==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 17-APR-12 4EPM . COMPND 2 MOLECULE: 4-SUBSTITUTED BENZOATES-GLUTAMATE LIGASE GH3.12; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR C.S.WESTFALL,C.ZUBIETA,J.HERRMANN,U.KAPP,M.H.NANAO,J.M.JEZ . 554 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23976.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 399 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 41 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 1 1 1 2 0 1 4 1 1 2 0 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 7 1 0 1 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 9 A E > 0 0 205 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -75.6 -43.4 32.1 -49.7 2 10 A T H > + 0 0 116 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.842 360.0 52.1 -54.4 -34.1 -40.7 34.6 -48.8 3 11 A F H > S+ 0 0 15 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.931 105.4 48.8 -75.0 -49.9 -39.6 32.3 -45.9 4 12 A E H > S+ 0 0 88 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.909 118.1 44.9 -54.7 -40.7 -39.2 29.0 -47.8 5 13 A K H X S+ 0 0 129 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.890 110.1 53.4 -70.8 -42.5 -37.2 31.0 -50.3 6 14 A Q H X S+ 0 0 62 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.897 112.8 44.4 -58.7 -41.2 -35.2 32.8 -47.6 7 15 A L H X S+ 0 0 8 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.885 111.7 52.4 -76.8 -37.3 -34.2 29.5 -46.0 8 16 A K H X S+ 0 0 136 -4,-2.1 4,-1.6 -5,-0.3 5,-0.3 0.956 112.7 45.6 -57.7 -51.7 -33.4 27.9 -49.4 9 17 A D H X S+ 0 0 66 -4,-2.9 4,-1.7 1,-0.2 3,-0.3 0.925 113.2 49.5 -57.3 -50.8 -31.1 30.8 -50.2 10 18 A L H < S+ 0 0 15 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.852 118.4 38.6 -55.0 -37.8 -29.4 30.8 -46.8 11 19 A T H < S+ 0 0 0 -4,-1.9 389,-2.1 -5,-0.1 390,-0.5 0.601 118.0 45.1 -99.0 -9.8 -28.8 27.1 -46.9 12 20 A S H < S+ 0 0 34 -4,-1.6 3,-0.3 -3,-0.3 -3,-0.2 0.746 109.4 53.1 -99.4 -25.9 -27.8 26.5 -50.5 13 21 A N S X S+ 0 0 74 -4,-1.7 4,-2.6 -5,-0.3 5,-0.2 -0.149 70.6 133.3-103.1 35.1 -25.5 29.4 -51.0 14 22 A V H > + 0 0 2 -3,-0.2 4,-2.6 1,-0.2 5,-0.2 0.904 66.7 45.7 -63.2 -52.9 -23.3 28.6 -48.0 15 23 A K H > S+ 0 0 96 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.929 118.7 42.6 -56.1 -46.4 -19.7 28.9 -49.4 16 24 A S H > S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.885 113.5 50.1 -76.8 -36.4 -20.5 32.2 -51.2 17 25 A I H X S+ 0 0 35 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.944 