==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 25-JAN-10 2X3K . COMPND 2 MOLECULE: ACSD; . SOURCE 2 ORGANISM_SCIENTIFIC: ERWINIA CHRYSANTHEMI; . AUTHOR S.SCHMELZ,J.H.NAISMITH . 1145 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44672.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 780 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 175 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 60 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 368 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 2.6 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 8 2 1 5 7 2 0 2 0 2 0 0 2 2 0 1 1 2 2 0 1 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 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 0 0 PARALLEL BRIDGES PER LADDER . 9 9 8 2 6 4 2 0 0 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 . 2 6 2 0 4 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 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 7 A D > 0 0 136 0, 0.0 4,-2.0 0, 0.0 138,-0.1 0.000 360.0 360.0 360.0 -67.9 -8.5 13.5 37.8 2 8 A V H > + 0 0 84 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.881 360.0 46.7 -69.5 -40.4 -6.0 12.6 35.0 3 9 A L H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.920 111.9 50.7 -62.9 -41.5 -6.8 16.0 33.6 4 10 A S H > S+ 0 0 12 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.893 108.9 51.8 -63.3 -40.0 -6.4 17.5 37.1 5 11 A R H X S+ 0 0 109 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.938 109.1 49.2 -63.7 -48.8 -3.0 15.8 37.5 6 12 A M H X S+ 0 0 13 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.903 106.8 55.5 -61.7 -40.8 -1.7 17.1 34.2 7 13 A I H X S+ 0 0 7 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.930 112.0 45.1 -54.7 -42.2 -2.9 20.7 35.1 8 14 A S H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 5,-0.3 0.860 109.6 52.6 -72.6 -35.7 -0.8 20.4 38.3 9 15 A E H X S+ 0 0 40 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.953 112.7 47.2 -65.6 -42.6 2.3 18.9 36.7 10 16 A K H X S+ 0 0 58 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.918 113.3 47.8 -59.3 -46.9 2.2 21.8 34.2 11 17 A A H X S+ 0 0 18 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.859 114.7 44.4 -60.5 -44.6 1.7 24.4 37.0 12 18 A A H X S+ 0 0 20 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.861 111.2 53.6 -70.9 -41.2 4.6 23.0 39.2 13 19 A L H X S+ 0 0 18 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.937 108.7 50.7 -59.3 -44.6 6.9 22.6 36.3 14 20 A H H X S+ 0 0 44 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.918 109.1 49.7 -61.7 -46.7 6.4 26.3 35.4 15 21 A G H X S+ 0 0 8 