171 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 76.4 mtm -123.28 140.25 53.21 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.898 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.5 tt -84.51 117.34 23.62 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -177.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.0 mm -90.37 -53.55 8.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 CA-C-O 121.021 0.438 . . . . 0.0 110.635 -177.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 37.6 m -137.59 131.84 32.21 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.359 -176.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . 0.435 HD22 ' HG ' ' A' 1636 ' ' LEU . 0.8 OUTLIER -105.95 104.45 14.17 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 179.69 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 30.3 t70 -102.36 110.79 22.85 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.339 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -85.53 -1.44 57.09 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -72.75 -53.29 12.02 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 178.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 11.1 p -112.76 14.56 19.95 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.471 0.653 . . . . 0.0 110.601 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 76.3 m 50.93 45.59 27.38 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 114.083 -1.417 . . . . 0.0 111.849 177.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 21.4 m -106.54 120.15 41.18 Favored 'General case' 0 N--CA 1.413 -2.287 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.987 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . 0.435 ' HG ' HD22 ' A' 1629 ' ' LEU . 5.4 mp -98.35 118.04 34.11 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 176.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -93.2 112.37 24.29 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.779 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.07 144.51 38.55 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 21.3 t -125.75 146.62 49.69 Favored 'General case' 0 N--CA 1.417 -2.118 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -136.06 144.14 45.05 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 52.6 m80 -112.41 115.13 28.22 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 8.8 t -140.19 142.03 28.54 Favored Pre-proline 0 N--CA 1.432 -1.349 0 CA-C-O 121.097 0.475 . . . . 0.0 110.158 -176.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -75.59 -6.82 18.09 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.944 2.429 . . . . 0.0 110.843 175.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.3 mt -78.68 -8.05 58.31 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.005 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' 1614 ' ' CYS . . . -104.79 25.8 9.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.448 0.642 . . . . 0.0 109.854 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 83.7 m . . . . . 0 C--N 1.3 -1.544 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.357 -176.665 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . 0.702 ' SG ' ' HB2' ' A' 1529 ' ' LEU . 7.9 t . . . . . 0 C--O 1.25 1.1 0 CA-C-O 121.277 0.561 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.585 ' HB2' HD11 ' A' 1526 ' ' LEU . 10.2 pt20 -163.28 138.14 6.37 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.268 -176.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 59.8 t -122.88 127.17 74.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 28.7 m -98.26 111.76 23.98 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 176.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 47.4 t30 -83.95 109.39 18.46 Favored Pre-proline 0 C--N 1.311 -1.087 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.36 -14.77 40.96 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.452 2.768 . . . . 0.0 115.2 -169.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 13.7 p -76.19 -41.09 50.69 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-O 121.19 0.519 . . . . 0.0 111.046 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 30.7 p -103.25 -18.5 14.86 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 121.203 0.525 . . . . 0.0 111.69 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 79.84 17.61 74.61 Favored Glycine 0 N--CA 1.442 -0.947 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.405 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 32.7 m170 -97.43 136.29 38.09 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.077 0.465 . . . . 0.0 112.103 -175.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . 0.585 HD11 ' HB2' ' A' 1517 ' ' GLN . 52.7 tp -96.53 121.13 38.01 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.785 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -102.07 106.89 17.84 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -124.07 147.91 47.5 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.115 -174.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . 0.702 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 97.2 mt -118.31 29.21 7.9 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.666 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.5 m -52.7 -35.48 55.67 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 124.498 1.119 . . . . 0.0 112.58 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 19.6 m -69.19 -17.42 63.8 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 120.924 0.393 . . . . 0.0 111.893 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 73.2 mt -110.18 -17.39 13.55 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.816 0.341 . . . . 0.0 110.399 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 23.0 t -69.19 117.07 10.37 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.778 -176.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -173.64 154.44 19.93 Favored Glycine 0 N--CA 1.42 -2.425 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . 0.538 ' O ' ' HA ' ' A' 1556 ' ' ASN . 51.6 mtp180 -71.62 -22.65 61.68 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 122.824 0.45 . . . . 0.0 111.813 -176.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -77.03 -24.17 52.08 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.044 0.449 . . . . 0.0 110.162 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . 0.592 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 54.92 -110.66 1.79 Allowed Glycine 0 CA--C 1.493 -1.319 0 CA-C-N 114.602 -1.181 . . . . 0.0 112.898 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 41.9 t80 -152.42 140.1 19.85 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 29.4 m -111.09 114.11 27.14 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -129.03 130.98 47.3 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.704 -177.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -102.68 134.94 45.23 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 86.0 m-85 . . . . . 0 C--N 1.316 -0.857 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.329 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -2.063 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 48.1 t -113.12 114.07 45.86 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.972 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' 1565 ' ' ALA . 89.1 m-85 -103.45 104.36 14.43 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.913 -1.144 . . . . 0.0 107.913 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . 0.592 ' O ' ' HA3' ' A' 1537 ' ' GLY . 23.1 ptp -113.85 141.5 47.25 Favored 'General case' 0 C--N 1.29 -1.999 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . 0.434 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 20.2 t -97.94 161.27 13.81 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 175.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 49.4 mm -119.26 103.59 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.681 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 76.3 m 70.21 37.63 1.6 Allowed 'General case' 0 C--N 1.317 -0.824 0 O-C-N 124.842 1.339 . . . . 0.0 112.95 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . -178.37 -150.32 8.65 Favored Glycine 0 N--CA 1.431 -1.684 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.315 176.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . 0.413 ' HB3' ' HB2' ' A' 1577 ' ' ALA . 0.0 OUTLIER -104.59 152.74 22.06 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 122.76 0.424 . . . . 0.0 110.033 175.839 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . 0.538 ' HA ' ' O ' ' A' 1535 ' ' ARG . 25.9 t-20 -91.36 129.07 37.4 Favored 'General case' 0 C--N 1.306 -1.295 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.016 -176.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -75.0 -10.57 59.6 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -175.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 17.3 m120 -91.48 -10.94 39.0 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 175.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 74.0 m -102.38 165.87 13.04 Favored Pre-proline 0 C--N 1.303 -1.432 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.145 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -60.21 140.87 94.34 Favored 'Trans proline' 0 CA--C 1.546 1.087 0 C-N-CA 122.201 1.934 . . . . 0.0 110.521 171.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -56.62 104.5 0.14 Allowed 'Trans proline' 0 N--CA 1.478 0.605 0 C-N-CA 123.654 2.902 . . . . 0.0 112.974 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 131.96 -22.2 4.31 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 90.9 t -87.79 130.33 37.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -90.05 -27.14 22.09 Favored Glycine 0 N--CA 1.438 -1.218 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.751 -177.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' 1549 ' ' TYR . . . -153.71 138.38 16.96 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 120.758 0.313 . . . . 0.0 110.908 -179.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 86.0 m -121.4 138.32 54.32 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 122.954 0.502 . . . . 0.0 110.157 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 88.2 t80 -112.37 113.45 25.65 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 95.94 167.62 34.71 Favored Glycine 0 C--N 1.31 -0.879 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.936 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -78.67 -7.48 57.71 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 11.7 m -89.06 -3.75 58.58 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 173.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 59.55 45.91 12.75 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 125.957 1.703 . . . . 0.0 113.038 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 95.5 mt -60.43 114.76 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 174.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 34.6 p -64.71 122.64 17.34 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.015 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.49 HG23 ' HB3' ' A' 1606 ' ' TYR . 14.9 p -109.51 27.37 2.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 CA-C-O 122.559 1.171 . . . . 0.0 108.762 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 151.4 150.55 5.36 Favored Glycine 0 N--CA 1.43 -1.723 0 CA-C-N 114.732 -1.122 . . . . 0.0 114.354 173.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.5 ' HE2' ' O ' ' A' 1594 ' ' ASP . 75.4 mmtt -81.79 154.53 25.89 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . 0.413 ' HB2' ' HB3' ' A' 1555 ' ' GLU . . . -66.97 147.48 53.17 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.605 -177.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 9.1 p30 -161.28 150.34 16.34 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 22.1 pttp -128.96 10.58 5.94 Favored 'General case' 0 C--N 1.312 -1.025 0 O-C-N 123.953 0.783 . . . . 0.0 111.043 -175.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -100.14 115.78 30.62 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-O 121.298 0.571 . . . . 0.0 111.343 -178.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' 1588 ' ' LEU . 79.0 mt -82.2 138.6 34.63 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 115.03 -0.987 . . . . 0.0 109.506 176.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -107.62 112.83 25.74 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 175.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 24.2 t80 -92.68 100.18 12.73 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . 0.418 ' O ' HG22 ' A' 1587 ' ' VAL . 14.8 m -133.31 135.37 56.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.202 -177.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 56.45 34.64 24.61 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.439 0.696 . . . . 0.0 112.479 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 25.8 mp0 60.78 30.65 19.81 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 115.29 -0.868 . . . . 0.0 113.245 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' 1584 ' ' VAL . 22.2 m -135.04 152.2 32.24 Favored 'Isoleucine or valine' 0 C--O 1.244 0.806 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 173.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.51 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 79.3 mt -98.0 122.54 41.25 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -108.22 124.05 49.69 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.987 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . 0.434 ' HG ' HD23 ' A' 1581 ' ' LEU . 53.9 mt -115.91 123.48 48.2 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 170.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.5 p -121.06 107.2 19.89 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 CA-C-O 122.193 0.997 . . . . 0.0 111.126 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -89.85 96.86 10.88 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 58.5 pttt -115.03 179.41 3.96 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 -175.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . 0.5 ' O ' ' HE2' ' A' 1576 ' ' LYS . 62.6 m-20 62.6 43.04 7.9 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.126 1.37 . . . . 0.0 110.97 178.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -83.07 -118.93 0.63 Allowed Glycine 0 N--CA 1.437 -1.297 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.128 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . . . . . . . . . 32.1 t -86.06 132.98 41.99 Favored Pre-proline 0 C--N 1.3 -1.562 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -63.17 120.93 8.58 Favored 'Trans proline' 0 C--O 1.254 1.275 0 C-N-CA 122.867 2.378 . . . . 0.0 110.707 175.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 61.2 m . . . . . 0 C--N 1.312 -1.022 0 C-N-CA 123.716 0.806 . . . . 0.0 111.116 -176.721 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.438 -1.055 0 CA-C-O 121.236 0.541 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 11.7 p -128.12 145.56 50.97 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.164 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.49 ' HB3' HG23 ' A' 1574 ' ' VAL . 84.3 m-85 -63.73 128.19 34.72 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.111 178.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -136.89 145.22 44.09 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.126 -177.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 6.8 p -119.23 131.36 55.8 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.521 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 62.0 t -113.05 111.55 36.61 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 58.9 mt -102.4 112.2 34.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 15.4 m -105.75 116.63 32.28 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.034 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.51 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 80.7 m-85 -90.42 107.51 19.2 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' 1641 ' ' HIS . 22.3 t -102.08 136.56 33.62 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . 0.633 ' HA ' ' O ' ' A' 1642 ' ' THR . 34.5 m -68.32 124.85 24.63 Favored 'General case' 0 C--N 1.31 -1.124 0 C-N-CA 122.998 0.519 . . . . 0.0 112.005 -175.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -140.3 108.33 6.76 Favored Pre-proline 0 C--N 1.315 -0.9 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.448 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo . . . . . 0 N--CA 1.489 1.246 0 C-N-CA 123.095 2.53 . . . . 0.0 111.527 178.096 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 . . . . . 0 N--CA 1.44 -0.967 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . 0.554 ' HA ' ' O ' ' A' 1639 ' ' SER . 72.2 Cg_endo -89.65 143.96 4.47 Favored 'Trans proline' 0 N--CA 1.431 -2.158 0 C-N-CA 121.483 1.455 . . . . 0.0 111.283 177.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 19.8 mmt -119.96 153.3 36.15 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 173.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.6 tt -90.88 102.35 15.11 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 -178.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.0 mm -80.15 -51.91 15.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.613 -174.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 19.6 m -137.26 127.01 25.46 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 120.479 -0.489 . . . . 0.0 110.197 -177.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.62 102.99 14.65 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 105.504 -2.036 . . . . 0.0 105.504 176.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 14.4 t70 -109.73 100.99 9.92 Favored 'General case' 0 C--N 1.291 -1.941 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.218 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -84.11 -7.31 59.41 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -72.06 -46.49 56.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.302 0.572 . . . . 0.0 110.438 -178.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 37.5 p -106.59 8.15 31.1 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.712 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 71.4 m 57.49 40.48 27.09 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.964 -179.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 25.4 m -121.63 122.29 39.28 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-O 121.122 0.487 . . . . 0.0 110.417 -175.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.39 122.17 43.75 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -95.49 119.23 33.63 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.084 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -116.89 143.32 45.83 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . 0.554 ' O ' ' HA ' ' A' 1624 ' ' PRO . 10.0 t -126.23 133.0 51.61 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -119.15 135.36 54.7 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . 0.429 ' HA ' ' O ' ' A' 1613 ' ' VAL . 88.4 m-70 -112.03 101.54 9.82 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 119.331 -0.948 . . . . 0.0 111.479 -177.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . 0.633 ' O ' ' HA ' ' A' 1614 ' ' CYS . 4.9 t -126.53 137.9 31.33 Favored Pre-proline 0 C--N 1.312 -1.055 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.575 -177.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.71 -10.63 18.51 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.765 2.31 . . . . 0.0 112.322 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.31 -13.19 60.16 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -176.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -77.93 -10.01 59.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.458 0.647 . . . . 0.0 111.265 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 97.3 m . . . . . 0 C--N 1.306 -1.304 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.126 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1516 ' ' CYS . . . . . 0.442 ' HA ' ' HB2' ' A' 1581 ' ' LEU . 52.0 m . . . . . 0 CA--C 1.506 -0.737 0 CA-C-O 121.495 0.664 . . . . 0.0 111.899 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1517 ' ' GLN . . . . . 0.469 ' HB2' HD11 ' A' 1526 ' ' LEU . 18.2 pt20 -138.82 129.55 26.25 Favored 'General case' 0 N--CA 1.419 -1.995 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.551 178.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 60.9 t -125.42 127.07 71.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -178.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1519 ' ' THR . . . . . . . . . . . . . 10.7 m -99.49 111.64 23.97 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -100.75 116.1 64.56 Favored Pre-proline 0 C--N 1.317 -0.821 0 C-N-CA 120.681 -0.408 . . . . 0.0 109.925 178.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.96 -21.95 52.35 Favored 'Trans proline' 0 N--CA 1.484 0.952 0 C-N-CA 123.825 3.017 . . . . 0.0 113.344 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1522 ' ' SER . . . . . . . . . . . . . 13.3 m -64.65 -41.11 96.35 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-O 121.24 0.543 . . . . 0.0 111.014 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1523 ' ' THR . . . . . . . . . . . . . 1.7 p -104.29 -28.54 11.34 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.124 0.488 . . . . 0.0 112.142 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 79.83 14.07 81.42 Favored Glycine 0 N--CA 1.442 -0.966 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 6.0 t60 -107.97 139.04 43.18 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -175.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1526 ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' 1517 ' ' GLN . 64.7 tp -87.6 110.33 20.3 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 177.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1527 ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' 1517 ' ' GLN . 78.0 m-85 -93.52 114.33 26.67 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.2 p30 -122.51 162.59 21.48 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.769 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 97.6 mt -121.09 28.2 8.0 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.522 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1530 ' ' SER . . . . . . . . . . . . . 79.9 p -61.37 -31.96 71.86 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -175.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1531 ' ' SER . . . . . . . . . . . . . 15.9 m -65.76 -24.1 66.87 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.041 0.448 . . . . 0.0 111.302 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 73.0 mt -103.12 6.92 38.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.121 0.486 . . . . 0.0 110.329 -176.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1533 ' ' SER . . . . . . . . . . . . . 19.3 m -87.91 97.22 10.82 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-O 121.399 0.619 . . . . 0.0 111.45 -176.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -111.28 146.29 17.74 Favored Glycine 0 C--N 1.3 -1.429 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -74.86 -31.91 61.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 117.832 0.816 . . . . 0.0 111.675 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -92.35 -14.98 27.93 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 121.616 0.722 . . . . 0.0 109.212 174.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1537 ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' 1551 ' ' SER . . . 68.14 -136.19 30.4 Favored Glycine 0 N--CA 1.427 -1.916 0 CA-C-N 114.805 -1.089 . . . . 0.0 112.642 177.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -130.54 135.94 48.43 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1539 ' ' THR . . . . . . . . . . . . . 4.6 m -109.88 107.81 17.89 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -110.42 139.59 45.48 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.732 -177.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -110.16 111.05 22.15 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 84.2 m-85 . . . . . 0 C--N 1.301 -1.524 0 CA-C-O 119.461 -0.304 . . . . 0.0 110.184 -178.367 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.951 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 54.9 t -122.73 112.68 35.14 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.931 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1549 ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' 1565 ' ' ALA . 52.1 m-85 -93.32 104.13 16.32 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 -178.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.3 ptp -120.59 121.93 39.45 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.445 -178.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1551 ' ' SER . . . . . 0.47 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 31.6 t -96.98 114.17 25.77 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 175.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 50.2 mm -79.28 112.07 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 31.4 t 72.33 52.32 0.18 Allowed 'General case' 0 C--N 1.316 -0.857 0 O-C-N 124.32 1.012 . . . . 0.0 111.897 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 163.31 -171.62 39.07 Favored Glycine 0 N--CA 1.426 -2.008 0 C-N-CA 119.648 -1.263 . . . . 0.0 111.617 176.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.76 147.15 23.2 Favored 'General case' 0 N--CA 1.423 -1.785 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -92.72 128.24 38.51 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -176.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -69.55 -11.83 61.15 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.929 0.395 . . . . 0.0 111.945 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -88.5 0.23 56.51 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 74.6 m -126.91 163.01 44.07 Favored Pre-proline 0 C--N 1.303 -1.417 0 C-N-CA 123.485 0.714 . . . . 0.0 109.507 -178.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -52.7 145.85 37.37 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.963 2.442 . . . . 0.0 111.369 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -51.32 99.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 123.763 2.975 . . . . 0.0 112.825 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1562 ' ' GLY . . . . . 0.436 ' O ' ' HD2' ' A' 1576 ' ' LYS . . . 125.16 -17.12 7.12 Favored Glycine 0 N--CA 1.439 -1.101 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.904 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 65.8 t -88.01 130.36 37.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -97.36 -29.78 7.71 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.56 -0.828 . . . . 0.0 113.111 -175.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1565 ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' 1549 ' ' TYR . . . -137.22 138.03 39.72 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.423 -177.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 71.9 m -131.73 137.38 48.21 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.096 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 83.6 t80 -109.89 130.14 55.56 Favored 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 122.869 0.468 . . . . 0.0 110.638 -178.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 89.76 170.03 44.12 Favored Glycine 0 N--CA 1.437 -1.287 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.418 175.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -72.36 -22.02 61.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.812 0.339 . . . . 0.0 111.611 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1570 ' ' THR . . . . . . . . . . . . . 20.4 m -80.84 -8.61 59.75 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 122.475 1.131 . . . . 0.0 109.227 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 60.54 55.17 3.49 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 125.766 1.626 . . . . 0.0 111.822 175.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 68.7 mt -66.99 124.4 22.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1573 ' ' SER . . . . . . . . . . . . . 3.0 p -60.18 110.8 1.31 Allowed 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 121.418 0.628 . . . . 0.0 111.58 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1574 ' ' VAL . . . . . 0.581 HG23 ' HB3' ' A' 1606 ' ' TYR . 12.4 p -113.17 21.46 6.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-O 122.085 0.945 . . . . 0.0 109.861 -176.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 161.75 131.95 1.28 Allowed Glycine 0 N--CA 1.43 -1.711 0 C-N-CA 119.056 -1.545 . . . . 0.0 114.233 176.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1576 ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' A' 1562 ' ' GLY . 28.6 tptp -76.04 145.33 40.25 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 176.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -62.14 87.9 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -176.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.51 131.83 41.26 Favored 'General case' 0 CA--C 1.493 -1.222 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 176.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -114.81 1.55 14.14 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -67.61 93.87 0.39 Allowed 'General case' 0 C--O 1.25 1.116 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.642 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1581 ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' 1516 ' ' CYS . 0.6 OUTLIER -75.92 127.29 32.68 Favored 'General case' 0 CA--C 1.493 -1.249 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 176.264 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -112.54 127.14 55.99 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.65 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1583 ' ' TYR . . . . . 0.455 ' CE1' ' HA ' ' A' 1586 ' ' GLN . 80.2 t80 -101.46 102.86 13.72 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 175.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 8.2 m -131.83 127.0 58.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.35 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 31.4 t70 51.8 50.17 19.23 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 122.509 1.147 . . . . 0.0 111.721 179.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1586 ' ' GLN . . . . . 0.455 ' HA ' ' CE1' ' A' 1583 ' ' TYR . 79.2 mt-30 63.17 14.84 8.05 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 177.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 12.8 p -123.51 141.95 41.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 177.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1588 ' ' LEU . . . . . 0.464 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 95.9 mt -92.44 131.25 37.75 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -137.75 135.45 36.37 Favored 'General case' 0 C--N 1.291 -1.975 0 C-N-CA 119.203 -0.999 . . . . 0.0 111.503 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 67.4 mt -114.3 123.39 49.39 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 176.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 57.8 t -113.18 108.12 24.71 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.326 0 CA-C-O 121.128 0.489 . . . . 0.0 110.082 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -88.76 88.9 7.77 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1593 ' ' LYS . . . . . 0.407 ' H ' ' HG2' ' A' 1593 ' ' LYS . 9.7 ptpp? -97.31 177.88 5.41 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 113.168 -1.833 . . . . 0.0 109.903 -175.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 26.0 t70 55.65 62.84 2.26 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 122.227 1.013 . . . . 0.0 113.129 177.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -104.47 -144.08 12.84 Favored Glycine 0 N--CA 1.437 -1.28 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 174.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1596 ' ' SER . . . . . 0.425 ' O ' ' HD1' ' A' 1606 ' ' TYR . 20.1 t -64.41 134.61 96.04 Favored Pre-proline 0 C--N 1.311 -1.078 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 178.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.35 147.33 82.84 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.368 2.045 . . . . 0.0 112.354 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 61.5 m . . . . . 0 C--N 1.309 -1.186 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 -176.816 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.443 -0.812 0 CA-C-O 122.223 1.011 . . . . 0.0 113.723 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1605 ' ' SER . . . . . . . . . . . . . 15.1 p -178.33 124.3 0.11 Allowed 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.486 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1606 ' ' TYR . . . . . 0.581 ' HB3' HG23 ' A' 1574 ' ' VAL . 49.1 m-85 -65.27 124.79 23.13 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 171.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -139.5 144.6 38.01 Favored 'General case' 0 N--CA 1.424 -1.733 0 CA-C-O 121.389 0.614 . . . . 0.0 110.798 -176.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1608 ' ' SER . . . . . . . . . . . . . 32.8 t -113.9 126.28 54.99 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.002 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.6 t -111.69 107.92 24.17 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 60.7 mt -104.26 111.08 32.44 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1611 ' ' SER . . . . . . . . . . . . . 13.0 t -98.3 127.19 44.11 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1612 ' ' PHE . . . . . 0.464 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 97.7 m-85 -105.95 104.54 14.27 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -176.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 53.0 t -98.27 138.39 23.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.07 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 29.4 t -61.26 100.66 0.13 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.332 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -136.13 88.57 21.53 Favored Pre-proline 0 C--N 1.308 -1.201 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo . . . . . 0 N--CA 1.48 0.732 0 C-N-CA 123.887 3.058 . . . . 0.0 113.755 -177.649 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 . . . . . 0 C--O 1.243 0.73 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -74.44 123.3 8.06 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.347 2.032 . . . . 0.0 110.83 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1625 ' ' MET . . . . . . . . . . . . . 24.5 mmt -113.45 140.25 48.24 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.636 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.8 tt -80.92 115.8 20.58 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 46.4 mm -93.46 -52.77 9.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.674 -177.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1628 ' ' SER . . . . . . . . . . . . . 22.3 m -139.51 134.94 32.94 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.916 -0.49 . . . . 0.0 110.961 -177.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.35 109.64 21.43 Favored 'General case' 0 N--CA 1.435 -1.19 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 12.0 t70 -113.53 98.95 7.39 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -82.71 -13.35 56.53 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 121.171 0.51 . . . . 0.0 110.627 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -71.9 -45.81 59.96 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.596 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1633 ' ' THR . . . . . . . . . . . . . 24.0 p -105.55 12.02 31.77 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.769 0.795 . . . . 0.0 110.141 175.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 37.8 m 52.9 46.33 26.99 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 113.914 -1.494 . . . . 0.0 111.385 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1635 ' ' THR . . . . . . . . . . . . . 26.6 m -115.78 117.04 29.11 Favored 'General case' 0 N--CA 1.415 -2.195 0 CA-C-O 121.319 0.581 . . . . 0.0 110.117 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.6 mp -99.09 112.96 24.96 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -87.79 112.66 22.68 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.347 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -115.64 143.86 44.75 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1639 ' ' SER . . . . . . . . . . . . . 32.7 t -125.99 125.94 43.51 Favored 'General case' 0 N--CA 1.408 -2.53 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 176.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -103.51 136.04 43.98 Favored 'General case' 0 N--CA 1.41 -2.45 0 N-CA-C 105.45 -2.056 . . . . 0.0 105.45 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 41.3 m-70 -104.75 109.67 21.7 Favored 'General case' 0 C--N 1.281 -2.371 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -177.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1642 ' ' THR . . . . . . . . . . . . . 5.1 t -138.95 141.35 29.92 Favored Pre-proline 0 C--N 1.312 -1.047 0 CA-C-O 121.546 0.688 . . . . 0.0 112.353 -175.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -70.78 -10.0 26.87 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 123.505 2.803 . . . . 0.0 111.523 173.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.11 -10.61 59.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.034 0.445 . . . . 0.0 111.0 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.77 12.07 33.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.743 0.783 . . . . 0.0 109.922 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 65.2 m . . . . . 0 C--N 1.296 -1.746 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.104 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 87.7 mtp . . . . . 0 CA--C 1.503 -0.849 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 67.6 mttm -89.68 87.82 7.16 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 42.7 m -146.63 37.6 1.0 Allowed 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 8.4 p30 -131.85 15.68 4.78 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.625 -176.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -73.15 112.7 9.44 Favored 'General case' 0 N--CA 1.433 -1.29 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -112.67 77.04 1.01 Allowed 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 176.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 13.4 t70 -101.91 97.65 7.98 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 -176.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -87.5 -67.43 0.82 Allowed 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -170.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 96.8 m 56.89 62.2 2.34 Favored 'General case' 0 C--O 1.249 1.074 0 CA-C-O 121.456 0.646 . . . . 0.0 110.324 -172.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.445 ' HA ' ' O ' ' A' 1527 ' ' PHE . 21.3 pt20 -148.37 139.55 23.29 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -178.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 57.4 t -130.68 132.73 64.14 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.022 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 19.5 m -99.71 136.34 39.78 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 41.6 t30 -104.91 106.29 54.66 Favored Pre-proline 0 C--N 1.314 -0.967 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 174.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.43 -26.8 55.39 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 124.029 3.153 . . . . 0.0 113.937 -176.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.8 m -60.15 -50.87 71.98 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 122.659 0.384 . . . . 0.0 111.146 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 8.5 p -98.08 -27.24 14.3 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 121.611 0.72 . . . . 0.0 111.896 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 90.51 1.97 73.77 Favored Glycine 0 N--CA 1.441 -0.973 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -175.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -77.23 139.42 39.86 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 124.003 0.921 . . . . 0.0 111.266 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 66.9 tp -105.95 127.16 52.96 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.134 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' 1517 ' ' GLN . 72.0 m-85 -97.45 106.57 18.91 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 175.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.4 p30 -122.29 149.79 43.23 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 92.2 mt -116.3 26.68 9.74 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 121.37 0.605 . . . . 0.0 109.915 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 18.4 m -68.62 -29.9 68.51 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.182 -175.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 7.7 p -72.85 -22.14 60.83 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.982 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 86.2 mt -99.69 -2.6 34.96 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.68 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 17.6 t -76.64 138.34 40.01 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -152.63 153.99 25.23 Favored Glycine 0 CA--C 1.498 -0.991 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -178.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -84.1 -40.3 18.45 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.199 0.523 . . . . 0.0 109.922 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -83.96 -20.17 33.37 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 176.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 67.7 -134.73 30.36 Favored Glycine 0 N--CA 1.434 -1.449 0 CA-C-N 114.152 -1.385 . . . . 0.0 113.52 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 55.8 t80 -130.12 132.84 46.28 Favored 'General case' 0 C--N 1.293 -1.87 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 26.7 m -108.04 110.67 22.42 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -97.74 128.05 44.12 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.619 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -88.48 119.79 29.25 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 121.222 0.534 . . . . 0.0 110.152 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 91.0 t80 -90.51 131.03 36.48 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 115.252 -0.886 . . . . 0.0 108.957 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -66.94 84.08 0.12 Allowed 'General case' 0 C--O 1.243 0.755 0 C-N-CA 124.393 1.077 . . . . 0.0 112.317 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 23.6 tptm 174.07 -28.32 0.0 OUTLIER 'General case' 0 C--N 1.313 -1.017 0 C-N-CA 125.79 1.636 . . . . 0.0 107.489 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 115.1 45.93 0.61 Allowed Glycine 0 N--CA 1.43 -1.762 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.818 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 97.4 m95 -132.0 132.81 43.78 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -102.38 120.0 6.66 Favored Glycine 0 N--CA 1.431 -1.693 0 N-CA-C 110.3 -1.12 . . . . 0.0 110.3 178.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 44.1 t -93.15 114.15 29.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -93.64 104.67 16.76 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 107.848 -1.168 . . . . 0.0 107.848 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 23.1 ptm -126.05 125.19 42.2 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 120.938 0.399 . . . . 0.0 111.049 -176.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 69.0 m -107.02 130.66 54.62 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.105 176.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 50.9 mm -78.9 104.4 6.82 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 85.3 m 64.85 81.68 0.2 Allowed 'General case' 0 C--N 1.316 -0.858 0 O-C-N 124.526 1.141 . . . . 0.0 112.125 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 153.32 -176.28 31.43 Favored Glycine 0 N--CA 1.414 -2.783 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.05 176.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . 0.449 ' OE1' ' HA ' ' A' 1561 ' ' PRO . 0.0 OUTLIER -104.61 133.54 49.29 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.609 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.529 ' HB3' ' SG ' ' A' 1559 ' ' CYS . 23.1 t-20 -80.34 139.04 36.76 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.049 -172.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -55.91 -28.83 58.54 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.116 1.366 . . . . 0.0 113.618 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -89.62 -15.06 33.57 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 121.962 0.887 . . . . 0.0 109.598 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . 0.529 ' SG ' ' HB3' ' A' 1556 ' ' ASN . 92.6 m -94.52 154.24 40.19 Favored Pre-proline 0 C--N 1.299 -1.607 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.948 -177.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -64.0 139.68 68.7 Favored 'Trans proline' 0 C--O 1.246 0.88 0 C-N-CA 122.13 1.887 . . . . 0.0 109.443 173.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . 0.449 ' HA ' ' OE1' ' A' 1555 ' ' GLU . 6.7 Cg_endo -47.54 104.16 0.07 OUTLIER 'Trans proline' 0 C--N 1.356 0.921 0 C-N-CA 124.25 3.3 . . . . 0.0 114.379 -175.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 126.48 -19.71 6.26 Favored Glycine 0 N--CA 1.447 -0.609 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.143 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 86.9 t -88.97 131.21 36.87 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -95.73 -25.06 13.98 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.569 -0.824 . . . . 0.0 113.361 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -142.89 131.56 22.58 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 120.755 0.312 . . . . 0.0 110.862 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 78.2 m -125.58 133.69 52.19 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.123 0.487 . . . . 0.0 110.344 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 44.0 t80 -98.29 114.31 26.55 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.854 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 81.3 179.77 53.16 Favored Glycine 0 N--CA 1.441 -0.972 0 N-CA-C 115.1 0.8 . . . . 0.0 115.1 171.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -67.77 -25.96 65.87 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 124.496 1.118 . . . . 0.0 112.579 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 16.3 m -80.92 -6.55 58.82 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 122.044 0.926 . . . . 0.0 108.926 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 58.57 44.49 17.6 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 113.978 -1.465 . . . . 0.0 111.824 172.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 72.2 mt -64.67 117.15 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 CA-C-N 114.898 -1.046 . . . . 0.0 108.576 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 14.7 p -62.11 119.03 8.15 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-O 121.239 0.542 . . . . 0.0 111.37 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.494 HG23 ' HB3' ' A' 1606 ' ' TYR . 10.7 p -117.17 31.74 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 CA-C-O 123.182 1.468 . . . . 0.0 108.614 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . 0.47 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 153.01 127.77 1.25 Allowed Glycine 0 N--CA 1.421 -2.325 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.908 177.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 48.4 tptt -76.86 149.19 36.16 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 174.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -61.39 104.92 0.45 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.264 0.554 . . . . 0.0 110.928 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -114.66 153.47 30.15 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.818 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 21.2 pttm -133.18 15.63 4.16 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 121.472 0.653 . . . . 0.0 110.624 -178.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -82.77 91.54 7.06 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.397 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.615 HD11 ' HB3' ' A' 1588 ' ' LEU . 57.5 tp -86.68 119.27 26.74 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 177.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 73.2 mtp180 -107.23 135.16 49.22 Favored 'General case' 0 C--N 1.293 -1.853 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 39.1 t80 -105.85 100.84 10.38 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 16.5 m -131.69 124.22 53.55 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.559 -175.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 34.2 t70 60.49 39.14 18.6 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 122.323 1.058 . . . . 0.0 110.735 176.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 64.9 22.64 12.51 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.062 1.345 . . . . 0.0 112.593 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 57.4 t -125.51 135.52 63.71 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.615 ' HB3' HD11 ' A' 1581 ' ' LEU . 96.8 mt -90.19 132.03 35.7 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 175.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -130.59 129.49 42.82 Favored 'General case' 0 C--N 1.282 -2.354 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.746 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 49.6 mt -115.17 123.6 49.32 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.917 -1.038 . . . . 0.0 108.751 175.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 57.9 t -113.71 112.82 41.89 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 CA-C-O 121.302 0.572 . . . . 0.0 109.527 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . 0.47 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 96.7 m-85 -92.49 87.93 6.16 Favored 'General case' 0 C--N 1.289 -2.03 0 CA-C-O 122.03 0.919 . . . . 0.0 108.701 176.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 20.7 pttp -82.63 171.24 14.26 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 113.42 -1.718 . . . . 0.0 111.447 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 37.8 t70 57.6 80.72 0.16 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.222 1.409 . . . . 0.0 112.572 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -109.28 -154.0 15.51 Favored Glycine 0 C--N 1.293 -1.822 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 176.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 28.1 m -71.96 126.44 91.32 Favored Pre-proline 0 C--N 1.297 -1.679 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -54.56 122.51 11.7 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.777 2.318 . . . . 0.0 110.366 174.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 58.2 m -67.31 117.66 48.81 Favored Pre-proline 0 C--N 1.309 -1.183 0 C-N-CA 123.285 0.634 . . . . 0.0 109.616 -178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -50.62 -30.86 29.88 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 124.045 3.163 . . . . 0.0 114.043 -178.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 25.1 t -93.87 -19.66 20.77 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 111.424 0.157 . . . . 0.0 111.424 -178.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -121.04 106.66 11.79 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.113 0.483 . . . . 0.0 112.074 -175.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 22.7 t -69.36 125.81 27.85 Favored 'General case' 0 N--CA 1.431 -1.383 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 97.24 -15.1 62.88 Favored Glycine 0 N--CA 1.431 -1.636 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.263 177.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 80.2 mt -107.95 151.05 26.32 Favored 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 117.106 0.453 . . . . 0.0 111.227 -177.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 77.9 p -137.04 157.52 46.53 Favored 'General case' 0 N--CA 1.429 -1.497 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.173 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.494 ' HB3' HG23 ' A' 1574 ' ' VAL . 98.5 m-85 -67.94 118.08 10.66 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.004 178.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -126.09 147.71 49.52 Favored 'General case' 0 C--O 1.246 0.913 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.874 -174.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 44.6 m -112.04 125.9 54.59 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.04 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 84.1 t -113.33 111.68 37.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.373 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 177.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 52.4 mt -102.96 121.94 54.75 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 27.9 t -107.78 110.48 22.29 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.556 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 87.2 m-85 -94.31 99.59 11.78 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.6 t -80.66 131.49 33.86 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.984 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 -177.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 15.6 t -70.55 90.53 0.75 Allowed 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.713 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -121.5 99.06 45.69 Favored Pre-proline 0 C--N 1.299 -1.612 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -67.63 -23.63 42.49 Favored 'Trans proline' 0 C--O 1.244 0.779 0 C-N-CA 122.083 1.855 . . . . 0.0 109.344 175.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -88.24 40.26 0.94 Allowed 'General case' 0 C--N 1.317 -0.81 0 C-N-CA 126.018 1.727 . . . . 0.0 108.715 178.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -72.57 132.33 43.64 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.057 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -112.93 -133.48 5.89 Favored Glycine 0 N--CA 1.427 -1.904 0 N-CA-C 110.269 -1.133 . . . . 0.0 110.269 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -71.82 -0.32 8.22 Favored 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 122.91 2.407 . . . . 0.0 111.04 177.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . 0.417 HG22 ' SD ' ' A' 1625 ' ' MET . 9.1 p -83.76 16.5 2.71 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 125.126 1.37 . . . . 0.0 111.982 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 9.0 p30 -83.53 37.55 0.58 Allowed 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 122.395 1.093 . . . . 0.0 109.656 178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 40.3 mtm105 -142.41 157.81 61.99 Favored Pre-proline 0 C--N 1.299 -1.612 0 N-CA-C 104.956 -2.239 . . . . 0.0 104.956 -176.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.438 ' HD3' ' CZ3' ' A' 1640 ' ' TRP . 54.1 Cg_endo -75.04 121.31 6.48 Favored 'Trans proline' 0 N--CA 1.446 -1.285 0 C-N-CA 120.828 1.019 . . . . 0.0 110.579 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . 0.417 ' SD ' HG22 ' A' 1621 ' ' THR . 63.0 mtp -102.51 130.89 49.47 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.4 tt -81.1 100.73 9.19 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 -177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.3 mm -86.06 -42.74 16.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.601 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -175.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 35.0 t -140.23 126.3 19.71 Favored 'General case' 0 N--CA 1.421 -1.921 0 C-N-CA 120.146 -0.622 . . . . 0.0 109.912 -177.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.55 113.89 27.75 Favored 'General case' 0 N--CA 1.435 -1.206 0 N-CA-C 105.701 -1.962 . . . . 0.0 105.701 176.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.1 t70 -112.34 110.65 21.0 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 120.939 0.4 . . . . 0.0 110.31 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 67.3 mttm -84.21 -29.74 26.31 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.108 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -62.9 -45.51 92.19 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -174.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 17.6 p -111.71 11.99 21.06 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-O 121.307 0.575 . . . . 0.0 111.088 178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 59.0 m 56.5 53.05 9.02 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.577 -1.192 . . . . 0.0 112.14 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 38.1 m -126.1 125.9 43.31 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.836 -0.54 . . . . 0.0 110.814 -177.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.67 123.31 47.38 Favored 'General case' 0 C--N 1.311 -1.071 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -99.67 114.13 27.01 Favored 'General case' 0 C--O 1.252 1.198 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.564 -178.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -110.96 130.85 55.46 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.755 178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 44.3 t -108.76 128.55 54.98 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . 0.438 ' CZ3' ' HD3' ' A' 1624 ' ' PRO . 2.2 t-105 -119.44 128.82 54.38 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 18.1 m170 -97.51 101.84 13.47 Favored 'General case' 0 C--N 1.308 -1.235 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.8 t -127.75 141.4 40.94 Favored Pre-proline 0 N--CA 1.431 -1.393 0 CA-C-O 121.149 0.499 . . . . 0.0 110.766 -177.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -81.79 0.13 10.04 Favored 'Trans proline' 0 CA--C 1.541 0.845 0 C-N-CA 122.865 2.377 . . . . 0.0 110.854 174.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 97.0 mt -84.68 -5.2 59.3 Favored 'General case' 0 C--O 1.226 -0.133 0 CA-C-O 121.353 0.597 . . . . 0.0 110.589 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -97.77 9.64 42.12 Favored 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 63.7 m -119.19 155.95 30.74 Favored 'General case' 0 N--CA 1.425 -1.707 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.055 -175.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -120.05 112.25 18.9 Favored 'General case' 0 N--CA 1.427 -1.613 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 175.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 37.7 tp -73.11 98.92 2.67 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.529 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.919 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' 1512 ' ' GLU . 4.6 tppp? -88.44 136.24 33.08 Favored 'General case' 0 N--CA 1.431 -1.375 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 177.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 6.9 t -75.19 126.93 32.04 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 105.111 -2.181 . . . . 0.0 105.111 173.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 4.6 m-20 72.99 45.97 0.26 Allowed 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.755 0.788 . . . . 0.0 109.543 -173.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' A' 1509 ' ' LYS . 31.3 tt0 -85.1 104.15 14.74 Favored 'General case' 0 C--O 1.245 0.861 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 178.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 21.0 t60 -121.69 131.39 54.07 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -174.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -78.67 122.01 25.42 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 177.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -117.71 -67.39 0.99 Allowed 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.134 -176.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 39.0 m 62.55 62.06 1.16 Allowed 'General case' 0 C--O 1.256 1.443 0 CA-C-O 122.314 1.055 . . . . 