==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-AUG-11 3TML . COMPND 2 MOLECULE: 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA CENOCEPACIA; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1054 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37091.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 740 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 156 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 2.7 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 48 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 143 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 335 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.9 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 2 2 4 1 5 0 0 0 4 0 4 4 3 0 4 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 8 20 4 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 PARALLEL BRIDGES PER LADDER . 0 4 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 . 12 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 0 A S 0 0 79 0, 0.0 2,-0.4 0, 0.0 9,-0.2 0.000 360.0 360.0 360.0 153.0 1.1 -21.3 29.1 2 1 A M E -A 9 0A 3 7,-2.8 7,-3.1 2,-0.0 2,-0.4 -0.964 360.0-122.7-114.0 140.9 -0.4 -24.1 31.3 3 2 A K E +A 8 0A 84 -2,-0.4 2,-0.4 147,-0.3 5,-0.2 -0.677 33.7 175.9 -80.1 131.3 -2.3 -27.1 29.8 4 3 A L E > -A 7 0A 2 3,-3.0 3,-2.0 -2,-0.4 90,-0.1 -0.955 59.8 -41.8-140.9 116.7 -5.8 -27.4 31.3 5 4 A C T 3 S- 0 0 50 -2,-0.4 44,-0.0 1,-0.2 -1,-0.0 -0.374 124.5 -24.3 56.1-135.3 -8.2 -30.1 30.0 6 5 A D T 3 S+ 0 0 106 -3,-0.1 -1,-0.2 2,-0.0 2,-0.2 0.309 128.1 59.3 -92.1 14.3 -7.7 -30.1 26.2 7 6 A F E < S-A 4 0A 47 -3,-2.0 -3,-3.0 -5,-0.0 2,-0.4 -0.782 79.0-106.5-134.6 174.0 -6.4 -26.5 25.8 8 7 A E E -A 3 0A 43 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.880 35.3-173.3-104.4 135.1 -3.7 -24.1 26.8 9 8 A V E +A 2 0A 0 -7,-3.1 -7,-2.8 -2,-0.4 2,-0.3 -0.859 22.1 103.6-127.4 159.1 -4.4 -21.3 29.3 10 9 A G S > S- 0 0 5 -2,-0.3 3,-1.9 204,-0.3 203,-0.1 -0.842 78.6 -70.6 152.7 170.9 -2.5 -18.4 30.7 11 10 A L T 3 S+ 0 0 47 1,-0.3 -1,-0.1 -2,-0.3 202,-0.1 0.813 130.3 53.0 -60.2 -31.5 -2.1 -14.6 30.6 12 11 A D T 3 S+ 0 0 99 -3,-0.1 -1,-0.3 2,-0.1 202,-0.1 0.296 105.0 69.2 -84.4 4.5 -0.6 -15.1 27.1 13 12 A Q S < S- 0 0 52 -3,-1.9 -3,-0.2 1,-0.1 3,-0.1 -0.824 97.9 -80.6-120.1 164.5 -3.6 -17.1 25.8 14 13 A P - 0 0 77 0, 0.0 -4,-0.2 0, 0.0 -2,-0.1 -0.376 62.3 -99.1 -57.7 140.5 -7.3 -16.3 25.0 15 14 A F - 0 0 3 232,-0.1 2,-0.3 233,-0.1 200,-0.3 -0.231 35.3-141.1 -65.3 148.8 -9.3 -16.3 28.3 16 15 A F E -b 215 0B 0 198,-1.6 200,-2.3 30,-0.2 2,-0.5 -0.773 9.6-130.3-106.2 158.8 -11.3 -19.4 29.2 17 16 A L E -bc 216 48B 0 30,-2.9 32,-2.7 -2,-0.3 2,-0.5 -0.925 13.9-170.0-112.6 132.1 -14.7 -19.5 30.8 18 17 A I E +bc 217 49B 0 198,-2.7 200,-2.4 -2,-0.5 2,-0.3 -0.989 34.8 145.5-107.9 122.9 -15.8 -21.5 33.9 19 18 A A E +bc 218 50B 0 30,-2.0 32,-1.7 -2,-0.5 2,-0.3 -0.995 5.1 116.8-157.2 159.6 -19.6 -21.2 34.1 20 19 A G E -b 219 0B 0 198,-0.8 200,-2.0 -2,-0.3 2,-0.2 -0.959 64.5 -46.0 165.4-176.8 -22.8 -23.1 35.1 21 20 A T - 0 0 0 -2,-0.3 32,-0.3 198,-0.2 200,-0.1 -0.528 57.2-113.3 -75.2 149.3 -25.7 -23.0 37.5 22 21 A C S S+ 0 0 