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.857 113.4 46.6 -56.9 -38.4 7.0 27.5 38.9 16 22 A L H X S+ 0 0 4 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.849 109.3 53.9 -76.8 -36.2 10.3 25.6 39.1 17 23 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.905 104.7 56.4 -61.4 -42.0 11.3 26.8 35.7 18 24 A N H X S+ 0 0 15 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.896 107.0 49.1 -55.1 -44.1 10.8 30.4 37.0 19 25 A C H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 5,-0.3 0.899 111.2 49.2 -64.3 -39.9 13.2 29.7 39.8 20 26 A L H X>S+ 0 0 2 -4,-1.8 5,-1.9 2,-0.2 4,-1.3 0.915 114.7 43.7 -68.9 -46.3 15.8 28.3 37.4 21 27 A I H <>S+ 0 0 0 -4,-2.6 5,-2.0 4,-0.2 -2,-0.2 0.958 120.8 41.3 -60.1 -51.7 15.6 31.2 35.0 22 28 A K H <5S+ 0 0 7 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.834 123.4 32.7 -68.6 -35.6 15.6 33.8 37.7 23 29 A E H <5S+ 0 0 3 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.528 134.4 4.2-107.9 -8.1 18.2 32.4 40.2 24 30 A F T X5S+ 0 0 2 -4,-1.3 4,-2.9 -5,-0.3 5,-0.3 0.454 120.2 50.6-134.4 -71.8 20.8 30.6 38.0 25 31 A A H >XS+ 0 0 0 -5,-1.9 5,-2.8 2,-0.2 4,-0.9 0.861 117.2 35.1 -46.6 -62.9 20.4 30.9 34.2 26 32 A I H >4 + 0 0 37 -2,-0.3 3,-2.3 -3,-0.1 -1,-0.1 0.489 32.3 137.1-103.4 -6.7 16.1 19.3 16.6 40 46 A K T 3 S+ 0 0 114 1,-0.3 56,-2.2 55,-0.1 -2,-0.0 -0.154 73.2 27.6 -51.6 128.7 16.0 15.5 16.4 41 47 A G T 3 S+ 0 0 44 1,-0.2 -1,-0.3 54,-0.2 634,-0.1 -0.147 98.7 99.6 107.6 -38.3 13.8 14.1 19.2 42 48 A I S < S- 0 0 10 -3,-2.3 -1,-0.2 55,-0.1 5,-0.0 -0.762 74.5-129.2 -78.2 120.0 11.6 17.3 19.4 43 49 A P > - 0 0 8 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.357 16.2-118.4 -69.8 148.8 8.3 16.8 17.4 44 50 A P G >> S+ 0 0 40 0, 0.0 4,-2.0 0, 0.0 3,-1.4 0.857 111.9 62.6 -55.2 -38.9 7.3 19.5 14.8 45 51 A G G 34 S+ 0 0 29 1,-0.3 -3,-0.0 2,-0.2 0, 0.0 0.631 89.7 67.9 -62.6 -19.9 4.2 20.2 16.8 46 52 A A G <4 S+ 0 0 9 -3,-1.9 -1,-0.3 1,-0.1 25,-0.2 0.764 121.3 12.9 -73.3 -24.5 6.2 21.4 19.9 47 53 A Y T <4 S+ 0 0 27 -3,-1.4 7,-2.2 -4,-0.5 2,-0.4 0.451 121.0 63.7-127.2 -11.2 7.5 24.6 18.0 48 54 A F B < -F 53 0B 10 -4,-2.0 5,-0.2 5,-0.2 -1,-0.2 -0.971 50.0-172.7-128.3 126.5 5.3 24.8 14.9 49 55 A D - 0 0 92 3,-2.1 4,-0.1 -2,-0.4 -1,-0.1 0.530 61.7 -87.4 -97.2 -5.4 1.6 25.5 14.9 50 56 A G S S+ 0 0 4 2,-0.4 3,-0.1 531,-0.0 538,-0.1 -0.097 121.1 34.7 123.0 -33.8 0.9 25.0 11.1 51 57 A A S S- 0 0 32 1,-0.3 2,-0.2 914,-0.1 534,-0.1 0.673 122.7 -5.9-116.3 -28.2 1.5 28.6 10.0 52 58 A D S S- 0 0 92 912,-0.1 -3,-2.1 533,-0.0 -2,-0.4 -0.871 84.5 -65.0-162.1 174.2 4.4 30.0 12.1 53 59 A W B -F 48 0B 70 -2,-0.2 2,-2.6 -5,-0.2 -5,-0.2 -0.696 47.6-120.3 -82.8 