==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 01-NOV-07 3B8D . COMPND 2 MOLECULE: FRUCTOSE-BISPHOSPHATE ALDOLASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR A.MAURADY,J.SYGUSCH . 1452 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54622.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1022 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 154 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 1.9 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 91 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 156 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 522 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 1.8 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 5 0 0 4 0 0 7 5 6 4 4 2 0 0 3 1 4 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 10 2 14 0 0 0 4 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 . 6 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 0 4 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 1 A P 0 0 43 0, 0.0 2,-0.4 0, 0.0 1295,-0.1 0.000 360.0 360.0 360.0 178.6 33.8 -2.7 3.1 2 2 A H - 0 0 47 518,-0.1 1290,-0.0 1293,-0.1 1245,-0.0 -0.955 360.0-131.0-130.9 119.1 32.8 -5.5 5.5 3 3 A S + 0 0 51 -2,-0.4 1289,-0.0 1289,-0.1 479,-0.0 -0.059 26.5 169.3 -62.9 161.2 29.9 -5.3 8.0 4 4 A H - 0 0 56 3,-0.0 -2,-0.0 479,-0.0 -1,-0.0 -0.534 43.2-117.5-173.5 88.4 30.1 -6.3 11.7 5 5 A P - 0 0 112 0, 0.0 476,-0.2 0, 0.0 477,-0.1 -0.107 24.8-170.4 -40.2 112.5 26.9 -5.1 13.5 6 6 A A S S+ 0 0 25 214,-0.2 2,-0.3 474,-0.2 475,-0.1 0.733 76.1 28.4 -78.9 -22.5 27.8 -2.5 16.1 7 7 A L S S- 0 0 10 473,-0.1 -1,-0.1 474,-0.0 172,-0.1 -0.977 76.8-129.0-139.3 149.4 24.2 -2.7 17.4 8 8 A T > - 0 0 67 -2,-0.3 4,-2.4 1,-0.1 3,-0.5 -0.523 41.3 -97.8 -90.4 166.4 21.5 -5.3 17.5 9 9 A P H > S+ 0 0 91 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.865 125.6 50.1 -49.5 -40.6 17.9 -4.5 16.3 10 10 A E H > S+ 0 0 138 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.846 108.2 50.9 -69.6 -36.5 16.8 -3.9 19.9 11 11 A Q H > S+ 0 0 64 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.927 111.2 49.5 -67.5 -42.6 19.7 -1.5 20.7 12 12 A K H X S+ 0 0 73 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.919 110.5 50.2 -61.5 -44.5 18.9 0.4 17.5 13 13 A K H X S+ 0 0 126 -4,-2.2 4,-2.9 -5,-0.2 -1,-0.2 0.883 108.3 52.7 -62.3 -40.8 15.2 0.7 18.5 14 14 A E H X S+ 0 0 84 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.974 112.5 43.8 -58.6 -54.2 16.1 1.9 22.0 15 15 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.872 115.0 49.9 -57.6 -43.1 