==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE(ALDEHYDE) 08-JUN-92 1FBA . COMPND 2 MOLECULE: FRUCTOSE 1,6-BISPHOSPHATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR K.PIONTEK,G.HESTER,O.BRENNER-HOLZACH . 1440 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48829.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1013 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 161 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 1.7 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 . 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 . 87 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 156 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 510 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.7 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 0 0 5 0 1 7 7 3 1 4 4 0 0 4 0 4 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 9 0 12 4 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 . 4 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 T 0 0 37 0, 0.0 1241,-0.1 0, 0.0 519,-0.0 0.000 360.0 360.0 360.0 117.1 -1.3 1.0 31.0 2 2 A T + 0 0 10 1239,-0.3 2,-0.8 1,-0.1 1288,-0.1 0.674 360.0 73.7 -96.7 -21.0 -0.6 -1.9 28.6 3 3 A Y + 0 0 61 514,-0.1 2,-0.3 1283,-0.1 477,-0.3 -0.873 69.9 120.2 -95.6 109.8 -3.0 -4.6 29.9 4 4 A F - 0 0 16 -2,-0.8 2,-0.5 475,-0.1 475,-0.2 -0.947 58.7-101.8-158.8 173.0 -6.5 -3.5 28.9 5 5 A N - 0 0 88 473,-3.1 3,-0.1 -2,-0.3 -2,-0.0 -0.925 21.1-145.3-113.2 121.5 -9.6 -4.7 27.0 6 6 A Y - 0 0 52 -2,-0.5 472,-0.1 1,-0.1 3,-0.1 -0.506 42.1 -92.4 -67.1 153.3 -10.5 -3.5 23.5 7 7 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 172,-0.0 -0.191 55.3 -83.2 -61.5 158.6 -14.3 -3.3 23.1 8 8 A S > - 0 0 58 1,-0.1 4,-2.6 -3,-0.1 3,-0.4 -0.283 38.6-111.8 -62.8 155.4 -16.0 -6.3 21.6 9 9 A K H > S+ 0 0 134 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.907 119.3 53.0 -54.8 -45.4 -15.9 -6.7 17.8 10 10 A E H > S+ 0 0 133 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.816 110.6 46.4 -64.5 -32.9 -19.6 -6.1 17.7 11 11 A L H > S+ 0 0 21 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.860 111.9 51.4 -73.6 -40.4 -19.3 -2.9 19.7 12 12 A Q H X S+ 0 0 35 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.953 111.1 47.9 -56.6 -49.2 -16.4 -1.7 17.5 13 13 A D H X S+ 0 0 50 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.900 112.0 49.3 -62.0 -44.9 -18.4 -2.3 14.3 14 14 A E H X S+ 0 0 44 -4,-1.5 4,-2.2 -5,-0.2 -1,-0.2 0.944 113.7 44.3 -61.6 -46.1 -21.5 -0.6 15.6 15 15 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.925 115.1 47.8 -67.8 -43.7 -19.7 2.5 16.8 16 16 A R H X S+ 0 0 68 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.924 110.9 51.8 -63.4 -45.2 -17.5 2.8 13.6 17 17 A E H X S+ 0 0 107 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.909 110.3 48.2 -57.8 -47.1 -20.6 2.4 11.4 18 18 A I H X S+ 0 0 10 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.940 112.6 47.7 -57.5 -49.8 -22.5 5.1 13.1 19 19 A A H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.893 110.6 52.5 -61.6 -38.7 -19.6 7.6 13.0 20 20 A Q H < S+ 0 0 107 