114.5 46.9 -59.1 -49.3 -22.5 33.8 -48.3 18 26 A Q H X S+ 0 0 4 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.918 113.9 46.7 -56.5 -47.6 -19.6 32.8 -46.0 19 27 A D H X S+ 0 0 34 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.833 113.5 47.8 -69.0 -36.4 -16.9 34.2 -48.4 20 28 A N H X S+ 0 0 95 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.886 111.1 52.5 -68.1 -39.4 -18.8 37.4 -49.0 21 29 A L H X S+ 0 0 12 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.918 106.4 52.6 -62.4 -44.4 -19.3 37.8 -45.2 22 30 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.928 111.5 46.8 -55.5 -46.6 -15.6 37.4 -44.6 23 31 A E H X S+ 0 0 90 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.894 109.7 52.7 -64.8 -43.4 -14.9 40.1 -47.1 24 32 A E H < S+ 0 0 101 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.920 115.6 42.7 -56.0 -42.3 -17.5 42.4 -45.6 25 33 A I H < S+ 0 0 2 -4,-2.6 4,-0.3 -5,-0.2 -2,-0.2 0.950 118.4 40.4 -71.1 -50.1 -15.9 41.9 -42.2 26 34 A I H >X S+ 0 0 0 -4,-3.1 3,-1.4 -5,-0.2 4,-0.6 0.866 98.9 71.2 -72.1 -39.9 -12.2 42.2 -43.1 27 35 A T G >< S+ 0 0 68 -4,-2.1 3,-1.3 1,-0.3 4,-0.2 0.906 104.9 36.0 -51.7 -58.3 -12.2 45.0 -45.6 28 36 A P G 34 S+ 0 0 80 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.603 114.8 61.4 -70.3 -6.7 -12.9 48.0 -43.3 29 37 A N G X4 + 0 0 9 -3,-1.4 3,-1.8 -4,-0.3 6,-0.4 0.425 69.9 96.2-100.8 0.8 -10.8 46.3 -40.6 30 38 A T T << S+ 0 0 13 -3,-1.3 -1,-0.2 -4,-0.6 10,-0.1 0.803 85.3 53.4 -59.7 -28.8 -7.5 46.2 -42.4 31 39 A K T 3 S+ 0 0 150 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.397 82.6 110.5 -91.0 1.8 -6.5 49.4 -40.6 32 40 A T S <> S- 0 0 3 -3,-1.8 4,-2.3 1,-0.1 43,-0.2 -0.437 78.6-120.3 -70.2 154.2 -7.2 48.1 -37.1 33 41 A E H > S+ 0 0 77 41,-1.5 4,-1.3 1,-0.2 43,-0.2 0.870 110.3 54.7 -64.9 -36.8 -4.2 47.6 -34.9 34 42 A Y H 4 S+ 0 0 7 41,-2.2 4,-0.4 40,-0.2 -1,-0.2 0.907 114.4 36.9 -63.3 -46.9 -4.9 43.9 -34.5 35 43 A L H >4>S+ 0 0 0 -6,-0.4 5,-1.6 1,-0.2 3,-1.2 0.821 109.1 62.6 -79.3 -34.0 -5.1 43.1 -38.2 36 44 A Q H ><5S+ 0 0 108 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.859 95.0 65.3 -54.9 -35.6 -2.3 45.5 -39.2 37 45 A R T 3<5S+ 0 0 151 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.848 106.2 40.7 -54.6 -35.3 -0.2 43.2 -37.0 38 46 A F T < 5S- 0 0 31 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.178 113.8-114.2-107.7 14.6 -0.7 40.4 -39.5 39 47 A L T < 5 + 0 0 117 -3,-1.5 2,-1.7 1,-0.2 3,-0.3 