18.2 4.7 20.6 16 16 A S H X S+ 0 0 20 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.925 108.8 51.6 -64.0 -46.7 15.7 5.6 18.0 17 17 A D H X S+ 0 0 48 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.955 112.6 46.0 -55.8 -49.7 12.8 5.7 20.5 18 18 A I H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.919 112.6 49.0 -59.6 -49.2 14.7 8.1 22.8 19 19 A A H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.885 112.4 48.5 -58.7 -44.5 15.8 10.4 19.9 20 20 A H H < S+ 0 0 96 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.821 109.8 52.4 -66.9 -33.8 12.3 10.6 18.5 21 21 A R H >< S+ 0 0 120 -4,-1.9 3,-1.5 -5,-0.2 -2,-0.2 0.919 105.5 54.4 -68.8 -44.3 10.8 11.4 22.0 22 22 A I H 3< S+ 0 0 0 -4,-2.2 52,-0.2 1,-0.3 -1,-0.2 0.879 116.8 37.4 -56.8 -39.5 13.3 14.2 22.6 23 23 A V T 3< S+ 0 0 11 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 -0.001 80.3 145.6-106.3 29.3 12.3 15.9 19.4 24 24 A A X - 0 0 25 -3,-1.5 3,-2.2 1,-0.2 -3,-0.1 -0.301 68.7 -69.8 -61.1 149.2 8.5 15.1 19.3 25 25 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.2 0, 0.0 314,-0.1 -0.107 123.1 17.6 -45.1 135.1 6.5 18.0 17.7 26 26 A G T 3 S+ 0 0 5 1,-0.2 2,-0.3 312,-0.2 312,-0.1 0.356 106.2 110.9 82.2 -2.6 6.5 21.2 19.9 27 27 A K < + 0 0 65 -3,-2.2 -1,-0.2 311,-0.1 46,-0.2 -0.751 33.9 159.3-112.1 153.7 9.4 20.0 22.0 28 28 A G E -a 73 0A 0 44,-2.1 46,-3.3 -2,-0.3 47,-1.5 -0.732 37.7 -83.0-145.2-165.3 13.0 21.1 22.4 29 29 A I E -ab 75 300A 0 270,-2.5 272,-1.2 -2,-0.2 2,-0.8 -0.924 19.2-143.2-120.2 138.0 15.9 20.8 24.9 30 30 A L E -ab 76 301A 1 45,-2.7 47,-2.4 -2,-0.4 2,-1.3 -0.862 15.9-155.9 -95.9 109.3 16.8 22.9 28.0 31 31 A A E +a 77 0A 7 270,-2.0 274,-0.1 -2,-0.8 47,-0.1 -0.702 36.9 145.7 -88.7 90.1 20.6 23.2 28.1 32 32 A A + 0 0 1 45,-1.5 47,-0.5 -2,-1.3 2,-0.4 -0.035 29.4 116.6-114.4 29.9 21.2 23.8 31.8 33 33 A D + 0 0 11 45,-0.3 2,-0.2 73,-0.0 45,-0.1 -0.194 37.9 162.5 -92.9 43.5 24.5 22.0 31.9 34 34 A E - 0 0 22 -2,-0.4 45,-0.1 45,-0.1 -2,-0.0 -0.439 38.6-121.6 -67.4 130.0 26.6 25.0 32.8 35 35 A S > - 0 0 44 -2,-0.2 4,-2.9 1,-0.1 5,-0.5 -0.200 31.1 -97.5 -65.7 163.6 30.0 24.0 34.3 36 36 A T H > S+ 0 0 56 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.914 130.1 45.5 -49.4 -44.7 31.0 25.1 37.7 37 37 A G H > S+ 0 0 38 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.800 114.2 49.0 -70.7 -29.2 33.0 27.9 36.1 38 38 A S H > S+ 0 0 40 -3,-0.5 4,-1.7 2,-0.2 3,-0.4 0.968 112.5 43.5 -75.5 -54.7 30.1 28.8 33.7 39 39 A I H X S+ 0 0 4 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.835 109.3 61.8 -60.7 -29.2 27.2 29.0 36.2 40 40 A A H X S+ 0 0 10 -4,-1.5 4,-3.2 -5,-0.5 -1,-0.2 0.935 101.6 51.5 -61.9 -44.8 29.6 30.9 38.4 41 41 A K H X S+ 0 0 132 -4,-1.2 4,-2.2 -3,-0.4 -2,-0.2 0.948 112.6 43.6 -57.8 -52.3 29.9 33.6 35.8 42 42 A R H X S+ 0 0 72 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.881 115.6 49.6 -62.7 -38.3 26.1 34.0 35.4 43 43 A L H ><>S+ 0 0 2 -4,-2.6 5,-1.4 -5,-0.2 3,-0.6 0.937 111.9 47.2 -65.9 -46.0 25.6 33.9 39.2 44 44 A Q H ><5S+ 0 0 97 -4,-3.2 3,-1.9 1,-0.2 -2,-0.2 0.834 102.3 64.3 -64.4 -34.6 28.3 36.5 39.8 45 45 A S H 3<5S+ 0 0 44 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.841 109.7 39.6 -58.7 -33.4 26.9 38.8 37.2 46 46 A I T <<5S- 0 0 30 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.194 120.6-108.6-100.9 14.7 23.8 39.1 39.3 47 47 A G T < 5S+ 0 0 66 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.280 73.4 138.8 79.1 -11.7 25.7 39.3 42.6 48 48 A T < - 0 0 14 -5,-1.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.395 56.8-109.1 -69.4 141.6 24.6 35.8 43.7 49 49 A E - 0 0 145 -2,-0.1 2,-1.1 -3,-0.1 -1,-0.1 -0.359 20.4-125.9 -70.7 148.1 27.2 33.6 45.3 50 50 A N + 0 0 51 4,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.774 55.3 137.7 -97.2 88.9 28.6 30.6 43.5 51 51 A T > - 0 0 60 -2,-1.1 4,-2.4 1,-0.1 3,-0.4 -0.950 66.9-114.5-129.6 153.6 27.9 27.7 46.0 52 52 A E H > S+ 0 0 108 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.863 120.5 56.7 -54.3 -33.4 26.6 24.2 45.3 53 53 A E H > S+ 0 0 127 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.920 106.2 47.4 -64.0 -44.2 23.6 25.3 47.4 54 54 A N H > S+ 0 0 18 -3,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.925 113.8 48.1 -63.8 -43.6 22.9 28.2 45.1 55 55 A R H X S+ 0 0 25 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.905 108.6 53.2 -63.3 -43.8 23.3 26.0 42.0 56 56 A R H X S+ 0 0 50 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.887 112.3 45.9 -60.0 -39.8 21.0 23.3 43.4 57 57 A F H X S+ 0 0 19 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.927 112.7 48.8 -69.7 -47.0 18.3 26.0 44.0 58 58 A Y H X S+ 0 0 7 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.952 115.8 43.3 -57.8 -52.0 18.7 27.6 40.6 59 59 A R H X S+ 0 0 1 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.930 112.1 55.1 -59.3 -44.7 18.5 24.2 38.8 60 60 A Q H X S+ 0 0 16 -4,-2.4 4,-1.5 -5,-0.3 -2,-0.2 0.926 104.8 53.6 -52.3 -50.4 15.6 23.2 41.1 61 61 A L H < S+ 0 0 0 -4,-2.8 3,-0.3 2,-0.2 -1,-0.2 0.919 114.6 40.3 -51.8 -49.2 13.7 26.3 40.1 62 62 A L H >< S+ 0 0 2 -4,-1.8 3,-2.1 1,-0.2 -2,-0.2 0.978 111.6 55.1 -66.0 -55.7 14.0 25.5 36.4 63 63 A L H 3< S+ 0 0 9 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.665 113.1 43.5 -54.4 -19.9 13.4 21.8 36.8 64 64 A T T 3< S+ 0 0 50 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.117 75.6 145.0-117.1 23.2 10.1 22.4 38.6 65 65 A A < - 0 0 0 -3,-2.1 4,-0.2 1,-0.1 5,-0.1 -0.263 67.5 -69.9 -56.1 149.0 8.6 25.1 36.5 66 66 A D > - 0 0 53 1,-0.2 3,-2.7 2,-0.1 4,-0.3 0.014 52.6 -97.9 -44.2 147.4 4.7 24.7 36.3 67 67 A D G > S+ 0 0 122 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.521 113.1 85.8 -45.2 -13.1 3.4 21.8 34.3 68 68 A R G 3 S+ 0 0 122 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.734 85.4 56.9 -62.6 -22.3 2.8 24.2 31.4 69 69 A V G X> S+ 0 0 4 -3,-2.7 3,-2.5 1,-0.2 4,-1.7 0.774 81.5 87.2 -80.6 -26.1 6.5 23.5 30.5 70 70 A N T <4 S+ 0 0 45 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.799 90.2 45.6 -41.8 -48.2 6.0 19.7 30.1 71 71 A P T 34 S+ 0 0 69 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.514 113.4 51.5 -77.2 -7.4 4.9 19.8 26.4 72 72 A C T <4 S+ 0 0 1 -3,-2.5 -44,-2.1 1,-0.1 2,-0.7 0.741 98.6 69.3 -99.7 -27.3 7.7 22.2 25.5 73 73 A I E < +a 28 0A 11 -4,-1.7 -44,-0.2 -46,-0.2 -1,-0.1 -0.812 43.1 166.6-101.9 110.6 10.7 20.3 27.0 74 74 A G E S- 0 0 4 -46,-3.3 29,-1.8 -2,-0.7 2,-0.3 0.727 73.4 -1.4 -88.8 -23.5 11.7 17.1 25.3 75 75 A G E -ac 29 103A 0 -47,-1.5 -45,-2.7 27,-0.2 2,-0.4 -0.996 55.3-143.2-163.1 158.9 15.0 16.9 27.2 76 76 A V E -ac 30 104A 6 27,-2.3 29,-2.3 -2,-0.3 2,-0.6 -0.997 13.7-148.1-131.6 125.6 17.2 18.5 29.7 77 77 A I E -ac 31 105A 0 -47,-2.4 -45,-1.5 -2,-0.4 2,-0.3 -0.853 25.4-172.1 -92.7 119.6 21.0 18.5 29.5 78 78 A L E - c 0 106A 0 27,-2.5 29,-1.7 -2,-0.6 -45,-0.3 -0.813 23.2-120.7-114.0 156.3 22.5 18.5 33.0 79 79 A F >> - 0 0 45 -47,-0.5 4,-1.3 -2,-0.3 3,-0.5 -0.653 41.1-100.5 -88.4 152.7 26.1 18.9 34.3 80 80 A H H >> S+ 0 0 85 -2,-0.3 3,-0.9 27,-0.3 4,-0.6 0.848 119.2 55.6 -36.4 -61.6 27.4 16.0 36.3 81 81 A E H >4 S+ 0 0 30 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.894 106.5 50.2 -41.5 -53.8 26.8 17.7 39.7 82 82 A T H X4 S+ 0 0 0 -3,-0.5 3,-1.6 1,-0.3 -1,-0.3 0.786 96.9 67.9 -61.3 -31.5 23.1 18.2 39.1 83 83 A L H << S+ 0 0 6 -4,-1.3 -1,-0.3 -3,-0.9 -2,-0.2 0.734 108.0 41.4 -62.7 -20.3 22.5 14.6 38.0 84 84 A Y T << S+ 0 0 107 -3,-1.7 -1,-0.3 -4,-0.6 2,-0.2 0.210 95.3 95.9-113.4 13.6 23.2 13.7 41.6 85 85 A Q < - 0 0 16 -3,-1.6 8,-2.6 -4,-0.1 2,-0.3 -0.665 62.5-137.6-100.6 160.7 21.4 16.5 43.5 86 86 A K B -I 92 0B 117 6,-0.3 2,-0.1 -2,-0.2 -26,-0.1 -0.851 12.5-115.6-121.0 