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.879 107.8 52.0 -62.6 -40.3 -19.0 6.8 9.3 21 21 A K H >< S+ 0 0 115 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.884 105.1 55.5 -64.7 -42.7 -22.7 7.5 8.5 22 22 A I H 3< S+ 0 0 0 -4,-1.9 52,-0.3 1,-0.3 -1,-0.2 0.817 113.6 39.5 -60.6 -37.8 -22.5 10.9 10.3 23 23 A V T 3< S+ 0 0 15 -4,-1.4 -1,-0.3 -3,-0.1 -2,-0.2 -0.010 81.5 151.0-105.8 28.9 -19.6 12.2 8.1 24 24 A A X - 0 0 25 -3,-1.2 3,-2.4 1,-0.2 50,-0.1 -0.215 64.8 -71.8 -55.9 147.2 -20.8 10.7 4.8 25 25 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.2 0, 0.0 313,-0.1 -0.142 120.5 8.4 -48.7 128.2 -19.6 12.7 1.8 26 26 A G T 3 S+ 0 0 6 1,-0.2 2,-0.3 311,-0.2 312,-0.1 0.513 108.1 107.2 75.9 11.3 -21.5 16.0 1.5 27 27 A K < + 0 0 63 -3,-2.4 2,-0.3 310,-0.1 -1,-0.2 -0.859 35.4 162.0-120.8 156.9 -23.3 15.7 4.9 28 28 A G E -a 73 0A 0 44,-1.9 46,-2.0 -2,-0.3 47,-0.9 -0.855 37.1 -80.0-154.1-175.9 -22.9 17.4 8.3 29 29 A I E -ab 75 299A 0 269,-3.0 271,-1.9 -2,-0.3 2,-0.6 -0.764 18.7-146.0-106.4 140.2 -24.8 17.9 11.5 30 30 A L E -ab 76 300A 1 45,-2.2 47,-2.2 -2,-0.4 2,-0.8 -0.934 19.1-150.7 -95.7 119.1 -27.6 20.4 12.5 31 31 A A E +a 77 0A 4 269,-2.7 273,-0.1 -2,-0.6 47,-0.1 -0.886 32.9 155.7 -96.0 105.3 -27.1 21.3 16.1 32 32 A A E +a 78 0A 0 45,-1.9 47,-0.6 -2,-0.8 -1,-0.1 -0.198 31.9 119.3-119.0 34.8 -30.6 22.1 17.5 33 33 A D + 0 0 11 45,-0.3 2,-0.2 49,-0.0 47,-0.1 0.013 31.2 145.4 -97.2 24.4 -29.7 21.3 21.1 34 34 A E - 0 0 22 45,-0.1 45,-0.2 -3,-0.1 2,-0.1 -0.437 44.2-132.1 -64.7 131.5 -30.4 24.8 22.6 35 35 A S > - 0 0 31 -2,-0.2 4,-3.1 1,-0.1 5,-0.4 -0.301 33.8 -87.6 -75.6 170.5 -31.8 24.6 26.1 36 36 A G H > S+ 0 0 11 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.850 126.4 46.0 -44.4 -53.8 -34.9 26.6 27.2 37 37 A P H > S+ 0 0 96 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.896 115.9 43.6 -61.4 -47.6 -33.0 29.7 28.2 38 38 A T H >> S+ 0 0 50 2,-0.2 4,-1.6 1,-0.2 3,-0.8 0.943 114.6 48.4 -64.4 -52.5 -30.8 29.9 25.1 39 39 A M H 3X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.3 -1,-0.2 0.859 107.4 61.6 -53.6 -35.3 -33.7 29.1 22.7 40 40 A G H 3X S+ 0 0 8 -4,-1.8 4,-2.1 -5,-0.4 -1,-0.3 0.821 101.6 48.5 -61.9 -38.7 -35.5 31.8 24.7 41 41 A K H <>S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 3,-1.7 0.935 108.2 55.9 -67.9 -49.4 -37.0 33.6 20.0 44 44 A Q H ><5S+ 0 0 122 -4,-2.1 3,-1.8 1,-0.3 -2,-0.2 0.815 99.1 63.4 -51.3 -37.7 -37.1 37.0 21.9 45 45 A D H 3<5S+ 0 0 106 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.791 107.1 41.3 -59.1 -35.3 -34.9 38.4 19.1 46 46 A I T <<5S- 0 0 41 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 -0.003 127.0-100.2-102.9 24.9 -37.7 37.8 16.5 47 47 A G T < 5S+ 0 0 70 -3,-1.8 2,-0.4 1,-0.2 -3,-0.3 0.874 78.3 140.6 57.1 43.4 -40.3 39.0 19.0 48 48 A V < - 0 0 18 -5,-2.1 2,-0.3 -8,-0.1 -1,-0.2 -0.943 51.9-120.1-116.5 139.9 -41.3 35.5 20.0 49 49 A E - 0 0 145 -2,-0.4 2,-2.0 -6,-0.1 5,-0.2 -0.572 24.0-117.7 -80.8 135.2 -42.2 34.5 23.6 50 50 A N + 0 0 68 -2,-0.3 2,-0.3 -10,-0.1 -10,-0.1 -0.518 58.9 143.8 -78.6 79.0 -40.2 31.7 25.2 51 51 A T > - 0 0 45 -2,-2.0 