133.7 6.7 29.4 15.1 54 60 A K S S- 0 0 58 -7,-2.2 2,-0.3 -2,-0.4 30,-0.2 -0.464 72.3 -64.6 -67.8 69.6 4.8 29.2 18.4 55 61 A G S S- 0 0 38 -2,-2.6 18,-0.2 18,-0.1 -2,-0.1 -0.658 90.2 -23.8 90.0-141.2 6.8 32.1 19.8 56 62 A I E - B 0 72A 38 16,-2.9 16,-2.8 -2,-0.3 2,-0.3 -0.943 59.0-114.0-120.3 136.2 10.6 32.3 20.5 57 63 A P E - B 0 71A 10 0, 0.0 2,-0.4 0, 0.0 -23,-0.3 -0.515 30.2-161.2 -63.1 127.4 13.1 29.4 21.2 58 64 A M E - B 0 70A 0 12,-1.4 12,-1.9 -2,-0.3 2,-0.4 -0.966 10.5-177.5-117.5 138.0 14.5 29.4 24.7 59 65 A M E -AB 32 69A 17 -27,-2.4 -27,-2.6 -2,-0.4 2,-0.4 -0.966 11.8-167.6-140.7 137.1 17.7 27.6 25.6 60 66 A I E -AB 31 68A 1 8,-1.9 8,-1.9 -2,-0.4 2,-0.8 -0.978 12.4-150.6-133.5 122.0 19.8 26.9 28.7 61 67 A G E - B 0 67A 38 -31,-2.6 6,-0.2 -2,-0.4 5,-0.0 -0.812 14.6-164.0 -88.9 110.1 23.3 25.5 29.0 62 68 A L E > - B 0 66A 5 4,-2.6 4,-1.1 -2,-0.8 3,-0.5 -0.845 24.0-128.5-101.8 108.1 23.6 23.7 32.3 63 69 A P T 4 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.495 98.7 76.6 -27.7 -21.7 27.3 23.1 33.2 64 70 A D T 4 S- 0 0 48 2,-0.1 3,-0.1 1,-0.1 47,-0.0 0.118 123.3 -91.5 -84.6 26.7 26.7 19.3 33.8 65 71 A Q T 4 S+ 0 0 132 -3,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.204 93.5 126.3 79.9 -9.8 26.5 18.4 30.0 66 72 A L E < -B 62 0A 3 -4,-1.1 -4,-2.6 41,-0.1 2,-0.3 -0.596 38.9-172.8 -85.9 137.2 22.7 19.0 30.2 67 73 A Q E -BC 61 90A 56 23,-2.1 23,-1.8 -2,-0.3 2,-0.4 -0.973 6.8-152.1-128.5 151.1 20.8 21.4 27.9 68 74 A L E -BC 60 89A 0 -8,-1.9 -8,-1.9 -2,-0.3 2,-0.4 -0.931 6.7-168.5-127.5 142.0 17.2 22.6 27.9 69 75 A F E +BC 59 88A 0 19,-1.9 19,-2.1 -2,-0.4 2,-0.3 -0.992 15.8 156.1-130.0 134.3 14.7 23.8 25.3 70 76 A V E -B 58 0A 0 -12,-1.9 -12,-1.4 -2,-0.4 2,-0.4 -0.933 37.5-124.7-155.8 132.2 11.3 25.5 25.8 71 77 A M E -B 57 0A 0 15,-0.4 13,-3.1 -2,-0.3 14,-0.7 -0.652 34.3-173.5 -80.9 133.8 9.3 27.8 23.6 72 78 A V E -BD 56 83A 0 -16,-2.8 -16,-2.9 -2,-0.4 11,-0.2 -0.858 30.8-130.2-127.6 160.4 8.4 31.1 25.3 73 79 A D S S+ 0 0 19 9,-1.7 2,-0.3 -2,-0.3 10,-0.1 0.496 81.1 3.0 -88.8 -6.5 6.2 34.0 24.4 74 80 A R - 0 0 11 8,-0.2 2,-0.5 -18,-0.1 -1,-0.1 -0.992 67.5-102.5-167.7 163.3 8.7 36.9 25.0 75 81 A R + 0 0 163 -2,-0.3 2,-0.4 -3,-0.1 -42,-0.0 -0.870 45.2 176.4 -94.6 133.4 12.2 38.0 26.0 76 82 A D > - 0 0 16 -2,-0.5 3,-1.1 1,-0.1 -2,-0.1 -0.973 35.6-148.3-149.7 126.6 12.2 39.3 29.7 77 83 A T T 3 S+ 0 0 41 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.689 102.8 47.0 -61.1 -25.0 14.9 40.5 32.0 78 84 A F T 3 S- 0 0 0 2,-0.1 -1,-0.2 495,-0.1 3,-0.1 0.476 116.9-105.1-100.0 -2.4 13.1 39.1 35.1 79 85 A G S < S+ 0 0 0 -3,-1.1 2,-0.7 1,-0.2 -57,-0.2 0.728 71.8 144.8 