0.0 110.558 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.421 ' HB2' HD11 ' A' 1526 ' ' LEU . 10.0 pt20 -140.08 139.6 35.92 Favored 'General case' 0 N--CA 1.425 -1.686 0 CA-C-N 113.979 -1.464 . . . . 0.0 108.994 -179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . 0.548 HG23 HD13 ' A' 1581 ' ' LEU . 96.2 t -117.75 125.43 74.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 16.8 m -107.36 113.73 27.3 Favored 'General case' 0 N--CA 1.426 -1.673 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . 0.47 HD22 ' HG2' ' A' 1647 ' ' GLU . 93.7 m-20 -100.85 107.02 47.46 Favored Pre-proline 0 C--N 1.3 -1.557 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -65.58 -15.42 49.39 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 122.838 2.358 . . . . 0.0 111.761 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 1.6 p -61.66 -48.64 79.91 Favored 'General case' 0 N--CA 1.435 -1.222 0 C-N-CA 124.081 0.952 . . . . 0.0 111.344 177.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . 0.423 HG21 ' HB3' ' A' 1647 ' ' GLU . 3.2 p -104.3 -22.67 13.32 Favored 'General case' 0 N--CA 1.433 -1.309 0 CA-C-O 121.157 0.503 . . . . 0.0 111.856 178.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 83.71 28.62 34.7 Favored Glycine 0 N--CA 1.44 -1.062 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.784 178.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -118.06 151.2 37.98 Favored 'General case' 0 C--O 1.248 1.0 0 CA-C-O 120.748 0.309 . . . . 0.0 111.489 -177.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . 0.421 HD11 ' HB2' ' A' 1517 ' ' GLN . 64.5 tp -107.04 110.3 22.39 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.047 -0.978 . . . . 0.0 109.257 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.541 ' CZ ' ' HA ' ' A' 1647 ' ' GLU . 72.7 m-85 -101.37 126.05 48.09 Favored 'General case' 0 C--N 1.297 -1.713 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -127.0 149.28 49.97 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.737 -174.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 91.7 mt -109.17 6.12 24.5 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-N 115.331 -0.85 . . . . 0.0 108.967 172.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.1 p -71.08 -26.01 62.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.073 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 34.5 m -71.45 -8.95 57.17 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.293 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 87.0 mt -110.64 8.6 22.79 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 18.4 t -91.11 155.44 18.64 Favored 'General case' 0 N--CA 1.433 -1.316 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.79 -174.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -174.64 147.0 8.84 Favored Glycine 0 N--CA 1.432 -1.58 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . 0.488 ' O ' ' HA ' ' A' 1556 ' ' ASN . 31.1 mtm180 -68.31 -31.24 70.53 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-N 118.148 0.974 . . . . 0.0 111.695 -175.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -85.25 -10.17 56.85 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-O 121.464 0.65 . . . . 0.0 110.446 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 60.42 -136.81 49.19 Favored Glycine 0 N--CA 1.431 -1.687 0 CA-C-N 114.561 -1.199 . . . . 0.0 113.102 177.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 86.7 t80 -134.04 133.08 40.8 Favored 'General case' 0 C--N 1.285 -2.198 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 29.4 m -105.42 110.25 22.53 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-O 121.265 0.555 . . . . 0.0 109.898 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -105.6 106.57 17.14 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.809 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -84.72 116.61 23.33 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -99.7 147.63 25.22 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-O 121.089 0.471 . . . . 0.0 110.383 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -83.62 49.69 1.64 Allowed 'General case' 0 C--N 1.303 -1.426 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.3 -174.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 23.5 tptm -135.19 10.39 3.53 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 107.01 -8.27 38.73 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.749 -0.738 . . . . 0.0 114.344 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 21.0 m-90 -134.17 141.25 47.01 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 121.692 0.758 . . . . 0.0 112.913 -177.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -111.64 147.87 18.01 Favored Glycine 0 N--CA 1.429 -1.791 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 174.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 47.0 t -113.89 123.88 69.99 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 CA-C-N 117.302 0.551 . . . . 0.0 110.172 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . 0.43 ' HB2' ' SG ' ' A' 1566 ' ' CYS . 49.5 m-85 -94.1 104.27 16.3 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 174.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.9 ptm -123.0 128.03 49.63 Favored 'General case' 0 C--N 1.293 -1.877 0 CA-C-O 120.934 0.397 . . . . 0.0 111.584 -174.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 37.6 t -102.13 132.81 47.79 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 2.4 mp -87.69 110.07 20.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 28.3 t 72.33 94.92 0.07 Allowed 'General case' 0 C--O 1.239 0.535 0 C-N-CA 124.487 1.115 . . . . 0.0 111.267 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 120.07 -166.37 13.57 Favored Glycine 0 N--CA 1.43 -1.712 0 C-N-CA 120.435 -0.888 . . . . 0.0 111.376 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . 0.423 ' HA ' ' HA2' ' A' 1564 ' ' GLY . 11.4 pt-20 -107.67 145.45 33.37 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 120.857 0.361 . . . . 0.0 110.27 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.488 ' HA ' ' O ' ' A' 1535 ' ' ARG . 46.0 t-20 -88.87 132.79 34.52 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 -177.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -73.32 -14.32 61.28 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.165 -178.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 15.2 m120 -92.54 -1.13 57.16 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-O 121.426 0.632 . . . . 0.0 109.747 178.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 73.4 m -119.64 165.01 18.78 Favored Pre-proline 0 C--N 1.303 -1.45 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -55.12 154.33 23.03 Favored 'Trans proline' 0 CA--C 1.551 1.335 0 C-N-CA 122.526 2.15 . . . . 0.0 112.051 176.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -56.31 123.62 14.28 Favored 'Trans proline' 0 C--O 1.249 1.035 0 C-N-CA 123.344 2.696 . . . . 0.0 112.605 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 95.13 -8.56 69.94 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.991 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 79.8 t -89.1 125.23 42.15 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.233 0 CA-C-O 120.965 0.412 . . . . 0.0 111.415 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' 1555 ' ' GLU . . . -82.99 -32.43 26.39 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.118 -178.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -148.25 134.16 19.09 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' A' 1549 ' ' TYR . 21.5 p -121.56 133.65 55.02 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-O 121.33 0.586 . . . . 0.0 110.729 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 79.4 t80 -95.31 124.11 39.18 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.968 -1.015 . . . . 0.0 109.902 -175.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 79.94 171.46 42.53 Favored Glycine 0 N--CA 1.431 -1.678 0 CA-C-N 115.656 -0.702 . . . . 0.0 112.703 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -83.44 -0.37 49.74 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-O 121.214 0.53 . . . . 0.0 110.485 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 26.0 m -84.15 -3.92 58.45 Favored 'General case' 0 CA--C 1.558 1.281 0 CA-C-O 122.135 0.969 . . . . 0.0 109.065 173.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 60.27 39.18 19.33 Favored 'General case' 0 C--N 1.353 0.742 0 CA-C-N 114.867 -1.061 . . . . 0.0 112.06 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 79.2 mt -71.86 114.89 11.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 32.0 p -63.25 114.34 3.74 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 121.218 0.532 . . . . 0.0 111.623 -178.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.542 HG23 ' HB3' ' A' 1606 ' ' TYR . 12.8 p -104.93 20.14 4.04 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 CA-C-O 122.472 1.129 . . . . 0.0 109.626 -178.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 156.41 143.99 3.81 Favored Glycine 0 N--CA 1.425 -2.082 0 CA-C-N 114.797 -1.092 . . . . 0.0 113.225 173.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -79.16 158.38 27.71 Favored 'General case' 0 C--N 1.315 -0.909 0 C-N-CA 123.593 0.757 . . . . 0.0 109.514 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -67.48 86.14 0.18 Allowed 'General case' 0 C--N 1.308 -1.217 0 C-N-CA 124.355 1.062 . . . . 0.0 111.827 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -93.59 151.29 19.78 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.81 11.2 7.78 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.36 0.6 . . . . 0.0 110.441 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -76.47 93.15 3.48 Favored 'General case' 0 C--O 1.245 0.821 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.589 -177.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.548 HD13 HG23 ' A' 1518 ' ' VAL . 0.4 OUTLIER -86.35 122.91 30.98 Favored 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.677 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . 0.527 ' NH2' ' HG2' ' A' 1589 ' ' GLN . 89.2 mtm180 -109.01 126.44 53.13 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 -179.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 56.3 t80 -116.51 102.18 9.26 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 6.2 m -140.8 144.24 27.32 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.788 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 53.0 m-20 53.44 37.03 24.63 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.469 1.107 . . . . 0.0 113.48 174.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 2.3 mp0 61.0 29.29 18.92 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.651 0.78 . . . . 0.0 111.699 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' 1612 ' ' PHE . 5.5 p -135.14 123.93 40.95 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.247 0 CA-C-O 121.324 0.583 . . . . 0.0 110.285 176.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.531 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 84.4 mt -84.01 126.93 33.52 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 106.456 -1.683 . . . . 0.0 106.456 175.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . 0.527 ' HG2' ' NH2' ' A' 1582 ' ' ARG . 26.2 tt0 -129.6 125.33 35.93 Favored 'General case' 0 C--N 1.281 -2.37 0 C-N-CA 119.231 -0.988 . . . . 0.0 111.802 -176.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 55.5 mt -113.44 152.92 29.46 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 114.962 -1.017 . . . . 0.0 108.566 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.1 p -140.39 128.26 24.31 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -105.07 105.33 15.32 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 172.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 26.4 pttm -108.4 175.34 5.51 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.014 -174.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 11.0 t70 61.54 45.17 8.48 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.775 1.23 . . . . 0.0 112.854 172.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -83.89 -139.56 4.06 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.518 177.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . 0.462 ' O ' ' HA ' ' A' 1605 ' ' SER . 35.7 m -67.18 147.84 98.91 Favored Pre-proline 0 C--N 1.307 -1.248 0 C-N-CA 123.157 0.583 . . . . 0.0 110.724 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -69.11 134.57 29.7 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.587 2.191 . . . . 0.0 110.762 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 84.1 m -74.43 126.89 88.4 Favored Pre-proline 0 C--N 1.297 -1.695 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.875 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -73.53 -7.84 20.83 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 122.628 2.219 . . . . 0.0 111.263 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 6.9 m -84.66 -32.95 23.35 Favored 'General case' 0 N--CA 1.429 -1.509 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.45 178.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 27.0 tptp -160.04 101.76 1.44 Allowed 'General case' 0 N--CA 1.439 -1.025 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.13 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 11.5 m -56.68 133.73 54.13 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 175.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 114.15 -28.1 8.59 Favored Glycine 0 C--N 1.299 -1.505 0 N-CA-C 110.478 -1.049 . . . . 0.0 110.478 -176.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 81.7 mt -92.62 150.35 20.77 Favored 'General case' 0 N--CA 1.434 -1.259 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 176.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . 0.462 ' HA ' ' O ' ' A' 1596 ' ' SER . 14.5 m -132.56 142.01 48.97 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -177.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.542 ' HB3' HG23 ' A' 1574 ' ' VAL . 76.3 m-85 -56.14 131.23 47.13 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.168 0.587 . . . . 0.0 112.378 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . 0.423 ' O ' ' HA ' ' A' 1635 ' ' THR . 56.0 mtpt -129.35 143.6 50.91 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 124.331 1.052 . . . . 0.0 110.53 -177.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 37.0 m -119.07 123.31 44.16 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 175.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 90.1 t -107.95 116.11 50.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 45.6 mt -106.39 113.55 43.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.344 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 179.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 21.6 t -103.22 111.34 23.69 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.531 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 73.8 m-85 -94.38 98.7 11.08 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 58.3 t -82.65 135.69 24.37 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.575 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . 0.48 ' HA ' ' O ' ' A' 1642 ' ' THR . 50.1 t -67.37 121.12 15.07 Favored 'General case' 0 C--N 1.305 -1.329 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.112 -176.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -134.07 90.35 26.45 Favored Pre-proline 0 C--N 1.306 -1.32 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -52.41 -33.42 56.63 Favored 'Trans proline' 0 N--CA 1.483 0.877 0 C-N-CA 123.864 3.043 . . . . 0.0 114.192 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -91.96 9.76 31.76 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 122.118 -0.364 . . . . 0.0 111.781 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . 66.19 175.13 0.23 Allowed 'General case' 0 C--O 1.245 0.856 0 C-N-CA 124.312 1.045 . . . . 0.0 111.628 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -107.74 137.87 14.26 Favored Glycine 0 N--CA 1.422 -2.27 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -59.96 -28.89 88.1 Favored 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 123.049 2.5 . . . . 0.0 113.632 -178.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 11.4 m -104.17 -38.06 7.05 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 49.7 t-20 59.11 67.56 0.9 Allowed 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.982 0.896 . . . . 0.0 109.396 177.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 -151.15 162.12 27.76 Favored Pre-proline 0 C--N 1.315 -0.932 0 N-CA-C 107.208 -1.405 . . . . 0.0 107.208 -178.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.543 ' HA ' ' O ' ' A' 1639 ' ' SER . 67.4 Cg_endo -83.4 122.82 3.27 Favored 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 121.667 1.578 . . . . 0.0 111.267 175.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 86.8 mtp -95.81 139.71 31.64 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.653 -0.655 . . . . 0.0 109.36 176.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.4 tt -82.52 114.9 21.25 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -175.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.7 mm -93.04 -52.84 9.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.692 -175.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 26.5 t -137.7 143.0 41.06 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.06 95.8 4.8 Favored 'General case' 0 N--CA 1.424 -1.751 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 -176.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -97.77 100.26 11.63 Favored 'General case' 0 C--N 1.309 -1.158 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 176.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -84.06 -13.24 53.63 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.162 -176.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -82.31 -42.36 18.88 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -175.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 36.4 p -102.18 -0.22 33.54 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 122.151 0.977 . . . . 0.0 109.805 176.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.48 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 37.8 m 63.67 63.84 0.83 Allowed 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 113.056 -1.884 . . . . 0.0 111.543 175.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' 1607 ' ' LYS . 39.3 m -138.09 118.6 13.86 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 121.213 0.53 . . . . 0.0 110.178 179.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 7.0 mp -102.1 134.91 44.58 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.611 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -106.74 116.63 32.25 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.223 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -113.2 141.68 46.67 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . 0.543 ' O ' ' HA ' ' A' 1624 ' ' PRO . 37.4 p -120.71 127.67 52.24 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-O 120.936 0.398 . . . . 0.0 111.024 -178.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 8.4 t-105 -119.07 147.61 43.94 Favored 'General case' 0 C--N 1.289 -2.036 0 N-CA-C 105.719 -1.956 . . . . 0.0 105.719 179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -118.65 113.32 21.02 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 118.243 0.474 . . . . 0.0 110.002 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . 0.48 ' O ' ' HA ' ' A' 1614 ' ' CYS . 11.9 t -140.45 147.07 47.95 Favored Pre-proline 0 C--N 1.313 -0.996 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.024 -175.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.41 -4.32 14.56 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 123.338 2.692 . . . . 0.0 112.058 176.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 71.4 mt -78.01 -7.63 57.12 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.335 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -93.04 14.53 17.51 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-O 121.064 0.459 . . . . 0.0 111.889 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 63.5 m -131.59 157.39 43.78 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 174.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . 0.541 ' HA ' ' CZ ' ' A' 1527 ' ' PHE . 42.4 mt-10 -76.5 76.26 3.22 Favored 'General case' 0 N--CA 1.439 -0.991 0 CA-C-O 121.72 0.771 . . . . 0.0 110.812 178.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 60.8 tp -70.01 128.61 36.93 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-N 114.052 -1.431 . . . . 0.0 109.886 178.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.619 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.364 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 25.9 ptt? . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . 0.403 ' HD3' ' HG3' ' A' 1512 ' ' GLU . 48.9 mmtm -80.98 71.86 7.96 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 122.837 0.455 . . . . 0.0 109.967 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . 0.524 ' HA ' ' NH2' ' A' 1580 ' ' ARG . 29.1 t -131.74 -11.22 3.47 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-O 120.966 0.412 . . . . 0.0 110.884 178.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -162.2 38.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 -176.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . 0.403 ' HG3' ' HD3' ' A' 1509 ' ' LYS . 29.2 mm-40 -99.06 -48.09 4.99 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.868 -177.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -159.92 64.22 0.35 Allowed 'General case' 0 CA--C 1.486 -1.491 0 N-CA-C 102.94 -2.985 . . . . 0.0 102.94 176.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -123.05 55.74 1.19 Allowed 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 114.377 -1.283 . . . . 0.0 111.774 -167.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 20.3 t70 -107.21 44.27 1.09 Allowed 'General case' 0 C--N 1.307 -1.276 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 67.8 m 64.01 49.64 2.71 Favored 'General case' 0 C--O 1.247 0.953 0 CA-C-N 114.086 -1.415 . . . . 0.0 111.597 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.491 ' HA ' ' O ' ' A' 1527 ' ' PHE . 3.6 pt20 -146.23 128.64 15.91 Favored 'General case' 0 N--CA 1.406 -2.671 0 CA-C-N 112.986 -1.916 . . . . 0.0 106.428 175.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 24.6 t -125.68 132.79 70.42 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.022 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 28.0 m -87.8 122.72 31.79 Favored 'General case' 0 N--CA 1.423 -1.802 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 46.2 t30 -95.66 105.73 22.63 Favored Pre-proline 0 C--N 1.307 -1.276 0 N-CA-C 108.839 -0.801 . . . . 0.0 108.839 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.99 -4.13 14.22 Favored 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 123.373 2.716 . . . . 0.0 113.274 -175.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.2 m -68.9 -49.63 56.52 Favored 'General case' 0 N--CA 1.431 -1.402 0 CA-C-O 121.225 0.536 . . . . 0.0 109.714 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 15.0 p -119.96 -10.92 9.38 Favored 'General case' 0 C--O 1.246 0.908 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -175.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 83.53 28.01 37.28 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.857 -179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . 0.442 ' ND1' ' HB2' ' A' 1647 ' ' GLU . 17.7 m80 -103.75 136.85 42.67 Favored 'General case' 0 C--N 1.311 -1.09 0 O-C-N 122.454 -0.439 . . . . 0.0 111.27 178.359 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 66.0 tp -100.05 105.52 17.18 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.174 179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' 1517 ' ' GLN . 99.1 m-85 -84.6 106.76 16.41 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.6 p30 -117.9 144.25 45.61 Favored 'General case' 0 C--N 1.304 -1.393 0 CA-C-O 121.501 0.667 . . . . 0.0 110.794 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 95.1 mt -120.94 21.86 11.24 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 107.3 -1.371 . . . . 0.0 107.3 174.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 15.0 m -68.85 -26.41 65.14 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.061 -1.427 . . . . 0.0 110.511 -175.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 5.3 p -72.9 -26.05 61.28 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.623 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 91.9 mt -93.83 -1.91 54.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.78 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 19.5 t -66.06 141.85 58.0 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.201 0.524 . . . . 0.0 110.902 -176.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -170.63 134.99 3.32 Favored Glycine 0 N--CA 1.432 -1.616 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . 0.451 ' O ' ' HA ' ' A' 1556 ' ' ASN . 55.9 mtm180 -84.37 -20.39 32.03 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -86.5 -34.17 20.11 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 173.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . 0.51 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 66.74 -131.04 31.34 Favored Glycine 0 N--CA 1.43 -1.706 0 CA-C-N 113.957 -1.474 . . . . 0.0 112.705 176.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -139.94 136.4 33.79 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 32.7 m -88.0 107.93 18.97 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -87.35 114.58 24.08 Favored 'General case' 0 C--N 1.305 -1.33 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -117.3 118.69 32.96 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.771 -176.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 29.8 p90 -132.17 170.12 15.45 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 118.895 -0.574 . . . . 0.0 110.933 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -54.42 -39.68 67.55 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -173.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -97.15 17.94 16.04 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.528 -177.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 169.8 85.27 0.06 OUTLIER Glycine 0 N--CA 1.437 -1.246 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 11.1 p90 -82.62 68.1 8.94 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.773 0.797 . . . . 0.0 113.007 -177.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . 147.58 90.88 0.1 OUTLIER Glycine 0 N--CA 1.431 -1.69 0 C-N-CA 119.284 -1.436 . . . . 0.0 114.369 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 22.0 t -121.03 116.45 49.83 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 N-CA-C 105.91 -1.885 . . . . 0.0 105.91 169.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 88.3 m-85 -91.29 108.38 19.84 Favored 'General case' 0 C--N 1.29 -2.019 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . 0.51 ' O ' ' HA3' ' A' 1537 ' ' GLY . 23.1 ptp -112.18 126.95 55.76 Favored 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.137 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 30.4 t -89.43 143.62 26.68 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 176.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 2.8 mp -103.3 105.92 19.19 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.11 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 41.9 t 71.92 81.76 0.14 Allowed 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.298 0.999 . . . . 0.0 111.19 177.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 129.82 -152.6 19.69 Favored Glycine 0 N--CA 1.434 -1.498 0 C-N-CA 120.096 -1.05 . . . . 0.0 112.256 177.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.44 157.63 17.22 Favored 'General case' 0 C--N 1.306 -1.286 0 C-N-CA 123.408 0.683 . . . . 0.0 111.187 -179.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' A' 1535 ' ' ARG . 15.8 m120 -85.24 129.4 34.81 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 175.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.55 -15.61 61.29 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.3 -177.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -101.94 15.79 27.95 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-O 121.589 0.709 . . . . 0.0 110.478 178.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . 0.406 ' HB2' ' HB2' ' A' 1556 ' ' ASN . 99.4 m -130.37 165.0 37.27 Favored Pre-proline 0 C--N 1.294 -1.819 0 CA-C-N 115.267 -0.878 . . . . 0.0 108.835 177.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 97.8 Cg_exo -49.91 131.73 30.51 Favored 'Trans proline' 0 C--O 1.249 1.042 0 C-N-CA 122.546 2.164 . . . . 0.0 111.327 173.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.1 99.73 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.224 0 C-N-CA 123.19 2.593 . . . . 0.0 111.419 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 141.03 -19.48 2.7 Favored Glycine 0 N--CA 1.43 -1.732 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.29 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 45.5 t -88.36 132.83 32.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -106.09 -7.61 35.23 Favored Glycine 0 CA--C 1.507 -0.457 0 C-N-CA 121.134 -0.555 . . . . 0.0 112.706 -177.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -160.24 129.7 5.12 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 177.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 92.1 m -118.95 133.31 55.91 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.057 0.456 . . . . 0.0 111.196 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 76.3 t80 -107.49 128.97 54.98 Favored 'General case' 0 C--N 1.294 -1.828 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 89.65 177.14 45.52 Favored Glycine 0 N--CA 1.427 -1.965 0 C-N-CA 120.705 -0.759 . . . . 0.0 113.605 173.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -77.27 -24.08 51.08 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 123.289 0.636 . . . . 0.0 110.94 -176.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 26.4 m -82.89 -12.0 57.75 Favored 'General case' 0 C--O 1.247 0.935 0 CA-C-O 122.009 0.909 . . . . 0.0 109.932 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 67.63 56.81 0.57 Allowed 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 113.715 -1.584 . . . . 0.0 111.093 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 71.9 mt -72.35 131.41 34.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.044 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 16.6 p -68.4 110.41 4.11 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -176.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.461 HG23 ' HB3' ' A' 1606 ' ' TYR . 13.2 p -106.03 31.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.023 0 CA-C-O 123.211 1.481 . . . . 0.0 107.926 178.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 144.83 143.55 4.02 Favored Glycine 0 N--CA 1.426 -1.98 0 CA-C-N 113.834 -1.53 . . . . 0.0 112.912 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 76.1 mmtt -82.28 158.6 23.41 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 176.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -57.45 131.39 49.99 Favored 'General case' 0 C--N 1.31 -1.133 0 O-C-N 124.301 1.001 . . . . 0.0 109.632 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 58.1 t30 -146.38 144.2 29.58 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 -176.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 55.0 mttp -126.76 15.05 7.51 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 121.445 0.641 . . . . 0.0 109.372 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . 0.524 ' NH2' ' HA ' ' A' 1510 ' ' SER . 11.0 tpp180 -80.23 91.15 5.56 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.515 HD21 ' HB3' ' A' 1588 ' ' LEU . 1.9 tt -88.72 126.33 35.27 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 106.827 -1.546 . . . . 0.0 106.827 -178.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . 0.402 ' NE ' ' HA ' ' A' 1582 ' ' ARG . 3.7 mmp_? -116.17 135.49 53.87 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 54.5 p90 -106.59 101.01 10.5 Favored 'General case' 0 C--N 1.311 -1.078 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 175.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . 0.413 ' O ' HG22 ' A' 1587 ' ' VAL . 17.7 m -127.55 128.94 70.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.049 -176.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 32.3 t70 55.76 43.75 27.32 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-O 122.412 1.101 . . . . 0.0 110.444 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 26.0 mp0 61.33 17.25 8.12 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 114.104 -1.407 . . . . 0.0 114.76 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' 1584 ' ' VAL . 15.6 m -121.29 150.86 24.37 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 174.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.515 ' HB3' HD21 ' A' 1581 ' ' LEU . 87.4 mt -97.93 129.3 44.85 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -122.77 132.83 54.4 Favored 'General case' 0 C--N 1.293 -1.868 0 C-N-CA 120.27 -0.572 . . . . 0.0 112.207 -176.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 66.5 mt -120.01 122.98 42.34 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 171.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . 0.409 HG23 HG22 ' A' 1609 ' ' VAL . 10.5 p -115.92 136.19 53.62 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -110.73 96.49 6.21 Favored 'General case' 0 C--N 1.289 -2.048 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 175.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 11.6 ptmm? -102.6 176.81 5.04 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.711 -177.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 33.2 m-20 69.48 38.45 1.78 Allowed 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.525 1.13 . . . . 0.0 112.715 177.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -89.31 -143.64 10.01 Favored Glycine 0 C--O 1.249 1.059 0 N-CA-C 111.739 -0.544 . . . . 0.0 111.739 -178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . 0.481 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 47.3 m -73.95 126.29 89.51 Favored Pre-proline 0 C--N 1.306 -1.317 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' 1596 ' ' SER . 19.9 Cg_exo -67.05 153.6 77.24 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 123.004 2.469 . . . . 0.0 114.108 -177.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 66.7 m -121.21 151.29 55.51 Favored Pre-proline 0 C--N 1.312 -1.04 0 CA-C-N 115.058 -0.974 . . . . 0.0 108.896 -178.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -71.05 3.9 3.1 Favored 'Trans proline' 0 N--CA 1.484 0.922 0 C-N-CA 123.313 2.675 . . . . 0.0 113.187 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 6.0 m -63.87 -19.97 65.47 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.746 1.218 . . . . 0.0 112.539 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 31.0 mmmt 73.1 -62.72 0.46 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.555 1.142 . . . . 0.0 112.047 -177.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 39.6 t -89.64 112.27 23.47 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 88.34 42.97 5.71 Favored Glycine 0 N--CA 1.424 -2.115 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.34 87.39 6.15 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-O 122.004 0.907 . . . . 0.0 112.957 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 30.5 t -177.41 123.78 0.13 Allowed 'General case' 0 N--CA 1.432 -1.335 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.266 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.461 ' HB3' HG23 ' A' 1574 ' ' VAL . 27.5 m-85 -66.76 120.18 13.08 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 165.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -140.42 147.03 39.08 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.284 0.564 . . . . 0.0 110.927 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 22.8 t -115.97 135.99 53.45 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . 0.409 HG22 HG23 ' A' 1591 ' ' VAL . 57.7 t -116.55 109.31 27.56 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.328 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 179.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 61.1 mt -97.89 112.23 29.48 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 N-CA-C 108.077 -1.082 . . . . 0.0 108.077 177.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 16.2 m -105.2 114.67 28.99 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.23 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.464 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 79.0 m-85 -91.43 99.98 12.83 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' 1641 ' ' HIS . 22.8 t -92.25 139.39 18.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 -179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . 0.597 ' HA ' ' O ' ' A' 1642 ' ' THR . 49.8 t -81.82 136.61 35.38 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.367 0.603 . . . . 0.0 112.016 -175.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -140.75 93.85 8.35 Favored Pre-proline 0 C--N 1.308 -1.212 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.658 175.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -60.89 -28.98 87.22 Favored 'Trans proline' 0 CA--C 1.535 0.544 0 C-N-CA 122.131 1.888 . . . . 0.0 110.118 171.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -100.12 42.05 1.13 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.019 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -55.33 135.76 49.75 Favored 'General case' 0 C--O 1.244 0.782 0 C-N-CA 124.107 0.963 . . . . 0.0 112.838 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -122.15 -138.49 5.38 Favored Glycine 0 N--CA 1.428 -1.881 0 N-CA-C 110.186 -1.166 . . . . 0.0 110.186 176.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -70.9 2.03 4.58 Favored 'Trans proline' 0 CA--C 1.539 0.768 0 C-N-CA 123.486 2.791 . . . . 0.0 112.739 -178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . 0.511 ' HB ' ' CD2' ' A' 1641 ' ' HIS . 16.6 p -85.34 9.16 16.2 Favored 'General case' 0 N--CA 1.431 -1.375 0 C-N-CA 124.047 0.939 . . . . 0.0 112.124 -178.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 9.1 p30 -84.36 30.15 0.55 Allowed 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 122.394 1.092 . . . . 0.0 110.094 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -136.13 139.56 30.46 Favored Pre-proline 0 C--N 1.297 -1.714 0 N-CA-C 106.242 -1.762 . . . . 0.0 106.242 -177.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' 1639 ' ' SER . 37.3 Cg_endo -67.47 121.73 8.87 Favored 'Trans proline' 0 C--O 1.249 1.075 0 C-N-CA 121.862 1.708 . . . . 0.0 111.401 -179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 73.2 mtm -129.16 147.62 51.02 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.268 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . 0.499 HD11 HD23 ' A' 1629 ' ' LEU . 1.5 tt -80.03 113.84 18.5 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.355 -174.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.7 mm -97.64 -43.82 12.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-O 120.833 0.349 . . . . 0.0 111.256 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 20.5 m -136.77 130.44 31.93 Favored 'General case' 0 C--N 1.303 -1.432 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.443 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.499 HD23 HD11 ' A' 1626 ' ' LEU . 0.9 OUTLIER -114.32 107.06 15.07 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 -179.706 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.4 t70 -105.94 104.49 14.21 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -75.53 -32.39 60.44 Favored 'General case' 0 C--N 1.309 -1.176 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.263 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.27 -40.99 97.1 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -173.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 32.0 p -110.23 11.63 23.52 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 120.958 0.409 . . . . 0.0 111.952 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 59.1 m 56.41 47.83 18.15 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.227 1.011 . . . . 0.0 112.061 175.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 36.6 m -120.05 123.07 42.51 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-O 121.317 0.58 . . . . 0.0 111.059 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.2 mp -105.51 115.65 30.61 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.247 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -94.19 115.24 27.48 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.403 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -111.94 136.52 51.15 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 177.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' 1624 ' ' PRO . 38.1 t -109.97 140.5 43.91 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . 0.401 ' O ' ' HA ' ' A' 1612 ' ' PHE . 2.2 t90 -130.91 126.8 37.07 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 105.0 -2.222 . . . . 0.0 105.0 177.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . 0.511 ' CD2' ' HB ' ' A' 1621 ' ' THR . 44.1 m-70 -106.1 108.43 19.94 Favored 'General case' 0 C--N 1.296 -1.743 0 C-N-CA 119.755 -0.778 . . . . 0.0 110.145 -178.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . 0.597 ' O ' ' HA ' ' A' 1614 ' ' CYS . 5.5 t -135.68 139.59 31.33 Favored Pre-proline 0 C--N 1.304 -1.413 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.575 -177.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.458 ' HA ' ' SG ' ' A' 1614 ' ' CYS . 66.7 Cg_endo -72.82 -5.85 17.94 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 122.859 2.373 . . . . 0.0 111.77 177.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 97.1 mt -72.41 -9.26 58.3 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 123.132 0.573 . . . . 0.0 111.344 178.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' 1614 ' ' CYS . . . -84.46 -12.05 55.04 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.133 0.492 . . . . 0.0 109.977 177.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 68.6 m -98.83 149.21 23.13 Favored 'General case' 0 CA--C 1.487 -1.455 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.865 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . 0.442 ' HB2' ' ND1' ' A' 1525 ' ' HIS . 11.4 pt-20 -88.93 75.19 8.08 Favored 'General case' 0 N--CA 1.421 -1.918 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 171.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 41.8 tp -75.25 137.49 41.26 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 113.555 -1.657 . . . . 0.0 112.538 -169.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.906 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 176.106 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . 0.414 ' HA ' ' OD1' ' A' 1511 ' ' ASN . 52.6 ttm . . . . . 0 CA--C 1.515 -0.366 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 28.4 tptp -170.03 -48.01 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.892 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 53.2 m -149.96 90.05 1.65 Allowed 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 175.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . 0.414 ' OD1' ' HA ' ' A' 1508 ' ' MET . 2.7 m-20 -101.79 31.77 3.7 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 122.414 1.102 . . . . 0.0 109.962 -175.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -149.84 35.31 0.68 Allowed 'General case' 0 N--CA 1.423 -1.778 0 N-CA-C 105.175 -2.157 . . . . 0.0 105.175 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 8.8 t60 -116.74 67.44 0.73 Allowed 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 114.413 -1.267 . . . . 0.0 107.705 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 20.7 m-20 63.98 45.19 4.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.731 -1.122 . . . . 0.0 108.239 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -82.77 46.83 1.12 Allowed 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 -174.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 31.9 m 54.77 43.71 29.63 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 124.982 1.313 . . . . 0.0 111.721 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.494 ' HB2' HD11 ' A' 1526 ' ' LEU . 10.2 pt20 -155.4 139.48 16.45 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -174.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 89.9 t -130.41 124.89 58.37 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 114.56 -1.2 . . . . 0.0 108.077 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 6.6 m -100.28 127.06 46.66 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 120.078 -0.649 . . . . 0.0 109.603 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -101.18 105.75 41.03 Favored Pre-proline 0 C--N 1.299 -1.609 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 175.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -72.8 -10.63 25.14 Favored 'Trans proline' 0 C--O 1.241 0.667 0 C-N-CA 122.728 2.286 . . . . 0.0 112.748 -175.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 6.8 m -70.34 -51.76 27.65 Favored 'General case' 0 N--CA 1.427 -1.599 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.726 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 23.8 p -95.79 -25.89 15.88 Favored 'General case' 0 C--O 1.251 1.143 0 CA-C-O 121.224 0.535 . . . . 0.0 111.872 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 90.07 16.71 55.5 Favored Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -177.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 34.2 t-80 -96.67 126.67 42.0 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -175.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . 0.494 HD11 ' HB2' ' A' 1517 ' ' GLN . 35.5 tp -93.4 109.72 21.28 Favored 'General case' 0 C--N 1.294 -1.83 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 177.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -80.66 105.93 12.27 Favored 'General case' 0 N--CA 1.427 -1.583 0 N-CA-C 107.124 -1.436 . . . . 0.0 107.124 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.92 136.29 53.05 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 107.103 -1.443 . . . . 0.0 107.103 176.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 80.1 mt -110.57 13.72 22.56 Favored 'General case' 0 C--N 1.267 -3.002 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 174.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 29.2 m -66.42 -32.06 73.2 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.147 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 38.5 t -59.92 -36.38 76.89 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.53 175.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 93.2 mt -101.47 0.07 36.1 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.051 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 24.1 t -78.65 147.71 33.48 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-O 121.34 0.591 . . . . 0.0 110.414 -174.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -174.89 142.91 6.53 Favored Glycine 1 N--CA 1.395 -4.085 0 N-CA-C 108.936 -1.666 . . . . 0.0 108.936 179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . 0.562 ' O ' ' HA ' ' A' 1556 ' ' ASN . 91.8 mtt180 -78.69 -26.57 44.96 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 121.499 0.666 . . . . 0.0 109.971 -177.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -81.16 -25.73 36.61 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 173.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . 0.51 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 69.76 -128.86 21.13 Favored Glycine 0 N--CA 1.424 -2.148 0 CA-C-N 114.011 -1.45 . . . . 0.0 112.6 175.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 57.9 t80 -138.07 138.62 38.95 Favored 'General case' 0 C--N 1.284 -2.275 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 86.7 m -104.12 107.27 18.09 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.455 0.645 . . . . 0.0 109.415 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -96.89 125.85 41.62 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -105.69 129.49 53.9 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 109.878 -0.416 . . . . 0.0 109.878 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -119.54 170.31 9.28 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.515 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -51.28 -54.8 22.52 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.762 0.825 . . . . 0.0 112.687 -175.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -117.23 32.28 6.25 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 122.034 0.921 . . . . 0.0 110.006 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -161.87 64.97 0.26 Allowed Glycine 0 N--CA 1.427 -1.966 0 N-CA-C 107.935 -2.066 . . . . 0.0 107.935 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 31.7 p90 -76.93 54.79 1.04 Allowed 'General case' 0 C--N 1.311 -1.083 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 -174.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . 151.58 89.93 0.08 OUTLIER Glycine 0 N--CA 1.41 -3.072 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.333 176.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 68.9 t -103.03 108.31 24.05 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.237 0 N-CA-C 104.639 -2.356 . . . . 0.0 104.639 170.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -89.26 103.69 16.3 Favored 'General case' 0 C--N 1.284 -2.266 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 -176.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . 0.51 ' O ' ' HA3' ' A' 1537 ' ' GLY . 23.9 ptp -114.89 131.36 56.89 Favored 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -177.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . 0.402 ' HB2' ' HB2' ' A' 1556 ' ' ASN . 23.2 t -88.96 153.02 21.36 Favored 'General case' 0 N--CA 1.421 -1.902 0 N-CA-C 106.423 -1.695 . . . . 0.0 106.423 175.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 46.7 mm -112.31 90.71 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.282 -2.349 0 N-CA-C 107.204 -1.406 . . . . 0.0 107.204 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 53.8 t 68.41 76.79 0.25 Allowed 'General case' 0 C--O 1.244 0.782 0 O-C-N 124.523 1.139 . . . . 0.0 109.824 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 154.15 -167.15 32.26 Favored Glycine 0 N--CA 1.429 -1.801 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.744 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.46 151.87 20.61 Favored 'General case' 0 C--N 1.311 -1.108 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 176.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.562 ' HA ' ' O ' ' A' 1535 ' ' ARG . 19.2 t-20 -95.33 120.16 35.08 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.413 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -74.14 -6.27 46.7 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -94.54 4.36 53.95 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 76.2 m -135.84 172.42 7.15 Favored Pre-proline 0 N--CA 1.427 -1.624 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -60.25 137.34 74.33 Favored 'Trans proline' 0 C--O 1.25 1.104 0 C-N-CA 121.924 1.749 . . . . 0.0 111.381 173.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.17 103.21 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 123.13 2.554 . . . . 0.0 111.507 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 147.58 -29.55 1.45 Allowed Glycine 0 N--CA 1.434 -1.474 0 N-CA-C 108.899 -1.68 . . . . 0.0 108.899 -176.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 59.6 t -88.18 138.85 18.34 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.19 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 177.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -105.23 -24.13 7.32 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.685 -176.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -150.46 135.31 17.54 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.87 0.335 . . . . 0.0 110.92 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 80.8 m -126.43 133.81 51.15 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 177.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 79.1 t80 -101.56 114.67 28.91 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 94.09 161.36 35.1 Favored Glycine 0 N--CA 1.423 -2.179 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.953 174.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -67.44 -19.22 65.34 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.43 0.633 . . . . 0.0 109.836 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 20.4 m -69.0 -13.5 62.49 Favored 'General case' 0 CA--C 1.561 1.374 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.637 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 64.2 mtt85 64.47 43.76 4.4 Favored 'General case' 0 C--N 1.355 0.805 0 C-N-CA 124.828 1.251 . . . . 0.0 112.437 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 70.8 mt -74.36 114.57 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 24.7 p -63.12 117.12 6.07 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.007 0.432 . . . . 0.0 111.772 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.559 HG23 ' HB3' ' A' 1606 ' ' TYR . 15.0 p -112.76 18.39 7.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.412 0 CA-C-O 122.447 1.118 . . . . 0.0 108.642 178.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 168.42 141.49 3.21 Favored Glycine 0 N--CA 1.43 -1.755 0 C-N-CA 120.035 -1.079 . . . . 0.0 113.416 176.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.414 ' HB2' ' HB3' ' A' 1594 ' ' ASP . 15.9 tptm -91.2 150.7 21.25 Favored 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 177.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -55.97 115.49 2.43 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 124.263 1.025 . . . . 0.0 113.026 -175.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -128.11 142.43 51.2 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -178.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 63.4 mttp -126.09 7.53 7.25 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-O 121.645 0.736 . . . . 0.0 110.524 177.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -86.39 91.37 8.49 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-O 121.835 0.826 . . . . 0.0 109.861 -177.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.514 HD21 ' HB3' ' A' 1588 ' ' LEU . 1.7 tt -75.47 129.0 36.56 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 107.578 -1.268 . . . . 0.0 107.578 -178.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -118.06 134.17 55.23 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-O 120.818 0.342 . . . . 0.0 111.034 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 40.1 t80 -101.55 99.84 10.19 Favored 'General case' 0 C--N 1.298 -1.659 0 N-CA-C 105.803 -1.925 . . . . 0.0 105.803 175.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 16.7 m -134.86 121.83 35.74 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.254 -173.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 26.7 t70 58.69 48.17 11.96 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 122.813 1.292 . . . . 0.0 110.428 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 28.1 tp60 63.06 10.74 4.68 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 113.287 -1.779 . . . . 0.0 113.877 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 7.3 p -123.5 139.9 48.71 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 O-C-N 121.867 -0.521 . . . . 0.0 109.924 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.514 ' HB3' HD21 ' A' 1581 ' ' LEU . 84.6 mt -84.22 121.41 27.44 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 107.07 -1.455 . . . . 0.0 107.07 175.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -123.05 130.94 53.43 Favored 'General case' 0 C--N 1.28 -2.419 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.1 -172.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 69.5 mt -115.83 122.8 46.46 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 172.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 59.3 t -118.87 113.63 42.24 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 CA-C-O 121.402 0.62 . . . . 0.0 109.75 -178.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -95.27 98.1 10.35 Favored 'General case' 0 C--N 1.284 -2.272 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -85.72 170.02 12.87 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 177.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . 0.414 ' HB3' ' HB2' ' A' 1576 ' ' LYS . 27.1 t70 65.6 87.75 0.11 Allowed 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.822 1.249 . . . . 0.0 112.469 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -128.44 -153.64 8.11 Favored Glycine 0 N--CA 1.424 -2.138 0 N-CA-C 109.554 -1.419 . . . . 0.0 109.554 177.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 42.3 m -70.01 141.33 89.22 Favored Pre-proline 0 C--N 1.296 -1.733 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -67.8 138.55 45.14 Favored 'Trans proline' 0 C--O 1.243 0.733 0 C-N-CA 122.14 1.893 . . . . 0.0 110.372 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 56.0 m -72.62 128.65 88.13 Favored Pre-proline 0 C--N 1.302 -1.483 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.062 -179.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -71.15 -13.65 31.28 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.545 2.163 . . . . 0.0 110.776 176.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 7.9 m -82.65 -39.52 21.99 Favored 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.294 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -138.67 107.99 6.12 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.685 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 15.1 m -69.03 100.92 1.3 Allowed 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 142.86 -31.34 2.0 Allowed Glycine 0 N--CA 1.441 -0.998 0 N-CA-C 110.129 -1.188 . . . . 0.0 110.129 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 87.3 mt -89.93 150.27 22.24 Favored 'General case' 0 N--CA 1.436 -1.158 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 17.0 m -133.94 150.53 51.3 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.559 ' HB3' HG23 ' A' 1574 ' ' VAL . 79.6 m-85 -64.39 122.55 16.99 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.844 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -119.55 151.02 39.32 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.143 -177.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 13.3 p -129.35 136.1 49.57 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.107 0.48 . . . . 0.0 110.985 176.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 63.3 t -122.74 113.65 39.1 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.732 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 56.0 mt -99.8 114.11 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.722 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 23.1 t -102.91 115.44 30.61 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.147 -176.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.498 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 91.3 m-85 -98.35 99.82 11.04 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -178.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.4 t -95.17 140.08 17.53 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.748 -173.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 5.8 t -60.73 112.79 2.16 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.754 -1.112 . . . . 0.0 111.61 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -138.22 88.47 15.08 Favored Pre-proline 0 C--N 1.302 -1.491 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 172.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . 0.554 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 50.1 Cg_exo -58.93 -27.03 83.46 Favored 'Trans proline' 0 N--CA 1.488 1.161 0 C-N-CA 123.695 2.93 . . . . 0.0 111.981 -178.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -75.5 -11.16 59.97 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.456 -1.247 . . . . 0.0 111.207 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . 68.18 -71.56 0.11 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.943 1.297 . . . . 0.0 109.399 -174.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 81.52 177.14 51.56 Favored Glycine 0 N--CA 1.429 -1.811 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.619 176.