0.746 57.1 157.4 64.7 27.0 -0.4 42.5 -42.7 40 48 A I < + 0 0 1 -5,-1.6 -1,-0.2 1,-0.2 -2,-0.1 -0.657 12.7 150.7 -77.1 83.7 -4.0 42.0 -43.7 41 49 A D + 0 0 109 -2,-1.7 2,-0.3 -3,-0.1 -1,-0.2 0.646 64.6 16.8 -99.3 -18.7 -3.8 45.2 -45.8 42 50 A R S S- 0 0 145 -3,-0.3 2,-0.4 2,-0.1 -1,-0.1 -0.910 99.0 -85.8-137.9 165.5 -6.3 44.2 -48.5 43 51 A F + 0 0 56 -2,-0.3 2,-0.2 -3,-0.1 -20,-0.1 -0.651 59.2 147.7 -76.6 130.9 -8.9 41.5 -48.5 44 52 A D > - 0 0 52 -2,-0.4 4,-2.4 1,-0.1 3,-0.2 -0.785 38.0-150.1-159.6 118.9 -7.5 38.2 -49.6 45 53 A K H > S+ 0 0 40 -2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.920 97.3 52.1 -57.9 -49.2 -8.9 34.9 -48.1 46 54 A E H > S+ 0 0 160 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.854 111.8 47.2 -56.9 -37.4 -5.6 33.0 -48.5 47 55 A L H >>S+ 0 0 33 -3,-0.2 4,-2.9 2,-0.2 5,-0.5 0.893 111.0 50.8 -72.7 -43.4 -3.7 35.7 -46.7 48 56 A F H X5S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.945 114.3 45.3 -55.2 -47.9 -6.2 35.9 -43.9 49 57 A K H <5S+ 0 0 59 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.837 118.9 41.7 -67.3 -31.8 -6.0 32.1 -43.6 50 58 A K H <5S+ 0 0 173 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.871 126.4 27.1 -83.0 -39.2 -2.2 32.1 -43.7 51 59 A N H <5S+ 0 0 44 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.718 97.4 83.3-104.9 -28.8 -1.4 35.1 -41.5 52 60 A V S <> - 0 0 28 -2,-0.3 4,-1.0 330,-0.2 3,-0.6 -0.688 42.4-100.2-103.8 168.6 -8.1 31.4 -27.7 57 65 A Y H >> S+ 0 0 14 330,-0.3 4,-1.0 -2,-0.2 3,-0.6 0.891 123.3 54.3 -53.1 -39.9 -9.8 33.9 -25.4 58 66 A E H 34 S+ 0 0 101 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.825 99.3 61.1 -69.5 -31.6 -6.6 34.2 -23.4 59 67 A D H <4 S+ 0 0 97 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.841 117.3 29.8 -60.6 -34.6 -4.4 35.0 -26.4 60 68 A I H XX S+ 0 0 10 -4,-1.0 4,-2.2 -3,-0.6 3,-1.1 0.430 86.6 102.5-112.5 0.4 -6.4 38.2 -27.1 61 69 A K H 3X S+ 0 0 64 -4,-1.0 4,-3.2 1,-0.3 5,-0.2 0.850 77.9 62.7 -51.3 -36.6 -7.6 39.2 -23.6 62 70 A P H 3> S+ 0 0 73 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.887 106.2 43.8 -58.8 -37.6 -4.9 41.8 -23.6 63 71 A Y H <> S+ 0 0 29 -3,-1.1 4,-1.4 2,-0.2 -2,-0.2 0.915 114.3 50.3 -71.5 -41.8 -6.5 43.5 -26.6 64 72 A L H X S+ 0 0 3 -4,-2.2 4,-2.8 1,-0.2 3,-0.2 0.903 105.0 56.9 -62.0 -42.8 -10.0 43.1 -25.0 65 73 A D H X S+ 0 0 57 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.892 104.0 54.1 -52.7 -44.9 -8.8 44.6 -21.6 66 74 A R H <>S+ 0 0 72 -4,-1.2 