76.9 26.0 12.3 35.6 33.7 80 86 A S + 0 0 3 -59,-0.1 2,-0.3 -58,-0.0 -1,-0.2 -0.868 20.1 122.1 -98.9 105.6 8.6 36.5 33.3 81 87 A Q - 0 0 4 -2,-0.7 2,-0.5 -3,-0.1 429,-0.0 -0.962 61.3-110.0-154.0 157.6 7.2 34.7 30.2 82 88 A H - 0 0 29 -2,-0.3 -9,-1.7 2,-0.0 2,-0.6 -0.841 34.3-131.7 -88.0 128.7 4.5 32.3 29.2 83 89 A Y B -D 72 0A 16 -2,-0.5 -11,-0.3 -11,-0.2 -69,-0.0 -0.741 20.4-172.4 -85.9 122.5 5.9 28.8 28.3 84 90 A L + 0 0 65 -13,-3.1 2,-0.3 -2,-0.6 -12,-0.2 0.283 60.3 36.4-104.4 12.1 4.4 27.6 25.0 85 91 A S S S- 0 0 11 -14,-0.7 -39,-0.1 -38,-0.0 -38,-0.1 -0.969 85.7 -88.9-147.5 168.5 5.7 24.0 24.8 86 92 A D - 0 0 29 -2,-0.3 2,-0.4 1,-0.1 -15,-0.4 -0.215 56.9 -95.7 -60.4 168.3 6.6 21.0 26.9 87 93 A V - 0 0 2 12,-0.2 2,-0.3 -17,-0.1 -17,-0.2 -0.777 37.8-162.2 -99.4 138.9 10.2 20.9 28.2 88 94 A Y E -C 69 0A 4 -19,-2.1 -19,-1.9 -2,-0.4 2,-0.3 -0.900 5.3-170.1-119.1 143.9 12.9 19.1 26.3 89 95 A L E +CE 68 97A 0 8,-2.3 8,-1.1 -2,-0.3 2,-0.3 -0.981 5.5 178.9-136.6 150.2 16.3 17.9 27.6 90 96 A R E -C 67 0A 40 -23,-1.8 -23,-2.1 -2,-0.3 6,-0.1 -0.995 9.9-168.0-151.1 147.0 19.5 16.4 26.0 91 97 A Q 0 0 88 4,-0.3 -1,-0.1 -2,-0.3 5,-0.0 0.795 360.0 360.0 -93.7 -96.6 23.0 15.3 27.2 92 98 A A 0 0 97 3,-0.1 -27,-0.0 -26,-0.0 -26,-0.0 0.668 360.0 360.0-127.0 360.0 25.8 14.5 24.8 93 ! 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 94 100 A G 0 0 56 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.6 22.1 12.6 22.6 95 101 A D - 0 0 91 1,-0.1 -4,-0.3 -5,-0.1 -54,-0.2 -0.277 360.0 -96.4 -66.5 157.8 18.7 13.3 21.1 96 102 A W + 0 0 7 -56,-2.2 2,-0.3 -6,-0.1 -6,-0.2 -0.399 47.9 177.9 -70.6 155.5 16.2 15.6 22.8 97 103 A Q B -E 89 0A 97 -8,-1.1 -8,-2.3 -2,-0.1 -55,-0.1 -0.962 29.8-132.0-154.4 166.6 13.5 14.0 24.9 98 104 A C - 0 0 36 -2,-0.3 521,-0.2 -10,-0.2 -10,-0.1 -0.844 27.6-160.1-130.6 95.9 10.6 14.9 27.2 99 105 A P - 0 0 22 0, 0.0 -12,-0.2 0, 0.0 -2,-0.0 -0.289 26.1 -98.8 -74.1 156.8 10.6 13.1 30.5 100 106 A D > - 0 0 123 1,-0.1 4,-2.7 4,-0.1 5,-0.2 -0.095 49.9 -88.7 -57.4 171.8 7.7 12.7 32.8 101 107 A F H > S+ 0 0 8 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.906 122.4 47.8 -58.0 -55.1 7.3 15.1 35.8 102 108 A E H > S+ 0 0 86 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.952 117.7 40.7 -55.5 -54.5 9.3 13.3 38.4 103 109 A P H > S+ 0 0 60 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.926 115.1 54.1 -60.7 -39.2 12.3 12.6 36.2 104 110 A L H X S+ 0 0 5 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.921 112.3 42.8 -60.9 -43.9 12.0 16.1 34.7 105 111 A V H X S+ 0 0 0 -4,-3.3 4,-3.0 -5,-0.2 -1,-0.2 0.921 112.0 56.1 -61.8 -44.0 12.1 17.6 38.2 106 112 A A H X S+ 0 0 