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -79.02 -15.32 13.11 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.381 2.054 . . . . 0.0 111.197 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.73 28.62 2.97 Favored 'General case' 0 N--CA 1.427 -1.578 0 CA-C-O 121.687 0.756 . . . . 0.0 110.075 -176.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . 0.423 ' HA ' ' O ' ' A' 1641 ' ' HIS . 30.6 p-10 -88.04 46.3 1.37 Allowed 'General case' 0 C--O 1.243 0.741 0 CA-C-O 122.685 1.231 . . . . 0.0 109.898 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -152.36 161.44 29.31 Favored Pre-proline 0 C--N 1.303 -1.435 0 N-CA-C 104.611 -2.366 . . . . 0.0 104.611 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -68.23 121.74 8.74 Favored 'Trans proline' 0 C--O 1.257 1.436 0 C-N-CA 121.223 1.282 . . . . 0.0 112.373 -178.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 23.0 ttt -112.81 133.21 54.92 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . 0.454 ' HG ' ' CE1' ' A' 1638 ' ' PHE . 1.1 tt -78.97 111.41 15.14 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 46.9 mm -90.22 -44.41 14.86 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 CA-C-O 121.055 0.455 . . . . 0.0 111.425 -174.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.8 m -146.04 131.36 18.55 Favored 'General case' 0 C--N 1.296 -1.729 0 C-N-CA 120.17 -0.612 . . . . 0.0 111.065 -176.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.65 101.09 11.9 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 105.207 -2.146 . . . . 0.0 105.207 175.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -99.16 103.23 15.11 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 120.121 -0.632 . . . . 0.0 110.219 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -84.49 -19.07 33.89 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-O 121.002 0.429 . . . . 0.0 110.341 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -62.91 -50.44 70.85 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.398 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 21.9 p -113.29 8.73 18.16 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-O 121.65 0.738 . . . . 0.0 111.243 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.411 ' HB3' ' CD1' ' A' 1606 ' ' TYR . 65.8 m 59.77 63.97 1.39 Allowed 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 113.983 -1.462 . . . . 0.0 111.625 177.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 27.4 m -133.36 126.47 31.39 Favored 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.657 0.742 . . . . 0.0 111.628 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.47 ' HB3' ' CE2' ' A' 1638 ' ' PHE . 4.2 mm? -94.71 118.05 31.11 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.663 177.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -102.69 113.78 27.47 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.349 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . 0.47 ' CE2' ' HB3' ' A' 1636 ' ' LEU . 88.5 m-85 -117.73 141.14 48.74 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 178.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 36.0 t -122.89 136.65 54.94 Favored 'General case' 0 C--N 1.289 -2.031 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -119.89 126.94 52.16 Favored 'General case' 0 N--CA 1.418 -2.042 0 N-CA-C 104.932 -2.248 . . . . 0.0 104.932 177.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . 0.423 ' O ' ' HA ' ' A' 1622 ' ' ASN . 70.5 m80 -104.31 108.74 20.28 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 -178.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 7.3 t -140.53 143.15 31.62 Favored Pre-proline 0 C--N 1.294 -1.808 0 CA-C-O 121.319 0.58 . . . . 0.0 110.134 -176.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.554 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 65.2 Cg_endo -72.49 -14.06 27.7 Favored 'Trans proline' 0 CA--C 1.531 0.361 0 C-N-CA 123.225 2.617 . . . . 0.0 111.261 176.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 54.0 tp -74.52 -22.74 58.89 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.108 -179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -95.98 27.66 3.5 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.814 0.816 . . . . 0.0 109.609 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 19.0 t -132.05 146.7 52.23 Favored 'General case' 0 N--CA 1.417 -2.101 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 -177.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -82.18 74.91 9.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 122.387 1.089 . . . . 0.0 111.119 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 93.8 mt -97.53 104.34 16.36 Favored 'General case' 0 N--CA 1.426 -1.643 0 CA-C-N 114.251 -1.34 . . . . 0.0 107.985 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.572 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.498 -178.577 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 C--O 1.24 0.565 0 CA-C-O 121.179 0.514 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 88.4 tttt -125.05 120.27 31.0 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 9.8 t -87.52 69.36 9.78 Favored 'General case' 0 N--CA 1.424 -1.765 0 CA-C-O 122.351 1.072 . . . . 0.0 110.685 -176.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -105.63 43.88 1.09 Allowed 'General case' 0 C--N 1.31 -1.151 0 N-CA-C 106.179 -1.786 . . . . 0.0 106.179 173.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -80.06 69.32 6.43 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 113.526 -1.67 . . . . 0.0 112.315 -171.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 69.7 t60 -158.5 144.21 16.76 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 34.2 t70 63.39 64.77 0.8 Allowed 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 122.322 1.058 . . . . 0.0 110.513 -177.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . 0.417 ' HB3' ' HG2' ' A' 1517 ' ' GLN . 25.1 m-20 -128.42 -67.8 0.79 Allowed 'General case' 0 C--N 1.295 -1.799 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 177.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 58.8 m 50.69 57.16 6.93 Favored 'General case' 0 CA--C 1.507 -0.703 0 O-C-N 124.547 1.154 . . . . 0.0 110.126 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.501 ' HA ' ' O ' ' A' 1527 ' ' PHE . 23.1 pt20 -141.9 142.4 33.07 Favored 'General case' 0 N--CA 1.426 -1.637 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.278 -175.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 9.8 p -150.47 140.63 16.08 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.426 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 32.5 m -99.88 118.98 37.47 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-O 121.061 0.458 . . . . 0.0 109.926 178.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -107.84 107.86 60.78 Favored Pre-proline 0 C--N 1.306 -1.296 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.423 176.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.65 -26.16 79.87 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.366 2.711 . . . . 0.0 113.696 -177.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 23.2 t -68.05 -27.8 66.83 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 120.824 0.345 . . . . 0.0 110.704 -178.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 1.8 p -100.74 -33.45 10.25 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-O 121.341 0.591 . . . . 0.0 110.96 176.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 85.44 14.55 68.18 Favored Glycine 0 CA--C 1.502 -0.749 0 CA-C-N 115.241 -0.891 . . . . 0.0 111.57 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -118.04 136.68 53.4 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 -176.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.4 tt -87.21 105.3 17.12 Favored 'General case' 0 N--CA 1.417 -2.087 0 N-CA-C 104.443 -2.428 . . . . 0.0 104.443 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.501 ' O ' ' HA ' ' A' 1517 ' ' GLN . 97.0 m-85 -82.22 118.28 22.98 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -177.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -137.22 144.64 42.91 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.1 mt -123.42 23.04 9.11 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.427 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' 1515 ' ' ASP . 8.6 t -74.46 -20.66 59.93 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.277 -174.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 50.3 m -79.23 -7.65 58.42 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 121.573 -0.705 . . . . 0.0 110.829 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 82.7 mt -105.59 8.95 33.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.765 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . 0.589 ' HA ' ' O ' ' A' 1552 ' ' ILE . 46.7 m -65.72 103.54 0.9 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.516 -178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -110.35 119.65 5.39 Favored Glycine 0 N--CA 1.44 -1.096 0 N-CA-C 110.096 -1.202 . . . . 0.0 110.096 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 20.0 mmt180 -75.44 -29.35 59.65 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 117.433 0.617 . . . . 0.0 111.347 -175.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . 0.469 ' HA ' ' HG2' ' A' 1557 ' ' GLU . . . -86.81 -12.11 48.94 Favored 'General case' 0 CA--C 1.501 -0.914 0 CA-C-O 121.802 0.81 . . . . 0.0 109.06 176.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 68.93 -164.45 49.63 Favored Glycine 0 N--CA 1.421 -2.35 0 CA-C-N 113.9 -1.5 . . . . 0.0 112.761 177.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -124.59 138.48 54.32 Favored 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 23.2 m -97.96 107.83 20.4 Favored 'General case' 0 C--N 1.296 -1.76 0 C-N-CA 120.166 -0.613 . . . . 0.0 109.467 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -84.38 115.36 22.48 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -66.29 135.17 54.04 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-O 121.03 0.443 . . . . 0.0 111.176 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 75.2 t80 -119.87 102.35 8.51 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . 60.48 27.41 17.04 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.049 0.94 . . . . 0.0 110.201 -176.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 34.3 mmtp 68.06 -46.46 0.52 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.309 1.844 . . . . 0.0 113.92 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -65.41 -43.34 95.07 Favored Glycine 0 C--O 1.243 0.677 0 O-C-N 123.017 0.198 . . . . 0.0 112.857 -178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 22.4 m-90 -97.37 171.31 8.49 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-O 120.993 0.425 . . . . 0.0 109.919 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -155.96 145.8 12.94 Favored Glycine 0 N--CA 1.42 -2.414 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 48.6 t -104.94 117.64 50.95 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 N-CA-C 107.3 -1.37 . . . . 0.0 107.3 176.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -89.03 103.79 16.38 Favored 'General case' 0 C--N 1.289 -2.044 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -177.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 18.1 ptm -119.59 116.75 26.68 Favored 'General case' 0 C--N 1.295 -1.771 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.426 -173.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 47.8 t -89.98 140.03 30.03 Favored 'General case' 0 N--CA 1.433 -1.275 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 176.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . 0.589 ' O ' ' HA ' ' A' 1533 ' ' SER . 67.4 mt -103.94 115.58 46.15 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.538 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 11.8 t 64.86 45.62 3.2 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 124.341 1.026 . . . . 0.0 111.569 176.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 173.1 -179.05 44.77 Favored Glycine 0 N--CA 1.436 -1.344 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -88.46 149.5 23.64 Favored 'General case' 0 CA--C 1.503 -0.841 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -90.3 128.79 36.52 Favored 'General case' 0 C--N 1.292 -1.891 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . 0.469 ' HG2' ' HA ' ' A' 1536 ' ' ALA . 9.2 pt-20 -71.59 -12.62 61.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.004 0.43 . . . . 0.0 111.705 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . 0.422 ' N ' HD22 ' A' 1558 ' ' ASN . 0.8 OUTLIER -87.64 4.6 43.27 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 175.573 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 74.1 m -131.85 162.96 53.27 Favored Pre-proline 0 N--CA 1.434 -1.247 0 CA-C-N 114.693 -1.14 . . . . 0.0 108.739 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -61.13 142.68 97.63 Favored 'Trans proline' 0 C--O 1.248 0.986 0 C-N-CA 122.456 2.104 . . . . 0.0 110.35 173.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -55.83 100.06 0.08 OUTLIER 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 123.733 2.955 . . . . 0.0 113.011 -176.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 146.73 -38.21 1.15 Allowed Glycine 0 N--CA 1.428 -1.87 0 N-CA-C 109.868 -1.293 . . . . 0.0 109.868 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 38.5 t -82.6 132.85 30.42 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -99.67 -30.98 6.23 Favored Glycine 0 N--CA 1.437 -1.252 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.804 -178.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -135.73 132.24 36.61 Favored 'General case' 0 N--CA 1.436 -1.166 0 O-C-N 122.45 -0.441 . . . . 0.0 110.938 -178.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 73.5 m -127.0 134.46 50.34 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.917 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 32.4 t80 -91.45 127.37 36.87 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 78.35 -172.32 55.21 Favored Glycine 0 N--CA 1.433 -1.501 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.806 175.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -90.6 -18.19 25.61 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 4.1 m -72.52 -1.75 17.1 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-O 121.752 0.787 . . . . 0.0 111.845 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 59.71 48.46 9.28 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.781 1.232 . . . . 0.0 111.019 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 67.1 mt -78.87 114.9 20.23 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.225 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 178.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 22.3 p -63.39 116.59 5.67 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-O 121.228 0.537 . . . . 0.0 111.835 -175.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.462 HG23 ' HB3' ' A' 1606 ' ' TYR . 12.7 p -112.84 11.77 8.32 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.364 0 CA-C-O 122.929 1.347 . . . . 0.0 108.362 177.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . 0.514 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 166.3 129.97 1.11 Allowed Glycine 0 N--CA 1.418 -2.517 0 C-N-CA 119.669 -1.253 . . . . 0.0 113.846 177.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.486 ' HB2' ' HB3' ' A' 1594 ' ' ASP . 23.5 tptm -77.41 151.68 34.66 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 174.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -65.23 113.14 3.8 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 122.355 0.262 . . . . 0.0 110.654 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 26.3 m-80 -119.33 160.1 22.9 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 122.717 0.407 . . . . 0.0 110.068 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 24.2 pttm -128.97 8.83 5.71 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.177 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -77.37 91.43 3.85 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.978 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' 1588 ' ' LEU . 55.8 tp -87.12 126.85 35.04 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.824 -178.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -112.74 134.18 54.39 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.458 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . 0.44 ' CZ ' ' HA ' ' A' 1586 ' ' GLN . 86.6 t80 -108.33 103.63 12.84 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 171.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 2.7 p -142.11 127.74 17.89 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.301 -173.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 63.73 43.26 5.68 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 122.745 1.26 . . . . 0.0 110.442 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . 0.44 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 54.8 mt-30 62.63 15.97 8.45 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 114.067 -1.424 . . . . 0.0 113.71 177.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 34.5 m -132.3 157.3 43.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.517 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 81.4 mt -95.71 122.51 38.55 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -113.65 124.2 51.75 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.055 -175.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 53.7 mt -114.89 123.14 48.41 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 172.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 47.3 t -114.39 112.12 38.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . 0.514 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 27.4 m-85 -89.39 98.99 12.08 Favored 'General case' 0 N--CA 1.42 -1.969 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 65.9 mttm -88.74 174.81 7.79 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 114.178 -1.374 . . . . 0.0 109.39 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . 0.486 ' HB3' ' HB2' ' A' 1576 ' ' LYS . 15.4 t70 65.33 93.37 0.07 Allowed 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.389 1.075 . . . . 0.0 110.649 -175.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -141.32 -173.84 13.94 Favored Glycine 0 N--CA 1.429 -1.8 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -178.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 49.1 m -67.58 131.72 92.92 Favored Pre-proline 0 C--N 1.305 -1.344 0 C-N-CA 122.784 0.434 . . . . 0.0 110.414 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.06 130.06 32.87 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.712 2.275 . . . . 0.0 110.754 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 68.8 m -76.53 119.14 76.07 Favored Pre-proline 0 C--N 1.302 -1.482 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.279 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 16.2 Cg_exo -70.92 -26.03 22.57 Favored 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 121.809 1.672 . . . . 0.0 109.183 174.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 1.4 m -64.42 -51.49 62.93 Favored 'General case' 0 N--CA 1.435 -1.217 0 CA-C-N 114.473 -1.24 . . . . 0.0 109.425 177.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' 1632 ' ' GLN . 30.8 mmtp -124.32 99.14 6.07 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.991 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 16.5 m -63.14 124.41 21.09 Favored 'General case' 0 C--N 1.305 -1.368 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.905 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 112.94 -23.76 13.95 Favored Glycine 0 N--CA 1.436 -1.313 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 80.8 mt -103.68 157.43 17.07 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 120.758 0.314 . . . . 0.0 110.173 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 50.1 m -135.78 140.45 44.3 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.489 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 95.4 m-85 -55.54 119.4 5.6 Favored 'General case' 0 CA--C 1.517 -0.323 0 O-C-N 124.267 0.98 . . . . 0.0 111.544 -176.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -128.27 151.73 48.95 Favored 'General case' 0 C--O 1.248 1.005 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.072 -175.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 31.3 t -117.8 131.32 56.59 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.154 -177.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 87.6 t -118.97 111.98 35.82 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.926 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 53.4 mt -102.96 130.7 52.66 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 15.9 m -122.06 107.68 12.49 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 121.146 0.498 . . . . 0.0 110.525 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.517 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 80.3 m-85 -85.7 117.13 24.39 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 38.6 t -104.07 139.78 24.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.435 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 11.8 t -64.42 126.94 29.42 Favored 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 123.726 0.81 . . . . 0.0 112.27 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -144.09 100.11 4.97 Favored Pre-proline 0 N--CA 1.433 -1.276 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -66.79 -31.21 39.77 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.533 2.155 . . . . 0.0 110.676 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -88.48 41.19 1.0 Allowed 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.346 -178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . 0.415 ' HB1' ' OD1' ' A' 1622 ' ' ASN . . . -72.46 -173.3 1.1 Allowed 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 124.253 1.021 . . . . 0.0 112.699 -175.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 136.51 -104.43 0.48 Allowed Glycine 0 N--CA 1.435 -1.372 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -77.61 13.07 1.72 Allowed 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.067 2.511 . . . . 0.0 112.725 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 4.2 m -112.52 2.43 16.29 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 121.804 0.811 . . . . 0.0 109.248 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . 0.415 ' OD1' ' HB1' ' A' 1618 ' ' ALA . 1.7 m-20 -89.22 75.91 7.74 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -178.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -150.02 152.0 33.14 Favored Pre-proline 0 C--N 1.298 -1.644 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -177.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -75.8 122.31 6.76 Favored 'Trans proline' 0 N--CA 1.45 -1.072 0 C-N-CA 121.88 1.72 . . . . 0.0 110.941 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 20.2 ptp -122.82 130.19 52.59 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.725 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 2.1 tt -83.94 113.89 21.3 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 106.654 -1.61 . . . . 0.0 106.654 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.3 mm -99.97 -36.83 5.42 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-O 120.904 0.383 . . . . 0.0 111.853 -174.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 19.5 m -144.29 135.05 25.0 Favored 'General case' 0 C--N 1.308 -1.214 0 O-C-N 121.986 -0.446 . . . . 0.0 110.539 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.426 HD23 ' HG ' ' A' 1636 ' ' LEU . 3.0 tm? -118.53 102.89 9.23 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 -179.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.28 90.58 3.36 Favored 'General case' 0 C--N 1.314 -0.947 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -75.43 -22.12 57.61 Favored 'General case' 0 C--N 1.302 -1.474 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.979 -176.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . 0.498 ' O ' ' HG3' ' A' 1601 ' ' LYS . 78.3 mt-30 -65.19 -35.55 81.41 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.58 -0.736 . . . . 0.0 112.014 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 36.6 p -105.71 11.93 31.57 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-O 121.39 0.614 . . . . 0.0 110.251 174.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.489 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 77.3 m 55.58 39.41 30.98 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 114.739 -1.119 . . . . 0.0 112.16 178.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 39.8 m -119.43 125.25 48.51 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-O 121.073 0.463 . . . . 0.0 111.313 -177.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.426 ' HG ' HD23 ' A' 1629 ' ' LEU . 6.0 mp -105.48 124.58 49.8 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -99.1 110.07 22.7 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-O 120.929 0.395 . . . . 0.0 110.869 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -108.97 144.38 37.01 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 22.7 t -127.69 156.35 42.52 Favored 'General case' 0 N--CA 1.405 -2.717 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -143.06 143.35 31.84 Favored 'General case' 0 C--N 1.289 -2.049 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -107.99 111.65 23.83 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.2 t -138.28 143.52 39.28 Favored Pre-proline 0 C--N 1.308 -1.197 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -176.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.461 ' HA ' ' SG ' ' A' 1646 ' ' CYS . 67.5 Cg_endo -75.3 -4.85 15.92 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.007 2.471 . . . . 0.0 112.724 178.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 95.6 mt -80.98 -16.21 54.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.336 0.589 . . . . 0.0 110.689 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -94.24 23.04 5.36 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.09 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . 0.461 ' SG ' ' HA ' ' A' 1643 ' ' PRO . 77.5 m -101.99 150.95 22.69 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.829 -176.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -81.63 74.96 8.59 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 176.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 33.0 tp -139.43 128.56 23.82 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -176.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.298 0 CA-C-O 118.29 -0.862 . . . . 0.0 108.779 178.744 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 23.1 mmt . . . . . 0 N--CA 1.468 0.454 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.91 153.2 33.67 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 122.266 -0.271 . . . . 0.0 110.291 178.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 17.7 p -138.28 36.2 2.3 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-O 121.928 0.87 . . . . 0.0 109.694 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 19.5 m120 -79.51 -48.22 14.26 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.381 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -85.62 134.28 34.0 Favored 'General case' 0 N--CA 1.427 -1.618 0 N-CA-C 106.198 -1.779 . . . . 0.0 106.198 176.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 87.2 m-70 -95.74 115.08 26.91 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -149.5 25.97 0.86 Allowed 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 174.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.82 -66.2 0.91 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.229 -1.351 . . . . 0.0 111.399 -176.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . 0.537 ' SG ' ' HB2' ' A' 1579 ' ' LYS . 87.0 m 54.67 58.12 5.13 Favored 'General case' 0 C--O 1.25 1.09 0 CA-C-O 122.19 0.995 . . . . 0.0 111.476 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' A' 1527 ' ' PHE . 4.4 pt20 -147.7 135.91 21.42 Favored 'General case' 0 N--CA 1.417 -2.115 0 CA-C-N 113.916 -1.493 . . . . 0.0 108.634 179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 40.3 t -125.08 137.27 58.16 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 9.0 m -107.22 133.58 51.59 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 44.1 p30 -97.11 126.75 41.07 Favored Pre-proline 0 C--O 1.213 -0.82 0 C-N-CA 119.557 -0.857 . . . . 0.0 109.892 174.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.56 -12.52 24.76 Favored 'Trans proline' 0 CA--C 1.535 0.573 0 C-N-CA 122.158 1.906 . . . . 0.0 113.194 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 20.2 t -71.35 -65.81 0.7 Allowed 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.34 -5.22 40.5 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 72.46 31.58 63.08 Favored Glycine 0 CA--C 1.5 -0.884 0 CA-C-N 116.192 -0.458 . . . . 0.0 112.178 174.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 29.8 m170 -107.05 149.78 27.22 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.061 0.458 . . . . 0.0 112.109 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 65.9 tp -107.39 126.21 52.19 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.377 -175.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.435 ' O ' ' HA ' ' A' 1517 ' ' GLN . 86.6 m-85 -108.69 115.3 29.83 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 178.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -128.89 154.57 46.38 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 121.054 -0.258 . . . . 0.0 110.44 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.5 mt -123.21 24.91 8.64 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.609 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 14.9 m -66.71 -27.75 67.89 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.651 -173.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 23.9 m -81.8 -7.6 59.61 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.02 0.438 . . . . 0.0 110.998 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 87.8 mt -106.82 0.16 23.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.409 178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . 0.513 ' HA ' ' O ' ' A' 1552 ' ' ILE . 26.0 t -69.06 144.39 54.0 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.365 -177.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -167.25 146.94 11.19 Favored Glycine 0 N--CA 1.434 -1.472 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 -179.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 59.0 mtp85 -84.08 -39.37 19.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.918 0.422 . . . . 0.0 111.415 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -84.04 -32.92 24.61 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.766 0.793 . . . . 0.0 108.984 175.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . 0.442 ' HA3' ' HA ' ' A' 1551 ' ' SER . . . 72.84 -138.44 25.76 Favored Glycine 0 N--CA 1.428 -1.871 0 CA-C-N 114.082 -1.417 . . . . 0.0 113.095 174.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 84.5 t80 -120.02 146.32 45.99 Favored 'General case' 0 C--N 1.288 -2.082 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 51.1 m -116.6 108.54 16.09 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-O 121.221 0.534 . . . . 0.0 110.071 177.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -96.1 106.65 18.86 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . 0.499 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -90.89 110.78 22.01 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.047 -176.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . 0.462 ' OH ' ' HB2' ' A' 1626 ' ' LEU . 98.3 m-85 -100.0 125.99 46.12 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 176.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . 65.15 -90.03 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 124.616 1.167 . . . . 0.0 110.826 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -145.35 -62.64 0.34 Allowed 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 122.817 0.447 . . . . 0.0 111.704 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -93.87 -7.2 61.49 Favored Glycine 0 N--CA 1.435 -1.371 0 C-N-CA 120.39 -0.909 . . . . 0.0 113.507 -174.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 61.8 m95 -91.85 64.35 4.74 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-O 121.906 0.86 . . . . 0.0 110.056 -178.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . 0.499 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . -92.97 117.07 5.29 Favored Glycine 0 N--CA 1.426 -2.002 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.664 178.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 17.7 t -88.28 111.93 23.06 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -89.57 104.05 16.64 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 105.92 -1.882 . . . . 0.0 105.92 176.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 15.1 ptm -119.93 113.79 21.09 Favored 'General case' 0 C--N 1.285 -2.21 0 CA-C-O 121.422 0.63 . . . . 0.0 110.641 -173.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . 0.442 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 24.5 m -88.49 152.29 21.97 Favored 'General case' 0 N--CA 1.424 -1.758 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . 0.513 ' O ' ' HA ' ' A' 1533 ' ' SER . 44.2 mm -111.83 104.57 17.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 -177.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 46.0 t 63.48 68.98 0.58 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.125 0.891 . . . . 0.0 110.178 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 165.58 -170.53 40.47 Favored Glycine 0 N--CA 1.435 -1.394 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.85 145.79 28.12 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.102 0.477 . . . . 0.0 110.114 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -85.55 110.81 19.48 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.422 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -79.72 3.25 19.87 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.307 -0.86 . . . . 0.0 113.29 -176.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -91.22 -6.48 53.32 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 177.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . 0.525 ' SG ' ' HB3' ' A' 1571 ' ' ARG . 83.2 m -130.23 179.25 1.38 Allowed Pre-proline 0 C--N 1.294 -1.809 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 178.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -57.19 119.88 7.43 Favored 'Trans proline' 0 C--N 1.357 1.01 0 C-N-CA 121.412 1.408 . . . . 0.0 110.695 174.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -51.21 107.07 0.15 Allowed 'Trans proline' 0 C--N 1.366 1.457 0 C-N-CA 123.212 2.608 . . . . 0.0 111.55 179.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 152.71 -32.0 0.83 Allowed Glycine 0 N--CA 1.431 -1.687 0 N-CA-C 107.967 -2.053 . . . . 0.0 107.967 -176.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 54.7 t -78.04 143.58 12.55 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 106.452 -1.684 . . . . 0.0 106.452 172.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -107.32 -20.88 8.32 Favored Glycine 0 C--N 1.316 -0.553 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.843 -177.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -151.99 139.03 19.11 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 69.9 m -127.47 133.81 49.87 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.658 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 72.5 t80 -103.45 118.18 36.16 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.661 -178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 89.32 177.27 45.92 Favored Glycine 0 N--CA 1.437 -1.259 0 CA-C-N 115.808 -0.633 . . . . 0.0 113.612 172.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -72.78 -24.52 60.95 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 123.209 0.604 . . . . 0.0 110.11 178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 24.9 m -72.96 -14.58 61.48 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-O 121.924 0.869 . . . . 0.0 109.572 174.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . 0.525 ' HB3' ' SG ' ' A' 1559 ' ' CYS . 99.2 mtt180 57.26 47.58 16.63 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 126.044 1.738 . . . . 0.0 112.103 176.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.84 126.15 23.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.203 -1.362 . . . . 0.0 109.209 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 37.4 p -61.92 111.63 1.98 Allowed 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 121.298 0.571 . . . . 0.0 111.287 -178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.49 HG23 ' HB3' ' A' 1606 ' ' TYR . 12.8 p -109.83 30.41 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-O 123.262 1.506 . . . . 0.0 108.384 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . 0.539 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 148.29 138.64 3.06 Favored Glycine 0 N--CA 1.413 -2.87 0 CA-C-N 114.037 -1.438 . . . . 0.0 112.926 176.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 49.3 tptt -78.44 159.02 28.51 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 175.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -62.54 86.32 0.02 OUTLIER 'General case' 0 C--O 1.248 0.981 0 CA-C-O 121.409 0.623 . . . . 0.0 111.126 177.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -102.23 135.21 44.23 Favored 'General case' 0 CA--C 1.493 -1.228 0 C-N-CA 124.419 1.088 . . . . 0.0 109.125 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . 0.537 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 0.0 OUTLIER -138.19 38.6 2.31 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-O 122.435 1.112 . . . . 0.0 110.388 -179.052 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -97.21 92.08 5.84 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 176.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.542 HD21 ' HB3' ' A' 1588 ' ' LEU . 2.6 tt -76.66 123.45 26.15 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -176.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -102.93 129.96 49.83 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' 1586 ' ' GLN . 80.6 t80 -98.47 100.56 11.82 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.459 -1.312 . . . . 0.0 107.459 176.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 19.4 m -119.89 106.1 18.41 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.967 -174.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 35.7 t70 56.11 49.55 15.35 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 122.11 0.957 . . . . 0.0 110.137 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . 0.561 ' HA ' ' CE1' ' A' 1583 ' ' TYR . 24.8 tt0 60.94 26.75 16.66 Favored 'General case' 0 CA--C 1.553 1.078 0 CA-C-N 114.437 -1.256 . . . . 0.0 111.567 -179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 97.3 t -119.45 132.26 69.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 175.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.571 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 96.4 mt -89.69 113.5 25.0 Favored 'General case' 0 C--N 1.292 -1.9 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -110.01 131.0 55.45 Favored 'General case' 0 C--N 1.288 -2.081 0 CA-C-O 120.833 0.349 . . . . 0.0 111.529 -177.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 70.0 mt -114.62 123.28 48.92 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 171.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 6.4 p -120.09 111.05 30.88 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-O 121.907 0.861 . . . . 0.0 110.823 -178.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . 0.539 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 97.7 m-85 -89.95 100.46 13.27 Favored 'General case' 0 N--CA 1.422 -1.83 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.012 179.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -95.94 173.1 7.61 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.217 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 18.4 t70 62.51 87.46 0.1 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.065 1.346 . . . . 0.0 112.09 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -127.57 -156.86 9.23 Favored Glycine 0 N--CA 1.431 -1.635 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 44.3 m -68.63 131.31 91.44 Favored Pre-proline 0 C--N 1.309 -1.163 0 CA-C-N 117.302 0.551 . . . . 0.0 110.411 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -63.78 114.57 2.64 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.866 2.377 . . . . 0.0 110.961 177.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 55.7 m -73.53 138.56 77.63 Favored Pre-proline 0 C--N 1.299 -1.623 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.343 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -69.47 4.33 2.13 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 123.463 2.776 . . . . 0.0 111.918 176.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 24.7 t -70.74 -19.45 62.73 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.553 1.141 . . . . 0.0 111.326 178.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 3.4 mppt? 70.84 -57.17 0.6 Allowed 'General case' 0 N--CA 1.499 2.008 0 C-N-CA 124.162 0.985 . . . . 0.0 111.015 -175.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 47.6 t -81.37 108.15 14.74 Favored 'General case' 0 N--CA 1.427 -1.61 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 175.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 87.69 48.54 4.16 Favored Glycine 0 N--CA 1.435 -1.414 0 N-CA-C 110.886 -0.886 . . . . 0.0 110.886 -179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.38 86.14 7.12 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-O 122.055 0.931 . . . . 0.0 112.659 -178.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 33.7 p 168.36 119.74 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 113.719 -1.582 . . . . 0.0 108.687 177.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.49 ' HB3' HG23 ' A' 1574 ' ' VAL . 42.4 m-85 -70.3 121.94 18.61 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 120.645 -0.422 . . . . 0.0 109.981 172.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 98.4 mttt -125.57 157.7 36.47 Favored 'General case' 0 C--O 1.248 1.011 0 C-N-CA 123.242 0.617 . . . . 0.0 111.11 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 23.1 t -134.67 128.53 33.23 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.182 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 57.9 t -116.84 109.91 29.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 48.2 mt -101.69 119.51 50.03 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 17.7 t -108.05 102.8 11.93 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.571 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 93.9 m-85 -89.69 101.51 14.2 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 58.5 t -92.59 137.44 22.25 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.945 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.702 -176.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 11.0 t -67.63 107.16 2.43 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 124.052 0.845 . . . . 0.0 111.242 -179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . 0.549 ' NE ' ' HA ' ' A' 1615 ' ' ARG . 4.4 mmp_? -136.43 100.99 10.12 Favored Pre-proline 0 C--N 1.312 -1.055 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.56 175.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -71.88 -4.98 16.14 Favored 'Trans proline' 0 CA--C 1.541 0.873 0 C-N-CA 122.832 2.354 . . . . 0.0 111.372 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . 0.449 ' OE1' ' HD3' ' A' 1615 ' ' ARG . 41.3 mt-10 -76.43 -18.84 58.61 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 124.152 0.981 . . . . 0.0 110.521 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -72.4 134.87 45.64 Favored 'General case' 0 N--CA 1.435 -1.223 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.562 -177.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -126.11 -137.91 4.75 Favored Glycine 0 N--CA 1.432 -1.591 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -81.02 25.69 0.63 Allowed 'Trans proline' 0 CA--C 1.545 1.061 0 C-N-CA 122.573 2.182 . . . . 0.0 113.247 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 2.7 m -121.63 15.81 11.11 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.783 -1.191 . . . . 0.0 107.783 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -54.98 109.78 0.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.993 -175.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -146.04 138.87 14.07 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.091 -177.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.422 ' HB3' ' CE3' ' A' 1640 ' ' TRP . 87.9 Cg_endo -82.79 161.09 16.3 Favored 'Trans proline' 0 C--O 1.248 1.006 0 C-N-CA 122.776 2.317 . . . . 0.0 111.527 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -140.45 143.93 35.83 Favored 'General case' 0 C--O 1.249 1.041 0 CA-C-O 121.236 0.541 . . . . 0.0 111.122 178.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . 0.462 ' HB2' ' OH ' ' A' 1542 ' ' TYR . 2.1 tt -80.7 103.25 10.42 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.8 mm -79.59 -48.79 20.43 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.225 -175.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 33.4 t -137.47 129.37 28.88 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 121.249 0.547 . . . . 0.0 110.124 -176.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.422 HD23 HD11 ' A' 1626 ' ' LEU . 1.0 OUTLIER -107.93 99.65 9.08 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 -179.75 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 26.2 t70 -101.75 98.16 8.46 Favored 'General case' 0 C--N 1.305 -1.343 0 C-N-CA 119.843 -0.743 . . . . 0.0 109.541 177.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 26.6 tptp -85.06 -4.89 59.32 Favored 'General case' 0 C--N 1.294 -1.81 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.518 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -74.17 -51.2 16.25 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.659 -176.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 13.1 p -112.94 14.99 19.82 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 121.498 0.666 . . . . 0.0 110.912 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.46 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 60.9 m 57.13 54.88 6.43 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-N 114.226 -1.352 . . . . 0.0 112.263 176.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 27.8 m -125.82 110.79 14.1 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -95.92 126.04 40.9 Favored 'General case' 0 C--N 1.305 -1.355 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.92 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -101.97 114.19 28.08 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.613 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -115.79 130.13 56.72 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 13.2 t -113.02 142.54 45.6 Favored 'General case' 0 N--CA 1.415 -2.195 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 177.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . 0.422 ' CE3' ' HB3' ' A' 1624 ' ' PRO . 2.0 t90 -129.25 126.41 39.02 Favored 'General case' 0 N--CA 1.421 -1.903 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 -178.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 47.2 m80 -97.56 101.65 13.22 Favored 'General case' 0 C--N 1.292 -1.927 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 7.9 t -123.66 142.59 39.55 Favored Pre-proline 0 C--N 1.295 -1.765 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.423 -174.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -79.43 -3.74 13.19 Favored 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 122.633 2.222 . . . . 0.0 110.947 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 91.1 mt -84.39 -7.49 59.29 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 121.462 0.649 . . . . 0.0 110.361 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -95.2 7.36 46.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.887 0.851 . . . . 0.0 108.833 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 83.2 m -109.35 141.56 41.53 Favored 'General case' 0 N--CA 1.429 -1.518 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.33 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -87.54 83.09 7.3 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 121.867 0.841 . . . . 0.0 110.724 178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 81.9 mt -94.57 102.44 14.37 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.022 -178.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.572 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.744 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 CA--C 1.501 -0.918 0 CA-C-O 121.226 0.536 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -82.69 140.65 32.99 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.463 -177.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 14.8 m -69.73 -2.19 11.22 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 114.897 -1.047 . . . . 0.0 112.367 -177.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -75.58 -22.28 57.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.666 0.746 . . . . 0.0 109.694 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -129.83 67.98 1.45 Allowed 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 -178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -105.89 126.86 52.68 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.019 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 11.5 t70 -103.4 142.76 33.68 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 175.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -117.96 24.97 10.68 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . 0.637 ' SG ' ' HB2' ' A' 1529 ' ' LEU . 10.7 t 69.62 39.46 1.53 Allowed 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 124.591 1.156 . . . . 0.0 110.39 174.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -152.02 130.06 11.84 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.06 179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 65.8 t -119.6 136.66 56.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 28.0 m -101.74 125.04 48.33 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 177.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 43.5 t30 -98.44 113.21 63.9 Favored Pre-proline 0 C--N 1.315 -0.895 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.68 -16.02 53.13 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.083 2.522 . . . . 0.0 113.954 -175.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.3 m -66.64 -40.86 88.89 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 120.697 0.284 . . . . 0.0 110.989 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 13.9 p -109.42 -30.87 7.75 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.57 0.7 . . . . 0.0 111.654 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 92.18 6.97 64.35 Favored Glycine 0 N--CA 1.437 -1.248 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -178.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -90.76 144.31 25.85 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 -176.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 64.2 tp -97.37 132.5 43.03 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.517 ' CE1' ' HB3' ' A' 1647 ' ' GLU . 59.6 m-85 -105.37 114.56 28.81 Favored 'General case' 0 CA--C 1.485 -1.523 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 175.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.28 133.21 53.79 Favored 'General case' 0 C--N 1.292 -1.915 0 C-N-CA 118.318 -1.353 . . . . 0.0 109.647 177.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . 0.637 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 96.1 mt -106.5 9.47 31.58 Favored 'General case' 0 C--N 1.284 -2.255 0 N-CA-C 106.451 -1.685 . . . . 0.0 106.451 171.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.8 m -63.76 -31.21 72.31 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 124.682 1.193 . . . . 0.0 108.87 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 29.2 m -63.7 -24.21 67.68 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.843 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 96.4 mt -104.47 -13.47 16.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.658 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 20.4 t -62.54 114.62 3.65 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 121.815 0.817 . . . . 0.0 109.693 -176.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -154.31 151.24 22.95 Favored Glycine 0 N--CA 1.409 -3.139 0 N-CA-C 108.411 -1.876 . . . . 0.0 108.411 -178.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -84.37 -19.56 33.39 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 123.89 0.406 . . . . 0.0 111.747 -173.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -88.08 -29.25 20.78 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 174.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 64.4 -115.99 8.52 Favored Glycine 0 N--CA 1.441 -1.014 0 CA-C-N 114.047 -1.433 . . . . 0.0 113.276 174.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 55.9 t80 -146.69 141.51 26.89 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 107.641 -1.244 . . . . 0.0 107.641 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' 1548 ' ' VAL . 27.6 m -120.58 107.51 12.92 Favored 'General case' 0 C--N 1.306 -1.292 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -93.39 134.8 35.26 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.47 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -112.61 137.92 50.16 Favored 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . 0.476 ' HB2' ' HB2' ' A' 1546 ' ' TRP . 95.1 m-85 -126.91 141.62 51.76 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 120.839 0.352 . . . . 0.0 110.546 -178.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -65.72 -15.94 63.3 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.091 -0.958 . . . . 0.0 113.097 -174.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -84.13 7.76 17.8 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.94 0.4 . . . . 0.0 111.564 176.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 87.08 39.32 7.47 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.157 176.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . 0.476 ' HB2' ' HB2' ' A' 1542 ' ' TYR . 11.2 m0 -122.61 147.77 46.03 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.328 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -147.33 136.85 6.29 Favored Glycine 0 C--N 1.293 -1.841 0 N-CA-C 108.33 -1.908 . . . . 0.0 108.33 177.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' 1539 ' ' THR . 8.1 p -135.16 123.98 40.98 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.833 0 CA-C-N 117.91 0.855 . . . . 0.0 111.813 -177.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . 0.433 ' O ' ' HA ' ' A' 1565 ' ' ALA . 58.9 m-85 -99.37 113.99 26.63 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 177.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . 0.541 ' O ' ' HA3' ' A' 1537 ' ' GLY . 22.3 ptp -124.26 131.92 53.55 Favored 'General case' 0 C--N 1.289 -2.033 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.298 -179.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 21.4 t -94.97 149.87 20.78 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 106.301 -1.741 . . . . 0.0 106.301 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 50.0 mm -105.31 104.89 17.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 C-N-CA 119.812 -0.755 . . . . 0.0 109.904 -177.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 73.4 m 67.95 43.62 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.381 -1.281 . . . . 0.0 112.152 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 179.01 -163.8 31.65 Favored Glycine 0 N--CA 1.434 -1.454 0 C-N-CA 120.466 -0.874 . . . . 0.0 111.151 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.26 147.7 22.93 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 120.732 0.301 . . . . 0.0 110.632 177.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -91.73 127.77 37.32 Favored 'General case' 0 CA--C 1.496 -1.129 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 -174.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -72.26 -8.76 56.58 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -174.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -88.96 -15.45 34.2 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 176.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 86.0 m -105.23 160.36 26.26 Favored Pre-proline 0 C--N 1.303 -1.437 0 CA-C-N 114.491 -1.231 . . . . 0.0 109.84 -176.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' 1561 ' ' PRO . 85.0 Cg_exo -54.14 143.9 60.99 Favored 'Trans proline' 0 CA--C 1.545 1.033 0 C-N-CA 123.242 2.628 . . . . 0.0 111.1 175.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 77.0 Cg_exo -50.33 101.41 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.09 0 C-N-CA 124.24 3.293 . . . . 0.0 113.452 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 128.98 -18.89 5.55 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.016 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 58.5 t -88.49 132.9 32.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.223 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -105.04 -21.33 9.04 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.996 -176.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' 1549 ' ' TYR . . . -142.68 134.27 26.58 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-O 120.895 0.379 . . . . 0.0 110.831 -178.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 84.5 m -128.32 137.67 52.05 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.056 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 89.0 t80 -122.5 140.08 53.15 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.263 0.554 . . . . 0.0 111.173 -176.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 95.41 171.76 36.48 Favored Glycine 0 N--CA 1.431 -1.689 0 CA-C-N 115.39 -0.823 . . . . 0.0 113.065 173.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -79.63 -14.8 58.55 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-O 121.699 0.761 . . . . 0.0 109.758 178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 5.2 m -89.32 -1.63 58.13 Favored 'General case' 0 CA--C 1.557 1.248 0 CA-C-O 122.425 1.107 . . . . 0.0 109.269 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 52.47 49.93 19.37 Favored 'General case' 0 C--N 1.361 1.075 0 CA-C-N 113.894 -1.503 . . . . 0.0 112.214 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 77.1 mt -70.77 131.08 34.78 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.157 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.298 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 2.7 p -65.93 110.96 3.08 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-O 121.071 0.462 . . . . 0.0 110.265 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.452 HG23 ' HB3' ' A' 1606 ' ' TYR . 7.1 p -105.65 1.84 10.26 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.113 -174.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 179.87 139.66 3.84 Favored Glycine 0 N--CA 1.439 -1.125 0 C-N-CA 119.883 -1.151 . . . . 0.0 113.477 179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 45.0 tptt -77.59 153.58 33.12 Favored 'General case' 0 C--N 1.311 -1.073 0 N-CA-C 107.778 -1.194 . . . . 0.0 107.778 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -67.67 100.43 0.9 Allowed 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.903 0.481 . . . . 0.0 111.734 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 33.9 t30 -113.29 136.28 52.92 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.61 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.74 31.31 4.98 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.427 0.632 . . . . 0.0 111.983 -179.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -92.74 91.45 7.5 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' 1588 ' ' LEU . 40.9 tp -78.66 112.82 16.15 Favored 'General case' 0 N--CA 1.433 -1.307 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.473 -177.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -106.86 129.27 54.73 Favored 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.495 -178.