4,-2.1 1,-0.1 3,-0.3 -0.847 61.5-119.2-112.6 153.9 -42.9 29.2 25.8 52 52 A E H > S+ 0 0 115 -2,-0.3 4,-2.2 1,-0.3 5,-0.1 0.846 117.5 53.1 -58.7 -35.3 -42.4 25.4 25.6 53 53 A D H > S+ 0 0 96 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.823 106.3 50.7 -70.5 -34.8 -45.0 25.4 22.8 54 54 A N H > S+ 0 0 48 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.839 111.5 49.0 -70.6 -35.0 -43.2 28.1 20.9 55 55 A R H X S+ 0 0 28 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.894 112.0 48.6 -67.3 -41.4 -40.0 26.1 21.2 56 56 A R H X S+ 0 0 32 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.917 110.3 52.1 -63.6 -43.3 -41.9 23.0 20.0 57 57 A A H X S+ 0 0 20 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.909 110.9 46.1 -59.7 -49.2 -43.3 25.0 17.1 58 58 A Y H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.902 114.0 48.2 -61.8 -42.5 -39.9 26.2 16.0 59 59 A R H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.804 107.5 56.8 -69.2 -27.2 -38.5 22.6 16.3 60 60 A Q H X S+ 0 0 27 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.925 104.2 53.8 -68.0 -41.5 -41.5 21.4 14.3 61 61 A L H >< S+ 0 0 4 -4,-1.9 3,-0.5 1,-0.2 4,-0.4 0.931 110.7 44.8 -54.7 -53.3 -40.5 23.8 11.5 62 62 A L H >< S+ 0 0 1 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.852 116.1 45.7 -60.2 -41.9 -37.0 22.4 11.3 63 63 A F H 3< S+ 0 0 3 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.597 105.9 57.2 -84.8 -14.5 -37.9 18.7 11.4 64 64 A S T << S+ 0 0 59 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.398 79.3 130.4 -97.9 1.6 -40.8 18.8 8.9 65 65 A T S < S- 0 0 1 -3,-0.6 -3,-0.0 -4,-0.4 255,-0.0 -0.090 76.5 -72.8 -52.2 150.3 -38.6 20.2 6.2 66 66 A D > - 0 0 89 1,-0.2 3,-3.2 2,-0.1 4,-0.2 -0.210 45.6-117.4 -47.6 130.2 -38.6 18.5 2.8 67 67 A P G > S+ 0 0 81 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.567 106.6 87.6 -50.9 -11.3 -36.8 15.1 3.1 68 68 A K G > S+ 0 0 64 1,-0.3 3,-2.3 2,-0.2 4,-0.4 0.796 72.2 74.7 -57.9 -29.2 -34.3 16.6 0.6 69 69 A L G X> S+ 0 0 6 -3,-3.2 3,-2.2 1,-0.3 4,-2.0 0.859 81.0 68.9 -49.3 -41.2 -32.6 17.9 3.8 70 70 A A G <4 S+ 0 0 19 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.584 84.0 70.8 -56.9 -19.6 -31.3 14.4 4.4 71 71 A E G <4 S+ 0 0 121 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.795 117.8 19.2 -67.8 -30.5 -29.0 14.7 1.4 72 72 A N T <4 S+ 0 0 6 -3,-2.2 -44,-1.9 -4,-0.4 2,-0.6 0.542 118.1 68.2-114.9 -16.9 -26.9 17.2 3.4 73 73 A I E < +a 28 0A 1 -4,-2.0 -44,-0.2 -46,-0.2 -1,-0.2 -0.942 46.9 171.0-112.3 114.0 -27.9 16.6 7.0 74 74 A S E + 0 0 5 -46,-2.0 29,-2.9 -2,-0.6 2,-0.3 0.752 67.5 6.7 -89.1 -28.1 -26.8 13.2 8.4 75 75 A G E -ac 29 103A 0 -47,-0.9 -45,-2.2 27,-0.2 2,-0.4 -0.987 56.7-142.8-157.3 157.2 -27.8 13.9 12.1 76 76 A V E -ac 30 104A 1 27,-2.4 29,-2.7 -2,-0.3 2,-0.6 -0.997 16.3-139.5-127.9 131.3 -29.5 16.3 14.4 77 77 A I E -ac 31 105A 0 -47,-2.2 -45,-1.9 -2,-0.4 2,-0.3 -0.865 27.9-161.3 -90.1 122.8 -28.3 17.1 18.0 78 78 A L E -ac 32 106A 0 27,-2.5 29,-2.0 -2,-0.6 2,-0.4 -0.738 17.5-129.7-104.5 151.4 -31.3 17.3 20.3 79 79 A F >> - 0 0 49 -47,-0.6 4,-1.2 -2,-0.3 