37 -4,-2.8 4,-2.8 -5,-0.2 -2,-0.2 0.939 109.8 42.9 -56.3 -53.0 14.9 15.2 39.2 107 113 A R H X S+ 0 0 64 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.856 113.9 50.3 -67.8 -37.1 17.3 16.3 36.4 108 114 A L H X S+ 0 0 2 -4,-1.7 4,-2.2 -5,-0.3 5,-0.2 0.957 112.8 48.2 -60.4 -49.2 16.5 20.0 36.8 109 115 A L H X S+ 0 0 9 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.960 108.7 52.8 -54.7 -53.3 17.2 19.7 40.5 110 116 A A H X S+ 0 0 33 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.874 108.3 51.8 -52.5 -41.3 20.4 17.8 39.9 111 117 A A H X S+ 0 0 0 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.925 110.4 45.9 -65.1 -44.5 21.7 20.6 37.6 112 118 A C H X S+ 0 0 2 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.823 112.1 54.0 -66.3 -28.6 21.0 23.4 40.1 113 119 A E H X>S+ 0 0 23 -4,-2.4 4,-2.0 -5,-0.2 5,-1.0 0.855 104.0 53.8 -72.0 -36.5 22.7 21.2 42.8 114 120 A H H <5S+ 0 0 127 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.743 108.9 49.6 -70.6 -27.7 25.8 20.8 40.7 115 121 A I H <5S+ 0 0 43 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.947 118.3 39.6 -66.8 -50.5 26.1 24.6 40.3 116 122 A A H <5S- 0 0 42 -4,-1.9 -2,-0.2 2,-0.2 -3,-0.2 0.690 100.8-133.2 -73.2 -24.0 25.6 25.0 44.1 117 123 A G T <5S+ 0 0 67 -4,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.515 75.7 95.8 75.5 8.2 27.8 22.0 45.1 118 124 A R < - 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0 0 23 -3,-2.0 4,-0.1 -4,-0.5 -112,-0.1 -0.451 58.6-149.5 -74.6 144.2 9.7 63.1 47.9 539 545 A K S S+ 0 0 136 -213,-0.1 -1,-0.1 -113,-0.1 -4,-0.0 0.512 81.7 44.1 -86.7 -9.9 10.6 65.1 51.0 540 546 A Q S S- 0 0 91 1,-0.0 -110,-0.1 2,-0.0 -2,-0.1 -0.894 98.6 -82.4-131.1 160.9 14.0 63.4 51.4 541 547 A P - 0 0 100 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.271 31.5-166.3 -65.2 155.2 16.9 62.4 49.0 542 548 A S >> + 0 0 10 1,-0.1 4,-1.5 -4,-0.1 3,-1.0 -0.452 21.0 160.8-137.4 60.4 16.7 59.1 47.0 543 549 A P H 3> S+ 0 0 80 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.683 81.0 56.0 -63.1 -9.6 20.0 58.2 45.5 544 550 A E H 3> S+ 0 0 35 2,-0.2 4,-1.8 1,-0.1 5,-0.1 0.786 102.1 53.7 -88.0 -31.4 18.7 54.6 45.1 545 551 A L H <> S+ 0 0 0 -3,-1.0 4,-2.2 2,-0.2 -1,-0.1 0.784 108.1 51.9 -69.8 -31.7 15.7 55.6 43.1 546 552 A D H X S+ 0 0 84 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.939 107.5 50.7 -68.1 -52.0 18.0 57.5 40.7 547 553 A A H <>S+ 0 0 41 -4,-1.3 5,-1.7 1,-0.2 -2,-0.2 0.906 112.8 47.8 -49.4 -44.9 20.2 54.4 40.2 548 554 A L H ><5S+ 0 0 4 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.934 109.7 50.9 -65.5 -50.8 17.0 52.4 39.5 549 555 A I H 3<5S+ 0 0 16 