21 207,-0.3 31,-1.8 198,-0.3 2,-0.3 0.913 95.7 10.0 -48.1 -53.4 -24.7 -22.4 41.1 23 22 A V B S-j 53 0C 41 29,-0.2 2,-0.9 206,-0.2 31,-0.2 -0.780 90.9 -92.9-123.6 163.7 -25.8 -25.9 42.3 24 23 A V + 0 0 29 29,-2.3 3,-0.1 -2,-0.3 28,-0.1 -0.728 49.3 168.2 -78.0 107.2 -26.8 -29.1 40.5 25 24 A E - 0 0 58 -2,-0.9 2,-0.3 1,-0.4 -1,-0.2 0.786 60.0 -21.4 -89.5 -29.3 -30.6 -28.7 40.4 26 25 A S > - 0 0 50 1,-0.1 4,-2.1 34,-0.1 -1,-0.4 -0.941 58.7-108.5-179.5 148.4 -31.6 -31.4 38.0 27 26 A E H > S+ 0 0 70 -2,-0.3 4,-3.1 2,-0.2 5,-0.2 0.941 121.0 43.5 -60.9 -47.4 -30.1 -33.6 35.2 28 27 A Q H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.883 112.8 51.2 -67.0 -41.5 -32.1 -31.7 32.6 29 28 A M H > S+ 0 0 49 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.919 116.3 43.3 -56.8 -42.5 -31.4 -28.3 34.0 30 29 A T H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.951 115.8 44.8 -73.1 -47.9 -27.7 -29.2 34.0 31 30 A I H X S+ 0 0 16 -4,-3.1 4,-1.8 1,-0.2 -3,-0.2 0.892 115.7 47.6 -67.7 -37.6 -27.5 -30.8 30.6 32 31 A D H X S+ 0 0 113 -4,-2.4 4,-2.3 -5,-0.2 5,-0.2 0.945 114.4 44.9 -66.5 -47.8 -29.5 -28.1 28.9 33 32 A T H X S+ 0 0 1 -4,-2.0 4,-2.4 -5,-0.3 5,-0.2 0.930 114.1 49.4 -63.7 -43.7 -27.6 -25.2 30.5 34 33 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.884 111.2 51.6 -63.0 -36.7 -24.2 -26.9 29.7 35 34 A G H X S+ 0 0 23 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.896 110.2 45.8 -67.4 -45.0 -25.4 -27.5 26.1 36 35 A R H X S+ 0 0 39 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.905 113.3 50.9 -65.2 -40.9 -26.4 -23.8 25.5 37 36 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.883 107.9 53.4 -62.5 -41.3 -23.1 -22.6 27.1 38 37 A K H X S+ 0 0 58 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.911 110.9 46.0 -57.7 -45.6 -21.2 -25.0 24.8 39 38 A E H X S+ 0 0 57 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.924 114.1 47.5 -64.3 -49.7 -22.9 -23.5 21.7 40 39 A I H X S+ 0 0 40 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.947 116.1 44.3 -54.5 -52.8 -22.4 -19.9 22.8 41 40 A C H X>S+ 0 0 2 -4,-2.9 5,-2.4 1,-0.2 4,-0.8 0.860 110.5 54.0 -64.1 -41.7 -18.7 -20.5 23.6 42 41 A E H ><5S+ 0 0 128 -4,-2.6 3,-0.7 -5,-0.2 -1,-0.2 0.902 106.3 53.5 -53.9 -47.0 -18.0 -22.6 20.4 43 42 A K H 3<5S+ 0 0 82 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.822 118.0 36.1 -60.0 -34.1 -19.4 -19.7 18.3 44 43 A L H 3<5S- 0 0 39 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.420 107.3-119.8-100.0 -0.5 -16.9 -17.3 20.1 45 44 A N T <<5 + 0 0 91 -4,-0.8 -3,-0.2 -3,-0.7 -4,-0.1 0.916 59.5 151.0 54.9 45.0 -13.9 -19.6 20.5 46 45 A V < - 0 0 9 -5,-2.4 -1,-0.2 -6,-0.1 -30,-0.2 -0.955 49.6-125.2-102.0 113.5 -14.0 -19.2 24.2 47 46 A P - 0 0 33 0, 0.0 -30,-2.9 0, 0.0 2,-0.4 -0.398 35.8-152.8 -55.4 140.0 -12.6 -22.4 25.8 48 47 A F E -c 17 0B 13 -32,-0.2 2,-0.4 -30,-0.0 -30,-0.2 -0.971 25.2-176.4-134.8 132.7 -15.2 -23.6 28.2 49 48 A I E -c 18 0B 0 -32,-2.7 -30,-2.0 -2,-0.4 2,-0.3 -0.994 25.7-133.9-124.8 127.9 -15.3 -25.6 31.4 50 49 A Y E -cd 19 75B 0 24,-2.5 26,-2.5 -2,-0.4 2,-0.4 -0.640 24.4-171.9 -85.8 134.6 -18.7 -26.5 33.0 51 50 A K E + d 0 76B 2 -32,-1.7 2,-0.3 -2,-0.3 26,-0.2 -0.987 17.9 151.3-125.3 133.4 -19.2 -26.0 36.8 52 51 A S - 0 0 0 24,-0.9 2,-0.2 -2,-0.4 -29,-0.2 -0.961 34.5-128.0-144.5 151.3 -21.9 -26.8 39.3 53 52 A S B j 23 0C 18 -31,-1.8 -29,-2.3 -32,-0.3 26,-0.1 -0.638 360.0 360.0 -87.8 153.8 -21.6 -27.5 43.0 54 53 A Y 0 0 53 24,-0.3 3,-0.2 -2,-0.2 -1,-0.1 -0.461 360.0 360.0-107.4 360.0 -23.1 -30.7 44.7 55 ! 