3,-1.0 -0.771 40.3-104.5 -92.1 139.0 -31.9 18.9 23.7 80 80 A H H >> S+ 0 0 89 -2,-0.4 3,-0.5 27,-0.3 4,-0.5 0.763 117.0 51.3 -31.7 -55.0 -33.6 16.5 26.2 81 81 A E H >4 S+ 0 0 42 1,-0.2 3,-1.7 2,-0.2 -1,-0.3 0.917 107.5 53.4 -58.3 -44.4 -37.1 18.1 26.1 82 82 A T H X4 S+ 0 0 0 -3,-1.0 3,-1.7 1,-0.3 -1,-0.2 0.793 94.7 68.6 -62.5 -33.7 -37.2 18.0 22.3 83 83 A L H << S+ 0 0 8 -4,-1.2 11,-0.3 -3,-0.5 -1,-0.3 0.720 107.3 40.1 -58.8 -22.5 -36.5 14.2 22.1 84 84 A Y T << S+ 0 0 98 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.277 95.2 108.8-111.4 7.6 -39.9 13.6 23.7 85 85 A Q < - 0 0 14 -3,-1.7 8,-2.0 -4,-0.2 9,-0.4 -0.335 52.5-147.7 -86.4 166.8 -41.9 16.2 21.8 86 86 A K B -I 92 0B 111 6,-0.3 5,-0.1 7,-0.1 -26,-0.1 -0.924 16.1-107.7-134.9 154.2 -44.5 15.6 19.1 87 87 A A > - 0 0 10 4,-4.0 3,-2.8 -2,-0.3 -30,-0.1 -0.333 44.9 -95.4 -76.7 164.2 -45.7 17.3 16.0 88 88 A D T 3 S+ 0 0 97 1,-0.3 -1,-0.1 2,-0.2 -31,-0.0 0.797 128.4 53.0 -46.3 -41.2 -49.2 19.0 15.8 89 89 A D T 3 S- 0 0 126 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.437 126.2-103.0 -79.1 -3.4 -50.6 15.8 14.3 90 90 A G S < S+ 0 0 42 -3,-2.8 -2,-0.2 1,-0.3 -1,-0.0 0.407 73.8 142.4 95.0 2.1 -49.2 13.8 17.2 91 91 A T - 0 0 38 -5,-0.1 -4,-4.0 1,-0.1 -1,-0.3 -0.635 55.9-114.6 -79.4 129.9 -46.2 12.3 15.4 92 92 A P B >> -I 86 0B 43 0, 0.0 4,-2.1 0, 0.0 3,-0.8 -0.416 15.0-131.2 -61.8 132.2 -43.1 12.1 17.6 93 93 A F H 3> S+ 0 0 1 -8,-2.0 4,-2.4 1,-0.3 5,-0.2 0.835 107.9 59.1 -49.5 -40.4 -40.2 14.3 16.4 94 94 A A H 3> S+ 0 0 16 -9,-0.4 4,-2.2 -11,-0.3 -1,-0.3 0.830 106.8 46.8 -62.5 -37.6 -37.9 11.3 16.8 95 95 A E H <> S+ 0 0 96 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.910 109.1 53.6 -69.7 -46.2 -40.0 9.3 14.3 96 96 A I H X S+ 0 0 31 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.935 114.7 41.5 -54.8 -51.7 -40.2 12.2 11.8 97 97 A L H <>S+ 0 0 1 -4,-2.4 5,-2.0 1,-0.2 3,-0.4 0.932 115.6 47.8 -63.0 -50.1 -36.4 12.5 11.7 98 98 A K H ><5S+ 0 0 101 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.816 106.7 58.2 -65.4 -31.6 -35.6 8.8 11.7 99 99 A K H 3<5S+ 0 0 167 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.872 104.0 53.4 -62.0 -38.2 -38.2 8.2 8.9 100 100 A K T 3<5S- 0 0 45 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.393 123.8-107.7 -77.3 -1.3 -36.2 10.7 6.9 101 101 A G T < 5S+ 0 0 59 -3,-1.3 2,-0.4 1,-0.3 -3,-0.2 0.646 72.1 143.3 81.6 19.4 -33.0 8.7 7.5 102 102 A I < - 0 0 5 -5,-2.0 -1,-0.3 -6,-0.1 2,-0.3 -0.757 47.8-128.5 -94.1 135.8 -31.5 11.2 9.9 103 103 A I E -c 75 0A 22 -29,-2.9 -27,-2.4 -2,-0.4 2,-0.4 -0.626 21.2-130.2 -85.1 141.3 -29.5 10.0 12.9 104 104 A L E -cd 76 142A 0 37,-0.6 39,-2.9 -2,-0.3 40,-1.0 -0.779 24.0-176.4 -99.2 137.1 -30.4 11.4 16.3 105 105 A G E -cd 77 144A 0 -29,-2.7 -27,-2.5 -2,-0.4 2,-0.4 -0.835 9.5-150.5-124.3 160.2 -27.9 12.8 18.8 106 106 A I E -cd 78 145A 1 38,-1.4 40,-1.9 -2,-0.3 2,-0.5 -1.000 16.7-126.6-141.0 133.2 -28.4 14.1 22.4 107 107 A K E + d 0 146A 42 -29,-2.0 -27,-0.3 -2,-0.4 40,-0.2 -0.658 31.5 172.7 -76.1 122.0 -26.6 16.7 24.5 108 108 A V + 0 0 0 38,-2.7 39,-0.2 -2,-0.5 -1,-0.1 0.525 37.8 