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 84.5 t80 -96.7 105.02 17.06 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 174.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 17.0 m -136.11 138.61 47.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 -176.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 32.8 t70 53.67 42.06 31.93 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 122.269 1.033 . . . . 0.0 110.678 178.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 7.1 mp0 66.11 8.7 5.69 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 114.623 -1.172 . . . . 0.0 113.556 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 19.3 m -124.56 161.83 27.28 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.167 0 O-C-N 121.61 -0.682 . . . . 0.0 110.51 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.549 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 0.5 OUTLIER -97.9 123.81 42.04 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.129 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -123.12 123.62 41.24 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -175.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 72.4 mt -116.77 123.13 46.4 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.681 -1.145 . . . . 0.0 108.591 174.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 60.1 t -112.11 112.12 39.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.403 0 CA-C-O 121.189 0.519 . . . . 0.0 110.042 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -95.4 94.39 7.79 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -106.69 175.55 5.46 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.628 -174.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 38.5 t70 61.53 60.37 1.67 Allowed 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 125.335 1.454 . . . . 0.0 111.749 178.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -87.91 -155.48 28.98 Favored Glycine 0 N--CA 1.416 -2.686 0 N-CA-C 109.098 -1.601 . . . . 0.0 109.098 171.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 21.8 m -71.21 147.4 93.27 Favored Pre-proline 0 C--N 1.284 -2.263 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -59.97 135.02 60.22 Favored 'Trans proline' 0 C--O 1.248 1.02 0 C-N-CA 122.507 2.138 . . . . 0.0 110.068 174.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . 0.473 ' HB2' ' HB2' ' A' 1601 ' ' LYS . 34.2 m -70.07 122.45 86.18 Favored Pre-proline 0 C--N 1.287 -2.133 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.567 -178.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -67.8 -14.7 42.36 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.019 1.812 . . . . 0.0 112.75 -176.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 14.5 m -107.68 -8.08 16.22 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.411 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . 0.473 ' HB2' ' HB2' ' A' 1598 ' ' CYS . 75.3 mmtt -141.19 62.54 1.46 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.714 -1.588 . . . . 0.0 106.714 -177.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 13.6 m -58.54 133.37 55.76 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.544 -177.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 106.25 -26.89 18.93 Favored Glycine 0 N--CA 1.436 -1.342 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -175.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 5.7 mp -99.81 144.27 29.07 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 5.9 m -118.46 140.12 50.35 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.452 ' HB3' HG23 ' A' 1574 ' ' VAL . 85.8 m-85 -61.2 140.0 58.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -140.62 139.32 34.85 Favored 'General case' 0 C--O 1.245 0.856 0 O-C-N 123.841 0.713 . . . . 0.0 109.727 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 23.6 m -111.66 125.79 54.33 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.983 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 64.4 t -108.75 104.54 17.24 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 60.8 mt -99.79 116.48 43.12 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.439 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 20.1 m -111.11 116.62 31.42 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.993 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.549 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 65.1 m-85 -92.36 113.08 25.25 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 31.6 t -109.3 144.12 18.22 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 -178.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 8.8 t -60.68 125.09 22.41 Favored 'General case' 0 C--O 1.249 1.053 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -145.66 95.38 4.94 Favored Pre-proline 0 N--CA 1.432 -1.343 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 172.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -75.48 1.0 8.45 Favored 'Trans proline' 0 CA--C 1.536 0.612 0 C-N-CA 122.83 2.353 . . . . 0.0 112.447 -178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -87.89 42.2 1.04 Allowed 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 124.119 0.968 . . . . 0.0 110.12 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -48.81 134.23 16.69 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 124.936 1.294 . . . . 0.0 112.729 -177.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 169.33 -128.49 1.68 Allowed Glycine 0 N--CA 1.427 -1.905 0 N-CA-C 107.801 -2.12 . . . . 0.0 107.801 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -80.9 10.4 3.39 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.726 2.284 . . . . 0.0 110.828 175.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 5.1 p -92.19 -15.95 26.91 Favored 'General case' 0 N--CA 1.432 -1.347 0 C-N-CA 125.371 1.469 . . . . 0.0 112.5 -176.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . 0.645 ' HA ' ' O ' ' A' 1641 ' ' HIS . 28.9 p-10 -84.89 40.84 0.83 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.682 0.753 . . . . 0.0 111.609 -174.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 -110.99 140.94 23.22 Favored Pre-proline 0 C--N 1.295 -1.791 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -177.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.75 122.61 7.43 Favored 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 121.883 1.722 . . . . 0.0 109.986 175.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 84.3 mtp -105.78 147.15 28.95 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.8 tt -90.39 100.5 13.32 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.0 mm -80.65 -46.0 21.4 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.315 -174.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . 0.408 ' HB2' ' CD1' ' A' 1637 ' ' PHE . 14.7 m -137.63 126.56 24.14 Favored 'General case' 0 C--N 1.304 -1.397 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.902 -178.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.18 95.54 5.91 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 105.659 -1.978 . . . . 0.0 105.659 177.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.4 t70 -100.91 101.36 12.16 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.178 -176.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 64.8 mttp -84.47 1.32 46.07 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.78 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -77.93 -46.62 20.7 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 15.8 p -117.09 11.79 14.31 Favored 'General case' 0 N--CA 1.433 -1.32 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.568 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.405 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 80.6 m 57.92 56.39 4.74 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.607 -1.179 . . . . 0.0 111.267 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 31.1 m -132.36 124.87 29.59 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.033 0.444 . . . . 0.0 110.417 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.8 mp -105.22 121.13 43.2 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . 0.408 ' CD1' ' HB2' ' A' 1628 ' ' SER . 95.6 m-85 -95.19 108.25 20.37 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.057 -178.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -107.71 135.7 48.7 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.767 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 74.4 m -119.6 116.57 26.29 Favored 'General case' 0 C--N 1.297 -1.714 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 176.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . 0.402 ' CD1' ' HB ' ' A' 1642 ' ' THR . 2.2 t-105 -101.28 133.08 46.4 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . 0.645 ' O ' ' HA ' ' A' 1622 ' ' ASN . 81.9 m-70 -104.99 101.91 11.44 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 -178.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . 0.402 ' HB ' ' CD1' ' A' 1640 ' ' TRP . 9.9 t -128.17 141.85 42.63 Favored Pre-proline 0 C--N 1.303 -1.456 0 CA-C-O 121.58 0.705 . . . . 0.0 111.267 -174.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -73.01 -11.46 25.44 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.43 2.754 . . . . 0.0 111.337 176.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 93.8 mt -77.51 -17.52 57.9 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.582 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -90.27 5.83 45.49 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.361 0.6 . . . . 0.0 110.378 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 63.0 m -93.74 146.85 23.56 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.735 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . 0.517 ' HB3' ' CE1' ' A' 1527 ' ' PHE . 10.2 pt-20 -122.31 75.13 1.21 Allowed 'General case' 0 C--N 1.307 -1.28 0 CA-C-O 122.386 1.089 . . . . 0.0 111.127 -179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 39.3 tp -86.87 91.15 8.57 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.296 -1.747 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -178.418 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 CA--C 1.507 -0.678 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 52.8 mtpt 59.28 22.97 11.33 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.786 1.234 . . . . 0.0 113.812 175.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 10.9 t 60.87 46.72 8.39 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 122.127 0.965 . . . . 0.0 109.824 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 9.1 t30 -80.09 -41.71 25.02 Favored 'General case' 0 CA--C 1.506 -0.74 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.034 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -71.38 138.53 49.25 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.534 -178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -103.06 102.68 12.71 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 -177.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 2.8 m-20 57.46 50.5 11.14 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.1 0.96 . . . . 0.0 111.277 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -77.78 -61.41 2.0 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.745 -176.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 61.7 m 52.39 52.46 14.15 Favored 'General case' 0 C--O 1.252 1.191 0 C-N-CA 123.366 0.667 . . . . 0.0 111.795 -177.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' 1527 ' ' PHE . 13.5 pt20 -143.74 133.38 23.66 Favored 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.177 174.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 60.2 t -117.54 132.18 68.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.037 -177.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 9.9 m -101.34 120.51 40.37 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 175.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -86.99 111.1 38.18 Favored Pre-proline 0 C--N 1.305 -1.342 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.62 -10.2 25.54 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.303 2.669 . . . . 0.0 114.058 -175.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 31.9 t -80.81 -53.43 6.49 Favored 'General case' 0 N--CA 1.433 -1.307 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 45.6 p -94.39 -30.28 14.56 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 121.001 0.429 . . . . 0.0 112.126 -178.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 94.56 10.71 57.76 Favored Glycine 0 N--CA 1.441 -1.03 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.856 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 12.0 t60 -88.62 139.48 30.43 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 122.389 -0.477 . . . . 0.0 110.41 -177.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 62.2 tp -101.54 112.78 25.44 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.553 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.432 ' O ' ' HA ' ' A' 1517 ' ' GLN . 91.2 m-85 -95.7 106.94 19.11 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.452 -177.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 3.6 p30 -116.99 154.17 31.36 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 72.8 mt -119.76 28.57 8.05 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-N 116.668 -0.242 . . . . 0.0 110.59 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 46.3 p -55.96 -33.76 65.07 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 21.3 p -73.85 -27.76 61.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.27 0.557 . . . . 0.0 111.428 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 77.5 mt -96.24 -0.21 50.11 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 33.9 m -82.92 97.92 8.93 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-O 121.107 0.48 . . . . 0.0 109.775 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -107.6 136.86 13.69 Favored Glycine 0 N--CA 1.435 -1.396 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -81.36 -22.37 38.46 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -84.27 -27.12 28.1 Favored 'General case' 0 C--N 1.31 -1.141 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 173.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 95.37 -159.52 22.56 Favored Glycine 0 N--CA 1.414 -2.794 0 CA-C-N 113.687 -1.597 . . . . 0.0 109.927 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 69.9 m-85 -125.11 136.81 54.0 Favored 'General case' 0 C--N 1.278 -2.531 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.53 ' HA ' ' O ' ' A' 1548 ' ' VAL . 41.2 m -126.72 107.21 9.96 Favored 'General case' 0 C--N 1.282 -2.327 0 C-N-CA 120.094 -0.643 . . . . 0.0 110.227 178.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -96.51 106.84 19.15 Favored 'General case' 0 N--CA 1.421 -1.906 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 175.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . 0.433 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -95.9 104.67 16.61 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-O 121.175 0.512 . . . . 0.0 110.126 -179.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -80.68 145.1 31.78 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -74.58 35.45 0.1 Allowed 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.867 0.867 . . . . 0.0 112.908 -174.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.63 3.02 12.38 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 87.04 29.32 23.27 Favored Glycine 0 N--CA 1.442 -0.933 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -176.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 85.0 m95 -123.68 94.29 4.19 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-O 121.306 0.574 . . . . 0.0 111.54 -178.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . 0.433 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . -86.54 107.39 3.2 Favored Glycine 0 N--CA 1.434 -1.457 0 N-CA-C 108.934 -1.666 . . . . 0.0 108.934 172.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . 0.53 ' O ' ' HA ' ' A' 1539 ' ' THR . 23.1 t -92.42 108.33 20.07 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.453 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.754 -178.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -91.07 104.02 16.65 Favored 'General case' 0 C--N 1.309 -1.181 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.5 ptm -119.69 137.05 54.15 Favored 'General case' 0 C--N 1.278 -2.515 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.622 -175.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 34.5 t -96.94 149.64 21.66 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 50.7 mm -125.65 105.33 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.623 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 52.5 t 74.97 91.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 111.203 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 97.62 -157.38 20.78 Favored Glycine 0 N--CA 1.437 -1.269 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.268 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.47 149.31 26.3 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-O 120.901 0.381 . . . . 0.0 110.58 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -105.26 141.49 36.7 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.47 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.35 -0.13 24.48 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.304 -176.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -90.85 6.5 44.13 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 122.185 0.993 . . . . 0.0 108.765 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 62.1 m -137.11 164.07 44.75 Favored Pre-proline 0 N--CA 1.429 -1.48 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 175.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -63.44 128.06 21.51 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 121.648 1.565 . . . . 0.0 109.335 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -50.44 104.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.357 1.019 0 C-N-CA 123.324 2.683 . . . . 0.0 112.596 -177.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 137.55 -28.39 2.77 Favored Glycine 0 N--CA 1.429 -1.811 0 N-CA-C 108.588 -1.805 . . . . 0.0 108.588 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 87.0 t -88.27 143.45 11.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 174.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -124.21 9.48 8.37 Favored Glycine 0 N--CA 1.44 -1.093 0 C-N-CA 119.64 -1.267 . . . . 0.0 112.896 -176.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -165.52 129.64 2.32 Favored 'General case' 0 C--N 1.313 -1.02 0 CA-C-O 120.914 0.388 . . . . 0.0 110.386 179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 63.8 m -129.87 132.75 46.54 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 35.2 t80 -109.56 115.91 30.78 Favored 'General case' 0 C--N 1.293 -1.872 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.59 -176.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 94.26 175.71 39.07 Favored Glycine 0 N--CA 1.429 -1.829 0 C-N-CA 120.925 -0.655 . . . . 0.0 113.247 173.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -71.42 -23.79 61.92 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 123.596 0.758 . . . . 0.0 109.163 -178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 18.5 m -73.68 -11.39 60.4 Favored 'General case' 0 N--CA 1.434 -1.258 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.495 177.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 60.81 41.07 15.17 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 124.106 0.962 . . . . 0.0 111.782 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 65.3 mt -62.6 116.65 2.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 20.2 p -64.72 110.82 2.51 Favored 'General case' 0 N--CA 1.439 -1.004 0 CA-C-O 121.427 0.632 . . . . 0.0 110.733 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.828 HG23 ' HB3' ' A' 1606 ' ' TYR . 14.4 p -112.32 18.06 7.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.664 0 CA-C-O 122.242 1.02 . . . . 0.0 109.735 -174.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 169.55 137.92 2.37 Favored Glycine 0 N--CA 1.429 -1.786 0 C-N-CA 120.197 -1.002 . . . . 0.0 113.397 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 45.1 tptt -84.12 150.46 25.53 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 106.611 -1.626 . . . . 0.0 106.611 176.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -58.48 129.45 42.12 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 123.635 0.774 . . . . 0.0 112.557 -176.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -129.12 140.74 51.43 Favored 'General case' 0 C--O 1.253 1.274 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 24.0 pttm -136.89 15.79 3.07 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.544 0.687 . . . . 0.0 110.109 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -96.61 93.29 6.67 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.497 -178.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 17.3 mt -75.86 131.29 39.61 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 120.742 0.306 . . . . 0.0 111.646 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -119.8 138.77 53.15 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 173.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . 0.572 ' CZ ' ' HA ' ' A' 1586 ' ' GLN . 22.9 t80 -112.8 100.91 9.04 Favored 'General case' 0 C--N 1.308 -1.202 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -176.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 14.4 m -119.74 112.32 36.54 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.088 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.3 t70 59.92 48.97 8.26 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-O 122.403 1.097 . . . . 0.0 111.237 177.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . 0.572 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 50.7 mt-30 65.71 19.64 11.42 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 114.419 -1.264 . . . . 0.0 112.112 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 62.6 t -125.34 125.65 69.4 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.405 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.494 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 76.2 mt -85.14 140.17 31.14 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 175.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -136.74 134.74 37.45 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 119.627 -0.829 . . . . 0.0 111.591 -176.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 83.6 mt -130.08 123.84 31.4 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 124.952 1.301 . . . . 0.0 108.714 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.7 p -113.49 111.86 37.88 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 CA-C-O 121.978 0.894 . . . . 0.0 111.469 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -92.67 91.08 7.36 Favored 'General case' 0 C--N 1.288 -2.099 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 177.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 54.0 pttt -112.54 169.3 8.98 Favored 'General case' 0 C--N 1.293 -1.873 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.252 -175.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 35.7 t70 68.6 88.83 0.11 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.954 1.301 . . . . 0.0 112.231 178.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -132.77 -122.17 2.3 Favored Glycine 0 N--CA 1.425 -2.048 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 38.7 m -76.55 145.75 75.94 Favored Pre-proline 0 C--N 1.298 -1.655 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -74.98 141.78 27.11 Favored 'Trans proline' 0 C--O 1.243 0.746 0 C-N-CA 122.65 2.233 . . . . 0.0 110.771 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 60.3 m -83.27 118.11 70.61 Favored Pre-proline 0 C--N 1.3 -1.584 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.131 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -69.29 -22.65 33.96 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.455 2.103 . . . . 0.0 109.717 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 1.5 m -64.25 -34.01 77.14 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-N 114.143 -1.389 . . . . 0.0 110.455 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -154.22 103.63 2.55 Favored 'General case' 0 N--CA 1.438 -1.069 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.66 -176.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 11.5 m -62.47 110.09 1.57 Allowed 'General case' 0 C--N 1.307 -1.273 0 C-N-CA 123.757 0.823 . . . . 0.0 110.407 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 134.79 -27.32 3.21 Favored Glycine 0 N--CA 1.435 -1.416 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 90.5 mt -97.89 157.59 16.01 Favored 'General case' 0 C--O 1.253 1.253 0 CA-C-O 121.332 0.587 . . . . 0.0 110.833 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 36.1 t -136.65 152.13 50.07 Favored 'General case' 0 N--CA 1.418 -2.047 0 N-CA-C 106.893 -1.521 . . . . 0.0 106.893 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.828 ' HB3' HG23 ' A' 1574 ' ' VAL . 96.9 m-85 -65.15 131.97 47.93 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.568 -179.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -138.23 143.92 40.35 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.961 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 19.7 m -116.98 119.88 36.67 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.792 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 48.3 t -103.9 110.02 28.94 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 67.0 mt -101.33 125.84 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.237 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 16.8 p -121.27 124.67 45.18 Favored 'General case' 0 C--N 1.299 -1.609 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.668 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.494 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 76.8 m-85 -101.28 101.14 11.76 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 42.2 t -84.27 132.59 31.19 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.881 -175.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' 1586 ' ' GLN . 43.8 t -62.32 105.22 0.58 Allowed 'General case' 0 C--O 1.242 0.675 0 O-C-N 124.068 0.855 . . . . 0.0 110.116 176.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -129.39 91.32 41.78 Favored Pre-proline 0 C--N 1.305 -1.332 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -59.4 -37.08 92.13 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 123.153 2.569 . . . . 0.0 112.967 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -100.89 34.25 2.54 Favored 'General case' 0 C--O 1.248 1.014 0 CA-C-O 120.964 0.411 . . . . 0.0 111.386 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -70.62 163.17 27.58 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.548 178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -163.6 -107.78 0.21 Allowed Glycine 0 C--N 1.302 -1.359 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 -177.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 14.8 Cg_endo -59.39 -20.52 56.6 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 122.663 2.242 . . . . 0.0 113.401 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 70.2 p -92.32 14.82 15.31 Favored 'General case' 0 C--O 1.243 0.738 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -83.68 49.33 1.58 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-O 122.506 1.146 . . . . 0.0 108.451 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -136.09 144.62 48.94 Favored Pre-proline 0 C--N 1.307 -1.261 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -67.04 122.22 9.51 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 121.843 1.695 . . . . 0.0 110.297 178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 15.0 tpt -109.88 138.89 45.61 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.216 -178.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.7 tt -83.72 103.86 13.37 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 105.423 -2.066 . . . . 0.0 105.423 176.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.0 mm -82.03 -50.09 16.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.248 -174.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 21.2 t -137.72 134.16 35.01 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.89 97.09 6.78 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 -179.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 20.7 t70 -103.04 101.59 11.57 Favored 'General case' 0 C--N 1.301 -1.534 0 C-N-CA 118.921 -1.112 . . . . 0.0 110.224 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -84.21 -7.09 59.45 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.861 -178.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -76.81 -49.9 14.76 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 120.97 0.414 . . . . 0.0 110.627 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 46.0 p -98.89 6.38 46.81 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-O 121.484 0.659 . . . . 0.0 110.643 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 59.6 m 59.1 45.48 14.53 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.297 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 18.1 m -122.73 118.21 27.52 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.144 -176.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.9 mp -103.08 125.74 49.94 Favored 'General case' 0 N--CA 1.428 -1.562 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -98.19 120.23 38.23 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.426 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -117.44 138.89 51.54 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 10.9 t -133.14 141.03 47.93 Favored 'General case' 0 C--N 1.285 -2.202 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.3 t90 -124.31 128.8 49.67 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 66.6 m170 -90.26 105.44 17.81 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 174.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 4.2 t -132.34 137.37 29.83 Favored Pre-proline 0 C--N 1.301 -1.515 0 CA-C-O 121.257 0.551 . . . . 0.0 111.69 -177.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -80.28 -3.25 12.5 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 122.555 2.17 . . . . 0.0 111.046 174.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.6 mt -83.58 -12.26 56.33 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.098 0.475 . . . . 0.0 110.651 -179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -86.03 -10.01 55.77 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 175.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 42.2 m -100.17 157.6 16.46 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -102.77 111.29 23.55 Favored 'General case' 0 C--N 1.294 -1.819 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.378 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 93.5 mt -110.5 140.17 45.03 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.691 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 177.655 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 121.738 0.78 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 61.2 tttm -149.93 118.73 6.61 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 30.5 m -146.43 35.82 0.98 Allowed 'General case' 0 C--N 1.302 -1.496 0 CA-C-O 121.599 0.714 . . . . 0.0 110.068 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -90.08 25.33 2.18 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.667 0.746 . . . . 0.0 110.653 -177.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -74.08 -15.29 61.06 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.429 177.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 43.7 m80 -83.39 65.61 8.43 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 25.6 t70 -108.02 48.14 0.86 Allowed 'General case' 0 C--N 1.294 -1.815 0 CA-C-O 122.366 1.079 . . . . 0.0 109.126 -174.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 22.0 t70 -103.67 53.29 0.76 Allowed 'General case' 0 C--N 1.313 -1.006 0 N-CA-C 106.108 -1.812 . . . . 0.0 106.108 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 83.4 m 67.68 59.65 0.47 Allowed 'General case' 0 C--O 1.25 1.081 0 CA-C-N 113.72 -1.582 . . . . 0.0 111.292 -175.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.402 ' CG ' HD11 ' A' 1526 ' ' LEU . 28.1 tt0 -150.93 134.43 16.31 Favored 'General case' 0 N--CA 1.436 -1.171 0 CA-C-N 114.341 -1.3 . . . . 0.0 108.687 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 90.2 t -133.45 137.4 53.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 18.2 m -116.09 130.96 57.05 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . 0.45 ' HA ' ' HD3' ' A' 1521 ' ' PRO . 29.9 p30 -94.26 131.89 30.35 Favored Pre-proline 0 C--N 1.312 -1.05 0 C-N-CA 119.517 -0.873 . . . . 0.0 109.933 178.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' 1520 ' ' ASN . 3.7 Cg_exo -79.66 -5.92 14.2 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 121.922 1.748 . . . . 0.0 111.91 178.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 14.9 m -74.39 -57.86 3.67 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.959 -178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 3.9 p -115.14 -7.42 12.45 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 82.64 17.92 67.15 Favored Glycine 0 N--CA 1.441 -1.02 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.824 176.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 27.9 m170 -91.98 140.86 29.24 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.206 0.527 . . . . 0.0 111.683 -177.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . 0.402 HD11 ' CG ' ' A' 1517 ' ' GLN . 59.3 tp -98.49 130.17 45.08 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.854 -176.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -113.4 132.81 55.48 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 175.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 4.0 p30 -150.33 157.09 42.67 Favored 'General case' 0 C--N 1.298 -1.669 0 C-N-CA 120.634 -0.426 . . . . 0.0 109.902 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.6 mt -118.13 27.42 9.0 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 16.4 m -71.44 -9.17 57.75 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 113.526 0.935 . . . . 0.0 113.526 -173.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 28.5 p -91.57 -17.04 26.22 Favored 'General case' 0 C--N 1.309 -1.16 0 O-C-N 121.76 -0.588 . . . . 0.0 111.406 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 95.7 mt -106.73 -16.51 14.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.961 0.41 . . . . 0.0 110.624 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 30.0 p -59.67 124.38 19.93 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 123.737 0.815 . . . . 0.0 112.029 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -172.01 147.9 10.42 Favored Glycine 0 N--CA 1.425 -2.051 0 N-CA-C 109.909 -1.276 . . . . 0.0 109.909 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -78.62 -18.24 54.82 Favored 'General case' 0 C--N 1.313 -0.978 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -175.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -85.89 -29.62 23.52 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . 0.451 ' HA3' ' HA ' ' A' 1551 ' ' SER . . . 69.14 -110.28 3.3 Favored Glycine 0 N--CA 1.433 -1.513 0 CA-C-N 114.263 -1.335 . . . . 0.0 113.734 174.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 57.1 t80 -163.64 132.12 3.75 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 59.4 m -91.53 107.84 19.49 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -98.35 105.66 17.84 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -101.14 127.22 47.79 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.309 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . 0.484 ' HB2' ' HB2' ' A' 1546 ' ' TRP . 64.2 m-85 -107.98 96.07 6.12 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 177.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . 64.55 30.98 12.63 Favored 'General case' 0 C--O 1.24 0.555 0 C-N-CA 124.532 1.133 . . . . 0.0 110.883 -178.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' 1544 ' ' LYS . 33.3 mmtp 67.84 -52.15 0.52 Allowed 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.356 1.613 . . . . 0.0 115.356 -178.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -55.15 -47.81 71.81 Favored Glycine 0 N--CA 1.468 0.77 0 N-CA-C 111.666 -0.574 . . . . 0.0 111.666 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . 0.484 ' HB2' ' HB2' ' A' 1542 ' ' TYR . 44.8 m0 -84.31 63.01 7.52 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.549 0.69 . . . . 0.0 109.191 175.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -79.31 95.1 1.41 Allowed Glycine 0 N--CA 1.429 -1.795 0 N-CA-C 109.82 -1.312 . . . . 0.0 109.82 176.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 89.8 t -85.31 102.45 11.15 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.994 0 CA-C-O 121.739 0.78 . . . . 0.0 109.812 -178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -84.33 105.02 14.85 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 107.032 -1.47 . . . . 0.0 107.032 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.5 ptm -122.57 130.04 52.58 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-O 121.374 0.607 . . . . 0.0 111.255 -176.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . 0.451 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 17.1 t -88.85 150.4 22.91 Favored 'General case' 0 N--CA 1.423 -1.789 0 N-CA-C 106.207 -1.775 . . . . 0.0 106.207 176.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 45.9 mm -108.27 93.72 2.68 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 36.1 t 70.18 61.25 0.24 Allowed 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 124.631 1.207 . . . . 0.0 110.377 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 169.25 -170.54 42.62 Favored Glycine 0 N--CA 1.428 -1.858 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -93.05 135.16 34.47 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -77.24 130.45 37.25 Favored 'General case' 0 C--N 1.288 -2.104 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.073 -175.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -72.47 -23.65 61.08 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.096 177.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 16.0 m120 -82.4 -1.38 49.83 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.067 0.46 . . . . 0.0 110.174 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 76.7 m -130.58 166.56 26.19 Favored Pre-proline 0 C--N 1.307 -1.257 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 -178.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -59.52 144.45 99.42 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 C-N-CA 122.321 2.014 . . . . 0.0 111.001 173.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -54.95 118.64 5.37 Favored 'Trans proline' 0 C--O 1.245 0.874 0 C-N-CA 123.532 2.822 . . . . 0.0 113.09 -177.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 121.48 -20.48 8.32 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.541 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 60.4 t -88.24 134.57 27.73 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.127 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -95.41 -29.97 8.48 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.644 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -150.13 145.69 26.47 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 122.389 -0.477 . . . . 0.0 110.823 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 73.7 m -130.28 133.83 46.78 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 123.162 0.585 . . . . 0.0 109.469 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 89.2 t80 -97.68 125.91 42.72 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -178.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 85.05 165.48 40.23 Favored Glycine 0 N--CA 1.429 -1.82 0 CA-C-N 115.344 -0.843 . . . . 0.0 113.18 172.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -67.61 -17.81 64.75 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.454 0.645 . . . . 0.0 109.87 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 6.4 m -71.8 -15.51 62.16 Favored 'General case' 0 CA--C 1.556 1.181 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.022 176.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 62.74 46.13 5.42 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 125.854 1.662 . . . . 0.0 111.672 175.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 65.6 mt -77.96 115.09 19.4 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 3.8 p -55.98 115.57 2.48 Favored 'General case' 0 C--N 1.314 -0.975 0 O-C-N 123.634 0.584 . . . . 0.0 111.587 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.685 HG23 ' HB3' ' A' 1606 ' ' TYR . 14.4 p -113.24 24.62 4.38 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.291 0 CA-C-O 122.249 1.023 . . . . 0.0 110.812 -175.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 154.27 148.18 4.88 Favored Glycine 0 C--O 1.242 0.626 0 C-N-CA 120.356 -0.926 . . . . 0.0 113.694 174.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' 1594 ' ' ASP . 47.7 mmtm -81.49 153.48 26.82 Favored 'General case' 0 CA--C 1.515 -0.402 0 C-N-CA 123.454 0.702 . . . . 0.0 109.704 176.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -69.56 108.97 4.04 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.571 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 13.4 m120 -122.88 155.08 37.38 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -130.95 27.85 4.86 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.13 0.49 . . . . 0.0 111.616 -175.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -95.51 115.76 27.88 Favored 'General case' 0 C--N 1.303 -1.425 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.562 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.572 HD22 ' HB3' ' A' 1588 ' ' LEU . 25.4 mt -94.33 132.26 39.11 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.603 0.716 . . . . 0.0 111.613 175.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -114.67 125.85 54.21 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 106.807 -1.553 . . . . 0.0 106.807 173.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . 0.542 ' CZ ' ' HA ' ' A' 1586 ' ' GLN . 42.3 t80 -102.8 100.28 10.28 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.197 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 16.3 m -123.76 113.36 36.83 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.169 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.881 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.1 t70 52.29 55.15 9.57 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.97 1.308 . . . . 0.0 111.609 179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . 0.542 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 83.6 mt-30 64.86 26.64 12.89 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 114.125 -1.398 . . . . 0.0 112.921 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 62.0 t -128.82 130.24 68.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 178.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.572 ' HB3' HD22 ' A' 1581 ' ' LEU . 74.0 mt -92.7 117.05 29.58 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 173.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -104.95 126.24 51.8 Favored 'General case' 0 C--N 1.289 -2.033 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -178.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 28.8 mt -114.79 123.74 49.98 Favored 'General case' 0 CA--C 1.496 -1.11 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 169.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . 0.471 ' HA ' ' O ' ' A' 1608 ' ' SER . 7.4 p -120.06 115.89 48.72 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.083 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.813 177.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -89.57 101.15 13.83 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 175.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -101.05 157.01 17.08 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.56 -174.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' A' 1576 ' ' LYS . 34.1 t70 70.62 75.73 0.2 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.007 1.323 . . . . 0.0 112.991 178.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -98.13 -136.66 9.32 Favored Glycine 0 N--CA 1.423 -2.178 0 N-CA-C 110.154 -1.179 . . . . 0.0 110.154 172.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . 0.449 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 49.5 m -78.55 145.89 68.42 Favored Pre-proline 0 C--N 1.295 -1.787 0 CA-C-O 120.582 0.229 . . . . 0.0 110.993 178.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' 1596 ' ' SER . 28.1 Cg_exo -64.59 130.6 26.97 Favored 'Trans proline' 0 C--O 1.25 1.085 0 C-N-CA 123.068 2.512 . . . . 0.0 110.7 175.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . 0.469 ' HA ' ' HD3' ' A' 1599 ' ' PRO . 63.8 m -71.33 124.48 91.04 Favored Pre-proline 0 C--N 1.302 -1.459 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.235 -176.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 18.4 Cg_exo -68.98 -36.57 12.63 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 122.942 2.428 . . . . 0.0 111.27 178.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 32.3 m -87.31 -13.7 42.91 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.317 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' 1598 ' ' CYS . 56.3 tptt -135.38 81.86 1.92 Allowed 'General case' 0 N--CA 1.438 -1.066 0 CA-C-O 121.798 0.809 . . . . 0.0 110.4 -175.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 9.5 m -65.18 111.37 2.92 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 114.539 -1.21 . . . . 0.0 109.336 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 127.02 -11.03 6.95 Favored Glycine 0 N--CA 1.435 -1.404 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.994 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 76.6 mt -127.52 158.35 37.66 Favored 'General case' 0 C--O 1.246 0.902 0 CA-C-O 121.319 0.58 . . . . 0.0 111.562 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 36.5 m -130.73 142.81 50.43 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 177.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.685 ' HB3' HG23 ' A' 1574 ' ' VAL . 99.1 m-85 -59.19 139.68 56.69 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 123.944 0.778 . . . . 0.0 113.01 -175.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -130.9 151.12 51.67 Favored 'General case' 0 C--O 1.247 0.967 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.915 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . 0.471 ' O ' ' HA ' ' A' 1591 ' ' VAL . 32.3 m -114.78 113.85 24.8 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 120.937 0.399 . . . . 0.0 110.727 176.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 65.6 t -102.86 107.45 22.05 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.497 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 178.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 56.9 mt -101.39 114.1 39.59 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 8.5 t -100.93 100.65 11.31 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.279 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.554 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 93.3 m-85 -88.74 99.7 12.56 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 41.5 t -88.88 132.7 33.04 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 -175.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . 0.505 ' HB3' ' HB3' ' A' 1586 ' ' GLN . 22.6 t -56.13 99.51 0.03 OUTLIER 'General case' 0 C--O 1.244 0.791 0 O-C-N 124.427 1.08 . . . . 0.0 109.54 174.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . 0.436 ' HD3' ' HA ' ' A' 1615 ' ' ARG . 36.1 mmt180 -127.45 98.51 28.9 Favored Pre-proline 0 N--CA 1.42 -1.946 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.341 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -70.11 -12.42 32.2 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.26 2.64 . . . . 0.0 110.62 176.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . 0.405 ' H ' ' HG2' ' A' 1617 ' ' GLU . 8.9 pt-20 -80.6 41.59 0.56 Allowed 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.833 1.653 . . . . 0.0 110.011 176.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -66.53 -179.42 0.83 Allowed 'General case' 0 C--O 1.242 0.68 0 C-N-CA 125.161 1.384 . . . . 0.0 112.851 -176.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 112.56 -118.1 4.53 Favored Glycine 0 N--CA 1.433 -1.523 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.16 -10.15 25.44 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.265 1.977 . . . . 0.0 111.433 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' 1641 ' ' HIS . 1.5 m -83.26 -16.32 46.82 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.843 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 60.2 t30 -79.52 64.49 4.42 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 122.052 0.929 . . . . 0.0 109.641 -176.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 64.7 mtp180 -133.69 144.39 51.76 Favored Pre-proline 0 C--N 1.31 -1.111 0 CA-C-N 115.146 -0.933 . . . . 0.0 109.705 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -75.9 127.68 10.25 Favored 'Trans proline' 0 C--O 1.247 0.932 0 C-N-CA 122.439 2.093 . . . . 0.0 108.977 170.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 50.3 ttm -134.45 131.17 37.8 Favored 'General case' 0 C--N 1.291 -1.939 0 C-N-CA 120.37 -0.532 . . . . 0.0 111.688 -178.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' 1637 ' ' PHE . 42.2 tp -70.7 117.99 12.92 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 173.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 46.9 mm -91.57 -41.22 13.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.558 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 -176.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.1 t -152.21 138.53 18.46 Favored 'General case' 0 N--CA 1.432 -1.348 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.293 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.25 104.93 15.11 Favored 'General case' 0 C--N 1.311 -1.076 0 N-CA-C 105.844 -1.91 . . . . 0.0 105.844 177.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -107.08 102.52 11.85 Favored 'General case' 0 C--N 1.307 -1.254 0 C-N-CA 119.747 -0.781 . . . . 0.0 109.595 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -84.22 -3.27 58.07 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.105 0.479 . . . . 0.0 110.814 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -86.45 -50.84 6.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.034 0.445 . . . . 0.0 110.252 -177.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 41.7 p -96.17 2.03 52.76 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.574 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 76.8 m 60.16 47.12 9.73 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 114.368 -1.287 . . . . 0.0 111.21 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 36.2 m -120.28 123.35 42.97 Favored 'General case' 0 N--CA 1.418 -2.063 0 CA-C-O 121.337 0.589 . . . . 0.0 111.122 -175.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.429 ' HB3' ' CE2' ' A' 1638 ' ' PHE . 4.1 mm? -96.35 116.8 29.62 Favored 'General case' 0 N--CA 1.424 -1.763 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 174.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . 0.437 ' O ' HD12 ' A' 1626 ' ' LEU . 93.9 m-85 -99.52 107.85 20.13 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.25 -0.887 . . . . 0.0 111.336 -176.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . 0.429 ' CE2' ' HB3' ' A' 1636 ' ' LEU . 88.1 m-85 -114.5 141.19 48.03 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 25.8 t -128.02 144.0 51.09 Favored 'General case' 0 C--N 1.284 -2.242 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 177.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -125.53 136.47 53.37 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 105.703 -1.962 . . . . 0.0 105.703 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . 0.468 ' HB2' ' O ' ' A' 1621 ' ' THR . 37.0 m-70 -104.95 103.49 13.06 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -178.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 6.9 t -139.67 143.99 37.36 Favored Pre-proline 0 C--N 1.313 -0.995 0 CA-C-O 121.398 0.618 . . . . 0.0 111.961 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.31 -1.1 11.27 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 123.242 2.628 . . . . 0.0 111.455 175.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 95.6 mt -75.95 -11.27 59.93 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.372 0.606 . . . . 0.0 110.397 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.88 8.84 43.48 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.683 0.754 . . . . 0.0 109.297 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 58.3 m -109.79 163.61 13.35 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -75.97 77.02 2.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.289 0.566 . . . . 0.0 110.216 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 47.0 tp -136.38 152.48 50.67 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.287 -2.137 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 52.0 ttm . . . . . 0 C--O 1.24 0.59 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 62.4 tttm 66.25 41.26 3.48 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 122.046 0.927 . . . . 0.0 109.326 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 24.0 p -80.46 -26.79 38.1 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.46 -0.791 . . . . 0.0 112.884 -177.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 9.5 t30 -73.85 -48.02 34.12 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-O 121.812 0.815 . . . . 0.0 109.859 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.95 64.55 1.43 Allowed 'General case' 0 C--N 1.29 -2.021 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.085 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -72.44 134.65 45.48 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.483 179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . 0.441 ' HA ' ' HD2' ' A' 1579 ' ' LYS . 7.2 m-20 -76.74 102.19 6.13 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.858 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -90.07 -57.33 2.89 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 174.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 4.8 t 50.84 47.68 24.22 Favored 'General case' 0 C--O 1.255 1.391 0 C-N-CA 124.253 1.021 . . . . 0.0 111.221 174.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 29.3 pt20 -150.98 142.22 23.24 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.567 -178.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 58.2 t -116.78 137.33 50.98 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 18.6 m -134.35 118.57 17.62 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 174.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 15.2 m120 -84.15 111.46 33.63 Favored Pre-proline 0 C--N 1.3 -1.573 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -59.15 -25.84 79.54 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.224 2.616 . . . . 0.0 112.264 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 4.8 p -65.17 -60.93 2.47 Favored 'General case' 0 N--CA 1.424 -1.766 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.473 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 23.2 p -87.58 -42.14 12.93 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 107.39 -4.78 35.23 Favored Glycine 0 N--CA 1.435 -1.37 0 CA-C-N 116.099 -0.501 . . . . 0.0 112.157 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . 0.271 4.6 p-80 -81.0 143.32 32.61 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -176.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 44.5 tp -107.6 136.01 48.08 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 124.965 1.306 . . . . 0.0 111.162 -174.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -115.12 128.79 56.43 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 174.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 8.0 t70 -135.67 136.2 40.73 Favored 'General case' 0 C--N 1.296 -1.721 0 N-CA-C 110.56 -0.163 . . . . 0.0 110.56 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 85.9 mt -117.76 23.09 11.93 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 177.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . 0.469 ' HA ' ' OG ' ' A' 1533 ' ' SER . 29.5 t -63.96 -23.92 67.52 Favored 'General case' 0 C--O 1.248 1.025 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -175.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 36.6 p -77.07 -20.85 55.29 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 120.795 0.331 . . . . 0.0 111.285 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 87.9 mt -105.94 -18.46 14.04 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.742 0.306 . . . . 0.0 111.174 -177.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . 0.469 ' OG ' ' HA ' ' A' 1530 ' ' SER . 50.7 p -75.95 119.12 19.48 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.374 -178.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -149.33 154.7 25.92 Favored Glycine 0 N--CA 1.427 -1.907 0 N-CA-C 109.2 -1.56 . . . . 0.0 109.2 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . 0.573 ' O ' ' HA ' ' A' 1556 ' ' ASN . 27.1 mmt180 -74.34 -25.72 59.7 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 117.35 0.575 . . . . 0.0 110.114 -175.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -82.82 -34.53 26.9 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.29 0.567 . . . . 0.0 109.986 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . 0.457 ' HA3' ' HA ' ' A' 1551 ' ' SER . . . 69.97 -114.15 5.39 Favored Glycine 0 N--CA 1.436 -1.301 0 CA-C-N 115.157 -0.928 . . . . 0.0 112.934 175.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 55.2 t80 -148.12 138.49 22.81 Favored 'General case' 0 N--CA 1.427 -1.624 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 55.4 m -107.47 116.58 32.19 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -112.76 108.8 17.94 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.865 -178.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -93.19 104.59 16.77 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . 0.458 ' CZ ' ' HB2' ' A' 1626 ' ' LEU . 97.6 m-85 -88.5 140.88 29.01 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -75.12 50.01 0.47 Allowed 'General case' 0 C--N 1.316 -0.872 0 O-C-N 123.902 0.751 . . . . 0.0 112.103 -176.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 22.4 tptm -144.21 22.47 1.7 Allowed 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.319 -1.363 . . . . 0.0 107.319 177.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 71.94 34.08 62.28 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 114.542 -1.208 . . . . 0.0 112.414 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . 0.402 ' HB2' ' HB2' ' A' 1542 ' ' TYR . 35.2 m0 -121.06 98.76 6.14 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.967 0.384 . . . . 0.0 111.095 -178.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -93.42 92.71 1.64 Allowed Glycine 0 N--CA 1.436 -1.319 0 N-CA-C 108.87 -1.692 . . . . 0.0 108.87 174.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 57.7 t -86.64 121.74 37.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 CA-C-O 121.031 0.443 . . . . 0.0 110.423 -176.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -104.49 104.7 14.6 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 177.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 17.0 ptm -127.18 137.4 52.93 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.296 -172.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . 0.457 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 30.9 t -94.38 150.8 19.93 Favored 'General case' 0 N--CA 1.429 -1.51 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 177.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 1.9 mp -105.45 104.53 17.11 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.607 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 176.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 35.7 t 67.71 67.02 0.37 Allowed 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 124.395 1.059 . . . . 0.0 110.074 175.