5,-2.6 2,-0.2 4,-0.3 0.875 110.5 44.3 -63.0 -39.4 -7.7 47.8 -23.4 67 75 A V H ><5S+ 0 0 3 -4,-1.4 3,-1.3 3,-0.2 -1,-0.2 0.898 111.4 54.1 -72.1 -39.7 -11.1 48.3 -25.0 68 76 A V H 3<5S+ 0 0 18 -4,-2.8 77,-1.8 1,-0.2 79,-0.2 0.873 108.2 52.2 -56.8 -35.7 -12.7 47.5 -21.7 69 77 A N T 3<5S- 0 0 104 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.472 130.8 -89.1 -85.3 -0.8 -10.6 50.2 -20.2 70 78 A G T < 5S+ 0 0 47 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.397 75.2 143.5 116.0 -3.4 -11.6 52.9 -22.7 71 79 A E < - 0 0 87 -5,-2.6 -1,-0.3 -6,-0.2 4,-0.1 -0.313 64.2 -76.9 -66.4 152.8 -9.2 52.6 -25.6 72 80 A S > - 0 0 64 1,-0.1 3,-1.5 2,-0.1 4,-0.2 -0.160 35.9-125.1 -51.1 140.4 -10.5 53.2 -29.1 73 81 A S G >> S+ 0 0 20 1,-0.3 3,-2.7 2,-0.1 4,-2.4 0.838 101.2 79.1 -55.0 -31.4 -12.5 50.3 -30.6 74 82 A D G 34 + 0 0 87 1,-0.3 -41,-1.5 2,-0.3 -1,-0.3 0.409 65.0 87.5 -71.0 0.4 -10.2 50.3 -33.6 75 83 A V G <4 S- 0 0 3 -3,-1.5 -41,-2.2 -43,-0.2 -1,-0.3 0.889 124.3 -7.9 -54.0 -38.7 -7.6 48.4 -31.7 76 84 A I T <4 S+ 0 0 2 -3,-2.7 2,-0.4 1,-0.3 -2,-0.3 0.499 135.2 43.8-137.1 -16.4 -9.7 45.5 -33.0 77 85 A S < - 0 0 1 -4,-2.4 4,-0.3 -5,-0.1 -1,-0.3 -0.952 41.9-166.0-147.9 125.0 -12.8 46.7 -34.7 78 86 A A S S+ 0 0 49 -2,-0.4 2,-0.6 -4,-0.1 -4,-0.1 0.737 86.3 78.7 -73.4 -27.9 -13.6 49.5 -37.2 79 87 A R S S- 0 0 108 -6,-0.1 -3,-0.1 -3,-0.1 -50,-0.0 -0.790 106.2-104.1 -77.0 120.2 -17.2 48.9 -36.3 80 88 A T - 0 0 87 -2,-0.6 2,-0.7 1,-0.1 -2,-0.1 -0.172 21.9-131.7 -56.3 128.0 -17.5 50.7 -33.0 81 89 A I + 0 0 2 -4,-0.3 20,-0.2 1,-0.1 -8,-0.1 -0.729 31.4 173.0 -73.6 114.9 -17.6 48.6 -29.8 82 90 A T - 0 0 62 18,-1.9 2,-0.3 -2,-0.7 19,-0.2 0.362 59.5 -16.3-110.3 5.5 -20.6 50.0 -27.9 83 91 A G E -J 100 0B 2 17,-1.1 17,-1.8 64,-0.2 2,-0.3 -0.966 65.5-109.9 179.0-177.9 -20.8 47.5 -25.1 84 92 A F E -Jk 99 149B 3 64,-2.2 66,-2.5 -2,-0.3 2,-0.5 -0.939 16.3-129.7-132.3 158.2 -19.8 44.1 -23.9 85 93 A L E -Jk 98 150B 1 13,-3.0 13,-2.7 -2,-0.3 2,-0.7 -0.946 20.4-134.0-104.9 130.1 -21.4 40.7 -23.4 86 94 A L E -J 97 0B 20 64,-2.4 66,-0.4 -2,-0.5 11,-0.2 -0.734 25.0-149.1 -78.1 114.2 -20.8 38.9 -20.1 87 95 A S E - 0 0 12 9,-2.8 9,-0.1 -2,-0.7 64,-0.0 -0.516 18.8-135.6 -81.8 153.2 -20.0 35.3 -20.9 88 96 A S E S+ 0 0 34 -2,-0.2 332,-0.3 7,-0.1 404,-0.2 0.701 89.6 90.7 -75.5 -22.4 -20.9 32.4 -18.6 89 97 A G E S- 0 0 7 330,-0.1 7,-2.1 7,-0.1 2,-0.3 -0.449 73.4-150.0 -67.0 149.6 -17.4 31.3 -19.4 90 98 A T E -J 95 0B 21 5,-0.3 2,-0.3 330,-0.2 