154.7 17.9 16.2 44.9 87 87 A A > - 0 0 5 4,-3.2 3,-2.9 -2,-0.3 4,-0.2 -0.377 47.2 -89.6 -78.5 166.2 14.8 18.5 45.0 88 88 A D T 3 S+ 0 0 124 1,-0.3 -1,-0.1 2,-0.2 -31,-0.0 0.624 126.0 59.6 -53.1 -17.1 13.5 19.8 48.3 89 89 A D T 3 S- 0 0 110 2,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.457 121.2-103.7 -92.0 -1.0 11.2 16.8 48.6 90 90 A G S < S+ 0 0 48 -3,-2.9 -2,-0.2 1,-0.3 3,-0.0 0.558 77.8 135.9 90.7 10.3 14.1 14.4 48.6 91 91 A R - 0 0 85 -4,-0.2 -4,-3.2 1,-0.1 -1,-0.3 -0.761 62.6-108.0 -95.5 133.5 13.6 13.2 45.0 92 92 A P B >> -I 86 0B 51 0, 0.0 3,-1.2 0, 0.0 4,-1.0 -0.429 28.9-121.0 -58.9 128.7 16.6 12.9 42.7 93 93 A F H >> S+ 0 0 0 -8,-2.6 4,-1.6 1,-0.3 3,-1.0 0.797 110.0 56.5 -40.8 -46.8 16.6 15.7 40.1 94 94 A P H 3> S+ 0 0 5 0, 0.0 4,-2.9 0, 0.0 3,-0.4 0.926 104.8 53.5 -56.8 -40.0 16.5 13.3 37.1 95 95 A Q H <> S+ 0 0 84 -3,-1.2 4,-1.9 1,-0.3 -2,-0.2 0.737 104.3 55.7 -64.3 -26.2 13.3 11.7 38.5 96 96 A V H S+ 0 0 6 -4,-1.6 5,-2.3 -3,-0.4 -2,-0.2 0.919 113.4 49.7 -74.3 -45.2 12.5 15.6 34.9 98 98 A K H ><5S+ 0 0 72 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.892 106.9 56.0 -59.7 -42.7 11.3 12.1 34.1 99 99 A S H 3<5S+ 0 0 66 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.860 104.1 53.9 -59.4 -37.1 8.1 12.8 36.0 100 100 A K T 3<5S- 0 0 30 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.296 125.2-101.4 -82.4 11.3 7.4 15.8 33.9 101 101 A G T < 5S+ 0 0 62 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.459 80.6 130.5 84.8 2.1 7.7 13.8 30.7 102 102 A G < - 0 0 9 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.3 -0.567 54.8-123.7 -95.1 156.6 11.3 14.9 29.9 103 103 A V E -c 75 0A 16 -29,-1.8 -27,-2.3 -2,-0.2 2,-0.4 -0.704 25.6-125.3 -94.0 144.4 14.4 12.9 28.9 104 104 A V E -c 76 0A 0 37,-0.5 39,-3.1 -2,-0.3 40,-1.6 -0.737 27.9-178.9 -94.4 136.5 17.6 13.2 30.9 105 105 A G E -cd 77 144A 0 -29,-2.3 -27,-2.5 -2,-0.4 2,-0.3 -0.918 10.4-153.3-130.4 156.8 20.9 14.1 29.3 106 106 A I E -cd 78 145A 1 38,-1.6 40,-1.6 -2,-0.3 2,-0.4 -0.965 20.6-121.2-134.0 143.0 24.5 14.6 30.7 107 107 A K E + d 0 146A 38 -29,-1.7 -27,-0.3 -2,-0.3 40,-0.2 -0.730 35.4 169.4 -79.4 132.0 27.5 16.6 29.5 108 108 A V + 0 0 0 38,-2.2 39,-0.2 -2,-0.4 -1,-0.1 0.608 36.1 100.0-121.8 -17.7 30.4 14.2 28.9 109 109 A D - 0 0 25 37,-0.9 17,-0.3 1,-0.1 3,-0.1 -0.318 61.8-141.3 -71.4 156.8 33.2 16.1 27.1 110 110 A K - 0 0 92 15,-3.5 16,-0.2 1,-0.3 -1,-0.1 -0.062 54.0 -91.6-106.8 27.1 36.2 17.3 29.1 111 111 A G - 0 0 28 14,-0.2 14,-2.2 37,-0.1 -1,-0.3 0.156 51.2 -57.7 85.8 160.6 36.6 20.6 27.3 112 