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 151.65 -149.07 20.75 Favored Glycine 0 N--CA 1.424 -2.112 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.738 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' 1555 ' ' GLU . 0.3 OUTLIER -107.19 151.95 24.73 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 125.197 1.399 . . . . 0.0 110.446 -176.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.573 ' HA ' ' O ' ' A' 1535 ' ' ARG . 3.2 t-20 -100.81 113.2 25.91 Favored 'General case' 0 C--N 1.311 -1.087 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -66.56 -11.0 50.95 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.64 0.607 . . . . 0.0 112.64 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 17.5 m120 -82.94 1.77 37.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.766 0.793 . . . . 0.0 109.382 177.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 78.9 m -135.21 177.28 2.31 Favored Pre-proline 0 C--N 1.297 -1.677 0 N-CA-C 106.298 -1.741 . . . . 0.0 106.298 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -56.53 128.52 30.41 Favored 'Trans proline' 0 C--N 1.359 1.099 0 C-N-CA 121.444 1.43 . . . . 0.0 110.404 173.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -59.89 99.79 0.13 Allowed 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 122.759 2.306 . . . . 0.0 110.627 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 152.68 -25.8 0.84 Allowed Glycine 0 N--CA 1.425 -2.048 0 N-CA-C 109.088 -1.605 . . . . 0.0 109.088 -176.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 54.8 t -88.26 137.58 20.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 N-CA-C 107.296 -1.372 . . . . 0.0 107.296 174.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -101.02 -23.95 9.41 Favored Glycine 0 C--N 1.312 -0.782 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.73 -176.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -151.79 137.57 17.98 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-O 120.962 0.411 . . . . 0.0 110.528 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . 0.414 ' HB3' ' HA ' ' A' 1571 ' ' ARG . 71.9 m -123.77 133.37 53.85 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.837 178.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 87.7 t80 -97.87 116.85 30.91 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.372 -177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 80.81 173.29 46.99 Favored Glycine 0 N--CA 1.437 -1.291 0 CA-C-N 115.444 -0.798 . . . . 0.0 112.641 175.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -72.63 -13.52 61.39 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.342 0.591 . . . . 0.0 109.857 177.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 18.8 m -72.07 -16.74 62.03 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 121.929 0.871 . . . . 0.0 109.535 174.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . 0.414 ' HA ' ' HB3' ' A' 1566 ' ' CYS . 99.4 mtt180 60.5 40.93 16.42 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 125.208 1.403 . . . . 0.0 112.786 176.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 65.4 mt -72.4 129.97 35.58 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.983 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 5.7 p -61.56 110.8 1.58 Allowed 'General case' 0 N--CA 1.434 -1.231 0 CA-C-O 121.517 0.675 . . . . 0.0 111.518 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.699 HG23 ' HB3' ' A' 1606 ' ' TYR . 11.0 p -113.19 17.18 7.93 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-O 122.537 1.161 . . . . 0.0 108.937 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 167.58 136.1 1.98 Allowed Glycine 0 N--CA 1.426 -1.971 0 CA-C-N 114.492 -1.231 . . . . 0.0 112.704 177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 27.3 tptp -86.34 149.16 25.23 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 177.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -56.68 120.82 8.45 Favored 'General case' 0 C--O 1.24 0.571 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -176.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 31.9 t30 -138.23 136.97 37.08 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 -179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . 0.441 ' HD2' ' HA ' ' A' 1514 ' ' ASP . 20.1 pttm -130.71 15.06 5.38 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 121.728 0.775 . . . . 0.0 109.899 -177.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -90.57 107.99 19.52 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.268 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 41.3 mt -79.78 137.91 37.12 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.993 176.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -122.19 113.23 19.19 Favored 'General case' 0 C--N 1.295 -1.794 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 176.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 88.3 t80 -85.5 100.2 11.74 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 28.2 m -135.64 141.11 43.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.351 -177.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 20.9 t70 57.46 37.52 27.84 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 122.244 1.021 . . . . 0.0 110.871 179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 64.94 16.8 10.75 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 114.52 -1.218 . . . . 0.0 113.105 179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 33.2 m -134.12 163.77 36.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . . . . . . . . . 91.7 mt -96.28 117.23 30.38 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 178.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -100.71 124.57 46.5 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.936 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 21.6 mt -114.72 123.04 48.26 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 169.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.7 p -128.43 123.8 60.61 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.273 0 CA-C-O 121.274 0.559 . . . . 0.0 109.973 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' 1607 ' ' LYS . 78.6 m-85 -102.86 102.93 13.06 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 56.0 mtpt -98.24 -174.84 2.95 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 60.77 54.94 3.41 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 121.664 0.745 . . . . 0.0 112.522 176.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -98.45 -148.02 22.96 Favored Glycine 0 N--CA 1.427 -1.916 0 N-CA-C 109.198 -1.561 . . . . 0.0 109.198 176.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 37.9 t -73.09 134.76 80.46 Favored Pre-proline 0 C--N 1.297 -1.676 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 174.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.95 118.02 5.23 Favored 'Trans proline' 0 C--O 1.242 0.696 0 C-N-CA 122.685 2.257 . . . . 0.0 111.444 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 81.8 m -76.74 136.99 66.69 Favored Pre-proline 0 C--N 1.307 -1.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.511 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.68 1.09 5.39 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.093 2.529 . . . . 0.0 112.918 -178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 7.3 p -70.2 -22.24 62.95 Favored 'General case' 0 N--CA 1.433 -1.289 0 C-N-CA 122.917 0.487 . . . . 0.0 110.492 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 72.88 -44.31 0.59 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.277 1.431 . . . . 0.0 113.594 175.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 9.7 m -79.13 102.57 8.53 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 175.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 79.47 48.71 6.6 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 119.943 -1.122 . . . . 0.0 110.354 -175.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.15 87.09 2.42 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -175.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 38.1 t 174.59 134.15 0.04 OUTLIER 'General case' 0 CA--C 1.494 -1.197 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.462 175.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.699 ' HB3' HG23 ' A' 1574 ' ' VAL . 66.0 m-85 -69.06 137.54 53.65 Favored 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 107.235 -1.395 . . . . 0.0 107.235 167.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' 1592 ' ' TYR . 16.1 ptpt -149.36 134.75 18.39 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.493 0.663 . . . . 0.0 111.403 -177.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 20.3 m -108.98 126.38 53.05 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.136 -178.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 63.1 t -112.89 113.85 45.28 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.047 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . 0.402 ' HA ' ' O ' ' A' 1638 ' ' PHE . 53.7 mt -107.69 123.64 63.2 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 178.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 19.8 m -116.47 115.61 26.13 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-O 121.211 0.529 . . . . 0.0 110.37 178.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -85.77 113.87 22.28 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 65.7 t -104.44 140.18 23.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.621 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 -178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 28.7 t -63.88 126.47 27.75 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.736 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -150.16 102.54 3.16 Favored Pre-proline 0 N--CA 1.424 -1.754 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 171.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . 0.403 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 65.3 Cg_exo -54.47 -21.88 25.53 Favored 'Trans proline' 0 N--CA 1.486 1.057 0 C-N-CA 124.046 3.164 . . . . 0.0 114.533 -176.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -101.6 2.71 39.2 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 122.14 -0.35 . . . . 0.0 111.551 -179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . 60.52 -160.2 0.3 Allowed 'General case' 0 C--O 1.236 0.371 0 C-N-CA 123.887 0.875 . . . . 0.0 110.134 -176.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -104.6 175.67 22.68 Favored Glycine 0 N--CA 1.43 -1.719 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 176.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -70.19 -34.83 12.44 Favored 'Trans proline' 0 CA--C 1.543 0.944 0 CA-C-N 119.662 1.731 . . . . 0.0 111.444 174.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 3.2 p -110.89 -23.35 11.04 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 5.9 m-20 60.24 76.1 0.38 Allowed 'General case' 0 CA--C 1.511 -0.536 0 C-N-CA 124.106 0.962 . . . . 0.0 110.734 -175.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -151.34 158.68 34.34 Favored Pre-proline 0 C--N 1.302 -1.499 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.641 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.41 ' HD3' ' CZ3' ' A' 1640 ' ' TRP . 80.6 Cg_endo -80.47 141.23 13.94 Favored 'Trans proline' 0 N--CA 1.445 -1.339 0 C-N-CA 121.972 1.781 . . . . 0.0 110.281 174.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . 0.47 ' O ' ' HA ' ' A' 1638 ' ' PHE . 20.3 ptp -116.62 148.48 40.91 Favored 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . 0.458 ' HB2' ' CZ ' ' A' 1542 ' ' TYR . 1.7 tt -94.34 108.4 20.31 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 107.551 -1.278 . . . . 0.0 107.551 -175.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.3 mm -86.94 -48.17 15.64 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.912 -175.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 23.0 t -141.03 145.0 35.31 Favored 'General case' 0 C--N 1.309 -1.172 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -177.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.431 HD22 ' HG ' ' A' 1636 ' ' LEU . 0.4 OUTLIER -119.35 105.71 11.57 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -177.854 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 27.0 t70 -101.92 113.13 26.07 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.897 178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -84.56 -2.63 57.67 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.368 -179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -84.68 -53.25 5.5 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.215 0.531 . . . . 0.0 109.752 -175.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 23.6 p -105.69 12.07 31.46 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.893 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 65.5 m 53.01 41.33 32.16 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.645 177.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 30.1 m -106.25 120.46 41.9 Favored 'General case' 0 N--CA 1.424 -1.774 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.434 -176.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.431 ' HG ' HD22 ' A' 1629 ' ' LEU . 5.6 mp -103.09 127.82 50.21 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 176.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -99.37 116.78 32.33 Favored 'General case' 0 C--N 1.308 -1.202 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.876 -177.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . 0.47 ' HA ' ' O ' ' A' 1625 ' ' MET . 91.8 m-85 -118.56 137.28 53.34 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 54.9 p -123.97 139.48 53.92 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . 0.41 ' CZ3' ' HD3' ' A' 1624 ' ' PRO . 2.0 t90 -124.21 132.05 53.58 Favored 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 177.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 61.5 m80 -99.15 107.86 20.32 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 178.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.8 t -140.15 145.14 40.54 Favored Pre-proline 0 C--N 1.306 -1.321 0 CA-C-O 121.264 0.554 . . . . 0.0 110.789 -175.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.677 ' HA ' ' SG ' ' A' 1646 ' ' CYS . 74.8 Cg_endo -77.33 -4.92 15.23 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.169 2.579 . . . . 0.0 110.977 175.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 92.5 mt -82.78 -3.32 56.46 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.391 0.615 . . . . 0.0 110.276 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -109.04 14.34 24.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.922 0.868 . . . . 0.0 108.836 175.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . 0.677 ' SG ' ' HA ' ' A' 1643 ' ' PRO . 70.9 m -98.27 149.39 22.65 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.37 -178.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -70.54 75.79 0.57 Allowed 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 124.588 1.155 . . . . 0.0 110.05 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 58.7 tp -130.42 125.58 34.86 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.584 -177.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.66 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 176.67 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 53.6 tpp . . . . . 0 C--O 1.238 0.499 0 CA-C-O 120.752 0.31 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 21.4 pttp -127.55 46.56 2.52 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -175.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 15.4 m 61.25 29.06 18.5 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 174.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 7.3 t30 -79.54 -38.86 33.25 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . 0.486 ' OE1' ' HD2' ' A' 1535 ' ' ARG . 32.2 mm-40 -91.21 156.32 17.93 Favored 'General case' 0 N--CA 1.434 -1.251 0 CA-C-N 114.262 -1.335 . . . . 0.0 109.679 -178.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 80.1 m80 -119.34 88.78 3.0 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -136.59 111.62 8.94 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-O 122.086 0.946 . . . . 0.0 109.795 177.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -70.86 -64.95 0.8 Allowed 'General case' 0 CA--C 1.488 -1.415 0 CA-C-N 114.282 -1.326 . . . . 0.0 108.506 175.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' 1529 ' ' LEU . 5.7 t 56.63 40.47 29.31 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-O 122.631 1.205 . . . . 0.0 108.971 176.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' 1527 ' ' PHE . 12.8 pt20 -158.49 162.0 37.44 Favored 'General case' 0 N--CA 1.423 -1.794 0 CA-C-N 114.006 -1.452 . . . . 0.0 107.638 -175.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 14.8 p -159.67 140.49 4.06 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.694 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 173.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 5.8 m -106.16 133.39 50.94 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-O 120.656 0.265 . . . . 0.0 110.454 -177.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 15.3 m120 -92.39 110.76 46.88 Favored Pre-proline 0 C--N 1.311 -1.066 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.18 -15.25 45.79 Favored 'Trans proline' 0 C--O 1.241 0.673 0 C-N-CA 122.672 2.248 . . . . 0.0 113.967 -174.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 7.6 p -79.8 -64.41 1.19 Allowed 'General case' 0 N--CA 1.433 -1.276 0 C-N-CA 123.105 0.562 . . . . 0.0 111.619 -178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 29.0 p -82.61 -16.71 47.4 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.078 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 79.44 11.96 84.3 Favored Glycine 0 N--CA 1.439 -1.145 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 32.6 m170 -89.44 143.91 26.46 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.481 -0.36 . . . . 0.0 110.036 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.8 tt -120.83 129.05 53.39 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 106.909 -1.515 . . . . 0.0 106.909 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' 1517 ' ' GLN . 70.3 m-85 -95.47 122.86 38.64 Favored 'General case' 0 C--N 1.297 -1.709 0 CA-C-O 120.631 0.253 . . . . 0.0 110.425 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -112.09 122.38 47.59 Favored 'General case' 0 CA--C 1.484 -1.582 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.16 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . 0.471 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 97.6 mt -111.04 20.69 17.21 Favored 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 172.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 3.0 p -60.35 -36.19 77.42 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 123.979 0.912 . . . . 0.0 113.022 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 19.4 m -71.56 -16.83 62.32 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 121.374 0.606 . . . . 0.0 110.82 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 78.1 mt -102.18 -18.08 15.69 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.145 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 43.7 t -64.83 143.88 57.64 Favored 'General case' 0 C--O 1.255 1.386 0 CA-C-O 121.127 0.489 . . . . 0.0 110.515 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . 172.88 147.94 6.07 Favored Glycine 0 N--CA 1.423 -2.185 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . 0.521 ' O ' ' HA ' ' A' 1556 ' ' ASN . 72.4 mtp180 -82.04 -30.19 31.57 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 120.939 0.4 . . . . 0.0 110.762 -179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -75.8 -30.34 59.02 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 176.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 56.84 -108.8 1.35 Allowed Glycine 0 CA--C 1.493 -1.332 0 CA-C-N 114.079 -1.419 . . . . 0.0 113.73 173.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 52.2 t80 -160.39 157.97 28.73 Favored 'General case' 0 N--CA 1.428 -1.552 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 62.9 m -130.81 115.37 16.52 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.019 0.438 . . . . 0.0 109.917 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -117.22 128.43 55.08 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.351 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -90.88 125.9 35.88 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.164 0.507 . . . . 0.0 111.222 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 84.1 m-85 -126.18 171.49 10.84 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.24 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -63.62 139.51 58.78 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 175.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 11.7 mptt 72.99 -38.86 0.43 Allowed 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 125.327 1.451 . . . . 0.0 112.247 -177.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -117.06 82.19 0.32 Allowed Glycine 0 N--CA 1.431 -1.697 0 N-CA-C 109.971 -1.252 . . . . 0.0 109.971 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 19.7 m-90 -77.53 54.6 1.19 Allowed 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 121.426 0.631 . . . . 0.0 111.435 -176.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . 146.56 90.79 0.1 OUTLIER Glycine 0 N--CA 1.416 -2.697 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 178.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 51.5 t -94.76 107.66 19.73 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.165 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -88.99 104.0 16.57 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 -179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . 0.43 ' O ' ' HA3' ' A' 1537 ' ' GLY . 22.3 ptm -116.72 127.87 54.79 Favored 'General case' 0 C--N 1.282 -2.34 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.914 -173.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . 0.494 ' OG ' ' HA ' ' A' 1535 ' ' ARG . 42.3 t -96.32 142.81 28.01 Favored 'General case' 0 N--CA 1.417 -2.087 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 174.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 64.9 mt -102.37 107.39 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.341 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 60.1 m 72.94 16.85 4.35 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.084 1.354 . . . . 0.0 113.631 177.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . -154.6 -163.32 11.88 Favored Glycine 0 CA--C 1.497 -1.049 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -178.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . 0.614 ' OE1' ' HA ' ' A' 1561 ' ' PRO . 9.3 pt-20 -106.92 134.13 50.53 Favored 'General case' 0 C--O 1.249 1.033 0 CA-C-O 121.172 0.511 . . . . 0.0 111.074 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.521 ' HA ' ' O ' ' A' 1535 ' ' ARG . 26.1 t-20 -72.2 136.63 46.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.055 -174.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -67.91 -16.24 63.98 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.137 0.975 . . . . 0.0 113.371 -175.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 16.2 m120 -107.93 23.64 14.17 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 83.9 m -134.14 152.71 78.82 Favored Pre-proline 0 C--N 1.3 -1.58 0 CA-C-N 114.799 -1.091 . . . . 0.0 109.756 -178.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.01 149.01 21.98 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 123.472 2.781 . . . . 0.0 111.647 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . 0.614 ' HA ' ' OE1' ' A' 1555 ' ' GLU . 16.5 Cg_endo -56.4 110.17 0.54 Allowed 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.437 2.758 . . . . 0.0 112.599 -178.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 112.88 -8.59 25.55 Favored Glycine 0 N--CA 1.436 -1.334 0 CA-C-N 115.524 -0.762 . . . . 0.0 112.943 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 89.8 t -88.64 124.72 41.7 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 117.206 0.503 . . . . 0.0 110.376 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -84.75 -31.91 22.86 Favored Glycine 0 N--CA 1.443 -0.839 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.803 -175.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -151.89 142.67 22.89 Favored 'General case' 0 C--N 1.31 -1.123 0 O-C-N 122.508 -0.407 . . . . 0.0 111.06 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . 0.411 ' HB3' ' HA ' ' A' 1571 ' ' ARG . 74.2 m -122.16 135.84 54.83 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.228 178.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 84.5 t80 -98.71 114.66 27.27 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.744 -179.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 86.03 173.56 49.36 Favored Glycine 0 N--CA 1.443 -0.886 0 CA-C-N 115.712 -0.676 . . . . 0.0 113.181 174.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -71.52 -16.86 62.35 Favored 'General case' 0 C--O 1.236 0.388 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 4.6 m -67.89 -21.15 65.16 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.152 177.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . 0.411 ' HA ' ' HB3' ' A' 1566 ' ' CYS . 98.1 mtt180 66.67 34.16 5.95 Favored 'General case' 0 CA--C 1.501 -0.919 0 C-N-CA 125.165 1.386 . . . . 0.0 113.036 176.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 78.9 mt -66.18 118.13 8.52 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.953 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 12.1 p -61.98 111.01 1.74 Allowed 'General case' 0 N--CA 1.432 -1.335 0 CA-C-O 121.451 0.644 . . . . 0.0 111.785 -178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.589 HG23 ' HB3' ' A' 1606 ' ' TYR . 11.6 p -101.35 20.39 2.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 CA-C-O 122.291 1.043 . . . . 0.0 109.607 -178.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . 0.401 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 152.91 149.53 5.17 Favored Glycine 0 N--CA 1.429 -1.816 0 C-N-CA 120.054 -1.07 . . . . 0.0 114.12 175.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 48.6 tptt -77.71 150.76 34.42 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -70.83 112.63 7.17 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 122.938 0.495 . . . . 0.0 110.807 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -121.06 156.52 32.04 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.108 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 22.5 pttp -133.7 7.54 3.81 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-O 121.29 0.566 . . . . 0.0 109.696 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -80.64 93.19 6.09 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.616 -1.174 . . . . 0.0 109.734 -179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' 1588 ' ' LEU . 46.8 tp -84.41 125.04 31.97 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.797 -178.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -107.86 141.78 38.93 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.896 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 40.6 p90 -107.42 104.41 13.98 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 174.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 15.6 m -127.49 106.18 14.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 121.918 -0.489 . . . . 0.0 112.141 -176.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 37.5 t70 58.27 52.15 7.69 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 122.397 1.094 . . . . 0.0 111.12 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 15.3 mp0 67.75 5.87 4.71 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 176.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 7.2 p -116.94 128.98 74.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.515 ' HB3' HD11 ' A' 1581 ' ' LEU . 90.0 mt -82.88 132.14 35.17 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -129.4 131.43 46.8 Favored 'General case' 0 C--N 1.291 -1.968 0 C-N-CA 119.846 -0.742 . . . . 0.0 112.202 -174.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 68.7 mt -116.1 124.9 51.54 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 173.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.1 p -120.05 115.92 48.81 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.041 0 CA-C-O 122.047 0.927 . . . . 0.0 111.263 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . 0.401 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 33.7 m-85 -99.69 102.1 13.48 Favored 'General case' 0 N--CA 1.418 -2.046 0 N-CA-C 107.699 -1.223 . . . . 0.0 107.699 176.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . 0.423 ' HG3' ' OD2' ' A' 1594 ' ' ASP . 21.0 pttp -117.13 -172.17 2.17 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 176.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . 0.423 ' OD2' ' HG3' ' A' 1593 ' ' LYS . 15.4 m-20 66.85 59.62 0.56 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 122.14 0.971 . . . . 0.0 109.64 -178.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -126.77 -142.45 5.63 Favored Glycine 0 N--CA 1.427 -1.91 0 CA-C-N 114.62 -1.173 . . . . 0.0 110.297 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . 0.547 ' O ' ' HA ' ' A' 1605 ' ' SER . 23.0 t -60.2 126.33 83.75 Favored Pre-proline 0 C--N 1.31 -1.123 0 C-N-CA 123.291 0.636 . . . . 0.0 109.828 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -72.48 163.19 39.3 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 122.869 2.379 . . . . 0.0 112.496 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . 0.445 ' H ' ' HB2' ' A' 1604 ' ' LEU . 59.0 m -134.61 144.35 50.44 Favored Pre-proline 0 C--N 1.303 -1.442 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 -177.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.34 3.38 3.6 Favored 'Trans proline' 0 CA--C 1.538 0.691 0 C-N-CA 123.422 2.748 . . . . 0.0 113.153 -178.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 9.2 p -66.9 -26.92 67.1 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 123.667 0.787 . . . . 0.0 110.707 177.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 69.3 -69.6 0.16 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.249 1.42 . . . . 0.0 111.861 178.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 20.7 p -86.82 92.7 9.07 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 177.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . 0.505 ' O ' ' HA ' ' A' 1633 ' ' THR . . . 105.67 48.74 1.01 Allowed Glycine 0 N--CA 1.425 -2.033 0 N-CA-C 109.659 -1.376 . . . . 0.0 109.659 -174.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . 0.445 ' HB2' ' H ' ' A' 1598 ' ' CYS . 1.6 pp -99.72 177.01 5.26 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 122.676 -0.308 . . . . 0.0 111.141 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . 0.547 ' HA ' ' O ' ' A' 1596 ' ' SER . 45.4 t 80.52 124.86 0.04 OUTLIER 'General case' 0 CA--C 1.495 -1.168 0 C-N-CA 124.856 1.262 . . . . 0.0 111.82 177.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.589 ' HB3' HG23 ' A' 1574 ' ' VAL . 53.5 m-85 -62.93 130.98 47.14 Favored 'General case' 0 N--CA 1.421 -1.896 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.865 171.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -131.48 139.06 49.25 Favored 'General case' 0 C--N 1.299 -1.613 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.96 -176.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 23.1 t -115.24 113.94 24.56 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 48.1 t -107.09 102.9 14.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.064 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 60.2 mt -97.67 121.15 47.89 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 19.2 m -115.19 119.32 35.97 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.107 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.4 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 89.5 m-85 -94.65 99.9 11.94 Favored 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 -179.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 39.9 t -84.75 132.64 31.16 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 CA-C-N 115.423 -0.808 . . . . 0.0 108.876 -176.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 44.7 t -61.41 121.97 13.98 Favored 'General case' 0 C--N 1.302 -1.46 0 CA-C-N 114.262 -1.336 . . . . 0.0 110.62 -178.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -135.87 86.62 26.65 Favored Pre-proline 0 C--N 1.308 -1.237 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 176.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -61.65 -21.42 72.03 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.398 2.732 . . . . 0.0 113.681 -174.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -92.17 2.7 56.43 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.661 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . 64.83 -169.64 0.2 Allowed 'General case' 0 C--O 1.242 0.681 0 C-N-CA 123.888 0.875 . . . . 0.0 110.766 -179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -146.34 138.33 7.38 Favored Glycine 0 N--CA 1.428 -1.897 0 C-N-CA 120.334 -0.936 . . . . 0.0 111.02 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -65.33 -24.79 57.31 Favored 'Trans proline' 0 C--O 1.24 0.577 0 C-N-CA 122.965 2.443 . . . . 0.0 112.968 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 4.5 m -99.24 -39.65 8.34 Favored 'General case' 0 N--CA 1.433 -1.311 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 46.9 t-20 47.13 80.34 0.05 Allowed 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 124.177 0.991 . . . . 0.0 109.844 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -146.48 157.31 48.69 Favored Pre-proline 0 C--N 1.318 -0.8 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.102 -169.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -80.66 146.98 17.17 Favored 'Trans proline' 0 N--CA 1.449 -1.144 0 C-N-CA 122.241 1.961 . . . . 0.0 109.238 169.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 23.4 ptp -138.65 146.9 42.23 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.9 tt -88.32 118.69 28.11 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.2 mm -100.1 -48.97 11.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 C-N-CA 120.894 -0.322 . . . . 0.0 111.592 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 28.7 t -136.43 141.94 43.62 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.44 HD11 ' HE2' ' A' 1631 ' ' LYS . 2.0 tm? -128.81 122.0 29.52 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.734 -177.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -117.99 107.46 14.07 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . 0.44 ' HE2' HD11 ' A' 1629 ' ' LEU . 72.9 mmtt -66.52 -32.93 74.58 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.093 0.557 . . . . 0.0 110.976 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -68.31 -55.6 11.54 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.1 -0.955 . . . . 0.0 112.196 -173.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . 0.505 ' HA ' ' O ' ' A' 1603 ' ' GLY . 27.5 p -90.93 3.68 53.95 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-O 121.009 0.433 . . . . 0.0 111.193 -178.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.487 ' O ' ' HA ' ' A' 1606 ' ' TYR . 62.1 m 57.71 32.71 22.27 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.069 0.948 . . . . 0.0 111.193 178.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 26.7 m -105.64 128.8 53.85 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.795 -175.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.422 ' HG ' HD23 ' A' 1629 ' ' LEU . 5.6 mp -111.71 131.11 55.53 Favored 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 108.993 -0.744 . . . . 0.0 108.993 177.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -105.96 116.26 31.64 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.29 -178.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -113.64 140.67 48.02 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.969 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 23.5 t -121.34 134.64 55.14 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 108.373 -0.973 . . . . 0.0 108.373 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -122.13 130.81 53.57 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 105.455 -2.054 . . . . 0.0 105.455 176.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -106.67 108.0 19.29 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 7.5 t -138.85 146.9 52.05 Favored Pre-proline 0 C--N 1.317 -0.833 0 CA-C-O 121.037 0.446 . . . . 0.0 110.395 -174.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -74.59 -12.29 22.41 Favored 'Trans proline' 0 C--N 1.362 1.263 0 C-N-CA 123.155 2.57 . . . . 0.0 111.489 176.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 97.4 mt -76.69 -9.46 58.69 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.446 0.641 . . . . 0.0 110.494 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.52 12.9 29.87 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.939 178.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 53.4 m -121.2 135.24 55.18 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -81.66 97.02 7.7 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 173.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 91.8 mt -93.85 133.27 37.43 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.732 -1.122 . . . . 0.0 110.475 -173.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.693 0 CA-C-O 118.585 -0.721 . . . . 0.0 109.486 179.323 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 23.9 mmt . . . . . 0 CA--C 1.498 -1.034 0 N-CA-C 108.366 -0.976 . . . . 0.0 108.366 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 65.3 tttp -80.08 88.28 5.41 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.76 0.79 . . . . 0.0 110.81 -178.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 44.8 m -149.51 52.95 0.94 Allowed 'General case' 0 C--N 1.301 -1.537 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 177.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -85.11 -1.62 57.08 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.635 -176.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -78.54 66.04 3.97 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.607 0.718 . . . . 0.0 110.941 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 34.2 m80 -100.33 108.6 20.68 Favored 'General case' 0 CA--C 1.485 -1.536 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.805 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . 0.571 ' HB3' ' HA ' ' A' 1580 ' ' ARG . 4.2 m-20 62.4 86.19 0.12 Allowed 'General case' 0 C--N 1.319 -0.737 0 O-C-N 124.447 1.092 . . . . 0.0 112.026 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -110.17 53.51 0.69 Allowed 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 176.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' 1528 ' ' ASP . 98.6 m 58.83 46.55 13.83 Favored 'General case' 0 CA--C 1.505 -0.774 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.156 -177.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.709 ' HA ' ' O ' ' A' 1527 ' ' PHE . 25.8 pt20 -139.52 128.26 23.28 Favored 'General case' 0 N--CA 1.417 -2.116 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.718 174.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 58.2 t -131.36 121.08 47.83 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . 0.46 ' O ' ' HD3' ' A' 1521 ' ' PRO . 18.5 m -94.02 116.24 28.65 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 107.664 -1.236 . . . . 0.0 107.664 175.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -93.82 105.47 16.96 Favored Pre-proline 0 C--N 1.302 -1.484 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 175.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' 1519 ' ' THR . 33.5 Cg_exo -61.73 -24.74 77.96 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.287 2.658 . . . . 0.0 113.891 -176.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 12.6 m -70.55 -28.23 64.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.971 0.415 . . . . 0.0 111.193 -178.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . 0.494 ' HB ' ' HB2' ' A' 1649 ' ' ALA . 7.6 p -113.85 -26.62 8.09 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 81.9 15.9 73.97 Favored Glycine 0 CA--C 1.502 -0.755 0 N-CA-C 110.41 -1.076 . . . . 0.0 110.41 -177.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 24.3 t60 -96.7 118.92 34.2 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 114.946 -0.627 . . . . 0.0 109.627 -176.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . 0.457 HD11 ' HB2' ' A' 1517 ' ' GLN . 61.0 tp -86.64 110.26 19.73 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.094 176.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.709 ' O ' ' HA ' ' A' 1517 ' ' GLN . 98.0 m-85 -78.66 119.57 22.09 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 178.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . 0.438 ' HA ' ' O ' ' A' 1516 ' ' CYS . 1.1 p-10 -131.78 149.51 52.45 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.524 -1.287 . . . . 0.0 107.524 173.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 96.1 mt -117.42 28.16 8.64 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-O 120.913 0.387 . . . . 0.0 110.463 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 2.5 m -65.2 -33.56 76.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -175.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 27.4 t -70.09 -17.64 63.23 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.458 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 86.5 mt -112.18 7.57 19.57 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.571 0.701 . . . . 0.0 109.399 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 23.0 t -96.37 119.27 34.55 Favored 'General case' 0 N--CA 1.425 -1.713 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 -179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -130.93 139.99 11.4 Favored Glycine 0 C--N 1.297 -1.602 0 N-CA-C 110.504 -1.039 . . . . 0.0 110.504 -178.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -71.46 -29.08 64.44 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -176.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . 0.438 ' HA ' ' HG2' ' A' 1557 ' ' GLU . . . -87.99 -33.73 18.3 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.505 0.669 . . . . 0.0 110.169 177.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 85.74 -164.78 37.85 Favored Glycine 0 N--CA 1.432 -1.584 0 CA-C-N 115.113 -0.948 . . . . 0.0 111.872 177.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -121.05 129.8 53.5 Favored 'General case' 0 C--N 1.292 -1.918 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 37.8 m -96.42 109.71 22.21 Favored 'General case' 0 C--N 1.295 -1.796 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 173.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -98.16 106.62 18.94 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.074 -178.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . 0.492 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -88.59 104.31 16.72 Favored 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -84.72 114.54 22.12 Favored 'General case' 0 C--N 1.286 -2.155 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.957 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . 57.81 25.19 11.66 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.779 1.232 . . . . 0.0 110.896 -178.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 59.15 15.52 4.2 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.823 1.249 . . . . 0.0 112.105 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -96.43 -58.88 1.05 Allowed Glycine 0 N--CA 1.43 -1.71 0 N-CA-C 111.424 -0.671 . . . . 0.0 111.424 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 25.8 p90 -117.26 116.19 26.75 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-O 121.534 0.683 . . . . 0.0 111.211 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . 0.492 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . -96.71 105.77 3.26 Favored Glycine 0 N--CA 1.433 -1.532 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.212 178.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 58.6 t -86.47 117.07 30.26 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . 0.449 ' CE2' ' HA ' ' A' 1569 ' ' GLN . 89.9 m-85 -81.98 110.61 17.39 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 105.529 -2.026 . . . . 0.0 105.529 173.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 19.2 ptm -136.33 133.64 37.08 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 118.946 -1.102 . . . . 0.0 112.433 -177.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . 0.554 ' HB2' ' HB3' ' A' 1556 ' ' ASN . 41.7 t -108.1 148.79 29.34 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.756 -1.201 . . . . 0.0 107.756 176.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 1.9 mp -99.14 116.32 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.141 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 83.9 m 73.73 55.32 0.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 O-C-N 124.318 1.011 . . . . 0.0 112.83 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 149.36 -162.15 28.95 Favored Glycine 0 N--CA 1.429 -1.793 0 C-N-CA 120.008 -1.092 . . . . 0.0 111.992 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.85 147.04 25.94 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.554 ' HB3' ' HB2' ' A' 1551 ' ' SER . 8.1 p30 -100.01 132.74 45.18 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' 1536 ' ' ALA . 11.4 pt-20 -74.51 4.57 5.83 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -97.96 11.33 37.83 Favored 'General case' 0 C--N 1.307 -1.244 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 175.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 55.9 m -140.98 170.72 8.82 Favored Pre-proline 0 N--CA 1.442 -0.85 0 C-N-CA 126.615 1.966 . . . . 0.0 107.323 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -63.06 124.03 13.25 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.844 1.696 . . . . 0.0 110.169 175.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.26 114.08 1.49 Allowed 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 122.921 2.414 . . . . 0.0 110.93 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 136.45 -31.26 2.61 Favored Glycine 0 N--CA 1.432 -1.625 0 N-CA-C 108.858 -1.697 . . . . 0.0 108.858 -176.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 58.5 t -88.65 131.64 35.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -86.1 -41.53 7.04 Favored Glycine 0 C--O 1.245 0.822 0 C-N-CA 120.98 -0.628 . . . . 0.0 112.229 -176.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -143.74 147.24 33.91 Favored 'General case' 0 N--CA 1.436 -1.133 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -178.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 63.8 m -129.16 135.23 48.58 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.576 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 67.2 t80 -89.22 114.41 25.74 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 178.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 89.76 163.75 39.49 Favored Glycine 0 N--CA 1.428 -1.849 0 C-N-CA 120.524 -0.846 . . . . 0.0 111.782 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . 0.449 ' HA ' ' CE2' ' A' 1549 ' ' TYR . 28.8 mm-40 -79.82 3.23 20.26 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.105 0.479 . . . . 0.0 110.758 -178.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 4.2 m -87.04 -2.71 58.83 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.774 177.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 65.52 36.16 6.79 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 115.409 -0.814 . . . . 0.0 112.503 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 87.9 mt -72.6 115.04 12.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 16.5 p -63.08 124.24 20.63 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -175.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.419 HG23 ' HB3' ' A' 1606 ' ' TYR . 13.3 p -118.1 33.23 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-O 123.469 1.604 . . . . 0.0 108.255 176.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 136.78 142.68 4.47 Favored Glycine 0 N--CA 1.428 -1.896 0 CA-C-N 113.739 -1.573 . . . . 0.0 112.989 175.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.418 ' O ' ' HD1' ' A' 1592 ' ' TYR . 73.3 mmtt -80.88 158.4 25.34 Favored 'General case' 0 C--N 1.313 -1.01 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 175.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -61.49 96.11 0.06 Allowed 'General case' 0 C--N 1.313 -0.98 0 C-N-CA 123.705 0.802 . . . . 0.0 111.236 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.0 135.5 54.59 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 177.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.15 29.92 6.26 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 121.188 0.518 . . . . 0.0 109.912 -175.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . 0.571 ' HA ' ' HB3' ' A' 1514 ' ' ASP . 47.9 mtt180 -83.01 91.56 7.19 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.872 -177.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' 1588 ' ' LEU . 12.6 mt -75.91 127.54 33.2 Favored 'General case' 0 CA--C 1.498 -1.047 0 CA-C-N 115.019 -0.991 . . . . 0.0 112.004 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -119.52 121.61 39.78 Favored 'General case' 0 C--N 1.285 -2.221 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 173.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 42.8 t80 -95.41 99.34 11.26 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 15.6 m -127.0 123.93 63.5 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.484 -175.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.7 t70 52.9 52.9 12.98 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 124.373 1.069 . . . . 0.0 112.48 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 38.8 tt0 63.35 23.85 13.95 Favored 'General case' 0 CA--C 1.561 1.37 0 CA-C-N 114.094 -1.412 . . . . 0.0 112.429 173.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' 1612 ' ' PHE . 2.6 p -140.33 135.65 36.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.835 0 O-C-N 121.916 -0.49 . . . . 0.0 110.621 176.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.583 ' HB3' HD22 ' A' 1581 ' ' LEU . 64.3 mt -86.74 124.31 32.86 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.291 178.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -108.43 125.68 52.04 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.021 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 15.7 mt -114.31 132.08 56.3 Favored 'General case' 0 CA--C 1.496 -1.121 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 171.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.5 p -130.34 121.52 51.35 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.824 0 CA-C-O 121.463 0.649 . . . . 0.0 110.932 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . 0.418 ' HD1' ' O ' ' A' 1576 ' ' LYS . 94.4 m-85 -93.42 104.67 16.8 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 177.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 67.1 mttm -93.07 158.01 16.0 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.038 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 34.3 t70 68.69 88.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 125.24 1.416 . . . . 0.0 111.489 -179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . 0.47 ' HA3' ' O ' ' A' 1606 ' ' TYR . . . -120.37 -162.33 11.77 Favored Glycine 0 N--CA 1.423 -2.218 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 178.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 34.4 p -76.1 140.4 69.83 Favored Pre-proline 0 C--N 1.293 -1.876 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.81 138.14 67.13 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 123.295 2.664 . . . . 0.0 111.908 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 75.8 m -83.18 121.79 77.2 Favored Pre-proline 0 C--N 1.301 -1.542 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.959 -177.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 8.8 Cg_exo -76.66 -18.1 15.54 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.034 1.823 . . . . 0.0 108.956 170.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 3.9 m -70.24 -51.51 30.15 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 114.58 -1.191 . . . . 0.0 108.845 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -126.09 96.14 4.63 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 18.6 m -61.33 117.28 5.44 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.095 -178.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 118.85 -18.66 10.54 Favored Glycine 0 N--CA 1.431 -1.634 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.649 -178.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 98.4 mt -107.56 166.89 10.34 Favored 'General case' 0 C--N 1.307 -1.24 0 O-C-N 122.459 -0.436 . . . . 0.0 110.205 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 18.4 m -136.75 144.04 43.59 Favored 'General case' 0 C--N 1.307 -1.257 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.47 ' O ' ' HA3' ' A' 1595 ' ' GLY . 93.3 m-85 -67.58 123.73 21.27 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.562 0.539 . . . . 0.0 110.945 -178.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -133.08 161.97 32.97 Favored 'General case' 0 C--O 1.249 1.051 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 11.2 p -128.06 137.03 52.0 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 112.269 0.47 . . . . 0.0 112.269 -176.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 75.6 t -122.36 119.72 59.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 179.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 53.2 mt -103.49 122.99 56.76 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 34.1 t -103.91 105.38 15.55 Favored 'General case' 0 C--N 1.31 -1.112 0 C-N-CA 124.688 1.195 . . . . 0.0 109.611 -177.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.535 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 86.8 m-85 -94.5 103.07 15.04 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 37.0 t -91.24 135.98 25.45 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.772 -173.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . 0.611 ' O ' ' HD2' ' A' 1615 ' ' ARG . 1.5 t -60.47 94.4 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.496 1.119 . . . . 0.0 111.676 176.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . 0.611 ' HD2' ' O ' ' A' 1614 ' ' CYS . 16.8 mmm180 -133.21 102.12 13.22 Favored Pre-proline 0 C--N 1.306 -1.293 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 176.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . 0.439 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 63.9 Cg_exo -55.73 -28.68 67.76 Favored 'Trans proline' 0 CA--C 1.543 0.937 0 C-N-CA 123.181 2.587 . . . . 0.0 112.951 177.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -73.74 -16.09 61.19 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.823 -0.172 . . . . 0.0 111.152 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . 64.84 -166.07 0.23 Allowed 'General case' 0 C--O 1.245 0.833 0 C-N-CA 124.038 0.935 . . . . 0.0 109.094 -175.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -133.18 85.05 0.28 Allowed Glycine 0 C--O 1.191 -2.535 0 N-CA-C 108.128 -1.989 . . . . 0.0 108.128 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -5.84 -62.51 0.0 OUTLIER 'Trans proline' 0 C--N 1.38 2.212 1 C-N-CA 127.978 5.786 . . . . 0.0 118.61 -165.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . 0.452 ' O ' ' HG3' ' A' 1623 ' ' ARG . 5.8 p -65.12 -30.01 70.91 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 123.013 0.525 . . . . 0.0 111.738 -178.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 87.4 m-20 48.15 64.2 1.75 Allowed 'General case' 0 C--O 1.251 1.157 0 C-N-CA 124.625 1.17 . . . . 0.0 110.462 178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' 1621 ' ' THR . 42.4 mtp180 -141.72 150.71 57.9 Favored Pre-proline 0 C--N 1.31 -1.127 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -65.38 122.4 10.08 Favored 'Trans proline' 0 C--O 1.243 0.749 0 C-N-CA 122.705 2.27 . . . . 0.0 112.724 -176.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 21.7 ptp -108.78 143.36 38.03 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.6 tt -88.78 119.02 28.89 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -178.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 47.7 mm -98.92 -50.51 10.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 C-N-CA 121.044 -0.262 . . . . 0.0 111.2 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 12.9 m -137.04 126.78 25.5 Favored 'General case' 0 C--N 1.309 -1.192 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.279 -175.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.73 111.05 23.57 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 179.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 30.1 t70 -118.57 102.26 8.75 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.901 -0.72 . . . . 0.0 111.684 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 99.1 mttt -84.74 1.07 48.29 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.259 176.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -75.69 -45.3 37.68 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.301 -179.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 60.2 p -105.74 -1.17 24.74 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.502 176.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.458 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 99.9 m 64.01 55.78 1.51 Allowed 'General case' 0 C--O 1.238 0.488 0 CA-C-N 114.603 -1.18 . . . . 0.0 110.308 -176.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 22.1 m -132.58 125.37 30.31 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.883 -175.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -106.07 122.02 45.32 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -97.18 113.07 24.61 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.622 -179.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -109.19 148.14 31.4 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 106.746 -1.576 . . . . 0.0 106.746 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 28.2 t -134.64 156.36 48.87 Favored 'General case' 0 N--CA 1.42 -1.967 0 CA-C-N 118.734 0.697 . . . . 0.0 110.744 -178.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -140.14 137.66 34.62 Favored 'General case' 0 N--CA 1.423 -1.795 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -103.91 105.78 16.08 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 9.4 t -140.72 146.52 44.76 Favored Pre-proline 0 C--N 1.314 -0.951 0 CA-C-O 121.262 0.553 . . . . 0.0 111.778 -175.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.439 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 60.4 Cg_endo -75.79 -10.47 19.97 Favored 'Trans proline' 0 C--N 1.359 1.088 0 C-N-CA 123.192 2.594 . . . . 0.0 110.973 173.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 98.0 mt -80.53 -3.86 51.74 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.948 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -113.22 27.11 9.87 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-O 121.441 0.639 . . . . 0.0 109.889 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 8.6 t -132.2 137.82 47.74 Favored 'General case' 0 N--CA 1.428 -1.535 0 C-N-CA 119.702 -0.799 . . . . 0.0 111.03 -177.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -74.92 87.6 2.31 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 122.438 1.113 . . . . 0.0 111.128 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 71.5 mt -119.16 128.22 54.05 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . 0.494 ' HB2' ' HB ' ' A' 1523 ' ' THR . . . . . . . . 0 C--N 1.295 -1.769 0 CA-C-O 118.585 -0.721 . . . . 0.0 110.862 -175.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 97.4 mmm . . . . . 0 CA--C 1.513 -0.477 0 CA-C-O 120.965 0.412 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 22.1 pttp -89.86 46.82 1.39 Allowed 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 121.632 0.73 . . . . 0.0 110.376 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 14.0 p -81.24 52.99 1.93 Allowed 'General case' 0 N--CA 1.437 -1.08 0 CA-C-O 122.341 1.067 . . . . 0.0 111.201 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 17.4 m120 -94.64 14.48 20.93 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.02 -0.991 . . . . 0.0 108.74 178.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -67.11 139.3 57.52 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 177.