5,-0.2 -0.810 22.0-160.7-127.6 164.0 -14.9 32.7 -16.9 91 99 A S E > S-J 94 0B 33 3,-3.1 3,-1.9 -2,-0.3 -2,-0.0 -0.946 86.9 -9.9-144.3 119.7 -11.3 33.8 -16.5 92 100 A G T 3 S- 0 0 87 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.898 129.9 -57.7 54.2 41.0 -9.6 34.0 -13.1 93 101 A G T 3 S+ 0 0 29 1,-0.2 398,-2.1 397,-0.1 2,-0.3 0.263 119.6 109.9 78.1 -13.8 -13.1 33.5 -11.6 94 102 A A E < S-J 91 0B 48 -3,-1.9 -3,-3.1 396,-0.2 -1,-0.2 -0.759 78.6-101.8 -99.9 141.2 -14.4 36.6 -13.5 95 103 A Q E -J 90 0B 37 -2,-0.3 -5,-0.3 -5,-0.2 -7,-0.1 -0.340 39.9-113.0 -59.8 131.7 -16.8 36.5 -16.4 96 104 A K E - 0 0 23 -7,-2.1 -9,-2.8 -9,-0.1 2,-0.6 -0.374 26.6-138.2 -60.4 143.3 -15.2 36.9 -19.8 97 105 A M E -J 86 0B 36 -11,-0.2 -11,-0.2 -3,-0.1 -29,-0.1 -0.951 17.1-165.8-110.1 119.4 -16.1 40.1 -21.6 98 106 A M E -J 85 0B 1 -13,-2.7 -13,-3.0 -2,-0.6 223,-0.0 -0.841 27.3-108.0-104.7 140.2 -16.8 39.9 -25.3 99 107 A P E -J 84 0B 4 0, 0.0 2,-0.3 0, 0.0 -15,-0.2 -0.319 43.4-177.3 -67.9 151.2 -17.0 43.0 -27.5 100 108 A W E +J 83 0B 28 -17,-1.8 -18,-1.9 282,-0.0 -17,-1.1 -0.963 17.3 161.9-150.5 154.5 -20.5 43.9 -28.7 101 109 A N >> - 0 0 7 -2,-0.3 3,-1.8 -20,-0.2 4,-0.5 -0.904 60.2 -72.6-160.8-175.4 -22.4 46.4 -30.9 102 110 A N H 3> S+ 0 0 82 1,-0.3 4,-2.2 -2,-0.3 3,-0.5 0.679 118.2 75.2 -65.9 -18.4 -25.8 46.6 -32.6 103 111 A K H 3> S+ 0 0 36 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.833 89.9 59.7 -61.8 -30.3 -24.8 44.0 -35.2 104 112 A Y H <> S+ 0 0 29 -3,-1.8 4,-2.2 1,-0.2 -1,-0.3 0.892 107.6 44.9 -62.8 -38.7 -25.3 41.4 -32.4 105 113 A L H X S+ 0 0 1 -4,-0.5 4,-2.6 -3,-0.5 5,-0.3 0.814 109.1 54.9 -75.0 -36.8 -28.9 42.6 -32.1 106 114 A D H X S+ 0 0 65 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.952 113.5 42.9 -60.0 -47.7 -29.5 42.6 -35.9 107 115 A N H X S+ 0 0 14 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.929 114.2 51.2 -59.6 -47.6 -28.3 38.9 -36.0 108 116 A L H X S+ 0 0 11 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.956 112.8 42.7 -58.7 -52.9 -30.3 38.0 -32.9 109 117 A T H X S+ 0 0 27 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.845 111.5 56.2 -68.6 -30.7 -33.6 39.4 -34.1 110 118 A F H X S+ 0 0 55 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.927 110.6 45.8 -57.8 -45.5 -32.9 37.9 -37.5 111 119 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.874 109.8 53.5 -66.5 -40.2 -32.6 34.6 -35.7 112 120 A Y H X S+ 0 0 17 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.913 