112 A V E -J 124 0C 68 12,-0.2 12,-0.3 -3,-0.1 37,-0.1 -0.471 42.9-161.9 -81.5 146.4 38.6 21.8 24.3 113 113 A V E -J 123 0C 24 10,-2.5 10,-2.2 -2,-0.2 -2,-0.0 -0.964 30.3 -93.2-127.8 144.1 42.4 21.6 24.0 114 114 A P E -J 122 0C 105 0, 0.0 2,-0.6 0, 0.0 8,-0.3 -0.199 30.2-136.3 -54.9 140.5 44.8 23.6 21.7 115 115 A L > - 0 0 9 6,-2.9 3,-1.0 424,-0.0 6,-0.4 -0.918 24.0-124.6-104.8 119.5 45.8 22.1 18.3 116 116 A A T 3 S+ 0 0 15 -2,-0.6 254,-0.2 1,-0.2 3,-0.1 -0.409 89.4 20.0 -67.1 133.9 49.5 22.5 17.5 117 117 A G T 3 S+ 0 0 11 1,-0.3 2,-0.2 252,-0.2 -1,-0.2 0.732 103.6 105.4 82.2 21.2 50.5 24.2 14.3 118 118 A T S < S- 0 0 18 -3,-1.0 2,-1.5 3,-0.1 -1,-0.3 -0.744 86.3 -95.7-123.8 175.4 47.2 25.9 13.9 119 119 A N S S- 0 0 96 -2,-0.2 37,-0.1 1,-0.2 -3,-0.1 -0.622 91.9 -56.8 -94.1 72.6 45.9 29.5 14.3 120 120 A G S S+ 0 0 72 -2,-1.5 -1,-0.2 -5,-0.2 2,-0.1 0.749 95.0 152.6 61.9 28.0 44.6 28.9 17.9 121 121 A E - 0 0 19 -6,-0.4 -6,-2.9 30,-0.0 2,-0.3 -0.408 23.4-161.4 -84.8 167.0 42.3 26.1 16.9 122 122 A T E -J 114 0C 29 28,-0.5 2,-0.3 -8,-0.3 44,-0.1 -0.862 16.7-154.6-143.1 172.2 41.2 23.2 19.2 123 123 A T E -J 113 0C 3 -10,-2.2 -10,-2.5 -2,-0.3 2,-0.5 -0.768 33.9-102.7-134.8-179.9 39.8 19.7 19.5 124 124 A T E -J 112 0C 3 -2,-0.3 -12,-0.2 -12,-0.3 2,-0.2 -0.949 24.2-159.1-124.3 128.9 37.8 18.2 22.4 125 125 A Q + 0 0 39 -14,-2.2 -15,-3.5 -2,-0.5 -14,-0.2 -0.522 48.5 103.8 -94.3 162.8 39.0 15.7 25.0 126 126 A G + 0 0 0 -17,-0.3 -1,-0.1 -16,-0.2 -15,-0.0 0.400 46.0 109.1 141.6 6.7 36.8 13.5 27.2 127 127 A L > + 0 0 35 -3,-0.1 3,-2.9 2,-0.1 4,-0.4 0.893 46.4 101.5 -74.9 -44.7 37.2 10.0 25.6 128 128 A D T 3 S- 0 0 23 1,-0.3 -3,-0.0 2,-0.1 361,-0.0 -0.200 105.7 -7.2 -48.8 117.0 39.3 8.3 28.4 129 129 A G T 3> S+ 0 0 24 1,-0.1 4,-2.4 3,-0.1 -1,-0.3 0.603 93.3 134.0 69.1 13.9 37.0 6.1 30.4 130 130 A L H <> + 0 0 0 -3,-2.9 4,-2.5 1,-0.2 5,-0.1 0.811 66.1 56.3 -63.9 -34.0 33.9 7.4 28.6 131 131 A S H > S+ 0 0 47 -4,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.911 110.8 44.4 -66.5 -38.1 32.4 4.0 28.0 132 132 A E H > S+ 0 0 129 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.927 113.5 49.8 -70.9 -44.3 32.5 3.3 31.8 133 133 A R H X S+ 0 0 73 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.903 111.7 50.1 -60.1 -40.3 31.1 6.8 32.6 134 134 A C H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.855 106.3 53.8 -68.0 -36.1 28.4 6.2 30.0 135 135 A A H X S+ 0 0 30 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.959 115.2 41.3 -62.8 -46.1 27.4 2.8 31.5 136 136 A Q H X S+ 0 0 103 