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -147.51 66.08 1.13 Allowed 'General case' 0 C--N 1.291 -1.936 0 CA-C-O 121.136 0.494 . . . . 0.0 111.061 -175.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -139.24 -45.25 0.46 Allowed 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 119.18 -1.008 . . . . 0.0 112.807 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 31.5 t70 -107.98 47.74 0.88 Allowed 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 121.933 0.873 . . . . 0.0 111.535 -176.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 96.5 m 64.39 61.8 0.85 Allowed 'General case' 0 C--O 1.247 0.929 0 N-CA-C 115.065 1.506 . . . . 0.0 115.065 175.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -141.19 134.45 29.53 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 174.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 98.6 t -138.26 131.61 41.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 43.1 m -104.05 126.82 51.47 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 175.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 31.7 t30 -96.18 106.39 28.35 Favored Pre-proline 0 C--N 1.312 -1.046 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.24 -27.64 81.39 Favored 'Trans proline' 0 N--CA 1.48 0.694 0 C-N-CA 123.781 2.988 . . . . 0.0 114.353 -175.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 15.9 m -57.17 -53.14 61.41 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 120.84 0.352 . . . . 0.0 111.55 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 5.3 p -103.13 -18.33 14.99 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-O 121.118 0.485 . . . . 0.0 112.185 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 85.52 14.88 67.26 Favored Glycine 0 N--CA 1.44 -1.039 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -86.71 134.84 33.56 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.98 0.419 . . . . 0.0 110.148 -177.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.5 tt -99.63 129.99 45.82 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.465 ' HB3' HD11 ' A' 1588 ' ' LEU . 82.7 m-85 -101.76 125.78 48.49 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 177.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -120.79 124.96 46.35 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 123.49 0.494 . . . . 0.0 109.674 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 91.4 mt -115.56 4.59 14.22 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-O 121.187 0.518 . . . . 0.0 110.312 173.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 22.3 t -72.95 -28.28 62.33 Favored 'General case' 0 N--CA 1.436 -1.161 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -177.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 18.8 m -69.55 -4.92 21.07 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.784 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 94.5 mt -111.52 12.01 21.34 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . 0.63 ' HA ' ' O ' ' A' 1552 ' ' ILE . 25.9 t -74.88 160.26 30.86 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.067 0.46 . . . . 0.0 110.367 -179.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -175.88 136.56 3.36 Favored Glycine 0 N--CA 1.421 -2.338 0 N-CA-C 110.417 -1.073 . . . . 0.0 110.417 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 43.7 mtp85 -73.75 -33.47 64.31 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 117.17 0.485 . . . . 0.0 111.083 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -89.74 -24.25 21.58 Favored 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 175.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 60.32 -113.86 5.88 Favored Glycine 0 CA--C 1.499 -0.967 0 CA-C-N 114.479 -1.237 . . . . 0.0 112.221 175.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 87.7 t80 -156.96 132.25 9.15 Favored 'General case' 0 N--CA 1.428 -1.569 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 176.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 29.4 m -98.23 107.0 19.36 Favored 'General case' 0 N--CA 1.424 -1.736 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 176.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -83.41 118.48 23.75 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -66.44 131.25 45.64 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.089 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 36.2 t80 -101.55 142.03 33.53 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -70.93 75.67 0.64 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.414 0.626 . . . . 0.0 111.41 -178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 23.6 tptm -173.61 -39.4 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.158 -0.928 . . . . 0.0 108.773 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 149.71 -39.67 0.89 Allowed Glycine 0 N--CA 1.438 -1.203 0 C-N-CA 120.098 -1.049 . . . . 0.0 112.316 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . 0.48 ' CD1' ' HA2' ' A' 1568 ' ' GLY . 13.5 p90 -83.59 177.48 8.4 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.807 0.337 . . . . 0.0 111.149 -178.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -134.84 156.56 22.56 Favored Glycine 0 N--CA 1.425 -2.065 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 178.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 51.8 t -98.68 116.26 41.16 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 177.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -83.72 104.76 14.09 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.3 ptm -129.75 136.25 49.42 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 120.256 -0.578 . . . . 0.0 112.042 -176.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 74.9 m -116.83 146.0 43.17 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.701 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . 0.63 ' O ' ' HA ' ' A' 1533 ' ' SER . 2.4 mp -97.58 123.03 49.77 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 178.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 75.1 m 62.51 67.39 0.72 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 123.772 0.67 . . . . 0.0 112.366 177.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 145.23 -170.08 26.71 Favored Glycine 0 N--CA 1.429 -1.8 0 C-N-CA 120.245 -0.979 . . . . 0.0 111.653 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.79 156.61 16.77 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 -179.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -96.7 141.74 29.57 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -89.67 4.46 49.44 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-O 121.747 0.784 . . . . 0.0 111.673 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 14.5 m120 -76.98 -20.59 55.9 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 175.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . 0.506 ' HB3' ' HD2' ' A' 1560 ' ' PRO . 74.1 m -132.07 174.36 4.8 Favored Pre-proline 0 N--CA 1.429 -1.517 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.377 -176.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . 0.506 ' HD2' ' HB3' ' A' 1559 ' ' CYS . 39.1 Cg_exo -48.83 137.63 27.32 Favored 'Trans proline' 0 C--N 1.366 1.448 0 C-N-CA 122.968 2.446 . . . . 0.0 112.549 174.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 53.2 Cg_exo -57.13 107.49 0.29 Allowed 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.01 2.473 . . . . 0.0 111.448 178.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 140.75 -21.36 2.69 Favored Glycine 0 N--CA 1.436 -1.33 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 42.6 t -87.11 136.76 22.27 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.199 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 176.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -99.56 -23.89 10.61 Favored Glycine 0 C--N 1.315 -0.604 0 C-N-CA 120.561 -0.828 . . . . 0.0 112.619 -177.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -155.03 140.48 17.79 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 120.699 0.285 . . . . 0.0 110.36 -179.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 67.2 m -125.68 133.67 52.09 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.378 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 60.7 t80 -96.44 119.86 35.69 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.505 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . 0.48 ' HA2' ' CD1' ' A' 1546 ' ' TRP . . . 79.91 176.93 50.08 Favored Glycine 0 N--CA 1.434 -1.48 0 CA-C-N 115.472 -0.785 . . . . 0.0 114.195 171.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -76.55 -14.77 59.99 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 14.7 m -71.65 -12.54 61.39 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-N 114.997 -1.001 . . . . 0.0 109.894 175.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 61.0 35.89 18.8 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 124.74 1.216 . . . . 0.0 112.129 172.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 76.1 mt -71.4 130.72 35.08 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.293 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 5.0 p -70.29 110.68 5.39 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-O 121.736 0.779 . . . . 0.0 110.635 -179.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.505 HG23 ' HB3' ' A' 1606 ' ' TYR . 7.8 p -107.66 17.59 6.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.106 0 CA-C-O 122.373 1.083 . . . . 0.0 109.599 -176.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 168.35 138.27 2.43 Favored Glycine 0 N--CA 1.428 -1.864 0 CA-C-N 114.858 -1.065 . . . . 0.0 112.892 177.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 27.9 tptp -85.55 140.82 30.32 Favored 'General case' 0 C--N 1.308 -1.213 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 176.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -59.01 129.79 43.87 Favored 'General case' 0 C--N 1.321 -0.653 0 O-C-N 123.869 0.73 . . . . 0.0 110.146 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . 0.418 HD21 ' HB3' ' A' 1580 ' ' ARG . 36.4 t30 -152.02 147.84 27.0 Favored 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 -174.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 61.1 mttp -126.86 22.09 6.83 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.204 0.526 . . . . 0.0 109.788 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . 0.418 ' HB3' HD21 ' A' 1578 ' ' ASN . 29.2 ttm180 -75.04 97.32 3.38 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.45 HD21 ' HB3' ' A' 1588 ' ' LEU . 1.4 tt -84.88 119.6 25.52 Favored 'General case' 0 N--CA 1.428 -1.532 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -175.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -105.22 124.29 49.28 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . 0.481 ' CE1' ' HA ' ' A' 1586 ' ' GLN . 58.7 t80 -94.5 105.86 17.83 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 175.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 4.4 p -131.42 113.33 23.07 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.118 0 CA-C-O 121.482 0.658 . . . . 0.0 112.082 -175.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 35.8 t70 57.3 47.0 17.55 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.626 1.17 . . . . 0.0 110.378 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . 0.481 ' HA ' ' CE1' ' A' 1583 ' ' TYR . 50.2 mt-30 69.05 -1.23 2.16 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 114.341 -1.3 . . . . 0.0 113.803 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 47.8 t -107.26 141.24 22.97 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 -178.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.516 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 85.0 mt -90.48 142.59 27.59 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -134.25 128.38 33.75 Favored 'General case' 0 C--N 1.29 -2.009 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.108 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 58.3 mt -116.97 127.33 54.09 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 171.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 9.7 p -124.24 133.77 68.43 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.206 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.594 -176.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -111.43 94.87 5.19 Favored 'General case' 0 N--CA 1.425 -1.724 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 97.2 mttt -95.27 -167.84 1.69 Allowed 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 178.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 1.4 m-20 61.34 38.91 15.93 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 178.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -87.51 -163.03 38.55 Favored Glycine 0 N--CA 1.434 -1.451 0 C-N-CA 120.736 -0.745 . . . . 0.0 111.757 177.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 8.0 t -63.1 145.01 97.14 Favored Pre-proline 0 CA--C 1.562 1.436 0 C-N-CA 124.147 0.979 . . . . 0.0 110.317 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -70.67 127.54 14.0 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 122.931 2.421 . . . . 0.0 112.229 178.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . 0.454 ' HA ' ' HD3' ' A' 1599 ' ' PRO . 57.6 m -82.56 125.51 75.88 Favored Pre-proline 0 C--N 1.306 -1.289 0 CA-C-N 115.312 -0.858 . . . . 0.0 112.85 -177.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 2.7 Cg_exo -81.26 3.07 8.1 Favored 'Trans proline' 0 CA--C 1.546 1.089 0 C-N-CA 122.826 2.351 . . . . 0.0 111.177 173.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 35.7 t -73.09 -58.3 3.41 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.681 -178.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -151.88 -175.86 5.4 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 -177.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 61.4 m -71.64 167.47 19.74 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 174.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 73.1 44.48 35.63 Favored Glycine 0 CA--C 1.5 -0.853 0 N-CA-C 107.208 -2.357 . . . . 0.0 107.208 -171.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.61 88.41 4.53 Favored 'General case' 0 N--CA 1.424 -1.769 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -171.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 57.6 m -159.52 121.77 3.43 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.507 176.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.564 ' CD2' ' HB3' ' A' 1634 ' ' CYS . 47.0 m-85 -68.19 132.96 48.09 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 170.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . 0.562 ' O ' ' HA ' ' A' 1635 ' ' THR . 8.8 ptmm? -146.61 129.62 16.41 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.449 -176.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 23.1 m -108.61 132.31 54.0 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.079 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 80.9 t -114.22 116.9 53.96 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 51.5 mt -104.31 115.99 47.26 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 23.0 t -101.88 115.34 30.33 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.516 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 92.1 m-85 -93.93 107.01 18.96 Favored 'General case' 0 C--N 1.308 -1.203 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -178.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 50.3 t -94.28 143.08 12.4 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.689 -175.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . 0.421 ' SG ' ' HD3' ' A' 1616 ' ' PRO . 5.8 t -58.12 116.94 3.86 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 124.578 1.151 . . . . 0.0 112.125 179.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 5.0 tpm_? -140.29 78.97 22.05 Favored Pre-proline 0 C--N 1.314 -0.945 0 N-CA-C 108.149 -1.056 . . . . 0.0 108.149 176.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . 0.421 ' HD3' ' SG ' ' A' 1614 ' ' CYS . 29.5 Cg_exo -63.09 -35.96 61.64 Favored 'Trans proline' 0 N--CA 1.475 0.44 0 C-N-CA 123.188 2.592 . . . . 0.0 113.158 -176.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.03 41.54 1.18 Allowed 'General case' 0 C--N 1.31 -1.114 0 CA-C-O 121.632 0.729 . . . . 0.0 110.427 -179.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -58.38 167.64 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -177.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -173.9 -117.3 0.46 Allowed Glycine 0 N--CA 1.433 -1.509 0 N-CA-C 108.321 -1.911 . . . . 0.0 108.321 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -68.18 -0.65 5.92 Favored 'Trans proline' 0 N--CA 1.487 1.137 0 C-N-CA 123.144 2.563 . . . . 0.0 111.787 176.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . 0.428 ' O ' ' HB2' ' A' 1641 ' ' HIS . 13.6 p -81.12 -6.77 59.2 Favored 'General case' 0 N--CA 1.432 -1.366 0 C-N-CA 124.583 1.153 . . . . 0.0 111.745 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -85.68 53.78 2.89 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 122.144 0.974 . . . . 0.0 109.558 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -135.2 146.3 57.63 Favored Pre-proline 0 C--N 1.314 -0.942 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -76.29 122.72 6.74 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.456 2.104 . . . . 0.0 112.77 -177.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 92.8 mtp -104.05 135.04 46.3 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 177.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.6 tt -88.2 117.48 27.13 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 -177.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 51.1 mm -93.73 -54.67 6.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.381 -176.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 27.3 m -137.34 132.21 33.27 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.42 HD22 ' HG ' ' A' 1636 ' ' LEU . 0.3 OUTLIER -108.33 95.69 5.84 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 178.879 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 13.6 t70 -91.41 107.18 19.02 Favored 'General case' 0 C--N 1.305 -1.355 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.018 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 67.4 mttm -84.55 1.03 47.74 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.473 -177.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -91.34 -45.54 8.53 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.751 -174.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 28.0 p -113.83 10.28 17.74 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.5 0.666 . . . . 0.0 110.522 177.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.564 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 61.6 m 57.61 48.08 14.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.454 -1.248 . . . . 0.0 112.246 175.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . 0.562 ' HA ' ' O ' ' A' 1607 ' ' LYS . 74.4 m -114.55 123.33 49.1 Favored 'General case' 0 N--CA 1.423 -1.825 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.878 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.42 ' HG ' HD22 ' A' 1629 ' ' LEU . 6.1 mp -106.0 125.41 50.96 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -99.36 115.38 29.07 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.27 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -111.85 134.73 53.22 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 177.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 30.7 t -109.26 128.12 54.82 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -118.03 135.5 54.14 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' 1621 ' ' THR . 44.4 m170 -105.34 110.01 22.21 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 6.6 t -140.36 143.94 35.16 Favored Pre-proline 0 CA--C 1.545 0.759 0 CA-C-O 121.304 0.573 . . . . 0.0 111.051 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -75.0 -10.04 21.04 Favored 'Trans proline' 0 C--N 1.355 0.912 0 C-N-CA 123.414 2.743 . . . . 0.0 111.319 176.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 95.2 mt -80.31 -14.05 58.69 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.471 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -101.92 16.31 26.36 Favored 'General case' 0 CA--C 1.51 -0.566 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.416 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 15.0 t -132.45 153.42 50.89 Favored 'General case' 0 N--CA 1.422 -1.872 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.554 -176.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -124.14 75.01 1.34 Allowed 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 122.116 0.96 . . . . 0.0 109.13 175.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 54.0 tp -124.63 102.37 7.57 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.205 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.291 -1.958 0 CA-C-N 115.005 -0.998 . . . . 0.0 109.078 -178.856 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 88.0 mtp . . . . . 0 CA--C 1.495 -1.168 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -77.55 99.55 5.76 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 177.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 29.5 m -78.37 -1.92 35.72 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.921 -175.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -106.58 4.66 28.28 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.625 0.726 . . . . 0.0 109.714 175.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -107.55 4.52 26.12 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 176.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -146.71 132.24 18.73 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 114.475 -1.239 . . . . 0.0 108.51 -175.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . 0.448 ' O ' ' HG3' ' A' 1579 ' ' LYS . 32.3 t70 49.12 62.54 2.55 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 124.568 1.167 . . . . 0.0 110.11 177.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -126.4 54.01 1.6 Allowed 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 121.616 0.722 . . . . 0.0 111.808 -172.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . 0.494 ' HA ' ' HB2' ' A' 1581 ' ' LEU . 79.5 m 60.41 42.22 14.92 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 114.201 1.186 . . . . 0.0 114.201 175.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.44 ' HB2' HD11 ' A' 1526 ' ' LEU . 12.2 pt20 -139.89 129.54 24.43 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 174.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 60.8 t -120.41 128.1 75.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . 0.451 ' O ' ' HD3' ' A' 1521 ' ' PRO . 7.4 m -102.36 121.37 42.17 Favored 'General case' 0 C--N 1.282 -2.328 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 177.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 44.7 t30 -97.22 104.98 21.7 Favored Pre-proline 0 C--N 1.31 -1.144 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 175.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' A' 1519 ' ' THR . 34.8 Cg_exo -61.69 -16.72 50.37 Favored 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.689 2.926 . . . . 0.0 114.017 -175.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 15.5 m -67.49 -44.13 79.27 Favored 'General case' 0 N--CA 1.428 -1.573 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.714 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 18.7 p -112.28 -5.82 14.13 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.314 0.578 . . . . 0.0 112.12 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 71.21 22.91 78.54 Favored Glycine 0 N--CA 1.45 -0.378 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.895 179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 31.5 m170 -94.87 131.24 40.98 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 120.96 0.409 . . . . 0.0 111.871 -176.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . 0.44 HD11 ' HB2' ' A' 1517 ' ' GLN . 58.5 tp -97.42 108.87 21.68 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -92.95 112.93 25.06 Favored 'General case' 0 C--N 1.293 -1.881 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -126.49 160.24 31.13 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 92.9 mt -120.34 28.57 7.95 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 10.6 m -61.51 -38.99 89.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.766 0.317 . . . . 0.0 111.509 -176.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 14.6 m -61.81 -22.59 65.6 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 122.966 0.507 . . . . 0.0 112.257 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 4.4 pp -120.28 16.51 12.28 Favored 'General case' 0 N--CA 1.445 -0.708 0 CA-C-O 121.34 0.591 . . . . 0.0 111.823 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 30.8 t -90.08 120.35 31.19 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -140.53 127.27 3.41 Favored Glycine 0 N--CA 1.421 -2.356 0 N-CA-C 110.406 -1.078 . . . . 0.0 110.406 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' 1556 ' ' ASN . 10.2 ptp180 -83.2 -17.9 41.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.133 0.492 . . . . 0.0 111.479 -178.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -72.66 -33.14 66.36 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 175.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 88.45 -165.87 34.24 Favored Glycine 0 N--CA 1.411 -3.002 0 CA-C-N 113.926 -1.488 . . . . 0.0 112.732 174.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -133.1 135.25 45.15 Favored 'General case' 0 C--N 1.29 -2.018 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 176.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' 1548 ' ' VAL . 18.0 m -105.79 107.61 18.69 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -83.47 129.76 34.99 Favored 'General case' 0 C--N 1.302 -1.476 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -75.98 111.95 11.89 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.578 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 57.6 t80 -111.08 102.99 11.4 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . 61.79 23.64 13.93 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 124.864 1.266 . . . . 0.0 112.681 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.507 ' HB2' ' NZ ' ' A' 1544 ' ' LYS . 0.1 OUTLIER 51.9 57.18 6.78 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.418 1.087 . . . . 0.0 109.909 -175.168 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -169.35 -44.71 0.03 OUTLIER Glycine 0 CA--C 1.488 -1.627 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.394 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 99.1 m95 -100.01 122.26 42.63 Favored 'General case' 0 N--CA 1.429 -1.515 0 C-N-CA 120.114 -0.634 . . . . 0.0 109.637 176.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -107.49 102.9 1.87 Allowed Glycine 0 N--CA 1.416 -2.665 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' 1539 ' ' THR . 7.7 p -83.13 113.63 22.6 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 C-N-CA 119.958 -0.697 . . . . 0.0 109.314 178.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -91.95 104.7 17.08 Favored 'General case' 0 CA--C 1.492 -1.269 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 17.0 ptm -119.46 119.86 35.14 Favored 'General case' 0 C--N 1.279 -2.458 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.339 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 48.4 t -88.8 147.26 24.52 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.84 98.97 7.74 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.696 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 22.8 t 68.07 59.36 0.44 Allowed 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.934 177.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 169.29 173.71 37.13 Favored Glycine 0 N--CA 1.432 -1.597 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -81.29 135.99 35.75 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 178.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' 1535 ' ' ARG . 21.2 t-20 -78.85 129.49 34.63 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 120.689 0.281 . . . . 0.0 110.966 -175.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -65.81 -15.66 63.09 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 7.2 t30 -93.32 -11.48 32.31 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 122.048 0.927 . . . . 0.0 108.712 177.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . 0.421 ' HB3' ' HB ' ' A' 1563 ' ' VAL . 70.8 m -103.64 155.87 36.32 Favored Pre-proline 0 C--N 1.299 -1.602 0 CA-C-N 114.847 -1.069 . . . . 0.0 110.132 -177.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -61.09 125.73 17.76 Favored 'Trans proline' 0 C--O 1.248 1.009 0 C-N-CA 122.475 2.116 . . . . 0.0 109.778 173.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 92.5 Cg_exo -39.22 114.17 0.19 Allowed 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 124.954 3.769 . . . . 0.0 113.395 -177.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 127.83 -27.91 4.52 Favored Glycine 0 N--CA 1.441 -0.991 0 N-CA-C 110.389 -1.084 . . . . 0.0 110.389 -177.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . 0.421 ' HB ' ' HB3' ' A' 1559 ' ' CYS . 61.9 t -88.64 141.01 14.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.016 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 178.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -105.21 -25.84 6.54 Favored Glycine 0 N--CA 1.441 -0.978 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.594 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -144.95 134.04 22.68 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 120.803 0.335 . . . . 0.0 110.735 -178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 79.7 m -129.21 133.89 47.75 Favored 'General case' 0 C--N 1.304 -1.38 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.85 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 50.0 t80 -95.5 114.08 25.81 Favored 'General case' 0 N--CA 1.42 -1.939 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 82.9 169.61 44.71 Favored Glycine 0 N--CA 1.44 -1.099 0 CA-C-N 115.72 -0.673 . . . . 0.0 113.537 175.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -70.57 -15.52 62.77 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.598 0.713 . . . . 0.0 109.307 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 14.4 m -65.66 -16.14 63.46 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 114.616 -1.175 . . . . 0.0 109.785 174.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 62.6 36.73 13.51 Favored 'General case' 0 CA--C 1.505 -0.77 0 C-N-CA 125.378 1.471 . . . . 0.0 112.155 176.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 71.0 mt -68.76 114.0 5.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 11.1 p -64.52 117.77 7.83 Favored 'General case' 0 N--CA 1.428 -1.533 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.525 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' 1606 ' ' TYR . 11.2 p -120.32 36.37 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 CA-C-O 123.371 1.558 . . . . 0.0 108.536 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . 0.488 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 148.44 132.43 2.16 Favored Glycine 0 N--CA 1.416 -2.65 0 CA-C-N 114.054 -1.43 . . . . 0.0 113.366 177.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 48.0 tptt -75.29 157.57 34.17 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 174.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -67.38 79.27 0.16 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.44 0.638 . . . . 0.0 111.649 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.5 148.6 23.33 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.222 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' 1514 ' ' ASP . 17.7 pttp -146.01 33.35 1.01 Allowed 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 122.39 1.09 . . . . 0.0 109.907 -178.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -94.86 94.67 8.19 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 114.006 -1.452 . . . . 0.0 109.235 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.676 HD11 ' HB3' ' A' 1588 ' ' LEU . 33.0 tp -81.57 130.0 34.89 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.351 -175.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' 1588 ' ' LEU . 97.3 mtt180 -112.36 141.17 46.41 Favored 'General case' 0 C--N 1.294 -1.832 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 68.9 t80 -111.85 99.86 8.46 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 106.408 -1.701 . . . . 0.0 106.408 174.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 12.9 m -131.67 119.19 41.44 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.679 -174.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 19.7 m-20 61.37 39.4 15.32 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.576 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 58.84 37.61 24.8 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 114.693 -1.139 . . . . 0.0 111.445 -176.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 63.2 t -135.3 134.29 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.008 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 175.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.676 ' HB3' HD11 ' A' 1581 ' ' LEU . 93.2 mt -89.51 132.47 35.04 Favored 'General case' 0 C--N 1.301 -1.522 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 175.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -124.9 130.65 52.79 Favored 'General case' 0 C--N 1.283 -2.319 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.468 -175.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 61.4 mt -119.64 123.2 43.27 Favored 'General case' 0 C--N 1.313 -0.996 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 172.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 65.9 t -112.05 114.11 46.11 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.632 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . 0.488 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 76.8 m-85 -94.04 89.54 6.08 Favored 'General case' 0 C--N 1.292 -1.917 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 177.087 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 25.5 pttm -99.89 169.39 9.25 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.536 -178.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 38.0 t70 68.44 92.89 0.08 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.925 1.29 . . . . 0.0 112.489 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -135.57 -129.38 2.85 Favored Glycine 0 N--CA 1.422 -2.259 0 N-CA-C 109.389 -1.484 . . . . 0.0 109.389 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 28.8 m -83.02 143.67 46.22 Favored Pre-proline 0 C--N 1.287 -2.123 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 176.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.8 143.01 44.69 Favored 'Trans proline' 0 C--O 1.241 0.658 0 C-N-CA 122.522 2.148 . . . . 0.0 111.222 177.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . 0.409 ' HA ' ' HD3' ' A' 1599 ' ' PRO . 59.1 m -80.53 119.45 76.33 Favored Pre-proline 0 C--N 1.309 -1.185 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.172 -178.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' 1598 ' ' CYS . 8.0 Cg_exo -65.7 -27.57 52.51 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.439 2.093 . . . . 0.0 112.085 -177.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 42.3 m -83.14 -12.91 56.55 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 26.2 tptp -150.54 98.67 2.67 Favored 'General case' 0 C--O 1.248 0.988 0 C-N-CA 119.939 -0.705 . . . . 0.0 109.912 -175.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 5.4 p -63.29 121.77 14.53 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.489 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 116.21 -16.2 15.27 Favored Glycine 0 N--CA 1.436 -1.354 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.045 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 59.6 mt -105.82 165.18 11.37 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.189 0.519 . . . . 0.0 111.274 178.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 11.3 t -144.88 147.41 32.75 Favored 'General case' 0 N--CA 1.416 -2.138 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.447 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 98.4 m-85 -66.25 120.32 13.04 Favored 'General case' 0 CA--C 1.51 -0.569 0 O-C-N 123.933 0.77 . . . . 0.0 110.036 178.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -135.02 158.65 43.81 Favored 'General case' 0 C--O 1.25 1.103 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.551 -176.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 33.7 t -125.4 135.34 52.29 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.84 179.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 86.6 t -115.59 116.02 51.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 54.2 mt -104.57 118.49 51.94 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 10.9 t -105.29 108.91 20.67 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.513 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 84.3 m-85 -89.52 99.93 12.83 Favored 'General case' 0 C--N 1.317 -0.846 0 C-N-CA 123.274 0.63 . . . . 0.0 109.339 -179.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . 0.507 ' HB ' ' CD2' ' A' 1641 ' ' HIS . 47.1 t -92.86 135.69 27.0 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.702 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.196 -177.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . 0.477 ' HA ' ' O ' ' A' 1642 ' ' THR . 24.3 m -66.34 115.29 6.12 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 123.722 0.809 . . . . 0.0 110.16 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -148.76 117.59 3.97 Favored Pre-proline 0 C--N 1.309 -1.185 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -69.0 -16.11 40.49 Favored 'Trans proline' 0 N--CA 1.485 1.006 0 C-N-CA 123.323 2.682 . . . . 0.0 113.088 177.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -75.21 41.36 0.17 Allowed 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.091 0.956 . . . . 0.0 110.977 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -87.42 -170.04 2.86 Favored 'General case' 0 C--N 1.305 -1.361 0 C-N-CA 123.369 0.668 . . . . 0.0 111.842 -174.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 117.28 -103.18 1.07 Allowed Glycine 0 N--CA 1.437 -1.287 0 N-CA-C 109.259 -1.536 . . . . 0.0 109.259 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -85.04 8.41 4.64 Favored 'Trans proline' 0 CA--C 1.539 0.763 0 C-N-CA 122.914 2.409 . . . . 0.0 110.503 174.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 5.2 m -99.46 5.88 46.09 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.069 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -86.65 51.96 2.38 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.918 0.866 . . . . 0.0 109.428 -175.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -121.89 137.58 27.49 Favored Pre-proline 0 C--N 1.299 -1.596 0 CA-C-N 114.755 -1.112 . . . . 0.0 108.37 -176.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -73.59 122.05 7.55 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 121.413 1.409 . . . . 0.0 109.701 175.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 14.1 tpt -111.66 131.66 55.13 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 -177.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.9 tt -78.11 117.34 19.31 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 -178.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.9 mm -96.8 -47.36 12.76 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.117 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.317 -175.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . 0.409 ' HB2' ' CD2' ' A' 1637 ' ' PHE . 21.1 m -137.91 126.81 24.01 Favored 'General case' 0 C--N 1.31 -1.151 0 O-C-N 122.105 -0.372 . . . . 0.0 110.076 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -104.25 109.59 21.47 Favored 'General case' 0 C--N 1.31 -1.126 0 N-CA-C 107.02 -1.474 . . . . 0.0 107.02 178.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.7 t70 -117.71 107.86 14.7 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 120.388 -0.525 . . . . 0.0 110.154 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -84.29 -17.64 38.97 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -67.99 -50.59 54.74 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.97 0.414 . . . . 0.0 110.957 -176.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 42.3 p -99.5 4.36 45.97 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.424 0.631 . . . . 0.0 110.51 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.447 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 55.9 m 57.4 43.86 22.5 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.112 1.365 . . . . 0.0 111.481 176.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 28.3 m -120.37 116.15 24.93 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-O 121.062 0.458 . . . . 0.0 110.151 -176.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.8 mp -97.69 118.86 35.17 Favored 'General case' 0 C--N 1.31 -1.14 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' A' 1628 ' ' SER . 93.4 m-85 -94.56 119.84 33.86 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.797 -177.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -119.41 142.38 48.26 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 29.0 t -117.43 142.3 47.3 Favored 'General case' 0 N--CA 1.408 -2.533 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 176.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . 0.45 ' O ' ' HA ' ' A' 1612 ' ' PHE . 4.8 t-105 -125.86 135.88 52.45 Favored 'General case' 0 N--CA 1.415 -2.18 0 N-CA-C 105.315 -2.105 . . . . 0.0 105.315 176.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . 0.507 ' CD2' ' HB ' ' A' 1613 ' ' VAL . 68.7 m80 -109.26 109.06 19.88 Favored 'General case' 0 C--N 1.279 -2.496 0 CA-C-O 121.236 0.541 . . . . 0.0 111.097 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' 1614 ' ' CYS . 8.8 t -130.59 143.87 51.05 Favored Pre-proline 0 N--CA 1.426 -1.659 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.593 -175.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -83.87 0.78 9.18 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.713 2.275 . . . . 0.0 111.117 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.6 mt -91.97 -5.66 52.65 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.365 -178.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -79.57 -17.43 53.95 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.355 0.598 . . . . 0.0 111.536 -178.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 60.4 m -130.98 156.99 44.17 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -76.59 75.37 3.29 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 122.155 0.979 . . . . 0.0 110.424 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 50.9 tp -85.54 127.37 34.42 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.427 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.558 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 177.543 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 CA--C 1.516 -0.362 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 61.6 mttp -116.86 142.81 46.45 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 176.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 57.1 m 58.77 52.65 6.47 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 124.475 1.109 . . . . 0.0 109.785 -176.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -67.87 -50.52 55.94 Favored 'General case' 0 CA--C 1.503 -0.864 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.556 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -83.24 96.56 8.49 Favored 'General case' 0 N--CA 1.433 -1.306 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 177.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . 0.488 ' O ' ' HE3' ' A' 1579 ' ' LYS . 78.6 m80 -77.18 102.45 6.62 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.812 -178.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 26.5 t70 -136.6 72.25 1.43 Allowed 'General case' 0 C--N 1.309 -1.162 0 CA-C-O 122.196 0.998 . . . . 0.0 108.656 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 4.3 p30 -100.89 -50.79 3.73 Favored 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.419 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 7.4 t 56.76 46.11 20.56 Favored 'General case' 0 C--O 1.257 1.448 0 CA-C-O 122.32 1.057 . . . . 0.0 108.617 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.568 ' HB3' HD11 ' A' 1526 ' ' LEU . 73.6 mt-30 -136.78 143.38 43.19 Favored 'General case' 0 N--CA 1.433 -1.285 0 CA-C-N 114.24 -1.345 . . . . 0.0 109.737 -176.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 59.1 t -128.93 117.76 45.12 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.181 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.925 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 23.9 m -94.71 112.47 24.21 Favored 'General case' 0 N--CA 1.425 -1.722 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 174.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -95.69 118.61 65.94 Favored Pre-proline 0 C--N 1.295 -1.777 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -66.97 -18.22 51.92 Favored 'Trans proline' 0 CA--C 1.537 0.634 0 C-N-CA 123.158 2.572 . . . . 0.0 114.352 -174.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 19.6 m -78.56 -44.74 23.44 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.196 0.522 . . . . 0.0 110.476 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 25.1 p -83.24 -39.49 20.84 Favored 'General case' 0 N--CA 1.435 -1.199 0 CA-C-O 121.876 0.846 . . . . 0.0 110.312 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 87.91 10.11 69.98 Favored Glycine 0 N--CA 1.432 -1.608 0 CA-C-N 114.751 -1.113 . . . . 0.0 110.505 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -106.65 140.21 39.87 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-O 121.181 0.515 . . . . 0.0 110.67 -174.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . 0.568 HD11 ' HB3' ' A' 1517 ' ' GLN . 51.8 tp -89.33 110.94 21.67 Favored 'General case' 0 C--N 1.294 -1.829 0 CA-C-N 114.699 -1.137 . . . . 0.0 108.497 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -88.56 129.17 35.54 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 178.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.4 t70 -128.78 132.5 47.88 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 123.592 0.558 . . . . 0.0 112.094 -173.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . 0.478 HD22 HD12 ' A' 1532 ' ' LEU . 82.2 mt -121.1 21.51 11.24 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.723 177.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 63.8 p -64.4 -32.26 73.81 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -177.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 17.2 m -70.23 -15.4 62.91 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.119 0.485 . . . . 0.0 110.966 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . 0.478 HD12 HD22 ' A' 1529 ' ' LEU . 94.2 mt -101.2 -19.43 15.72 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.529 177.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . 0.549 ' HA ' ' O ' ' A' 1552 ' ' ILE . 23.3 t -66.95 143.12 57.0 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.124 -178.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . 0.447 ' O ' ' HB3' ' A' 1551 ' ' SER . . . -169.5 146.79 10.39 Favored Glycine 0 N--CA 1.435 -1.392 0 N-CA-C 110.064 -1.215 . . . . 0.0 110.064 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -84.69 -33.63 23.14 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -77.0 -34.71 57.49 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-O 121.632 0.729 . . . . 0.0 110.143 178.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 76.11 -146.95 34.07 Favored Glycine 0 N--CA 1.436 -1.361 0 CA-C-N 114.64 -1.164 . . . . 0.0 113.897 173.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -132.87 136.01 45.95 Favored 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 90.3 m -110.02 118.75 37.26 Favored 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 175.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -118.87 118.68 32.2 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . 0.423 ' HA ' ' HA2' ' A' 1547 ' ' GLY . . . -94.16 115.9 28.24 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.444 -178.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . 0.515 ' HB2' ' HB2' ' A' 1546 ' ' TRP . 47.5 m-85 -97.72 107.89 20.49 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.562 176.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . 59.71 27.72 17.03 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.328 1.451 . . . . 0.0 113.47 176.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 50.71 75.03 0.2 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.306 1.043 . . . . 0.0 111.031 -178.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 168.09 -44.21 0.23 Allowed Glycine 0 C--N 1.299 -1.521 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 -176.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . 0.515 ' HB2' ' HB2' ' A' 1542 ' ' TYR . 94.0 m95 -100.09 72.56 1.67 Allowed 'General case' 0 N--CA 1.429 -1.501 0 CA-C-O 121.635 0.731 . . . . 0.0 109.678 176.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' 1541 ' ' ALA . . . -84.86 115.58 4.13 Favored Glycine 0 N--CA 1.427 -1.91 0 N-CA-C 110.48 -1.048 . . . . 0.0 110.48 177.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 11.8 p -95.5 122.0 46.58 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 CA-C-O 121.452 0.644 . . . . 0.0 109.515 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -104.61 104.38 14.19 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 106.124 -1.806 . . . . 0.0 106.124 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.6 ptm -134.35 133.29 40.48 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 121.105 0.479 . . . . 0.0 112.092 -172.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . 0.447 ' HB3' ' O ' ' A' 1534 ' ' GLY . 72.9 m -111.52 154.85 24.16 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 107.693 -1.225 . . . . 0.0 107.693 176.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . 0.549 ' O ' ' HA ' ' A' 1533 ' ' SER . 50.0 mm -100.07 114.78 39.63 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.417 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.138 -176.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . 0.478 ' SG ' ' HB2' ' A' 1579 ' ' LYS . 25.9 t 66.28 61.46 0.59 Allowed 'General case' 0 C--O 1.251 1.158 0 O-C-N 124.257 0.973 . . . . 0.0 110.958 171.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 159.85 -161.32 32.26 Favored Glycine 0 N--CA 1.434 -1.487 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.689 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.68 150.33 22.86 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 122.517 0.327 . . . . 0.0 110.695 178.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.506 ' HB2' HD22 ' A' 1558 ' ' ASN . 9.3 p30 -103.26 147.43 27.06 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.49 -177.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -91.12 4.64 51.67 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.194 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . 0.506 HD22 ' HB2' ' A' 1556 ' ' ASN . 25.2 m-80 -85.04 -7.87 58.94 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 122.072 0.939 . . . . 0.0 108.533 -178.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 78.3 m -145.22 174.82 3.13 Favored Pre-proline 0 C--N 1.293 -1.89 0 N-CA-C 104.706 -2.331 . . . . 0.0 104.706 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -59.9 125.93 19.02 Favored 'Trans proline' 0 C--O 1.251 1.163 0 C-N-CA 121.288 1.326 . . . . 0.0 110.951 174.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -51.96 115.61 2.25 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 123.159 2.573 . . . . 0.0 111.033 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 148.83 -33.25 1.17 Allowed Glycine 0 C--N 1.295 -1.742 0 N-CA-C 107.126 -2.39 . . . . 0.0 107.126 -176.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 44.0 t -84.89 137.09 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 173.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -89.24 -40.74 6.02 Favored Glycine 0 N--CA 1.44 -1.077 0 N-CA-C 111.71 -0.556 . . . . 0.0 111.71 -177.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -150.14 143.83 25.3 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-O 120.732 0.301 . . . . 0.0 110.314 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 83.3 m -122.19 133.66 54.72 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 68.9 t80 -114.63 127.2 55.65 Favored 'General case' 0 C--N 1.296 -1.733 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 -178.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 103.81 153.92 23.54 Favored Glycine 0 N--CA 1.429 -1.821 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.739 175.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -60.57 -26.55 67.01 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 123.544 0.738 . . . . 0.0 111.474 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.6 m -85.46 -2.16 57.83 Favored 'General case' 0 CA--C 1.56 1.365 0 CA-C-O 121.815 0.817 . . . . 0.0 111.11 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 63.81 57.92 1.31 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.229 1.411 . . . . 0.0 112.393 177.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 68.4 mt -74.23 121.07 24.66 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 33.1 p -64.74 118.49 9.02 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-O 121.182 0.515 . . . . 0.0 110.86 -178.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . . . . . . . . . 13.3 p -113.64 29.33 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.253 0 CA-C-O 122.785 1.279 . . . . 0.0 109.657 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 144.94 150.84 5.3 Favored Glycine 0 N--CA 1.419 -2.484 0 CA-C-N 114.771 -1.104 . . . . 0.0 113.58 173.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -83.89 159.56 21.3 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 124.273 1.029 . . . . 0.0 108.758 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -61.32 89.63 0.02 OUTLIER 'General case' 0 C--N 1.31 -1.116 0 C-N-CA 124.106 0.962 . . . . 0.0 111.854 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.46 131.83 53.18 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . 0.488 ' HE3' ' O ' ' A' 1513 ' ' HIS . 52.9 pttt -132.2 32.96 3.92 Favored 'General case' 0 C--N 1.29 -2.006 0 CA-C-O 122.496 1.141 . . . . 0.0 110.628 176.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -90.46 92.71 8.99 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 173.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 1.5 tt -74.74 127.44 33.14 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-N 114.533 -1.212 . . . . 0.0 108.183 -173.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -108.15 140.78 40.87 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.473 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 62.6 t80 -117.47 99.74 7.19 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 173.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 16.5 m -133.24 130.75 57.9 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.631 -175.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 22.2 m-20 56.84 36.32 27.55 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 123.644 0.778 . . . . 0.0 111.474 -177.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 62.39 29.09 17.16 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-N 114.732 -1.122 . . . . 0.0 112.084 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 79.6 t -127.05 139.65 51.3 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 177.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.496 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 95.9 mt -90.5 130.55 36.54 Favored 'General case' 0 C--N 1.311 -1.092 0 N-CA-C 107.809 -1.182 . . . . 0.0 107.809 175.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -126.62 135.4 51.16 Favored 'General case' 0 C--N 1.288 -2.078 0 CA-C-O 120.963 0.411 . . . . 0.0 111.423 -175.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 82.5 mt -121.15 123.59 42.65 Favored 'General case' 0 C--N 1.305 -1.363 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 171.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 5.7 p -124.0 118.65 54.59 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.935 0 CA-C-O 121.2 0.524 . . . . 0.0 110.938 -177.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . 0.424 ' HB2' ' OG ' ' A' 1608 ' ' SER . 81.4 m-85 -96.64 107.73 20.22 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 176.37 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.47 170.85 8.01 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.66 -177.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 38.7 t70 70.21 45.9 0.64 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.739 1.216 . . . . 0.0 110.985 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -87.77 -138.3 5.83 Favored Glycine 0 N--CA 1.434 -1.441 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' A' 1597 ' ' PRO . 70.5 m -69.58 133.15 88.93 Favored Pre-proline 0 C--N 1.304 -1.403 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 177.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' 1596 ' ' SER . 27.3 Cg_exo -64.15 140.15 70.09 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.845 2.363 . . . . 0.0 111.375 178.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 60.9 m -82.37 112.72 38.72 Favored Pre-proline 0 C--N 1.303 -1.448 0 C-N-CA 122.965 0.506 . . . . 0.0 111.005 -178.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -63.94 -26.97 66.57 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 122.914 2.409 . . . . 0.0 112.374 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 7.9 m -85.4 -16.85 38.44 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.225 -179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 23.3 tptm -142.0 92.64 2.46 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 35.9 m -62.48 124.4 20.85 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.338 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 118.88 -23.41 8.78 Favored Glycine 0 N--CA 1.436 -1.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 111.826 -178.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 70.5 mt -109.48 155.1 21.74 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.393 0.616 . . . . 0.0 112.096 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 37.5 m -129.59 149.9 51.15 Favored 'General case' 0 N--CA 1.429 -1.479 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 175.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.503 ' HA ' ' HB3' ' A' 1634 ' ' CYS . 98.1 m-85 -66.12 126.41 28.56 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 123.276 0.36 . . . . 0.0 110.957 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -122.5 147.98 45.71 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.426 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . 0.424 ' OG ' ' HB2' ' A' 1592 ' ' TYR . 5.5 p -111.69 120.02 40.62 Favored 'General case' 0 C--N 1.284 -2.253 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.525 177.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 88.5 t -108.76 113.88 45.27 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.459 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.395 -178.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 61.7 mt -98.85 114.72 37.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 12.1 t -107.15 113.89 27.61 Favored 'General case' 0 N--CA 1.416 -2.147 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.496 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 93.9 m-85 -90.42 99.11 12.19 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' 1641 ' ' HIS . 21.6 t -87.04 136.39 23.09 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' A' 1642 ' ' THR . 45.3 t -75.78 122.16 23.64 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-O 121.397 0.617 . . . . 0.0 112.574 -174.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -131.58 91.71 33.42 Favored Pre-proline 0 C--N 1.301 -1.532 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 173.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . 0.42 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 50.8 Cg_exo -58.21 -22.09 55.12 Favored 'Trans proline' 0 N--CA 1.482 0.831 0 C-N-CA 123.577 2.851 . . . . 