111.9 45.2 -60.5 -43.9 -35.7 35.1 -33.6 113 121 A D H X S+ 0 0 65 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.865 113.1 50.5 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466 A G B -u 503 0F 5 44,-0.5 46,-2.9 -2,-0.1 2,-0.3 -0.239 29.8-170.0 -64.0 161.1 -29.4 20.8 -7.9 459 467 A H E -R 452 0E 17 -7,-2.1 -7,-2.4 44,-0.2 2,-0.3 -0.983 26.1 -95.9-150.5 163.1 -26.0 20.9 -6.2 460 468 A Y E -R 451 0E 2 44,-0.5 47,-2.8 -2,-0.3 2,-0.5 -0.647 31.4-158.8 -80.4 135.0 -22.4 19.8 -6.6 461 469 A V E -Rs 450 507E 0 -11,-2.7 -11,-1.8 -2,-0.3 2,-0.5 -0.963 6.5-169.7-115.3 126.1 -21.3 16.6 -5.0 462 470 A V E -Rs 449 508E 0 45,-2.7 47,-2.8 -2,-0.5 2,-0.6 -0.967 10.0-151.1-117.9 122.3 -17.6 16.0 -4.2 463 471 A Y E -Rs 448 509E 1 -15,-2.8 -15,-1.5 -2,-0.5 2,-0.5 -0.826 17.3-174.4 -92.9 124.5 -16.3 12.6 -3.1 464 472 A L E -Rs 447 510E 1 45,-1.9 47,-2.3 -2,-0.6 2,-0.7 -0.969 18.2-157.5-120.2 127.6 -13.2 12.8 -0.9 465 473 A E E -R 446 0E 16 -19,-2.5 -20,-3.5 -2,-0.5 -19,-1.0 -0.912 26.9-173.4 -98.1 111.6 -11.1 9.9 0.3 466 474 A V E -R 444 0E 25 -2,-0.7 2,-0.3 45,-0.5 -22,-0.2 -0.539 9.3-162.8-100.0 167.6 -9.3 11.2 3.4 467 475 A D E R 443 0E 59 -24,-2.0 -24,-2.2 1,-0.2 -2,-0.0 -0.994 360.0 360.0-150.2 152.7 -6.7 9.7 5.6 468 476 A T 0 0 136 -2,-0.3 -1,-0.2 -26,-0.2 0, 0.0 0.995 360.0 360.0 -70.6 360.0 -5.2 10.3 9.0 469 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 470 486 A Q 0 0 192 0, 0.0 3,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -46.3 -11.0 9.4 16.2 471 487 A F + 0 0 183 1,-0.1 2,-0.3 2,-0.0 0, 0.0 0.830 360.0 14.1 -68.7 -31.5 -14.5 8.2 17.1 472 488 A E S S- 0 0 169 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.936 86.1 -97.9-140.1 160.1 -16.0 10.7 14.6 473 489 A L - 0 0 54 -2,-0.3 2,-1.3 1,-0.1 3,-0.1 -0.538 45.8-104.2 -74.3 145.6 -15.0 13.0 11.8 474 490 A D > - 0 0 88 -2,-0.2 4,-2.1 1,-0.2 5,-0.2 -0.605 37.3-170.8 -71.2 96.7 -14.4 16.6 12.6 475 491 A E H > S+ 0 0 123 -2,-1.3 4,-2.4 1,-0.2 5,-0.2 0.826 81.3 57.5 -62.5 -32.2 -17.6 18.0 11.2 476 492 A E H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.946 109.9 44.7 -64.8 -43.7 -16.4 21.6 11.6 477 493 A A H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.890 115.5 46.2 -65.0 -42.1 -13.3 20.9 9.4 478 494 A L H X S+ 0 0 2 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.817 112.1 51.3 -74.6 -30.9 -15.3 19.0 6.8 479 495 A S H X S+ 0 0 35 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.891 108.8 52.1 -65.3 -41.4 -18.0 21.7 