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.875 112.5 53.6 -67.3 -43.7 27.0 4.4 34.9 137 137 A Y H <>S+ 0 0 9 -4,-2.7 5,-2.4 2,-0.2 -1,-0.2 0.925 108.9 50.2 -58.6 -42.8 25.3 7.5 33.6 138 138 A K H ><5S+ 0 0 44 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.932 108.8 51.8 -60.9 -45.8 22.8 5.3 31.8 139 139 A K H 3<5S+ 0 0 164 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.853 106.7 56.1 -60.5 -33.0 22.2 3.5 35.1 140 140 A D T 3<5S- 0 0 51 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.168 131.1 -83.8 -87.6 17.8 21.6 6.8 36.8 141 141 A G T < 5S+ 0 0 10 -3,-1.7 -37,-0.5 1,-0.3 2,-0.4 0.433 83.6 134.0 101.5 -4.5 18.8 8.0 34.5 142 142 A A < + 0 0 0 -5,-2.4 -1,-0.3 -6,-0.2 -37,-0.2 -0.662 19.5 168.2 -84.7 136.1 20.6 9.5 31.6 143 143 A D + 0 0 37 -39,-3.1 40,-2.7 -2,-0.4 2,-0.3 0.599 65.1 32.0-117.4 -20.9 19.4 8.6 28.1 144 144 A F E -de 105 183A 0 -40,-1.6 -38,-1.6 38,-0.3 -1,-0.3 -0.966 65.2-154.0-138.7 154.9 21.3 11.1 25.9 145 145 A A E -de 106 184A 0 38,-2.8 40,-2.0 -2,-0.3 2,-0.4 -0.790 6.5-141.4-124.9 168.8 24.7 12.9 26.0 146 146 A K E -de 107 185A 15 -40,-1.6 -38,-2.2 -2,-0.3 -37,-0.9 -0.999 13.2-179.1-136.9 128.8 26.3 16.1 24.7 147 147 A W E - e 0 186A 0 38,-1.1 40,-0.9 -2,-0.4 2,-0.4 -0.992 16.3-152.4-129.5 119.6 29.8 16.5 23.4 148 148 A R E + e 0 187A 91 -2,-0.4 2,-0.4 38,-0.1 -37,-0.1 -0.802 14.2 179.5 -99.5 135.6 30.8 20.0 22.3 149 149 A C E - e 0 188A 0 38,-1.7 40,-1.8 -2,-0.4 2,-0.5 -0.981 16.7-144.8-131.0 141.3 33.5 20.8 19.7 150 150 A V E + e 0 189A 21 -2,-0.4 -28,-0.5 38,-0.1 2,-0.4 -0.944 16.7 178.6-118.2 129.1 34.4 24.3 18.6 151 151 A L E - e 0 190A 8 38,-3.0 40,-2.5 -2,-0.5 2,-0.4 -0.948 14.1-152.2-122.9 141.8 35.4 25.5 15.1 152 152 A K - 0 0 105 -2,-0.4 2,-0.4 38,-0.2 38,-0.1 -0.967 10.7-134.2-124.6 132.4 36.2 29.1 14.3 153 153 A I + 0 0 6 38,-0.5 2,-0.3 -2,-0.4 43,-0.1 -0.644 44.6 141.4 -81.0 130.1 35.8 31.0 11.0 154 154 A G B > -K 157 0D 23 3,-2.2 3,-0.7 -2,-0.4 40,-0.0 -0.909 68.6 -72.7-154.3 179.6 38.9 33.0 10.1 155 155 A E T 3 S+ 0 0 127 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 0.765 134.7 9.4 -51.3 -32.0 41.1 34.0 7.2 156 156 A H T 3 S+ 0 0 55 -37,-0.1 -1,-0.3 3,-0.0 -37,-0.1 0.140 108.3 137.2-137.9 22.8 42.4 30.5 7.1 157 157 A T B < +K 154 0D 12 -3,-0.7 -3,-2.2 936,-0.2 2,-0.1 -0.920 43.8 43.6-131.3 152.6 40.2 28.6 9.6 158 158 A P S S- 0 0 2 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.555 86.3-152.7 -67.8 144.9 38.7 26.0 10.1 159 159 A S > - 0 0 26 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.398 27.4-104.7 -84.9 169.2 41.8 24.2 8.8 160 