102.0-115.0 -6.7 -25.5 15.0 27.7 109 109 A D - 0 0 23 37,-0.7 17,-0.3 1,-0.1 3,-0.1 -0.355 61.0-142.6 -76.9 163.1 -23.3 17.5 29.6 110 110 A K - 0 0 76 15,-3.3 16,-0.2 1,-0.4 380,-0.1 -0.047 52.1 -97.9-115.9 32.4 -24.7 19.5 32.5 111 111 A G - 0 0 30 14,-0.3 14,-2.7 37,-0.1 -1,-0.4 -0.094 53.0 -47.4 83.2-178.6 -22.8 22.8 31.7 112 112 A V E -J 124 0C 33 12,-0.2 12,-0.3 246,-0.2 37,-0.0 -0.551 41.5-167.2 -94.1 153.2 -19.6 24.4 33.0 113 113 A V E -J 123 0C 31 10,-3.0 10,-2.2 -2,-0.2 2,-0.1 -0.987 29.9-100.5-137.5 146.5 -18.4 24.9 36.6 114 114 A P E -J 122 0C 68 0, 0.0 2,-0.8 0, 0.0 8,-0.3 -0.300 23.3-128.4 -71.8 141.9 -15.5 27.1 37.8 115 115 A L > - 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0 0 98 -3,-2.0 3,-1.6 1,-0.1 -1,-0.2 -0.803 58.3-144.9-109.2 137.4 -34.0 -4.0 72.0 677 317 B K G > S+ 0 0 161 -2,-0.4 3,-1.5 1,-0.3 4,-0.3 0.824 102.6 60.4 -62.0 -33.1 -34.7 -0.8 74.0 678 318 B E G 3 S+ 0 0 146 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.585 102.5 53.9 -72.8 -10.2 -33.6 -2.5 77.2 679 319 B N G <> S+ 0 0 43 -3,-1.6 4,-2.2 -6,-0.2 -1,-0.3 0.200 76.4 101.1-106.7 12.1 -30.2 -3.0 75.7 680 320 B I H <> S+ 0 0 49 -3,-1.5 4,-2.5 1,-0.2 5,-0.2 0.921 83.8 47.1 -63.1 -46.8 -29.6 0.7 74.7 681 321 B A H > S+ 0 0 64 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.841 110.8 53.5 -62.9 -36.8 -27.3 1.3 77.7 682 322 B A H > S+ 0 0 43 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.894 110.3 46.4 -64.8 -45.5 -25.4 -1.8 77.0 683 323 B G H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 3,-0.2 0.913 111.7 50.8 -62.1 -46.0 -24.8 -0.8 73.3 684 324 B Q H X S+ 0 0 32 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.818 107.1 56.0 -62.9 -33.5 -23.8 2.8 74.4 685 325 B N H X S+ 0 0 91 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.873 105.0 50.5 -65.4 -43.3 -21.4 1.2 76.9 686 326 B E H X S+ 0 0 52 -4,-1.5 4,-2.2 -3,-0.2 -2,-0.2 0.904 111.4 49.6 -61.6 -44.4 -19.6 -0.8 74.1 687 327 B L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.924 110.1 49.3 -58.5 -51.8 -19.3 2.4 72.1 688 328 B L H X S+ 0 0 26 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.884 111.0 51.0 -56.0 -43.8 -17.8 4.3 75.1 689 329 B K H X S+ 0 0 79 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.909 113.9 42.4 -61.3 -48.7 -15.3 1.5 75.7 690 330 B R H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.790 111.6 54.6 -72.8 -31.8 -14.0 1.4 72.1 691 331 B A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.894 111.2 45.9 -65.4 -41.9 -13.9 5.1 71.7 692 332 B K H X S+ 0 0 72 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.909 111.7 51.5 -66.5 -43.0 -11.7 5.4 74.8 693 333 B A H X S+ 0 0 3 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.904 113.2 44.8 -58.0 -46.6 -9.5 2.5 73.6 694 334 B N H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.818 109.4 56.1 -69.4 -32.9 -9.1 4.2 70.2 695 335 B G H < S+ 0 0 0 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.864 109.7 46.1 -64.7 -40.2 -8.5 7.6 71.9 696 336 B D H ><>S+ 0 0 39 -4,-2.1 5,-2.5 2,-0.2 3,-1.7 0.896 110.4 53.3 -67.0 -45.1 -5.6 5.9 73.8 697 337 B A H ><5S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.3 -50,-0.3 0.880 102.1 59.1 -57.9 -37.7 -4.4 4.3 70.6 698 338 B A T 3<5S+ 0 0 15 -4,-2.2 -41,-0.3 1,-0.3 -1,-0.3 0.588 110.7 42.1 -66.0 -16.0 -4.3 7.8 69.0 699 339 B Q T < 5S- 0 0 82 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.249 117.9-115.9-112.5 5.6 -1.9 8.8 71.8 700 340 B G T < 5S+ 0 0 12 -3,-1.8 -3,-0.2 -4,-0.1 -2,-0.1 0.746 86.7 110.8 64.6 35.2 0.0 5.5 71.4 701 341 B K < + 0 0 132 -5,-2.5 2,-0.4 -8,-0.1 -4,-0.2 0.150 34.2 132.0-122.1 14.7 -0.9 4.4 74.9 702 342 B Y - 0 0 19 -6,-0.3 2,-0.6 -62,-0.2 -9,-0.0 -0.588 46.6-146.4 -79.8 128.5 -3.3 1.5 74.3 703 343 B V > - 0 0 102 -2,-0.4 3,-2.0 1,-0.1 4,-0.3 -0.838 31.8-108.2 -90.4 119.7 -2.6 -1.7 76.3 704 345 B A T 3 S+ 0 0 71 -2,-0.6 -1,-0.1 1,-0.3 -67,-0.0 -0.168 98.0 7.9 -51.9 135.5 -3.6 -4.8 74.2 705 346 B G T > S+ 0 0 46 3,-0.2 3,-1.0 -68,-0.1 -1,-0.3 0.377 92.1 117.1 75.8 1.7 -6.7 -6.6 75.4 706 347 B S T < S+ 0 0 79 -3,-2.0 -2,-0.1 1,-0.3 3,-0.1 0.718 75.9 47.6 -74.1 -23.1 -7.6 -3.9 77.9 707 348 B A T 3 S- 0 0 12 1,-0.4 -1,-0.3 -4,-0.3 3,-0.2 0.343 123.4 -98.3 -97.5 4.0 -10.9 -3.0 76.2 708 349 B G < - 0 0 30 -3,-1.0 -1,-0.4 1,-0.2 -3,-0.2 -0.302 46.3 -60.6 101.4 173.4 -11.9 -6.6 75.9 709 351 B A - 0 0 92 1,-0.2 -72,-0.4 -2,-0.1 -1,-0.2 0.762 69.5-172.0 -61.3 -34.6 -11.8 -9.2 73.1 710 352 B G - 0 0 35 -3,-0.2 -1,-0.2 -74,-0.1 -75,-0.0 -0.270 35.4 -32.7 69.1-156.3 -14.0 -7.2 70.8 711 353 B S - 0 0 25 1,-0.2 -74,-0.3 -47,-0.1 2,-0.1 -0.102 57.3-111.7 -83.9-178.6 -15.3 -8.6 67.5 712 354 B G S S- 0 0 50 1,-0.3 -76,-0.4 -77,-0.1 -1,-0.2 -0.260 71.1 -34.7 -96.9-167.6 -13.9 -11.1 65.0 713 355 B S - 0 0 74 -78,-0.2 -1,-0.3 -2,-0.1 -79,-0.2 -0.239 47.1-160.4 -52.5 136.5 -12.8 -10.1 61.5 714 356 B L + 0 0 9 -81,-1.6 2,-0.4 -83,-0.1 -80,-0.2 -0.028 40.7 145.5-107.5 24.8 -15.0 -7.4 60.0 715 357 B F + 0 0 63 -82,-0.6 2,-0.4 -117,-0.1 -82,-0.1 -0.538 22.3 174.1 -75.9 122.5 -13.9 -8.3 56.5 716 358 B V - 0 0 49 -2,-0.4 -162,-0.1 -162,-0.0 3,-0.1 -0.973 17.5-158.0-126.2 110.6 -16.5 -7.9 53.7 717 359 B A + 0 0 41 -2,-0.4 -165,-0.0 1,-0.1 0, 0.0 -0.226 57.8 64.9 -80.9 172.5 -15.0 -8.6 50.3 718 360 B N + 0 0 146 1,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.909 60.5 159.8 82.3 48.5 -16.2 -7.4 46.9 719 361 B H + 0 0 65 1,-0.2 -1,-0.2 -3,-0.1 -167,-0.0 -0.487 50.2 22.5 -92.3 169.2 -15.9 -3.6 47.0 720 362 B A 0 0 8 -2,-0.2 -1,-0.2 -238,-0.0 -2,-0.1 0.895 360.0 360.0 32.5 99.5 -15.7 -1.3 44.0 721 363 B Y 0 0 165 -3,-0.1 -238,-0.1 -248,-0.1 -247,-0.0 0.224 360.0 360.0 96.8 360.0 -17.3 -3.1 41.0 722 !* 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 0.0 723 1 C T 0 0 35 0, 0.0 -203,-0.1 0, 0.0 219,-0.1 0.000 360.0 360.0 360.0 120.3 4.5 1.8 38.5 724 2 C T + 0 0 12 -205,-0.2 2,-0.8 1,-0.1 -157,-0.1 0.646 360.0 74.8 -99.1 -22.4 3.8 -0.4 41.5 725 3 C Y + 0 0 57 514,-0.1 477,-0.3 -161,-0.1 2,-0.3 -0.867 68.9 114.7 -98.2 108.6 6.1 -3.3 40.6 726 4 C F - 0 0 15 -2,-0.8 2,-0.5 475,-0.1 475,-0.2 -0.950 60.9-100.7-164.8 167.8 9.7 -2.2 41.4 727 5 C N - 0 0 89 473,-3.3 3,-0.1 -2,-0.3 -2,-0.0 -0.856 22.2-142.9-106.8 126.5 12.6 -3.0 43.7 728 6 C Y - 0 0 57 -2,-0.5 3,-0.1 1,-0.1 472,-0.1 -0.550 41.6 -92.0 -72.6 157.9 13.6 -1.0 46.7 729 7 C P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 172,-0.0 -0.225 54.8 -83.3 -64.2 159.3 17.4 -0.7 47.2 730 8 C S > - 0 0 60 1,-0.1 4,-2.7 -3,-0.1 3,-0.2 -0.245 37.0-112.3 -63.2 154.0 19.1 -3.3 49.4 731 9 C K H > S+ 0 0 140 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.904 119.3 54.6 -52.1 -42.6 19.0 -2.8 53.2 732 10 C E H > S+ 0 0 142 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.884 109.4 44.5 -60.6 -42.9 22.7 -2.2 53.0 733 11 C L H > S+ 0 0 22 -3,-0.2 4,-2.9 2,-0.2 5,-0.3 0.928 112.5 52.5 -69.6 -43.4 22.5 0.5 50.4 734 12 C Q H X S+ 0 0 36 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.920 110.1 47.7 -55.6 -49.6 19.6 2.2 52.2 735 13 C D H X S+ 0 0 51 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.913 112.2 49.7 -61.4 -45.4 21.5 2.3 55.5 736 14 C E H X S+ 0 0 54 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.930 114.1 43.2 -61.3 -52.1 24.7 3.7 53.9 737 15 C L H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.891 115.2 49.3 -59.6 -44.5 22.9 6.5 52.0 738 16 C R H X S+ 0 0 67 -4,-2.7 4,-2.7 -5,-0.3 5,-0.2 0.939 110.6 51.7 -61.2 -45.2 20.7 7.4 55.0 739 17 C E H X S+ 0 0 102 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.880 110.1 47.9 -58.9 -43.1 23.8 7.5 57.3 740 18 C I H X S+ 0 0 13 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.922 113.1 47.0 -63.4 -47.9 25.7 9.8 54.9 741 19 C A H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.899 111.6 51.4 -60.7 -43.7 22.8 12.3 54.5 742 20 C Q H < S+ 0 0 105 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.904 108.8 52.3 -58.5 -44.9 22.2 12.3 58.3 743 21 C K H >< S+ 0 0 114 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.876 105.8 54.0 -60.0 -42.5 25.9 13.1 58.9 744 22 C I H 3< S+ 0 0 0 -4,-2.0 52,-0.3 1,-0.3 -1,-0.2 0.847 112.4 42.9 -63.7 -35.9 25.8 16.0 56.5 745 23 C V T 3< S+ 0 0 15 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.052 80.2 150.0-103.4 24.4 22.9 17.7 58.3 746 24 C A X - 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0 0 114 -3,-2.1 3,-2.1 1,-0.1 -1,-0.2 -0.828 58.0-147.3-109.6 129.9 36.8 -12.4 -1.2 1399 317 D K G > S+ 0 0 107 -2,-0.5 3,-1.1 1,-0.3 4,-0.2 0.755 101.9 63.5 -57.8 -24.9 37.7 -9.7 -3.7 1400 318 D E G 3 S+ 0 0 144 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.696 99.1 54.7 -74.0 -19.8 36.6 -12.1 -6.4 1401 319 D N G <> S+ 0 0 46 -3,-2.1 4,-2.8 -6,-0.3 -1,-0.3 0.143 71.9 107.8-100.6 13.7 33.1 -12.1 -5.1 1402 320 D I H <> S+ 0 0 51 -3,-1.1 4,-2.8 2,-0.2 5,-0.2 0.881 81.5 48.3 -57.1 -45.9 32.6 -8.3 -5.2 1403 321 D A H > S+ 0 0 63 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.935 113.2 47.3 -61.5 -46.4 30.2 -8.6 -8.1 1404 322 D A H > S+ 0 0 46 -4,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.901 113.8 48.5 -61.3 -46.4 28.2 -11.4 -6.5 1405 323 D G H X S+ 0 0 0 -4,-2.8 4,-1.5 -11,-0.2 3,-0.3 0.933 112.4 46.0 -58.2 -54.5 28.0 -9.4 -3.2 1406 324 D Q H X S+ 0 0 32 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.825 109.1 58.1 -61.6 -33.1 