6.7 480 496 A T H X S+ 0 0 41 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.880 103.4 58.2 -65.0 -37.6 -15.2 24.2 6.3 481 497 A C H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.937 105.6 49.6 -52.9 -50.6 -13.9 22.1 3.3 482 498 A C H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.935 111.0 50.4 -52.4 -50.0 -17.3 22.6 1.6 483 499 A L H X S+ 0 0 54 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.913 109.5 48.0 -59.0 -47.9 -17.2 26.3 2.2 484 500 A V H X S+ 0 0 28 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.868 109.4 54.4 -66.9 -35.9 -13.7 26.8 0.8 485 501 A M H >X S+ 0 0 1 -4,-2.1 4,-0.8 -5,-0.2 3,-0.5 0.953 111.5 44.5 -58.1 -51.0 -14.5 24.8 -2.3 486 502 A E H >< S+ 0 0 2 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.905 110.2 55.5 -59.6 -42.6 -17.5 27.0 -3.0 487 503 A E H 3< S+ 0 0 112 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.777 104.5 53.8 -65.2 -24.5 -15.5 30.2 -2.3 488 504 A S H << S+ 0 0 48 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.678 92.4 94.6 -83.1 -16.1 -12.9 29.2 -4.9 489 505 A L S << S- 0 0 10 -3,-1.1 2,-0.1 -4,-0.8 -3,-0.0 -0.049 82.8 -87.7 -69.3 176.2 -15.6 28.8 -7.6 490 506 A D > - 0 0 4 1,-0.1 4,-2.2 -396,-0.0 3,-0.3 -0.277 32.0-100.6 -92.2 173.7 -16.5 31.6 -10.0 491 507 A N H > S+ 0 0 74 -398,-2.1 4,-2.1 1,-0.2 5,-0.1 0.757 118.7 57.3 -60.1 -28.4 -19.0 34.5 -10.0 492 508 A V H > S+ 0 0 9 -399,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.911 107.6 46.0 -72.6 -44.1 -21.5 32.7 -12.1 493 509 A Y H > S+ 0 0 0 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.925 113.2 51.9 -58.5 -43.8 -21.8 29.8 -9.7 494 510 A K H X S+ 0 0 64 -4,-2.2 4,-3.0 2,-0.2 5,-0.5 0.902 108.4 49.5 -65.2 -39.7 -22.0 32.3 -6.8 495 511 A R H X>S+ 0 0 107 -4,-2.1 5,-2.7 1,-0.2 4,-2.1 0.962 114.2 44.9 -62.1 -51.8 -24.8 34.2 -8.5 496 512 A C H <>S+ 0 0 0 -4,-2.2 6,-2.2 3,-0.2 5,-1.6 0.899 121.5 40.6 -55.7 -45.1 -26.8 31.0 -9.1 497 513 A R H <5S+ 0 0 24 -4,-2.8 -2,-0.2 4,-0.2 -3,-0.2 0.992 128.2 23.9 -70.2 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-58.9 -46.1 -13.4 2.7 -8.6 520 536 A M H X S+ 0 0 66 -4,-1.8 4,-2.1 1,-0.2 5,-0.2 0.891 109.7 52.4 -60.7 -41.0 -10.3 1.9 -10.7 521 537 A D H X S+ 0 0 97 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.923 108.8 51.3 -59.8 -42.6 -11.2 -1.8 -10.4 522 538 A F H X S+ 0 0 34 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.927 111.0 46.2 -60.4 -47.9 -14.7 -1.0 -11.6 523 539 A F H >< S+ 0 0 40 -4,-2.3 3,-0.7 1,-0.2 4,-0.2 0.901 112.4 47.8 -65.5 -43.4 -13.6 1.0 -14.7 524 540 A I H 3< S+ 0 0 88 -4,-2.1 4,-0.4 1,-0.3 3,-0.3 0.701 105.0 60.9 -74.9 -16.9 -11.0 -1.4 -15.9 525 541 A S H 3< S+ 0 0 83 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.728 104.9 49.6 -73.5 -23.9 -13.5 -4.2 -15.5 526 542 A Q S << S- 0 0 118 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.496 139.0 -81.6 -85.3 -6.7 -15.5 -2.2 -18.1 527 543 A G 0 0 56 -3,-0.3 -2,-0.2 -4,-0.2 -1,-0.1 0.304 360.0 360.0 102.9 123.0 -12.3 -2.1 -20.2 528 544 A A 0 0 99 -4,-0.4 -4,-0.1 -3,-0.1 -3,-0.1 0.263 360.0 360.0 176.8 360.0 -9.5 0.3 -19.7 529 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 530 549 A Y 0 0 112 0, 0.0 2,-0.4 0, 0.0 -10,-0.0 0.000 360.0 360.0 360.0 131.8 -5.8 5.1 -16.0 531 550 A K - 0 0 188 -11,-0.0 3,-0.0 0, 0.0 0, 0.0 -0.992 360.0-100.0-131.4 141.1 -6.6 8.3 -14.2 532 551 A T - 0 0 14 -2,-0.4 -85,-0.0 1,-0.1 -16,-0.0 -0.419 45.9-116.6 -55.4 122.0 -9.5 8.9 -11.7 533 552 A P - 0 0 42 0, 0.0 -84,-0.2 0, 0.0 -1,-0.1 -0.395 14.6-140.5 -63.9 144.5 -12.2 10.6 -13.8 534 553 A R S S+ 0 0 60 -86,-0.2 2,-0.3 1,-0.1 -85,-0.2 0.632 86.6 25.2 -88.6 -14.1 -12.8 14.1 -12.3 535 554 A C S S- 0 0 28 -87,-0.2 2,-0.5 -73,-0.0 -85,-0.2 -0.975 76.3-139.4-139.4 156.0 -16.5 13.8 -12.8 536 555 A I + 0 0 4 -87,-1.8 -85,-0.3 -2,-0.3 -88,-0.0 -0.964 28.9 160.3-118.3 126.2 -18.7 10.7 -13.0 537 556 A K + 0 0 169 -2,-0.5 2,-0.6 -87,-0.1 -1,-0.1 0.367 50.2 100.3-123.2 1.0 -21.6 10.4 -15.5 538 557 A S > - 0 0 47 1,-0.1 4,-2.4 2,-0.0 5,-0.2 -0.790 63.5-149.1 -88.2 122.5 -21.9 6.6 -15.4 539 558 A G H > S+ 0 0 48 -2,-0.6 4,-1.7 1,-0.2 -1,-0.1 0.822 96.7 51.0 -59.6 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29.2 167.1 -66.8 129.4 -19.9 6.9 1.4 550 569 A V E + 0 0 76 -40,-3.0 2,-0.3 1,-0.3 -39,-0.2 0.588 64.4 16.6-116.0 -19.4 -19.3 7.1 5.1 551 570 A A E -T 510 0E 18 -41,-1.5 -41,-2.4 2,-0.0 2,-0.4 -0.987 58.8-152.3-156.7 148.8 -20.2 10.7 5.9 552 571 A K E +T 509 0E 118 -2,-0.3 2,-0.3 -43,-0.2 -43,-0.2 -0.977 14.9 176.1-127.3 132.8 -21.9 13.7 4.3 553 572 A F E -T 508 0E 12 -45,-2.6 -45,-2.5 -2,-0.4 2,-0.3 -0.933 11.0-154.1-133.0 160.6 -21.3 17.4 4.8 554 573 A F E -T 507 0E 101 -2,-0.3 -47,-0.2 -47,-0.3 -71,-0.2 -0.964 16.9-118.9-135.9 146.7 -22.6 20.6 3.3 555 574 A S 0 0 3 -49,-2.5 -75,-0.1 -2,-0.3 -76,-0.0 -0.190 360.0 360.0 -70.0 169.5 -21.4 24.2 2.8 556 575 A I 0 0 157 -77,-0.2 -1,-0.1 -76,-0.1 -76,-0.1 0.219 360.0 360.0 146.6 360.0 -23.1 27.2 4.3