160 A A H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.859 123.2 50.3 -61.4 -34.2 41.7 20.8 7.1 161 161 A L H > S+ 0 0 11 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.914 109.1 48.3 -71.1 -46.6 43.2 19.4 10.3 162 162 A A H > S+ 0 0 1 2,-0.2 4,-2.7 3,-0.2 5,-0.3 0.899 114.8 46.7 -61.2 -43.3 40.6 21.0 12.6 163 163 A I H X S+ 0 0 26 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.984 115.7 44.2 -62.0 -56.6 37.8 19.8 10.5 164 164 A M H X S+ 0 0 70 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.908 119.0 43.6 -53.3 -51.5 39.2 16.3 10.1 165 165 A E H X S+ 0 0 11 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.931 112.5 49.1 -63.5 -52.7 40.0 16.0 13.8 166 166 A N H X S+ 0 0 4 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.884 112.4 50.4 -57.8 -36.3 36.9 17.5 15.2 167 167 A A H X S+ 0 0 4 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.880 111.7 48.1 -68.1 -39.3 34.8 15.2 13.0 168 168 A N H X S+ 0 0 13 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.928 110.5 49.4 -68.2 -45.8 36.8 12.2 14.2 169 169 A V H X S+ 0 0 9 -4,-2.8 4,-2.6 2,-0.2 3,-0.2 0.931 110.8 51.5 -61.8 -40.9 36.6 13.0 17.9 170 170 A L H X S+ 0 0 1 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.948 109.6 49.5 -60.1 -48.6 32.8 13.5 17.5 171 171 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.790 110.6 50.0 -61.2 -33.5 32.4 10.1 15.8 172 172 A R H X S+ 0 0 10 -4,-1.8 4,-2.0 -3,-0.2 -1,-0.2 0.952 111.8 48.6 -70.0 -47.3 34.4 8.3 18.5 173 173 A Y H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.943 111.5 49.2 -54.8 -53.0 32.3 10.0 21.2 174 174 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.885 107.8 54.4 -54.7 -45.0 29.0 9.0 19.5 175 175 A S H X S+ 0 0 9 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.926 108.3 48.6 -56.1 -50.5 30.1 5.4 19.1 176 176 A I H X S+ 0 0 17 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.913 111.2 50.5 -58.5 -45.2 30.9 4.9 22.8 177 177 A C H ><>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 3,-1.6 0.945 109.4 50.2 -60.0 -48.2 27.5 6.5 23.7 178 178 A Q H ><5S+ 0 0 5 -4,-2.6 3,-0.9 1,-0.3 -1,-0.2 0.779 104.5 58.2 -63.7 -27.0 25.5 4.2 21.4 179 179 A Q H 3<5S+ 0 0 76 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.651 110.0 45.4 -76.0 -15.3 27.3 1.1 22.7 180 180 A N T <<5S- 0 0 36 -3,-1.6 -1,-0.2 -4,-0.6 -2,-0.2 0.085 123.1 -98.9-113.5 18.1 26.0 2.0 26.2 181 181 A G T < 5S+ 0 0 9 -3,-0.9 2,-0.4 1,-0.2 -3,-0.2 0.701 81.4 127.3 74.2 22.4 22.4 2.8 25.2 182 182 A I < - 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