0.0 113.303 -177.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -79.17 -17.98 53.93 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.315 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . 61.53 -158.27 0.33 Allowed 'General case' 0 C--N 1.349 0.587 0 O-C-N 124.023 0.827 . . . . 0.0 108.929 -173.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 132.06 -164.97 23.66 Favored Glycine 0 N--CA 1.436 -1.313 0 C-N-CA 120.303 -0.951 . . . . 0.0 111.206 178.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -82.06 23.41 0.78 Allowed 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 123.164 2.576 . . . . 0.0 112.143 -176.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 1.5 m -114.88 8.81 16.05 Favored 'General case' 0 N--CA 1.423 -1.775 0 CA-C-O 121.964 0.888 . . . . 0.0 109.53 -177.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -90.41 45.74 1.29 Allowed 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 122.836 1.303 . . . . 0.0 107.926 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -144.59 138.11 14.29 Favored Pre-proline 0 C--N 1.288 -2.068 0 CA-C-N 113.942 -1.481 . . . . 0.0 107.406 -171.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.444 ' HD3' ' CZ3' ' A' 1640 ' ' TRP . 46.1 Cg_endo -68.66 123.11 10.11 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 122.376 2.051 . . . . 0.0 112.538 -176.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 51.3 tpp -131.56 133.8 45.42 Favored 'General case' 0 C--N 1.308 -1.219 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 177.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.6 tt -76.47 116.72 17.42 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 43.9 mm -107.46 -37.21 3.56 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.195 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -175.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 17.0 m -137.86 133.34 33.77 Favored 'General case' 0 C--N 1.306 -1.304 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.212 -177.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.73 115.67 26.06 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 -178.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 15.2 t70 -121.43 106.41 11.4 Favored 'General case' 0 C--N 1.31 -1.129 0 C-N-CA 119.956 -0.698 . . . . 0.0 110.624 177.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -73.35 -32.03 64.29 Favored 'General case' 0 C--N 1.309 -1.162 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -65.66 -49.69 67.7 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -176.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 32.2 p -90.35 3.66 53.07 Favored 'General case' 0 C--N 1.31 -1.151 0 C-N-CA 119.753 -0.779 . . . . 0.0 111.249 178.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.503 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 63.6 m 56.96 47.56 17.45 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 114.494 -1.23 . . . . 0.0 111.24 177.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 23.8 m -125.19 126.57 45.43 Favored 'General case' 0 N--CA 1.424 -1.726 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.566 -175.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.5 mp -107.38 119.95 40.81 Favored 'General case' 0 N--CA 1.431 -1.386 0 N-CA-C 107.826 -1.176 . . . . 0.0 107.826 173.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -94.43 115.65 27.88 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.241 -175.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -109.29 129.6 55.51 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 176.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 48.0 m -108.52 134.96 50.57 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-O 120.798 0.332 . . . . 0.0 110.159 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . 0.444 ' CZ3' ' HD3' ' A' 1624 ' ' PRO . 2.8 t-105 -129.7 134.02 47.4 Favored 'General case' 0 N--CA 1.427 -1.591 0 N-CA-C 104.99 -2.226 . . . . 0.0 104.99 175.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . 0.47 ' HA ' ' O ' ' A' 1613 ' ' VAL . 18.2 m-70 -111.96 113.16 25.31 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . 0.547 ' O ' ' HA ' ' A' 1614 ' ' CYS . 11.8 t -138.16 147.15 54.79 Favored Pre-proline 0 C--N 1.305 -1.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.831 -175.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.42 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 13.9 Cg_exo -70.82 -13.64 32.15 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.955 2.436 . . . . 0.0 111.747 174.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.37 -13.88 62.6 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.638 0.775 . . . . 0.0 112.641 -176.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -81.88 -7.28 59.59 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.384 0.611 . . . . 0.0 110.587 179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 88.2 m -119.18 160.16 22.65 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.19 177.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -84.01 75.49 10.14 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 175.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 35.7 tp -107.76 145.86 32.94 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.814 -177.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.605 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -178.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 25.1 ptt? . . . . . 0 N--CA 1.472 0.639 0 CA-C-O 121.445 0.641 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -128.14 -53.33 1.3 Allowed 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -177.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 24.6 t -150.22 82.01 1.37 Allowed 'General case' 0 N--CA 1.427 -1.607 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 176.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 12.8 m120 -84.45 -20.91 31.0 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.949 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -74.26 154.7 38.86 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 174.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 42.4 m80 -87.69 66.78 9.02 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.112 0.482 . . . . 0.0 110.435 -177.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -161.73 81.11 0.58 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.982 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -104.56 -59.82 1.68 Allowed 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 174.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . . . . . . . . . 1.8 t 61.1 37.73 17.56 Favored 'General case' 0 C--O 1.25 1.11 0 CA-C-O 121.563 0.697 . . . . 0.0 109.906 177.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' A' 1527 ' ' PHE . 19.2 pt20 -158.57 130.47 6.69 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.943 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 52.4 t -112.93 147.79 16.35 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.304 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 32.8 m -136.64 123.29 21.05 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -98.01 105.79 30.27 Favored Pre-proline 0 C--N 1.309 -1.193 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.69 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -65.79 -17.94 57.17 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.933 2.422 . . . . 0.0 113.655 -175.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 13.3 m -74.62 -27.59 60.52 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 120.737 0.303 . . . . 0.0 111.456 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 23.5 p -121.69 -23.34 5.57 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 89.54 13.71 60.96 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.459 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 35.8 m80 -85.94 130.38 34.56 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 120.489 0.185 . . . . 0.0 110.622 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 3.9 tt -113.56 132.27 55.78 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 178.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' 1517 ' ' GLN . 83.9 m-85 -123.95 106.54 10.5 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 -178.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -121.05 151.65 39.56 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 80.5 mt -117.89 29.29 7.9 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 123.645 0.591 . . . . 0.0 111.185 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . 0.509 ' HA ' ' OG ' ' A' 1533 ' ' SER . 23.0 t -63.1 -25.79 68.53 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 -176.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 42.3 t -72.34 -19.62 61.61 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.469 0.652 . . . . 0.0 110.033 176.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 82.6 mt -111.48 1.28 16.85 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . 0.509 ' OG ' ' HA ' ' A' 1530 ' ' SER . 28.2 m -72.39 107.72 5.12 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -154.57 132.45 3.5 Favored Glycine 0 N--CA 1.423 -2.213 0 C-N-CA 120.22 -0.99 . . . . 0.0 111.998 -178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . 0.492 ' O ' ' HA ' ' A' 1556 ' ' ASN . 94.8 mtt180 -77.93 -22.34 49.75 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -82.73 -25.32 32.99 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 176.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 58.45 -121.26 25.71 Favored Glycine 0 CA--C 1.5 -0.894 0 CA-C-N 114.465 -1.243 . . . . 0.0 114.723 172.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 68.4 t80 -153.32 149.63 28.07 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 28.1 m -119.61 122.48 41.66 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . 0.411 ' O ' HG12 ' A' 1548 ' ' VAL . . . -120.33 140.95 50.52 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 120.809 0.338 . . . . 0.0 110.523 179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -110.4 121.84 46.27 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 176.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -119.29 158.77 25.4 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 -179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -77.39 67.34 3.31 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.759 0.79 . . . . 0.0 110.158 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 29.9 tptp -177.75 -44.03 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 105.636 -1.987 . . . . 0.0 105.636 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -144.82 102.97 0.28 Allowed Glycine 0 N--CA 1.427 -1.92 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 29.5 m-90 -86.08 64.75 8.75 Favored 'General case' 0 C--N 1.297 -1.715 0 CA-C-O 121.639 0.733 . . . . 0.0 110.725 -175.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . 147.63 90.44 0.09 OUTLIER Glycine 0 N--CA 1.416 -2.697 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.364 176.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' 1540 ' ' ALA . 12.1 p -112.46 120.46 62.71 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.92 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 173.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -98.86 104.3 16.33 Favored 'General case' 0 C--N 1.288 -2.104 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . 0.426 ' O ' ' HA3' ' A' 1537 ' ' GLY . 24.4 ptm -119.91 134.41 55.25 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.671 -173.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 39.2 t -100.8 143.51 30.87 Favored 'General case' 0 C--N 1.291 -1.97 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 175.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 2.2 mp -101.64 109.99 27.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 176.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 49.5 t 64.64 50.16 2.17 Favored 'General case' 0 N--CA 1.446 -0.672 0 O-C-N 124.507 1.13 . . . . 0.0 109.637 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . -179.37 -165.23 33.21 Favored Glycine 0 N--CA 1.431 -1.68 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.724 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -114.89 135.66 53.96 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.492 ' HA ' ' O ' ' A' 1535 ' ' ARG . 18.9 t-20 -80.1 135.29 36.29 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-O 121.575 0.702 . . . . 0.0 112.638 -170.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -60.1 -20.19 57.01 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.391 1.476 . . . . 0.0 113.59 -178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 29.1 m-80 -97.21 4.54 51.01 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 65.2 m -125.47 155.61 71.63 Favored Pre-proline 0 C--N 1.296 -1.732 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.77 -175.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -52.19 146.43 31.08 Favored 'Trans proline' 0 CA--C 1.543 0.961 0 C-N-CA 123.031 2.488 . . . . 0.0 110.894 173.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -54.42 114.78 1.98 Allowed 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 123.64 2.894 . . . . 0.0 112.657 -177.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 113.85 -11.65 22.84 Favored Glycine 0 N--CA 1.427 -1.939 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.827 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 59.0 t -88.52 126.05 41.76 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 CA-C-N 117.532 0.666 . . . . 0.0 109.49 177.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -88.62 -29.74 17.82 Favored Glycine 0 CA--C 1.506 -0.505 0 C-N-CA 121.188 -0.529 . . . . 0.0 113.469 -174.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -150.36 139.62 21.28 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 120.806 0.336 . . . . 0.0 110.865 -178.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 75.0 m -126.7 133.12 50.99 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.042 177.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 92.0 t80 -106.94 126.26 52.08 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 123.247 0.619 . . . . 0.0 109.941 -177.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 95.28 166.11 35.27 Favored Glycine 0 N--CA 1.433 -1.561 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.446 174.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -67.04 -23.74 65.92 Favored 'General case' 0 C--O 1.247 0.972 0 C-N-CA 123.028 0.531 . . . . 0.0 111.173 -177.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.3 m -87.69 2.25 51.59 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-O 121.992 0.901 . . . . 0.0 111.307 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 61.1 53.18 3.71 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 114.947 -1.024 . . . . 0.0 110.812 176.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 70.7 mt -69.26 117.53 12.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 7.1 p -60.34 110.1 1.16 Allowed 'General case' 0 N--CA 1.436 -1.13 0 CA-C-O 121.511 0.672 . . . . 0.0 110.737 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.56 HG23 ' HB3' ' A' 1606 ' ' TYR . 14.1 p -109.33 17.26 7.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 CA-C-O 122.548 1.166 . . . . 0.0 109.393 -176.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . 0.475 ' HA3' ' HB3' ' A' 1592 ' ' TYR . . . 161.45 139.28 2.61 Favored Glycine 0 N--CA 1.424 -2.1 0 CA-C-N 114.675 -1.148 . . . . 0.0 113.072 176.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 39.6 tptt -85.15 145.67 27.5 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -59.02 105.57 0.33 Allowed 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 124.117 0.967 . . . . 0.0 112.845 -174.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 33.8 t30 -119.34 131.95 55.79 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 94.0 mttt -116.88 5.54 12.98 Favored 'General case' 0 C--N 1.297 -1.697 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.616 -176.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -78.46 96.87 5.5 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.683 0.754 . . . . 0.0 110.306 -177.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . . . . . . . . . 30.0 mt -75.62 146.55 40.25 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.138 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 74.7 mtp180 -125.14 136.84 54.01 Favored 'General case' 0 C--N 1.296 -1.74 0 CA-C-N 114.482 -1.236 . . . . 0.0 107.724 174.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . 0.533 ' CZ ' ' HA ' ' A' 1586 ' ' GLN . 60.9 t80 -111.86 100.36 8.86 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 175.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 9.4 m -126.1 115.79 43.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.1 -173.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 36.3 t70 57.39 48.33 14.93 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 124.795 1.238 . . . . 0.0 111.574 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . 0.533 ' HA ' ' CZ ' ' A' 1583 ' ' TYR . 43.1 tt0 64.17 30.66 13.62 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 114.331 -1.304 . . . . 0.0 111.011 178.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 38.2 t -135.52 136.34 50.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.935 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 177.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.523 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 87.2 mt -92.44 134.95 34.45 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 108.139 -1.059 . . . . 0.0 108.139 174.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -124.72 131.62 53.44 Favored 'General case' 0 C--N 1.29 -2.011 0 C-N-CA 121.072 -0.251 . . . . 0.0 111.494 -177.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 22.2 mt -119.5 123.57 44.32 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 170.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 6.0 p -119.41 116.18 49.99 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.08 0 CA-C-O 121.46 0.648 . . . . 0.0 110.629 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . 0.475 ' HB3' ' HA3' ' A' 1575 ' ' GLY . 97.4 m-85 -95.24 105.91 17.9 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 176.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 58.8 pttt -110.49 -172.99 2.14 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 -178.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 12.3 m-20 66.83 29.57 8.34 Favored 'General case' 0 N--CA 1.489 1.492 0 C-N-CA 122.958 0.503 . . . . 0.0 112.076 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -78.24 -159.28 12.76 Favored Glycine 0 C--O 1.252 1.262 0 CA-C-N 116.224 -0.444 . . . . 0.0 112.208 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 50.4 m -64.88 134.91 96.19 Favored Pre-proline 0 C--N 1.309 -1.179 0 C-N-CA 122.424 0.29 . . . . 0.0 110.649 178.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -65.53 129.41 22.42 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 122.26 1.973 . . . . 0.0 108.994 176.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 55.3 m -61.09 121.91 65.88 Favored Pre-proline 0 C--N 1.311 -1.094 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 -177.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -62.17 -21.37 72.41 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 122.873 2.382 . . . . 0.0 110.864 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 3.3 p -80.62 -36.49 32.57 Favored 'General case' 0 N--CA 1.42 -1.948 0 C-N-CA 124.929 1.292 . . . . 0.0 111.388 178.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -137.18 94.29 2.93 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.571 -173.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 47.5 m -67.78 100.96 0.99 Allowed 'General case' 0 C--N 1.309 -1.191 0 CA-C-O 121.455 0.645 . . . . 0.0 109.569 176.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 143.69 -24.07 2.14 Favored Glycine 0 N--CA 1.439 -1.145 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 -176.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . 0.436 HD13 ' HA ' ' A' 1633 ' ' THR . 93.8 mt -107.97 145.57 33.69 Favored 'General case' 0 N--CA 1.432 -1.33 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 47.9 m -131.0 152.78 49.94 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.56 ' HB3' HG23 ' A' 1574 ' ' VAL . 47.4 m-85 -58.84 132.09 52.91 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 115.723 -0.672 . . . . 0.0 112.009 177.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' 1635 ' ' THR . 59.0 mtpt -135.77 136.2 40.55 Favored 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.5 -177.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 26.0 m -111.81 122.63 48.32 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 99.2 t -111.14 112.23 39.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 178.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 53.7 mt -100.53 113.89 37.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 177.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 20.2 t -102.48 111.56 23.91 Favored 'General case' 0 C--N 1.286 -2.165 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.523 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 95.5 m-85 -88.92 110.4 21.06 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 28.3 m -95.94 141.12 15.84 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.774 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.202 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 34.7 t -63.27 98.83 0.16 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.437 -1.256 . . . . 0.0 111.29 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . 0.555 ' HA ' ' NE ' ' A' 1615 ' ' ARG . 1.9 mmp_? -131.13 96.75 21.31 Favored Pre-proline 0 C--N 1.301 -1.519 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.231 178.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . 0.442 ' HA ' ' HB3' ' A' 1643 ' ' PRO . 12.4 Cg_exo -71.44 4.05 3.2 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 123.519 2.813 . . . . 0.0 113.216 -178.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -59.57 -40.64 88.01 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 123.453 0.701 . . . . 0.0 110.947 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . 45.84 86.55 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.49 1.116 . . . . 0.0 113.789 176.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 177.97 -124.81 0.95 Allowed Glycine 0 C--N 1.296 -1.68 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 14.6 Cg_exo -70.99 2.75 3.89 Favored 'Trans proline' 0 N--CA 1.484 0.962 0 C-N-CA 123.191 2.594 . . . . 0.0 111.746 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' 1641 ' ' HIS . 17.8 p -83.24 -24.38 32.35 Favored 'General case' 0 N--CA 1.419 -1.993 0 C-N-CA 124.541 1.136 . . . . 0.0 110.243 177.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -77.4 64.95 2.86 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.861 -172.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -155.63 161.95 28.39 Favored Pre-proline 0 C--N 1.296 -1.719 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 176.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.453 ' HA ' ' O ' ' A' 1639 ' ' SER . 83.4 Cg_endo -90.77 148.1 3.99 Favored 'Trans proline' 0 N--CA 1.436 -1.89 0 C-N-CA 122.117 1.878 . . . . 0.0 112.762 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 24.6 mmt -121.67 143.35 49.39 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 173.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.9 tt -86.3 110.48 19.68 Favored 'General case' 0 C--N 1.309 -1.171 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -178.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 48.8 mm -92.73 -45.15 14.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 CA-C-O 120.941 0.4 . . . . 0.0 111.524 -173.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 21.3 t -142.02 141.26 32.83 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -177.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.455 HD22 ' HG ' ' A' 1636 ' ' LEU . 0.5 OUTLIER -121.03 95.5 4.72 Favored 'General case' 0 C--N 1.306 -1.298 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -178.358 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 16.5 t70 -86.64 105.87 17.2 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 55.1 mttp -77.16 -22.12 53.03 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.526 -175.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -77.81 -46.06 22.66 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -174.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . 0.436 ' HA ' HD13 ' A' 1604 ' ' LEU . 42.6 p -101.97 6.48 41.25 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 120.937 0.399 . . . . 0.0 111.14 178.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.42 ' HB3' ' CD2' ' A' 1606 ' ' TYR . 60.2 m 57.78 43.68 21.51 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.036 176.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' 1607 ' ' LYS . 32.2 m -114.2 122.59 47.25 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.469 -176.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.455 ' HG ' HD22 ' A' 1629 ' ' LEU . 6.3 mp -101.53 128.28 47.85 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.728 179.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -102.42 108.0 19.18 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.889 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -105.95 139.25 40.78 Favored 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . 0.453 ' O ' ' HA ' ' A' 1624 ' ' PRO . 21.3 t -119.83 118.65 31.35 Favored 'General case' 0 C--N 1.286 -2.192 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -102.21 142.39 33.53 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . 0.509 ' HB2' ' O ' ' A' 1621 ' ' THR . 54.6 m80 -109.21 106.16 15.91 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 -174.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 5.9 t -140.18 145.97 44.03 Favored Pre-proline 0 C--N 1.317 -0.845 0 CA-C-O 121.277 0.56 . . . . 0.0 111.11 -175.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . 0.442 ' HB3' ' HA ' ' A' 1616 ' ' PRO . 63.6 Cg_endo -75.08 -7.76 19.38 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 123.14 2.56 . . . . 0.0 111.924 175.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 82.6 mt -81.89 -10.85 59.17 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 120.915 0.388 . . . . 0.0 111.926 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -90.8 -0.34 57.69 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.983 0.897 . . . . 0.0 109.726 177.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 76.3 m -90.07 159.4 16.85 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 114.761 -1.108 . . . . 0.0 108.976 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -75.22 78.24 2.34 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 177.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 48.4 tp -63.82 104.38 0.68 Allowed 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.612 -177.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.285 -2.198 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 177.341 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 22.1 pttp -164.13 149.79 10.75 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 40.2 m 56.71 35.37 26.08 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 124.207 1.003 . . . . 0.0 113.018 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . 0.413 ' OD1' ' HG3' ' A' 1512 ' ' GLU . 8.7 p30 -101.92 -26.04 13.57 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.01 0.434 . . . . 0.0 110.202 177.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . 0.413 ' HG3' ' OD1' ' A' 1511 ' ' ASN . 45.6 mt-10 -97.81 133.7 41.96 Favored 'General case' 0 N--CA 1.424 -1.74 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.534 179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 13.3 p80 179.12 128.45 0.07 Allowed 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 125.276 1.43 . . . . 0.0 108.0 -177.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 38.7 t70 53.65 56.3 7.42 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 122.193 0.997 . . . . 0.0 110.005 -179.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -109.0 54.02 0.67 Allowed 'General case' 0 CA--C 1.493 -1.231 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.866 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . 0.428 ' HA ' ' HB2' ' A' 1581 ' ' LEU . 54.7 m 66.12 39.58 4.26 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-N 114.718 -1.128 . . . . 0.0 111.234 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' 1527 ' ' PHE . 14.3 pt20 -156.33 129.15 7.84 Favored 'General case' 0 N--CA 1.418 -2.068 0 CA-C-N 114.14 -1.391 . . . . 0.0 107.954 176.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 16.2 t -127.16 135.03 64.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 -176.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 29.4 m -90.83 116.01 28.33 Favored 'General case' 0 N--CA 1.419 -2.011 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -82.41 111.97 32.64 Favored Pre-proline 0 C--N 1.308 -1.236 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.22 -7.11 20.03 Favored 'Trans proline' 0 C--O 1.24 0.611 0 C-N-CA 122.813 2.342 . . . . 0.0 113.665 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 24.4 t -74.55 -49.24 22.67 Favored 'General case' 0 N--CA 1.433 -1.319 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 38.7 p -108.04 -23.5 11.97 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 92.67 20.68 33.62 Favored Glycine 0 N--CA 1.44 -1.091 0 C-N-CA 121.245 -0.503 . . . . 0.0 111.986 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -101.97 142.95 32.46 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.175 -0.61 . . . . 0.0 109.697 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 51.6 tp -88.98 120.38 30.35 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' 1517 ' ' GLN . 79.7 m-85 -99.33 106.88 19.03 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 177.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -130.09 152.29 49.7 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.444 -172.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 95.6 mt -123.82 28.16 6.99 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.913 179.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 20.6 m -68.19 -30.08 69.09 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.082 -177.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 30.1 t -70.11 -23.86 63.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.982 0.42 . . . . 0.0 110.338 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' 1552 ' ' ILE . 88.7 mt -98.09 1.38 47.57 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.227 -179.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . 0.474 ' HA ' ' O ' ' A' 1552 ' ' ILE . 32.0 t -84.3 142.38 30.25 Favored 'General case' 0 N--CA 1.427 -1.614 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 -178.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -168.92 140.73 6.32 Favored Glycine 0 N--CA 1.427 -1.92 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.465 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . 0.482 ' HB3' ' HG2' ' A' 1557 ' ' GLU . 15.8 mmt180 -65.68 -29.9 70.51 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 123.076 0.551 . . . . 0.0 112.346 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -82.54 -12.65 57.61 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.381 0.61 . . . . 0.0 110.152 178.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 55.31 -134.17 48.78 Favored Glycine 0 N--CA 1.441 -1.032 0 CA-C-N 114.673 -1.148 . . . . 0.0 112.948 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 84.5 t80 -152.03 136.37 16.75 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 175.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 23.6 m -100.92 108.69 20.51 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -101.42 106.92 18.12 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -93.91 104.06 16.13 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.222 0.534 . . . . 0.0 110.535 -177.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -87.94 117.19 26.63 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . 60.88 23.53 13.58 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 124.28 1.032 . . . . 0.0 110.207 -176.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 34.8 mmtp 69.26 -51.15 0.6 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.951 1.7 . . . . 0.0 112.933 -178.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -60.81 -37.08 93.06 Favored Glycine 0 C--O 1.246 0.905 0 O-C-N 123.373 0.421 . . . . 0.0 113.857 -177.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 5.2 m-90 -93.55 80.61 4.32 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-O 121.708 0.766 . . . . 0.0 110.382 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -78.82 100.1 1.7 Allowed Glycine 0 N--CA 1.434 -1.441 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.812 177.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . 0.563 ' HA ' ' O ' ' A' 1566 ' ' CYS . 98.0 t -88.39 107.01 17.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 CA-C-O 121.365 0.603 . . . . 0.0 110.168 179.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -89.76 104.59 17.14 Favored 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 177.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.7 ptp -121.6 142.54 50.01 Favored 'General case' 0 C--N 1.296 -1.735 0 C-N-CA 120.372 -0.531 . . . . 0.0 110.373 -178.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 48.1 t -110.82 132.21 54.39 Favored 'General case' 0 C--N 1.286 -2.181 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 173.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' 1533 ' ' SER . 50.4 mm -84.53 109.4 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.789 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 177.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 36.3 t 72.54 92.23 0.08 Allowed 'General case' 0 C--O 1.246 0.872 0 O-C-N 124.3 1.0 . . . . 0.0 111.01 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 119.99 -154.23 16.51 Favored Glycine 0 N--CA 1.428 -1.863 0 C-N-CA 120.216 -0.992 . . . . 0.0 112.314 176.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -111.02 150.69 28.94 Favored 'General case' 0 C--N 1.306 -1.325 0 C-N-CA 122.924 0.489 . . . . 0.0 110.067 -178.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -99.7 131.78 45.47 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -176.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . 0.482 ' HG2' ' HB3' ' A' 1535 ' ' ARG . 18.0 mm-40 -72.08 -13.81 61.68 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 123.199 0.312 . . . . 0.0 111.406 -178.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 10.7 m120 -87.01 -0.76 57.15 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.961 0.886 . . . . 0.0 109.004 176.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 72.3 m -121.12 163.9 27.09 Favored Pre-proline 0 C--N 1.298 -1.671 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.984 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' 1561 ' ' PRO . 72.9 Cg_exo -56.45 150.94 48.24 Favored 'Trans proline' 0 CA--C 1.55 1.315 0 C-N-CA 122.546 2.164 . . . . 0.0 110.95 174.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 33.9 Cg_exo -59.97 114.69 2.19 Favored 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 122.994 2.463 . . . . 0.0 111.869 -176.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 110.19 -12.17 31.36 Favored Glycine 0 N--CA 1.432 -1.581 0 CA-C-N 115.67 -0.696 . . . . 0.0 112.344 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 67.2 t -89.81 130.94 38.29 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.196 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -102.09 -26.51 7.4 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.807 -177.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -142.43 129.94 21.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.716 0.293 . . . . 0.0 111.064 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . 0.563 ' O ' ' HA ' ' A' 1548 ' ' VAL . 76.0 m -121.43 133.81 55.08 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.074 178.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 90.2 t80 -109.56 139.13 44.95 Favored 'General case' 0 C--N 1.306 -1.303 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 86.61 164.47 39.83 Favored Glycine 0 N--CA 1.425 -2.077 0 C-N-CA 120.531 -0.843 . . . . 0.0 112.221 176.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -73.85 -19.59 60.69 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 17.3 m -78.52 -6.78 56.41 Favored 'General case' 0 CA--C 1.553 1.082 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.108 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 65.2 48.38 2.2 Favored 'General case' 0 C--N 1.357 0.933 0 C-N-CA 124.004 0.922 . . . . 0.0 111.404 176.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 74.8 mt -73.96 121.08 24.29 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.973 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.184 -178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 10.1 p -63.76 112.08 2.71 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 121.334 0.587 . . . . 0.0 112.483 -178.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . . . . . . . . . 26.9 m -116.98 18.13 7.26 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-O 121.915 0.865 . . . . 0.0 110.07 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . -173.71 122.69 0.92 Allowed Glycine 0 N--CA 1.422 -2.275 0 CA-C-N 114.924 -1.034 . . . . 0.0 111.749 178.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 25.5 tptp -87.45 141.19 28.82 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 106.429 -1.693 . . . . 0.0 106.429 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -60.91 101.85 0.17 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -174.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -125.31 164.51 20.19 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 177.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 20.0 pttp -133.06 26.74 4.24 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.77 0.795 . . . . 0.0 110.278 -176.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -77.29 94.67 4.2 Favored 'General case' 0 C--O 1.245 0.83 0 CA-C-N 114.539 -1.209 . . . . 0.0 110.6 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.518 HD21 ' HB3' ' A' 1588 ' ' LEU . 3.1 tt -98.34 129.39 45.01 Favored 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 177.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 83.1 mtm180 -128.46 142.99 50.92 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 40.7 p90 -95.53 105.86 17.88 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 176.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 6.8 p -119.89 109.94 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.303 0 CA-C-O 121.307 0.575 . . . . 0.0 111.289 -177.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 60.78 44.3 11.19 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.109 0.964 . . . . 0.0 110.657 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 65.31 17.34 10.96 Favored 'General case' 0 N--CA 1.482 1.149 0 CA-C-N 114.727 -1.124 . . . . 0.0 112.025 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 99.8 t -115.58 128.44 72.81 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.614 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.518 ' HB3' HD21 ' A' 1581 ' ' LEU . 75.6 mt -83.34 128.2 34.3 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 177.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -118.65 134.75 54.88 Favored 'General case' 0 C--N 1.286 -2.181 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.049 -175.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 42.8 mt -119.65 131.94 55.57 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 170.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 5.3 p -131.99 123.45 51.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 CA-C-O 121.49 0.662 . . . . 0.0 110.965 -178.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -112.36 105.84 14.22 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 107.713 -1.217 . . . . 0.0 107.713 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 22.5 pttp -108.77 177.16 4.86 Favored 'General case' 0 C--N 1.299 -1.626 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.44 -178.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 36.2 m-20 64.97 52.58 1.53 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.917 1.287 . . . . 0.0 113.225 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -88.11 -123.52 1.98 Allowed Glycine 0 N--CA 1.436 -1.331 0 N-CA-C 110.329 -1.108 . . . . 0.0 110.329 174.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 24.3 m -80.0 151.41 73.19 Favored Pre-proline 0 C--N 1.293 -1.866 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -75.09 133.62 16.67 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 122.237 1.958 . . . . 0.0 110.143 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 57.3 m -72.38 123.2 89.19 Favored Pre-proline 0 C--N 1.304 -1.378 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.293 -177.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -66.21 -15.74 49.4 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.543 2.162 . . . . 0.0 112.656 -178.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 2.9 p -77.44 -31.08 53.67 Favored 'General case' 0 N--CA 1.429 -1.52 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.766 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . 0.488 ' HB3' HD12 ' A' 1604 ' ' LEU . 23.9 tptm -153.91 112.49 3.64 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 -179.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 57.2 m -64.22 130.03 42.28 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.103 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 113.62 -29.55 7.78 Favored Glycine 0 N--CA 1.432 -1.599 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . 0.488 HD12 ' HB3' ' A' 1601 ' ' LYS . 82.8 mt -85.41 146.48 26.96 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 9.1 t -134.84 147.18 49.85 Favored 'General case' 0 N--CA 1.412 -2.361 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 -178.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -64.38 135.73 56.43 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-N 115.228 -0.897 . . . . 0.0 111.269 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -141.91 143.63 33.39 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.847 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 3.3 p -121.12 135.01 55.26 Favored 'General case' 0 C--N 1.288 -2.067 0 CA-C-O 121.213 0.53 . . . . 0.0 111.693 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 93.3 t -120.95 117.61 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.181 0 CA-C-N 115.496 -0.774 . . . . 0.0 108.951 -178.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 54.9 mt -105.22 115.65 47.48 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 177.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 23.0 t -100.21 104.79 16.32 Favored 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 123.643 0.777 . . . . 0.0 109.192 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.514 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 87.8 m-85 -88.25 99.31 12.13 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 21.8 t -91.5 138.26 20.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -177.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . 0.648 ' HA ' ' O ' ' A' 1642 ' ' THR . 46.8 t -76.55 133.27 39.76 Favored 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.519 -176.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 -150.3 100.08 3.2 Favored Pre-proline 0 N--CA 1.427 -1.591 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 175.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -59.48 -32.97 97.21 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 123.278 2.652 . . . . 0.0 111.467 178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -83.45 41.58 0.78 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.929 0.871 . . . . 0.0 110.922 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -72.66 157.37 37.67 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.841 -177.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -162.55 -120.38 0.53 Allowed Glycine 0 C--N 1.284 -2.347 0 N-CA-C 107.329 -2.308 . . . . 0.0 107.329 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -69.8 1.99 3.96 Favored 'Trans proline' 0 CA--C 1.55 1.303 0 CA-C-N 120.44 2.12 . . . . 0.0 111.86 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -16.51 64.19 Favored 'General case' 0 N--CA 1.441 -0.904 0 C-N-CA 126.188 1.795 . . . . 0.0 112.761 -178.336 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 9.4 p30 -82.66 62.59 6.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 122.98 1.371 . . . . 0.0 110.613 179.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 15.9 ptp180 -137.88 143.72 41.13 Favored Pre-proline 0 C--N 1.297 -1.716 0 CA-C-N 114.174 -1.375 . . . . 0.0 107.889 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -78.01 122.09 5.64 Favored 'Trans proline' 0 N--CA 1.445 -1.372 0 C-N-CA 121.344 1.363 . . . . 0.0 110.233 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 87.2 mtp -121.4 136.18 54.99 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.2 tt -81.42 111.31 17.65 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 -178.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 50.2 mm -93.84 -39.36 10.58 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.324 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.985 -175.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 74.0 m -148.63 134.41 18.91 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 121.07 0.462 . . . . 0.0 111.51 178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 1.5 tm? -106.66 120.03 40.88 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 178.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -117.87 103.66 10.18 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -84.04 -10.12 58.11 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -177.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -72.26 -48.09 45.24 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.5 179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 24.8 p -99.8 -0.96 38.79 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-O 121.435 0.635 . . . . 0.0 110.511 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 86.4 m 60.8 42.06 13.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 114.079 -1.419 . . . . 0.0 110.276 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 19.0 m -105.3 122.29 45.65 Favored 'General case' 0 N--CA 1.427 -1.575 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.282 -177.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 5.2 mp -100.31 116.35 32.08 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 175.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -92.53 107.91 19.57 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.838 -178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -107.36 143.61 35.42 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 16.3 t -124.99 144.64 50.28 Favored 'General case' 0 N--CA 1.416 -2.137 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 177.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -131.98 141.69 49.36 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 69.3 m80 -110.4 113.95 27.0 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 120.38 -0.528 . . . . 0.0 109.675 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . 0.648 ' O ' ' HA ' ' A' 1614 ' ' CYS . 10.0 t -139.93 139.68 22.23 Favored Pre-proline 0 C--N 1.31 -1.135 0 CA-C-O 121.159 0.504 . . . . 0.0 110.193 -176.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -74.61 -8.7 20.76 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.729 2.286 . . . . 0.0 111.713 176.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.94 -15.5 62.6 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.015 0.526 . . . . 0.0 111.065 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -76.9 -7.82 56.23 Favored 'General case' 0 C--O 1.246 0.873 0 CA-C-O 122.053 0.93 . . . . 0.0 109.987 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 84.9 m -117.95 161.27 20.06 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 173.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -82.37 74.19 9.36 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 122.265 1.031 . . . . 0.0 110.212 179.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 58.7 tp -141.03 107.75 5.36 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-N 113.717 -1.583 . . . . 0.0 108.49 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.698 0 N-CA-C 109.014 -0.735 . . . . 0.0 109.014 179.844 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 99.2 mttt -80.41 -44.09 19.92 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.291 0.567 . . . . 0.0 109.605 176.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 40.6 t -136.21 128.95 30.86 Favored 'General case' 0 N--CA 1.424 -1.747 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -89.57 -10.36 46.37 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -84.15 126.38 33.05 Favored 'General case' 0 N--CA 1.438 -1.034 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 176.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 72.1 m80 -111.41 80.65 1.34 Allowed 'General case' 0 C--N 1.288 -2.086 0 CA-C-O 121.12 0.486 . . . . 0.0 111.232 -176.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -131.43 11.62 4.92 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 173.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . 0.573 ' HA ' ' O ' ' A' 1579 ' ' LYS . 9.5 p-10 -80.76 54.61 2.18 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 125.865 1.666 . . . . 0.0 112.108 -175.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . 0.437 ' HA ' ' HB2' ' A' 1581 ' ' LEU . 78.2 m 78.37 24.93 0.6 Allowed 'General case' 0 CA--C 1.502 -0.888 0 CA-C-N 114.572 -1.194 . . . . 0.0 112.148 -178.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.643 ' HA ' ' O ' ' A' 1527 ' ' PHE . 17.5 pt20 -143.33 128.96 19.2 Favored 'General case' 0 N--CA 1.419 -2.025 0 CA-C-N 113.275 -1.784 . . . . 0.0 107.178 172.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 71.3 t -136.09 124.17 36.04 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.321 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 6.9 m -96.14 114.24 25.92 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 179.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -90.77 115.38 64.12 Favored Pre-proline 0 C--N 1.304 -1.382 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 177.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -72.51 -17.59 26.58 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 122.8 2.334 . . . . 0.0 113.865 -173.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 16.5 m -79.99 -36.47 35.97 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.256 -177.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 17.5 p -104.86 -15.69 15.1 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 121.127 0.489 . . . . 0.0 112.064 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 73.46 20.13 79.8 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 -177.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -101.2 132.44 46.7 Favored 'General case' 0 N--CA 1.429 -1.506 0 CA-C-N 115.212 -0.494 . . . . 0.0 110.657 -173.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . . . . . . . . . 69.3 tp -96.53 121.59 38.51 Favored 'General case' 0 N--CA 1.419 -1.983 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 176.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.643 ' O ' ' HA ' ' A' 1517 ' ' GLN . 96.4 m-85 -85.98 106.33 17.08 Favored 'General case' 0 C--N 1.293 -1.882 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 177.05 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -105.13 135.06 47.19 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 123.688 0.617 . . . . 0.0 110.026 175.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 74.1 mt -115.79 15.81 16.36 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 167.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 14.2 m -63.27 -30.48 71.62 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 113.942 -1.481 . . . . 0.0 112.052 -176.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 18.4 m -86.81 -1.37 57.72 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.376 0.608 . . . . 0.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 74.9 mt -116.88 7.48 13.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.769 177.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 23.0 t -91.97 135.46 33.93 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.156 -177.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -159.36 141.72 7.75 Favored Glycine 0 N--CA 1.426 -2.005 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 178.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . 0.548 ' O ' ' HA ' ' A' 1556 ' ' ASN . 22.9 mtm180 -83.57 -15.19 50.11 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -87.47 -35.23 18.36 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 172.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . . . . . . . . . . . 71.01 -156.69 53.33 Favored Glycine 0 N--CA 1.429 -1.829 0 CA-C-N 113.901 -1.5 . . . . 0.0 113.408 173.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -117.33 135.76 53.62 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 19.6 m -102.82 107.09 17.82 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -88.61 138.09 31.73 Favored 'General case' 0 C--N 1.305 -1.358 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -86.64 117.36 25.35 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.394 -176.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . 0.413 ' HB3' ' HB2' ' A' 1546 ' ' TRP . 89.2 t80 -98.52 100.68 11.95 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 176.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . 67.39 -78.51 0.04 OUTLIER 'General case' 0 C--O 1.246 0.91 0 C-N-CA 124.841 1.256 . . . . 0.0 110.197 -176.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' 1544 ' ' LYS . 15.5 tptm 178.98 125.63 0.06 Allowed 'General case' 0 N--CA 1.44 -0.925 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 173.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 109.94 -44.59 1.47 Allowed Glycine 0 C--N 1.301 -1.393 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . 0.413 ' HB2' ' HB3' ' A' 1542 ' ' TYR . 23.3 m-90 -86.77 107.34 18.22 Favored 'General case' 0 C--N 1.306 -1.289 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . -100.39 126.55 8.96 Favored Glycine 0 N--CA 1.42 -2.375 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 42.0 t -96.7 105.25 16.85 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.841 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -82.05 107.41 14.73 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 23.8 ptp -112.23 111.35 22.18 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-O 121.204 0.526 . . . . 0.0 110.453 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . . . . . . . . . 39.3 t -89.94 111.92 23.14 Favored 'General case' 0 N--CA 1.425 -1.679 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 175.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 65.6 mt -81.61 112.55 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.739 0 C-N-CA 120.426 -0.51 . . . . 0.0 109.726 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 73.1 m 71.61 24.15 3.61 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.935 1.294 . . . . 0.0 113.951 177.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . -154.93 -174.32 24.73 Favored Glycine 0 N--CA 1.426 -1.996 0 C-N-CA 119.704 -1.236 . . . . 0.0 112.368 -178.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -101.89 123.83 46.49 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 123.435 0.694 . . . . 0.0 109.991 177.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.548 ' HA ' ' O ' ' A' 1535 ' ' ARG . 40.1 t30 -66.32 125.15 24.7 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.432 0.634 . . . . 0.0 111.836 -176.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -77.06 -14.53 59.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.371 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 14.4 m120 -91.58 9.74 30.9 Favored 'General case' 0 C--O 1.246 0.919 0 CA-C-O 121.707 0.765 . . . . 0.0 110.922 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 94.9 m -144.39 174.0 3.9 Favored Pre-proline 0 C--N 1.305 -1.355 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 177.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' 1561 ' ' PRO . 71.0 Cg_exo -57.65 133.67 58.03 Favored 'Trans proline' 0 C--O 1.249 1.043 0 C-N-CA 121.546 1.497 . . . . 0.0 111.11 173.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' 1560 ' ' PRO . 32.2 Cg_exo -59.79 104.84 0.24 Allowed 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.851 2.367 . . . . 0.0 111.052 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 149.24 -25.62 1.25 Allowed Glycine 0 C--N 1.298 -1.529 0 N-CA-C 109.068 -1.613 . . . . 0.0 109.068 -177.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 60.7 t -87.56 133.93 29.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 175.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -101.23 -32.41 5.25 Favored Glycine 0 CA--C 1.501 -0.824 0 C-N-CA 120.512 -0.851 . . . . 0.0 111.873 -177.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . . . . . . . . . . . -134.43 135.95 42.91 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 30.3 m -124.2 133.57 53.51 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 81.1 t80 -105.47 112.75 25.96 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -177.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 90.28 162.67 38.48 Favored Glycine 0 N--CA 1.431 -1.689 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -74.46 -6.7 49.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.537 0.684 . . . . 0.0 110.653 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.46 0.65 28.61 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.014 178.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 43.4 mtp180 64.6 29.21 13.16 Favored 'General case' 0 C--N 1.357 0.934 0 C-N-CA 124.357 1.063 . . . . 0.0 110.72 173.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 64.0 mt -73.41 125.35 32.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.025 -177.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 6.0 p -65.44 122.54 17.42 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -176.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.583 HG23 ' HB3' ' A' 1606 ' ' TYR . 14.3 p -122.43 29.77 2.48 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.049 0 CA-C-O 123.291 1.519 . . . . 0.0 107.683 176.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 152.79 135.19 2.15 Favored Glycine 0 N--CA 1.423 -2.184 0 CA-C-N 113.886 -1.507 . . . . 0.0 112.776 177.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . . . . . . . . . 22.7 tptm -75.89 158.06 32.52 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 106.556 -1.646 . . . . 0.0 106.556 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -70.15 76.45 0.51 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.217 0.532 . . . . 0.0 110.848 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 14.8 m120 -86.74 145.17 26.76 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.688 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . 0.573 ' O ' ' HA ' ' A' 1515 ' ' ASP . 27.7 mtpp -128.07 30.06 5.3 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -176.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -90.65 100.7 13.5 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.575 HD11 ' HB3' ' A' 1588 ' ' LEU . 55.7 tp -91.32 127.26 36.68 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 177.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 53.3 mtp85 -120.15 138.98 53.28 Favored 'General case' 0 C--N 1.306 -1.301 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.424 178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 65.1 t80 -121.79 111.01 16.61 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 15.9 m -139.67 142.26 33.01 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 23.1 t70 42.9 48.75 5.08 Favored 'General case' 0 N--CA 1.498 1.949 0 C-N-CA 124.746 1.218 . . . . 