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.813 104.5 58.3 -52.5 -39.8 15.6 54.9 37.0 550 556 A A T 3<5S- 0 0 81 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.090 126.8 -98.9 -85.4 21.7 18.9 55.0 35.0 551 557 A G T < 5 + 0 0 30 -3,-1.5 24,-0.5 1,-0.2 -3,-0.2 0.756 64.6 159.2 71.1 33.6 18.6 51.2 34.5 552 558 A H < - 0 0 111 -5,-1.7 -1,-0.2 -4,-0.1 0, 0.0 -0.560 52.0 -80.2 -80.9 153.5 20.8 49.6 37.1 553 559 A P - 0 0 55 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.220 42.9-129.3 -66.9 141.3 20.1 45.9 38.1 554 560 A V E -V 573 0I 0 19,-2.2 19,-2.5 1,-0.1 2,-0.3 -0.565 22.3-109.7 -92.3 148.6 17.3 45.0 40.5 555 561 A A E -V 572 0I 1 -2,-0.2 2,-0.5 17,-0.2 17,-0.2 -0.590 33.0-162.5 -83.6 135.5 17.7 42.8 43.6 556 562 A C E -V 571 0I 2 15,-3.5 15,-2.9 -2,-0.3 2,-0.1 -0.975 10.3-139.9-128.3 123.0 16.1 39.3 43.4 557 563 A K E -V 570 0I 71 -2,-0.5 2,-0.2 13,-0.2 13,-0.2 -0.432 20.7-135.7 -76.4 149.1 15.3 37.0 46.3 558 564 A T + 0 0 1 11,-2.0 -1,-0.1 -2,-0.1 -539,-0.0 -0.678 26.3 176.0-107.1 157.2 15.8 33.3 45.8 559 565 A N S S+ 0 0 9 -2,-0.2 -1,-0.1 -540,-0.1 -392,-0.1 0.387 89.9 30.9-135.2 -14.4 13.6 30.4 46.8 560 566 A L S >> S+ 0 0 2 -541,-0.1 3,-0.9 -393,-0.1 4,-0.8 0.681 119.1 51.1-105.8 -43.1 15.6 27.5 45.3 561 567 A K H >> S+ 0 0 50 1,-0.3 4,-2.2 2,-0.2 3,-1.6 0.954 108.6 50.8 -63.1 -50.5 19.1 28.9 45.7 562 568 A V H 34 S+ 0 0 61 1,-0.3 -1,-0.3 2,-0.2 7,-0.1 0.640 108.5 55.6 -59.9 -16.1 18.7 29.8 49.4 563 569 A R H <4 S+ 0 0 22 -3,-0.9 -1,-0.3 1,-0.1 -2,-0.2 0.611 111.5 42.4 -90.3 -17.4 17.4 26.2 49.9 564 570 A L H << S+ 0 0 1 -3,-1.6 -2,-0.2 -4,-0.8 -3,-0.1 0.745 100.0 84.9 -95.5 -30.1 20.5 24.7 48.4 565 571 A A < 0 0 33 -4,-2.2 -448,-0.1 -5,-0.1 -449,-0.0 -0.376 360.0 360.0 -75.8 150.4 23.1 27.0 50.1 566 572 A A 0 0 122 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.095 360.0 360.0 -47.5 360.0 24.7 26.5 53.6 567 ! 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 0.0 568 578 A A 0 0 70 0, 0.0 -6,-0.1 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 -21.8 23.1 33.3 48.2 569 579 A S + 0 0 65 -8,-0.1 -11,-2.0 -7,-0.1 2,-0.3 0.742 360.0 32.9 -70.0 -22.3 19.8 34.6 49.6 570 580 A Y E -V 557 0I 73 -13,-0.2 2,-0.3 -9,-0.1 -13,-0.2 -0.933 59.6-175.5-134.5 155.7 19.8 37.2 46.7 571 581 A V E -V 556 0I 15 -15,-2.9 -15,-3.5 -2,-0.3 2,-0.5 -0.894 27.8-113.1-135.3 172.5 20.9 37.7 43.1 572 582 A R E -V 555 0I 114 -2,-0.3 -17,-0.2 -17,-0.2 -2,-0.0 -0.938 24.3-168.1-110.8 131.1 20.8 40.6 40.6 573 583 A L E -V 554 0I 0 -19,-2.5 -19,-2.2 -2,-0.5 -495,-0.1 -0.930 30.6-103.1-115.4 141.9 18.6 40.7 37.5 574 584 A P - 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