26.9 -6.1 -4.8 1407 325 D N H X S+ 0 0 91 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.858 102.8 52.2 -65.6 -41.7 24.3 -8.0 -6.9 1408 326 D E H X S+ 0 0 46 -4,-1.7 4,-1.9 -3,-0.3 -1,-0.2 0.862 110.0 49.8 -60.6 -39.0 22.7 -9.4 -3.7 1409 327 D L H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.926 111.2 47.9 -65.1 -47.3 22.4 -5.8 -2.4 1410 328 D L H X S+ 0 0 21 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.909 111.2 51.9 -58.8 -44.8 20.9 -4.5 -5.6 1411 329 D K H X S+ 0 0 89 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.869 114.3 41.1 -59.2 -46.6 18.4 -7.4 -5.6 1412 330 D R H X S+ 0 0 3 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.804 111.4 54.7 -76.8 -32.4 17.2 -6.8 -2.0 1413 331 D A H X S+ 0 0 1 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.886 111.4 46.7 -63.8 -43.7 17.1 -3.0 -2.3 1414 332 D K H X S+ 0 0 66 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.923 110.3 52.0 -61.0 -49.2 14.8 -3.4 -5.3 1415 333 D A H X S+ 0 0 3 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.805 113.1 45.6 -58.9 -35.5 12.6 -6.0 -3.6 1416 334 D N H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.760 109.3 53.7 -80.5 -29.8 12.2 -3.6 -0.6 1417 335 D G H < S+ 0 0 0 -4,-1.8 -308,-0.2 2,-0.2 -2,-0.2 0.852 111.3 47.6 -69.5 -37.7 11.5 -0.5 -2.9 1418 336 D D H ><>S+ 0 0 39 -4,-2.3 5,-2.9 1,-0.2 3,-1.3 0.879 111.1 51.0 -67.0 -46.1 8.8 -2.6 -4.5 1419 337 D A H ><5S+ 0 0 0 -4,-1.5 3,-1.7 1,-0.3 -50,-0.3 0.835 101.9 59.9 -58.1 -39.5 7.5 -3.6 -1.0 1420 338 D A T 3<5S+ 0 0 14 -4,-1.8 -41,-0.4 1,-0.3 -1,-0.3 0.523 109.7 45.3 -68.9 -7.1 7.4 0.1 0.1 1421 339 D Q T < 5S- 0 0 75 -3,-1.3 -1,-0.3 -312,-0.1 -2,-0.2 0.309 117.6-113.4-114.8 -0.5 5.0 0.5 -2.8 1422 340 D G T < 5S+ 0 0 12 -3,-1.7 -3,-0.2 -4,-0.1 -2,-0.1 0.679 89.5 110.9 74.4 20.5 2.9 -2.6 -2.0 1423 341 D K < + 0 0 124 -5,-2.9 2,-0.3 -6,-0.1 -4,-0.3 0.194 34.7 128.0-110.4 13.9 4.1 -4.2 -5.2 1424 342 D Y - 0 0 21 -6,-0.3 2,-0.7 -62,-0.2 -9,-0.0 -0.582 48.2-145.7 -80.7 136.0 6.4 -7.1 -4.1 1425 343 D V > - 0 0 103 -2,-0.3 3,-2.5 1,-0.0 4,-0.2 -0.896 31.6-111.0 -99.7 110.5 5.8 -10.5 -5.4 1426 345 D A T 3 S+ 0 0 72 -2,-0.7 -1,-0.0 1,-0.3 -67,-0.0 -0.046 97.1 7.8 -46.5 129.6 6.6 -13.1 -2.7 1427 346 D G T > S+ 0 0 42 3,-0.3 3,-1.9 -68,-0.1 -1,-0.3 0.227 92.2 115.8 81.9 -9.3 9.7 -15.2 -3.5 1428 347 D S T < S+ 0 0 82 -3,-2.5 -2,-0.1 1,-0.3 3,-0.1 0.732 78.9 47.1 -63.2 -24.2 10.7 -13.1 -6.5 1429 348 D A T 3 S- 0 0 13 1,-0.4 -1,-0.3 -4,-0.2 3,-0.1 0.259 122.3-105.5-100.6 10.3 13.9 -12.0 -4.8 1430 349 D G < - 0 0 31 -3,-1.9 -1,-0.4 1,-0.2 -3,-0.3 -0.241 42.5 -60.3 93.0 178.5 14.7 -15.5 -3.8 1431 351 D A S S- 0 0 91 1,-0.1 -72,-0.5 -3,-0.1 -1,-0.2 0.885 71.2-176.7 -65.3 -47.5 14.6 -17.4 -0.5 1432 352 D G - 0 0 34 -3,-0.1 -1,-0.1 -74,-0.1 -75,-0.0 -0.330 34.9 -11.7 80.6-158.7 17.1 -15.1 1.3 1433 353 D S - 0 0 20 1,-0.1 -74,-0.3 -47,-0.1 3,-0.1 -0.154 59.9-119.7 -72.7 161.0 18.5 -15.5 4.8 1434 354 D G S S- 0 0 59 1,-0.2 -76,-0.5 -77,-0.1 2,-0.3 0.081 70.4 -44.9 -73.5-157.8 17.4 -17.8 7.6 1435 355 D S - 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