0.0 113.054 175.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 57.22 37.09 28.15 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -179.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 6.4 p -143.05 134.15 23.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.35 0 CA-C-O 121.099 0.476 . . . . 0.0 110.209 174.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.575 ' HB3' HD11 ' A' 1581 ' ' LEU . 80.0 mt -92.74 124.88 37.07 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 175.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -114.11 125.26 53.76 Favored 'General case' 0 C--N 1.284 -2.28 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.051 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 46.5 mt -114.63 124.05 50.86 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 173.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 13.4 p -111.61 133.06 58.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -118.41 93.7 4.21 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 176.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 21.9 pttp -106.04 167.69 9.63 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.458 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 30.0 t70 68.76 112.43 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.885 1.274 . . . . 0.0 111.439 -174.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -159.15 -142.92 3.52 Favored Glycine 0 N--CA 1.428 -1.84 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 22.1 t -72.43 138.94 81.02 Favored Pre-proline 0 C--N 1.3 -1.571 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 177.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 157.95 58.56 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.684 2.256 . . . . 0.0 111.895 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . 0.561 ' H ' ' HB2' ' A' 1604 ' ' LEU . 62.3 m -119.18 153.4 53.19 Favored Pre-proline 0 C--N 1.298 -1.631 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -177.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -79.6 3.02 7.89 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.739 2.293 . . . . 0.0 111.559 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 10.3 m -70.41 -8.51 51.41 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 125.02 1.328 . . . . 0.0 112.2 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 46.2 mmtm 71.51 -61.98 0.47 Allowed 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 125.111 1.364 . . . . 0.0 112.727 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 32.9 m -93.46 128.6 39.62 Favored 'General case' 0 C--N 1.301 -1.52 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 71.58 46.73 38.05 Favored Glycine 0 CA--C 1.499 -0.932 0 C-N-CA 120.436 -0.888 . . . . 0.0 111.009 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . 0.561 ' HB2' ' H ' ' A' 1598 ' ' CYS . 0.6 OUTLIER -87.44 86.3 7.22 Favored 'General case' 0 N--CA 1.425 -1.682 0 CA-C-O 122.333 1.063 . . . . 0.0 112.789 -176.814 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 30.9 m -167.41 119.85 0.92 Allowed 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.819 178.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.583 ' HB3' HG23 ' A' 1574 ' ' VAL . 44.9 m-85 -67.18 116.69 8.26 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 171.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -137.17 156.04 48.82 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.745 -175.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 19.6 m -125.07 140.32 53.0 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.629 -176.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 88.9 t -124.33 113.44 36.53 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.173 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 175.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 54.9 mt -102.97 116.41 46.66 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 11.1 t -104.44 107.51 18.48 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.532 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 86.0 m-85 -92.87 99.48 12.13 Favored 'General case' 0 CA--C 1.506 -0.747 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 66.4 t -86.02 134.01 28.3 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.329 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.897 -175.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' 1645 ' ' ALA . 17.1 t -56.74 119.4 6.11 Favored 'General case' 0 C--O 1.238 0.493 0 O-C-N 124.286 0.991 . . . . 0.0 111.103 177.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . 0.413 ' HD2' ' HA ' ' A' 1615 ' ' ARG . 25.8 tpt180 -140.48 94.23 8.5 Favored Pre-proline 0 N--CA 1.428 -1.537 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 175.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -69.1 -16.16 40.11 Favored 'Trans proline' 0 N--CA 1.483 0.885 0 C-N-CA 123.12 2.546 . . . . 0.0 112.345 -178.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -110.7 40.82 1.92 Allowed 'General case' 0 C--N 1.306 -1.299 0 CA-C-O 121.563 0.697 . . . . 0.0 109.685 -179.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . 0.404 ' HB1' ' OD1' ' A' 1622 ' ' ASN . . . -71.04 169.47 14.88 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.107 -0.951 . . . . 0.0 112.765 -176.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 172.0 -112.35 0.44 Allowed Glycine 0 C--N 1.301 -1.364 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -176.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -76.78 39.18 0.68 Allowed 'Trans proline' 0 CA--C 1.556 1.597 0 C-N-CA 122.153 1.902 . . . . 0.0 111.556 173.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 23.7 p -121.28 0.86 10.16 Favored 'General case' 0 C--N 1.313 -0.997 0 C-N-CA 124.479 1.112 . . . . 0.0 109.606 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . 0.404 ' OD1' ' HB1' ' A' 1618 ' ' ALA . 1.8 m-20 -101.2 52.59 0.84 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.083 -170.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -130.41 134.34 25.95 Favored Pre-proline 0 C--N 1.292 -1.931 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -69.06 121.54 8.38 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 121.219 1.279 . . . . 0.0 110.171 178.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 76.4 mtm -123.28 140.25 53.21 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.898 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.5 tt -84.51 117.34 23.62 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -177.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.0 mm -90.37 -53.55 8.9 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 CA-C-O 121.021 0.438 . . . . 0.0 110.635 -177.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 37.6 m -137.59 131.84 32.21 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.359 -176.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . 0.435 HD22 ' HG ' ' A' 1636 ' ' LEU . 0.8 OUTLIER -105.95 104.45 14.17 Favored 'General case' 0 C--N 1.31 -1.135 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 179.69 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 30.3 t70 -102.36 110.79 22.85 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 120.247 -0.581 . . . . 0.0 111.339 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -85.53 -1.44 57.09 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 177.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -72.75 -53.29 12.02 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 178.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 11.1 p -112.76 14.56 19.95 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 121.471 0.653 . . . . 0.0 110.601 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 76.3 m 50.93 45.59 27.38 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 114.083 -1.417 . . . . 0.0 111.849 177.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 21.4 m -106.54 120.15 41.18 Favored 'General case' 0 N--CA 1.413 -2.287 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.987 -177.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . 0.435 ' HG ' HD22 ' A' 1629 ' ' LEU . 5.4 mp -98.35 118.04 34.11 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 176.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -93.2 112.37 24.29 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.779 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -110.07 144.51 38.55 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 21.3 t -125.75 146.62 49.69 Favored 'General case' 0 N--CA 1.417 -2.118 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 4.7 t-105 -136.06 144.14 45.05 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . . . . . . . . . 52.6 m80 -112.41 115.13 28.22 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 8.8 t -140.19 142.03 28.54 Favored Pre-proline 0 N--CA 1.432 -1.349 0 CA-C-O 121.097 0.475 . . . . 0.0 110.158 -176.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -75.59 -6.82 18.09 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.944 2.429 . . . . 0.0 110.843 175.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.3 mt -78.68 -8.05 58.31 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.005 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' 1614 ' ' CYS . . . -104.79 25.8 9.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.448 0.642 . . . . 0.0 109.854 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 83.7 m -113.93 133.07 55.7 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.357 -176.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -75.92 75.03 2.84 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-O 122.405 1.098 . . . . 0.0 110.057 175.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 81.9 mt -97.59 135.11 39.88 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.289 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.845 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 178.445 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 95.1 mmm . . . . . 0 CA--C 1.504 -0.809 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -147.47 -75.32 0.19 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 175.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 23.3 m -132.43 88.77 2.57 Favored 'General case' 0 N--CA 1.421 -1.915 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -178.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -79.43 -13.27 59.7 Favored 'General case' 0 CA--C 1.511 -0.549 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.541 -177.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -77.02 142.18 40.01 Favored 'General case' 0 N--CA 1.422 -1.858 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.815 -178.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -73.61 109.82 7.41 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 114.474 -1.239 . . . . 0.0 110.601 -177.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -70.88 95.77 1.19 Allowed 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 172.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -63.41 -66.56 0.52 Allowed 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 114.027 -1.442 . . . . 0.0 109.391 -174.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . 0.702 ' SG ' ' HB2' ' A' 1529 ' ' LEU . 7.9 t 53.42 54.59 9.89 Favored 'General case' 0 C--O 1.25 1.1 0 O-C-N 124.29 0.993 . . . . 0.0 110.616 174.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.585 ' HB2' HD11 ' A' 1526 ' ' LEU . 10.2 pt20 -163.28 138.14 6.37 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.268 -176.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 59.8 t -122.88 127.17 74.7 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 177.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 28.7 m -98.26 111.76 23.98 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 176.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 47.4 t30 -83.95 109.39 18.46 Favored Pre-proline 0 C--N 1.311 -1.087 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 178.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.36 -14.77 40.96 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.452 2.768 . . . . 0.0 115.2 -169.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 13.7 p -76.19 -41.09 50.69 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-O 121.19 0.519 . . . . 0.0 111.046 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 30.7 p -103.25 -18.5 14.86 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-O 121.203 0.525 . . . . 0.0 111.69 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 79.84 17.61 74.61 Favored Glycine 0 N--CA 1.442 -0.947 0 CA-C-N 115.624 -0.717 . . . . 0.0 111.405 179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 32.7 m170 -97.43 136.29 38.09 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.077 0.465 . . . . 0.0 112.103 -175.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . 0.585 HD11 ' HB2' ' A' 1517 ' ' GLN . 52.7 tp -96.53 121.13 38.01 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.785 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -102.07 106.89 17.84 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 107.227 -1.397 . . . . 0.0 107.227 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -124.07 147.91 47.5 Favored 'General case' 0 C--N 1.3 -1.572 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.115 -174.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . 0.702 ' HB2' ' SG ' ' A' 1516 ' ' CYS . 97.2 mt -118.31 29.21 7.9 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.666 179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 5.5 m -52.7 -35.48 55.67 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 124.498 1.119 . . . . 0.0 112.58 -176.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 19.6 m -69.19 -17.42 63.8 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-O 120.924 0.393 . . . . 0.0 111.893 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 73.2 mt -110.18 -17.39 13.55 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.816 0.341 . . . . 0.0 110.399 -178.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 23.0 t -69.19 117.07 10.37 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.778 -176.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -173.64 154.44 19.93 Favored Glycine 0 N--CA 1.42 -2.425 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . 0.538 ' O ' ' HA ' ' A' 1556 ' ' ASN . 51.6 mtp180 -71.62 -22.65 61.68 Favored 'General case' 0 C--N 1.314 -0.957 0 C-N-CA 122.824 0.45 . . . . 0.0 111.813 -176.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -77.03 -24.17 52.08 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.044 0.449 . . . . 0.0 110.162 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . 0.592 ' HA3' ' O ' ' A' 1550 ' ' MET . . . 54.92 -110.66 1.79 Allowed Glycine 0 CA--C 1.493 -1.319 0 CA-C-N 114.602 -1.181 . . . . 0.0 112.898 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 41.9 t80 -152.42 140.1 19.85 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 29.4 m -111.09 114.11 27.14 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 178.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -129.03 130.98 47.3 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.704 -177.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -102.68 134.94 45.23 Favored 'General case' 0 C--N 1.293 -1.862 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 177.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -133.2 169.98 16.1 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -59.75 128.05 35.0 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.681 178.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 11.0 mptt 64.89 18.96 11.71 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.705 1.202 . . . . 0.0 111.941 -178.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . -162.8 63.61 0.26 Allowed Glycine 0 CA--C 1.483 -1.92 0 N-CA-C 108.75 -1.74 . . . . 0.0 108.75 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 75.4 m95 -79.9 68.06 5.89 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 114.984 -0.608 . . . . 0.0 111.222 -174.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . 146.94 89.91 0.09 OUTLIER Glycine 0 N--CA 1.425 -2.063 0 N-CA-C 110.498 -1.041 . . . . 0.0 110.498 174.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 48.1 t -113.12 114.07 45.86 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.972 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 177.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' 1565 ' ' ALA . 89.1 m-85 -103.45 104.36 14.43 Favored 'General case' 0 C--N 1.293 -1.876 0 N-CA-C 107.913 -1.144 . . . . 0.0 107.913 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . 0.592 ' O ' ' HA3' ' A' 1537 ' ' GLY . 23.1 ptp -113.85 141.5 47.25 Favored 'General case' 0 C--N 1.29 -1.999 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 -179.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . 0.434 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 20.2 t -97.94 161.27 13.81 Favored 'General case' 0 C--N 1.294 -1.842 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 175.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 49.4 mm -119.26 103.59 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.681 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 76.3 m 70.21 37.63 1.6 Allowed 'General case' 0 C--N 1.317 -0.824 0 O-C-N 124.842 1.339 . . . . 0.0 112.95 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . -178.37 -150.32 8.65 Favored Glycine 0 N--CA 1.431 -1.684 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.315 176.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . 0.413 ' HB3' ' HB2' ' A' 1577 ' ' ALA . 0.0 OUTLIER -104.59 152.74 22.06 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 122.76 0.424 . . . . 0.0 110.033 175.839 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . 0.538 ' HA ' ' O ' ' A' 1535 ' ' ARG . 25.9 t-20 -91.36 129.07 37.4 Favored 'General case' 0 C--N 1.306 -1.295 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.016 -176.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -75.0 -10.57 59.6 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -175.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 17.3 m120 -91.48 -10.94 39.0 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 175.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 74.0 m -102.38 165.87 13.04 Favored Pre-proline 0 C--N 1.303 -1.432 0 CA-C-N 114.632 -1.167 . . . . 0.0 110.145 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -60.21 140.87 94.34 Favored 'Trans proline' 0 CA--C 1.546 1.087 0 C-N-CA 122.201 1.934 . . . . 0.0 110.521 171.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -56.62 104.5 0.14 Allowed 'Trans proline' 0 N--CA 1.478 0.605 0 C-N-CA 123.654 2.902 . . . . 0.0 112.974 -178.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . . . . . . . . . . . 131.96 -22.2 4.31 Favored Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 110.703 -0.959 . . . . 0.0 110.703 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 90.9 t -87.79 130.33 37.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -90.05 -27.14 22.09 Favored Glycine 0 N--CA 1.438 -1.218 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.751 -177.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' 1549 ' ' TYR . . . -153.71 138.38 16.96 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-O 120.758 0.313 . . . . 0.0 110.908 -179.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 86.0 m -121.4 138.32 54.32 Favored 'General case' 0 C--N 1.305 -1.328 0 C-N-CA 122.954 0.502 . . . . 0.0 110.157 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 88.2 t80 -112.37 113.45 25.65 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 95.94 167.62 34.71 Favored Glycine 0 C--N 1.31 -0.879 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.936 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -78.67 -7.48 57.71 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 11.7 m -89.06 -3.75 58.58 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 173.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 59.55 45.91 12.75 Favored 'General case' 0 CA--C 1.504 -0.792 0 C-N-CA 125.957 1.703 . . . . 0.0 113.038 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 95.5 mt -60.43 114.76 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 174.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 34.6 p -64.71 122.64 17.34 Favored 'General case' 0 N--CA 1.434 -1.261 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.015 -177.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.49 HG23 ' HB3' ' A' 1606 ' ' TYR . 14.9 p -109.51 27.37 2.13 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 CA-C-O 122.559 1.171 . . . . 0.0 108.762 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 151.4 150.55 5.36 Favored Glycine 0 N--CA 1.43 -1.723 0 CA-C-N 114.732 -1.122 . . . . 0.0 114.354 173.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.5 ' HE2' ' O ' ' A' 1594 ' ' ASP . 75.4 mmtt -81.79 154.53 25.89 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 176.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . 0.413 ' HB2' ' HB3' ' A' 1555 ' ' GLU . . . -66.97 147.48 53.17 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.605 -177.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 9.1 p30 -161.28 150.34 16.34 Favored 'General case' 0 C--N 1.312 -1.057 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 22.1 pttp -128.96 10.58 5.94 Favored 'General case' 0 C--N 1.312 -1.025 0 O-C-N 123.953 0.783 . . . . 0.0 111.043 -175.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -100.14 115.78 30.62 Favored 'General case' 0 N--CA 1.437 -1.124 0 CA-C-O 121.298 0.571 . . . . 0.0 111.343 -178.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' 1588 ' ' LEU . 79.0 mt -82.2 138.6 34.63 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-N 115.03 -0.987 . . . . 0.0 109.506 176.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -107.62 112.83 25.74 Favored 'General case' 0 C--N 1.293 -1.863 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 175.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . . . . . . . . . 24.2 t80 -92.68 100.18 12.73 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . 0.418 ' O ' HG22 ' A' 1587 ' ' VAL . 14.8 m -133.31 135.37 56.41 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.202 -177.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 56.45 34.64 24.61 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.439 0.696 . . . . 0.0 112.479 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . . . . . . . . . 25.8 mp0 60.78 30.65 19.81 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 115.29 -0.868 . . . . 0.0 113.245 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' 1584 ' ' VAL . 22.2 m -135.04 152.2 32.24 Favored 'Isoleucine or valine' 0 C--O 1.244 0.806 0 N-CA-C 108.064 -1.087 . . . . 0.0 108.064 173.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.51 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 79.3 mt -98.0 122.54 41.25 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 177.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -108.22 124.05 49.69 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.987 -178.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . 0.434 ' HG ' HD23 ' A' 1581 ' ' LEU . 53.9 mt -115.91 123.48 48.2 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 170.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 7.5 p -121.06 107.2 19.89 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 CA-C-O 122.193 0.997 . . . . 0.0 111.126 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -89.85 96.86 10.88 Favored 'General case' 0 C--N 1.287 -2.132 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 177.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . . . . . . . . . 58.5 pttt -115.03 179.41 3.96 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.122 -175.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . 0.5 ' O ' ' HE2' ' A' 1576 ' ' LYS . 62.6 m-20 62.6 43.04 7.9 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.126 1.37 . . . . 0.0 110.97 178.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -83.07 -118.93 0.63 Allowed Glycine 0 N--CA 1.437 -1.297 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.128 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . . . . . . . . . 32.1 t -86.06 132.98 41.99 Favored Pre-proline 0 C--N 1.3 -1.562 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -63.17 120.93 8.58 Favored 'Trans proline' 0 C--O 1.254 1.275 0 C-N-CA 122.867 2.378 . . . . 0.0 110.707 175.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 61.2 m -65.09 117.07 35.86 Favored Pre-proline 0 C--N 1.312 -1.022 0 C-N-CA 123.716 0.806 . . . . 0.0 111.116 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -59.22 -35.12 98.07 Favored 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 123.399 2.732 . . . . 0.0 112.938 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 23.3 t -89.36 -44.88 9.89 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 178.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -92.84 66.92 4.36 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.283 0.563 . . . . 0.0 109.831 -179.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 34.9 m -59.74 112.78 1.95 Allowed 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.495 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 123.13 -7.53 9.22 Favored Glycine 0 N--CA 1.427 -1.964 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -178.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 96.4 mt -123.06 158.97 29.42 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-O 121.236 0.541 . . . . 0.0 110.021 178.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 11.7 p -128.12 145.56 50.97 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.164 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.49 ' HB3' HG23 ' A' 1574 ' ' VAL . 84.3 m-85 -63.73 128.19 34.72 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.111 178.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -136.89 145.22 44.09 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.126 -177.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 6.8 p -119.23 131.36 55.8 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.521 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 62.0 t -113.05 111.55 36.61 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.198 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 58.9 mt -102.4 112.2 34.85 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 15.4 m -105.75 116.63 32.28 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.034 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.51 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 80.7 m-85 -90.42 107.51 19.2 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' 1641 ' ' HIS . 22.3 t -102.08 136.56 33.62 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.213 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . 0.633 ' HA ' ' O ' ' A' 1642 ' ' THR . 34.5 m -68.32 124.85 24.63 Favored 'General case' 0 C--N 1.31 -1.124 0 C-N-CA 122.998 0.519 . . . . 0.0 112.005 -175.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -140.3 108.33 6.76 Favored Pre-proline 0 C--N 1.315 -0.9 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.448 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -66.63 -20.35 53.32 Favored 'Trans proline' 0 N--CA 1.489 1.246 0 C-N-CA 123.095 2.53 . . . . 0.0 111.527 178.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -80.35 42.13 0.57 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.009 1.324 . . . . 0.0 110.519 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . . . . . . . . . . . -55.47 121.62 9.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 124.427 1.091 . . . . 0.0 112.249 -178.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . -174.73 -114.68 0.37 Allowed Glycine 0 C--N 1.301 -1.406 0 N-CA-C 108.634 -1.786 . . . . 0.0 108.634 178.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . 0.448 ' O ' ' HG2' ' A' 1623 ' ' ARG . 21.1 Cg_exo -67.84 -10.92 30.37 Favored 'Trans proline' 0 N--CA 1.483 0.866 0 C-N-CA 122.533 2.155 . . . . 0.0 110.36 174.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . . . . . . . . . 12.5 p -74.07 -21.69 59.82 Favored 'General case' 0 N--CA 1.427 -1.615 0 C-N-CA 125.127 1.371 . . . . 0.0 111.254 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . . . . . . . . . 63.7 t30 -85.19 54.05 2.97 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 122.101 0.953 . . . . 0.0 110.628 -175.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' 1620 ' ' PRO . 9.7 ptm180 -155.43 164.23 21.91 Favored Pre-proline 0 C--N 1.305 -1.329 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 176.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . 0.554 ' HA ' ' O ' ' A' 1639 ' ' SER . 72.2 Cg_endo -89.65 143.96 4.47 Favored 'Trans proline' 0 N--CA 1.431 -2.158 0 C-N-CA 121.483 1.455 . . . . 0.0 111.283 177.086 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 19.8 mmt -119.96 153.3 36.15 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 173.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.6 tt -90.88 102.35 15.11 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 -178.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 49.0 mm -80.15 -51.91 15.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.613 -174.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 19.6 m -137.26 127.01 25.46 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 120.479 -0.489 . . . . 0.0 110.197 -177.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.62 102.99 14.65 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 105.504 -2.036 . . . . 0.0 105.504 176.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 14.4 t70 -109.73 100.99 9.92 Favored 'General case' 0 C--N 1.291 -1.941 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.218 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -84.11 -7.31 59.41 Favored 'General case' 0 C--N 1.308 -1.212 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -72.06 -46.49 56.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.302 0.572 . . . . 0.0 110.438 -178.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 37.5 p -106.59 8.15 31.1 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.712 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' A' 1606 ' ' TYR . 71.4 m 57.49 40.48 27.09 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.964 -179.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 25.4 m -121.63 122.29 39.28 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-O 121.122 0.487 . . . . 0.0 110.417 -175.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.39 122.17 43.75 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -95.49 119.23 33.63 Favored 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.084 -178.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -116.89 143.32 45.83 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . 0.554 ' O ' ' HA ' ' A' 1624 ' ' PRO . 10.0 t -126.23 133.0 51.61 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 2.7 t-105 -119.15 135.36 54.7 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . 0.429 ' HA ' ' O ' ' A' 1613 ' ' VAL . 88.4 m-70 -112.03 101.54 9.82 Favored 'General case' 0 C--N 1.298 -1.651 0 C-N-CA 119.331 -0.948 . . . . 0.0 111.479 -177.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . 0.633 ' O ' ' HA ' ' A' 1614 ' ' CYS . 4.9 t -126.53 137.9 31.33 Favored Pre-proline 0 C--N 1.312 -1.055 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.575 -177.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.71 -10.63 18.51 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.765 2.31 . . . . 0.0 112.322 178.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.31 -13.19 60.16 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -176.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -77.93 -10.01 59.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.458 0.647 . . . . 0.0 111.265 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 97.3 m -132.16 158.72 40.95 Favored 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -78.28 75.95 4.8 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-O 121.896 0.855 . . . . 0.0 109.623 177.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 57.8 tp -77.21 92.95 3.88 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.841 -178.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.419 -1.993 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.254 177.521 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1508 ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.467 0.4 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1509 ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -70.83 -67.64 0.49 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.945 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1510 ' ' SER . . . . . . . . . . . . . 21.7 t -123.11 77.4 1.46 Allowed 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 108.374 -0.972 . . . . 0.0 108.374 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1511 ' ' ASN . . . . . 0.408 ' ND2' ' HG2' ' A' 1512 ' ' GLU . 4.9 p-10 -114.13 -34.67 5.28 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.58 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1512 ' ' GLU . . . . . 0.408 ' HG2' ' ND2' ' A' 1511 ' ' ASN . 21.2 mm-40 -91.61 81.16 5.32 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 178.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1513 ' ' HIS . . . . . . . . . . . . . 5.9 t60 -96.01 68.06 2.7 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 -177.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1514 ' ' ASP . . . . . . . . . . . . . 46.0 m-20 61.15 52.58 3.91 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -177.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1515 ' ' ASP . . . . . . . . . . . . . 9.6 t70 -61.98 55.77 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 C-N-CA 128.079 2.552 . . . . 0.0 115.384 -169.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1516 ' ' CYS . . . . . 0.442 ' HA ' ' HB2' ' A' 1581 ' ' LEU . 52.0 m 64.66 31.7 11.87 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 124.53 1.132 . . . . 0.0 111.899 175.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1517 ' ' GLN . . . . . 0.469 ' HB2' HD11 ' A' 1526 ' ' LEU . 18.2 pt20 -138.82 129.55 26.25 Favored 'General case' 0 N--CA 1.419 -1.995 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.551 178.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1518 ' ' VAL . . . . . . . . . . . . . 60.9 t -125.42 127.07 71.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.659 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -178.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1519 ' ' THR . . . . . . . . . . . . . 10.7 m -99.49 111.64 23.97 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 177.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1520 ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -100.75 116.1 64.56 Favored Pre-proline 0 C--N 1.317 -0.821 0 C-N-CA 120.681 -0.408 . . . . 0.0 109.925 178.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1521 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -57.96 -21.95 52.35 Favored 'Trans proline' 0 N--CA 1.484 0.952 0 C-N-CA 123.825 3.017 . . . . 0.0 113.344 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1522 ' ' SER . . . . . . . . . . . . . 13.3 m -64.65 -41.11 96.35 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-O 121.24 0.543 . . . . 0.0 111.014 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1523 ' ' THR . . . . . . . . . . . . . 1.7 p -104.29 -28.54 11.34 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-O 121.124 0.488 . . . . 0.0 112.142 178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1524 ' ' GLY . . . . . . . . . . . . . . . 79.83 14.07 81.42 Favored Glycine 0 N--CA 1.442 -0.966 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1525 ' ' HIS . . . . . . . . . . . . . 6.0 t60 -107.97 139.04 43.18 Favored 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 -175.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1526 ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' 1517 ' ' GLN . 64.7 tp -87.6 110.33 20.3 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 177.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1527 ' ' PHE . . . . . 0.447 ' O ' ' HA ' ' A' 1517 ' ' GLN . 78.0 m-85 -93.52 114.33 26.67 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1528 ' ' ASP . . . . . . . . . . . . . 2.2 p30 -122.51 162.59 21.48 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.769 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1529 ' ' LEU . . . . . . . . . . . . . 97.6 mt -121.09 28.2 8.0 Favored 'General case' 0 C--O 1.248 0.986 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.522 178.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1530 ' ' SER . . . . . . . . . . . . . 79.9 p -61.37 -31.96 71.86 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -175.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1531 ' ' SER . . . . . . . . . . . . . 15.9 m -65.76 -24.1 66.87 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-O 121.041 0.448 . . . . 0.0 111.302 -179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1532 ' ' LEU . . . . . . . . . . . . . 73.0 mt -103.12 6.92 38.8 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.121 0.486 . . . . 0.0 110.329 -176.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1533 ' ' SER . . . . . . . . . . . . . 19.3 m -87.91 97.22 10.82 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-O 121.399 0.619 . . . . 0.0 111.45 -176.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1534 ' ' GLY . . . . . . . . . . . . . . . -111.28 146.29 17.74 Favored Glycine 0 C--N 1.3 -1.429 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1535 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -74.86 -31.91 61.75 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 117.832 0.816 . . . . 0.0 111.675 -177.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1536 ' ' ALA . . . . . . . . . . . . . . . -92.35 -14.98 27.93 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 121.616 0.722 . . . . 0.0 109.212 174.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1537 ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' 1551 ' ' SER . . . 68.14 -136.19 30.4 Favored Glycine 0 N--CA 1.427 -1.916 0 CA-C-N 114.805 -1.089 . . . . 0.0 112.642 177.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1538 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -130.54 135.94 48.43 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1539 ' ' THR . . . . . . . . . . . . . 4.6 m -109.88 107.81 17.89 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 178.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1540 ' ' ALA . . . . . . . . . . . . . . . -110.42 139.59 45.48 Favored 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.732 -177.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1541 ' ' ALA . . . . . . . . . . . . . . . -110.16 111.05 22.15 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1542 ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -103.14 170.13 8.14 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 119.461 -0.304 . . . . 0.0 110.184 -178.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1543 ' ' ALA . . . . . . . . . . . . . . . -65.33 -36.28 83.55 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 121.793 0.806 . . . . 0.0 110.076 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1544 ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -93.9 27.49 2.74 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.572 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1545 ' ' GLY . . . . . . . . . . . . . . . 159.4 90.2 0.08 OUTLIER Glycine 0 N--CA 1.437 -1.269 0 C-N-CA 120.324 -0.941 . . . . 0.0 111.932 179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1546 ' ' TRP . . . . . . . . . . . . . 24.5 m-90 -80.16 68.71 6.39 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 121.286 0.565 . . . . 0.0 111.113 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1547 ' ' GLY . . . . . . . . . . . . . . . 147.9 90.49 0.09 OUTLIER Glycine 0 N--CA 1.427 -1.951 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 177.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1548 ' ' VAL . . . . . . . . . . . . . 54.9 t -122.73 112.68 35.14 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.931 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 176.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1549 ' ' TYR . . . . . 0.417 ' O ' ' HA ' ' A' 1565 ' ' ALA . 52.1 m-85 -93.32 104.13 16.32 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 107.612 -1.255 . . . . 0.0 107.612 -178.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1550 ' ' MET . . . . . . . . . . . . . 21.3 ptp -120.59 121.93 39.45 Favored 'General case' 0 C--N 1.3 -1.556 0 C-N-CA 120.477 -0.489 . . . . 0.0 111.445 -178.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1551 ' ' SER . . . . . 0.47 ' HA ' ' HA3' ' A' 1537 ' ' GLY . 31.6 t -96.98 114.17 25.77 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 175.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1552 ' ' ILE . . . . . . . . . . . . . 50.2 mm -79.28 112.07 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1553 ' ' CYS . . . . . . . . . . . . . 31.4 t 72.33 52.32 0.18 Allowed 'General case' 0 C--N 1.316 -0.857 0 O-C-N 124.32 1.012 . . . . 0.0 111.897 176.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1554 ' ' GLY . . . . . . . . . . . . . . . 163.31 -171.62 39.07 Favored Glycine 0 N--CA 1.426 -2.008 0 C-N-CA 119.648 -1.263 . . . . 0.0 111.617 176.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1555 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.76 147.15 23.2 Favored 'General case' 0 N--CA 1.423 -1.785 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 177.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1556 ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -92.72 128.24 38.51 Favored 'General case' 0 C--N 1.291 -1.95 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -176.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1557 ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -69.55 -11.83 61.15 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 120.929 0.395 . . . . 0.0 111.945 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1558 ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -88.5 0.23 56.51 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 175.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1559 ' ' CYS . . . . . . . . . . . . . 74.6 m -126.91 163.01 44.07 Favored Pre-proline 0 C--N 1.303 -1.417 0 C-N-CA 123.485 0.714 . . . . 0.0 109.507 -178.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1560 ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -52.7 145.85 37.37 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.963 2.442 . . . . 0.0 111.369 174.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1561 ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -51.32 99.73 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 123.763 2.975 . . . . 0.0 112.825 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1562 ' ' GLY . . . . . 0.436 ' O ' ' HD2' ' A' 1576 ' ' LYS . . . 125.16 -17.12 7.12 Favored Glycine 0 N--CA 1.439 -1.101 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.904 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1563 ' ' VAL . . . . . . . . . . . . . 65.8 t -88.01 130.36 37.77 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.217 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1564 ' ' GLY . . . . . . . . . . . . . . . -97.36 -29.78 7.71 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.56 -0.828 . . . . 0.0 113.111 -175.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1565 ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' 1549 ' ' TYR . . . -137.22 138.03 39.72 Favored 'General case' 0 C--N 1.309 -1.189 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.423 -177.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1566 ' ' CYS . . . . . . . . . . . . . 71.9 m -131.73 137.38 48.21 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.096 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1567 ' ' PHE . . . . . . . . . . . . . 83.6 t80 -109.89 130.14 55.56 Favored 'General case' 0 C--N 1.306 -1.315 0 C-N-CA 122.869 0.468 . . . . 0.0 110.638 -178.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1568 ' ' GLY . . . . . . . . . . . . . . . 89.76 170.03 44.12 Favored Glycine 0 N--CA 1.437 -1.287 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.418 175.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1569 ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -72.36 -22.02 61.21 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.812 0.339 . . . . 0.0 111.611 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1570 ' ' THR . . . . . . . . . . . . . 20.4 m -80.84 -8.61 59.75 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 122.475 1.131 . . . . 0.0 109.227 177.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1571 ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 60.54 55.17 3.49 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 125.766 1.626 . . . . 0.0 111.822 175.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1572 ' ' ILE . . . . . . . . . . . . . 68.7 mt -66.99 124.4 22.16 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1573 ' ' SER . . . . . . . . . . . . . 3.0 p -60.18 110.8 1.31 Allowed 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 121.418 0.628 . . . . 0.0 111.58 -179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1574 ' ' VAL . . . . . 0.581 HG23 ' HB3' ' A' 1606 ' ' TYR . 12.4 p -113.17 21.46 6.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-O 122.085 0.945 . . . . 0.0 109.861 -176.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1575 ' ' GLY . . . . . . . . . . . . . . . 161.75 131.95 1.28 Allowed Glycine 0 N--CA 1.43 -1.711 0 C-N-CA 119.056 -1.545 . . . . 0.0 114.233 176.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1576 ' ' LYS . . . . . 0.436 ' HD2' ' O ' ' A' 1562 ' ' GLY . 28.6 tptp -76.04 145.33 40.25 Favored 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 176.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1577 ' ' ALA . . . . . . . . . . . . . . . -62.14 87.9 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -176.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1578 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.51 131.83 41.26 Favored 'General case' 0 CA--C 1.493 -1.222 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 176.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1579 ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -114.81 1.55 14.14 Favored 'General case' 0 C--N 1.296 -1.723 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1580 ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -67.61 93.87 0.39 Allowed 'General case' 0 C--O 1.25 1.116 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.642 178.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1581 ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' 1516 ' ' CYS . 0.6 OUTLIER -75.92 127.29 32.68 Favored 'General case' 0 CA--C 1.493 -1.249 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 176.264 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1582 ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -112.54 127.14 55.99 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.65 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1583 ' ' TYR . . . . . 0.455 ' CE1' ' HA ' ' A' 1586 ' ' GLN . 80.2 t80 -101.46 102.86 13.72 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 175.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1584 ' ' VAL . . . . . . . . . . . . . 8.2 m -131.83 127.0 58.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.35 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1585 ' ' ASP . . . . . . . . . . . . . 31.4 t70 51.8 50.17 19.23 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 122.509 1.147 . . . . 0.0 111.721 179.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1586 ' ' GLN . . . . . 0.455 ' HA ' ' CE1' ' A' 1583 ' ' TYR . 79.2 mt-30 63.17 14.84 8.05 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 177.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1587 ' ' VAL . . . . . . . . . . . . . 12.8 p -123.51 141.95 41.93 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.95 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 177.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1588 ' ' LEU . . . . . 0.464 ' HB2' ' HB2' ' A' 1612 ' ' PHE . 95.9 mt -92.44 131.25 37.75 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1589 ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -137.75 135.45 36.37 Favored 'General case' 0 C--N 1.291 -1.975 0 C-N-CA 119.203 -0.999 . . . . 0.0 111.503 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1590 ' ' LEU . . . . . . . . . . . . . 67.4 mt -114.3 123.39 49.39 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 176.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1591 ' ' VAL . . . . . . . . . . . . . 57.8 t -113.18 108.12 24.71 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.326 0 CA-C-O 121.128 0.489 . . . . 0.0 110.082 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1592 ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -88.76 88.9 7.77 Favored 'General case' 0 C--N 1.299 -1.614 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1593 ' ' LYS . . . . . 0.407 ' H ' ' HG2' ' A' 1593 ' ' LYS . 9.7 ptpp? -97.31 177.88 5.41 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 113.168 -1.833 . . . . 0.0 109.903 -175.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1594 ' ' ASP . . . . . . . . . . . . . 26.0 t70 55.65 62.84 2.26 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-O 122.227 1.013 . . . . 0.0 113.129 177.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1595 ' ' GLY . . . . . . . . . . . . . . . -104.47 -144.08 12.84 Favored Glycine 0 N--CA 1.437 -1.28 0 N-CA-C 110.422 -1.071 . . . . 0.0 110.422 174.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1596 ' ' SER . . . . . 0.425 ' O ' ' HD1' ' A' 1606 ' ' TYR . 20.1 t -64.41 134.61 96.04 Favored Pre-proline 0 C--N 1.311 -1.078 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 178.111 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1597 ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.35 147.33 82.84 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.368 2.045 . . . . 0.0 112.354 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1598 ' ' CYS . . . . . . . . . . . . . 61.5 m -105.77 150.23 38.91 Favored Pre-proline 0 C--N 1.309 -1.186 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 -176.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1599 ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -82.36 3.82 7.53 Favored 'Trans proline' 0 CA--C 1.536 0.578 0 C-N-CA 123.47 2.78 . . . . 0.0 113.221 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1600 ' ' SER . . . . . . . . . . . . . 20.4 m -91.69 6.85 44.28 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -176.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1601 ' ' LYS . . . . . . . . . . . . . 4.3 mptp? 65.16 -61.4 0.23 Allowed 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1602 ' ' SER . . . . . . . . . . . . . 31.0 t -74.03 118.13 16.63 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -178.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1603 ' ' GLY . . . . . . . . . . . . . . . 66.78 48.64 60.27 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1604 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.81 86.35 2.22 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 122.223 1.011 . . . . 0.0 113.723 -174.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1605 ' ' SER . . . . . . . . . . . . . 15.1 p -178.33 124.3 0.11 Allowed 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 114.524 -1.216 . . . . 0.0 110.486 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1606 ' ' TYR . . . . . 0.581 ' HB3' HG23 ' A' 1574 ' ' VAL . 49.1 m-85 -65.27 124.79 23.13 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 171.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1607 ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -139.5 144.6 38.01 Favored 'General case' 0 N--CA 1.424 -1.733 0 CA-C-O 121.389 0.614 . . . . 0.0 110.798 -176.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1608 ' ' SER . . . . . . . . . . . . . 32.8 t -113.9 126.28 54.99 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.002 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1609 ' ' VAL . . . . . . . . . . . . . 95.6 t -111.69 107.92 24.17 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1610 ' ' ILE . . . . . . . . . . . . . 60.7 mt -104.26 111.08 32.44 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1611 ' ' SER . . . . . . . . . . . . . 13.0 t -98.3 127.19 44.11 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1612 ' ' PHE . . . . . 0.464 ' HB2' ' HB2' ' A' 1588 ' ' LEU . 97.7 m-85 -105.95 104.54 14.27 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 -176.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1613 ' ' VAL . . . . . . . . . . . . . 53.0 t -98.27 138.39 23.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.501 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.07 -175.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1614 ' ' CYS . . . . . . . . . . . . . 29.4 t -61.26 100.66 0.13 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.332 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1615 ' ' ARG . . . . . . . . . . . . . 27.8 mmm180 -136.13 88.57 21.53 Favored Pre-proline 0 C--N 1.308 -1.201 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1616 ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -71.0 7.01 1.48 Allowed 'Trans proline' 0 N--CA 1.48 0.732 0 C-N-CA 123.887 3.058 . . . . 0.0 113.755 -177.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1617 ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -63.7 -36.39 83.68 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 123.38 0.672 . . . . 0.0 110.211 -178.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1618 ' ' ALA . . . . . 0.691 ' HA ' ' OD1' ' A' 1622 ' ' ASN . . . 61.09 -173.47 0.13 Allowed 'General case' 0 C--O 1.253 1.274 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.571 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1619 ' ' GLY . . . . . . . . . . . . . . . 70.79 -124.62 12.21 Favored Glycine 0 N--CA 1.439 -1.141 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.986 178.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1620 ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -66.47 -17.89 53.95 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.96 2.44 . . . . 0.0 111.894 -178.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1621 ' ' THR . . . . . 0.612 ' O ' ' HB2' ' A' 1641 ' ' HIS . 7.2 m -69.56 -32.61 71.51 Favored 'General case' 0 N--CA 1.424 -1.728 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.085 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1622 ' ' ASN . . . . . 0.691 ' OD1' ' HA ' ' A' 1618 ' ' ALA . 4.9 m-20 -82.76 59.02 4.56 Favored 'General case' 0 C--O 1.247 0.966 0 CA-C-O 121.493 0.663 . . . . 0.0 111.652 -175.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1623 ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -139.38 144.24 39.25 Favored Pre-proline 0 C--N 1.306 -1.289 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1624 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -74.44 123.3 8.06 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.347 2.032 . . . . 0.0 110.83 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1625 ' ' MET . . . . . . . . . . . . . 24.5 mmt -113.45 140.25 48.24 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.636 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1626 ' ' LEU . . . . . . . . . . . . . 1.8 tt -80.92 115.8 20.58 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.35 -1.352 . . . . 0.0 107.35 -178.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1627 ' ' ILE . . . . . . . . . . . . . 46.4 mm -93.46 -52.77 9.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.674 -177.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1628 ' ' SER . . . . . . . . . . . . . 22.3 m -139.51 134.94 32.94 Favored 'General case' 0 C--N 1.302 -1.458 0 O-C-N 121.916 -0.49 . . . . 0.0 110.961 -177.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1629 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.35 109.64 21.43 Favored 'General case' 0 N--CA 1.435 -1.19 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 179.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1630 ' ' ASP . . . . . . . . . . . . . 12.0 t70 -113.53 98.95 7.39 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1631 ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -82.71 -13.35 56.53 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 121.171 0.51 . . . . 0.0 110.627 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1632 ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -71.9 -45.81 59.96 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.596 -177.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1633 ' ' THR . . . . . . . . . . . . . 24.0 p -105.55 12.02 31.77 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 121.769 0.795 . . . . 0.0 110.141 175.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1634 ' ' CYS . . . . . . . . . . . . . 37.8 m 52.9 46.33 26.99 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 113.914 -1.494 . . . . 0.0 111.385 177.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1635 ' ' THR . . . . . . . . . . . . . 26.6 m -115.78 117.04 29.11 Favored 'General case' 0 N--CA 1.415 -2.195 0 CA-C-O 121.319 0.581 . . . . 0.0 110.117 -177.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1636 ' ' LEU . . . . . . . . . . . . . 6.6 mp -99.09 112.96 24.96 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1637 ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -87.79 112.66 22.68 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.347 -178.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1638 ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -115.64 143.86 44.75 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1639 ' ' SER . . . . . . . . . . . . . 32.7 t -125.99 125.94 43.51 Favored 'General case' 0 N--CA 1.408 -2.53 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 176.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1640 ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -103.51 136.04 43.98 Favored 'General case' 0 N--CA 1.41 -2.45 0 N-CA-C 105.45 -2.056 . . . . 0.0 105.45 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1641 ' ' HIS . . . . . 0.612 ' HB2' ' O ' ' A' 1621 ' ' THR . 41.3 m-70 -104.75 109.67 21.7 Favored 'General case' 0 C--N 1.281 -2.371 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 -177.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1642 ' ' THR . . . . . . . . . . . . . 5.1 t -138.95 141.35 29.92 Favored Pre-proline 0 C--N 1.312 -1.047 0 CA-C-O 121.546 0.688 . . . . 0.0 112.353 -175.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1643 ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -70.78 -10.0 26.87 Favored 'Trans proline' 0 C--N 1.358 1.071 0 C-N-CA 123.505 2.803 . . . . 0.0 111.523 173.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1644 ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.11 -10.61 59.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.034 0.445 . . . . 0.0 111.0 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1645 ' ' ALA . . . . . . . . . . . . . . . -96.77 12.07 33.35 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.743 0.783 . . . . 0.0 109.922 178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1646 ' ' CYS . . . . . . . . . . . . . 65.2 m -99.66 135.47 41.03 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1647 ' ' GLU . . . . . 0.447 ' HA ' ' CZ ' ' A' 1527 ' ' PHE . 36.4 mt-10 -81.17 80.48 7.61 Favored 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -178.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1648 ' ' LEU . . . . . . . . . . . . . 61.4 tp -89.33 129.28 35.89 Favored 'General case' 0 C--N 1.297 -1.689 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 174.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1649 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.541 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.508 -177.58 . . . . . . . . 0 0 . 1 stop_ save_