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 56 68 A G > 0 0 90 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-170.3 -26.3 -34.6 47.4 57 69 A M H > + 0 0 36 -3,-0.2 4,-2.5 2,-0.2 5,-0.2 0.906 360.0 49.1 -64.0 -48.3 -22.7 -35.5 46.4 58 70 A D H > S+ 0 0 113 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.927 117.4 40.9 -59.5 -45.3 -23.3 -38.9 44.7 59 71 A E H > S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.837 112.7 55.2 -72.9 -38.1 -26.1 -37.6 42.5 60 72 A G H X S+ 0 0 3 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.924 110.5 44.8 -59.4 -47.1 -24.3 -34.4 41.8 61 73 A L H X S+ 0 0 4 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.791 110.0 56.1 -70.1 -31.0 -21.2 -36.2 40.5 62 74 A R H X S+ 0 0 99 -4,-1.5 4,-1.3 -5,-0.2 -1,-0.2 0.963 109.6 45.0 -59.9 -52.0 -23.3 -38.6 38.5 63 75 A I H X S+ 0 0 8 -4,-2.2 4,-1.5 1,-0.2 3,-0.5 0.905 111.3 53.5 -62.8 -41.9 -25.0 -35.7 36.7 64 76 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.861 104.1 56.0 -60.2 -34.5 -21.6 -34.0 36.2 65 77 A S H X S+ 0 0 46 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.830 105.7 53.7 -63.0 -31.8 -20.3 -37.3 34.6 66 78 A E H X S+ 0 0 30 -4,-1.3 4,-2.7 -3,-0.5 5,-0.4 0.816 101.1 56.5 -75.5 -33.0 -23.2 -37.0 32.1 67 79 A V H X S+ 0 0 0 -4,-1.5 4,-2.2 3,-0.2 6,-0.9 0.937 113.0 43.1 -57.6 -48.8 -22.3 -33.5 31.1 68 80 A K H X S+ 0 0 63 -4,-1.6 4,-2.1 4,-0.2 -2,-0.2 0.977 118.7 42.6 -59.4 -58.7 -18.8 -35.0 30.2 69 81 A R H < S+ 0 0 172 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.910 123.8 35.2 -56.9 -45.9 -20.1 -38.1 28.5 70 82 A Q H < S+ 0 0 97 -4,-2.7 -1,-0.2 -5,-0.1 -3,-0.2 0.857 132.0 24.6 -83.6 -38.8 -23.0 -36.4 26.6 71 83 A L H < S- 0 0 31 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.2 0.550 93.1-128.0-107.6 -8.1 -21.5 -33.0 25.7 72 84 A G < + 0 0 67 -4,-2.1 -4,-0.2 -5,-0.4 -3,-0.1 0.717 59.8 144.3 69.0 20.9 -17.7 -33.8 25.7 73 85 A L - 0 0 14 -6,-0.9 -1,-0.2 -5,-0.1 2,-0.2 -0.668 52.8-118.4 -91.4 145.7 -17.1 -30.8 28.1 74 86 A P - 0 0 20 0, 0.0 -24,-2.5 0, 0.0 2,-0.4 -0.524 33.0-147.3 -73.6 152.3 -14.6 -30.7 30.9 75 87 A V E -d 50 0B 0 -26,-0.2 18,-2.3 -2,-0.2 19,-1.6 -0.938 14.3-168.2-128.6 146.0 -16.1 -30.2 34.4 76 88 A L E +de 51 94B 0 -26,-2.5 -24,-0.9 -2,-0.4 2,-0.3 -0.971 11.4 169.7-125.0 142.3 -15.0 -28.4 37.5 77 89 A T E - e 0 95B 0 17,-1.6 19,-1.3 -2,-0.4 2,-0.3 -0.979 33.3-104.6-146.5 163.9 -16.4 -28.6 41.0 78 90 A D E - e 0 96B 17 -2,-0.3 2,-0.4 17,-0.2 -24,-0.3 -0.652 25.1-152.7 -83.0 142.8 -15.6 -27.5 44.6 79 91 A V - 0 0 0 17,-2.2 3,-0.1 -2,-0.3 32,-0.0 -0.933 7.8-170.8-115.6 141.6 -14.3 -30.0 47.2 80 92 A H + 0 0 85 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.643 62.2 24.2-108.3 -19.7 -15.0 -29.3 50.9 81 93 A S S >> S- 0 0 36 1,-0.1 3,-1.3 26,-0.1 4,-0.7 -0.968 74.3-110.6-148.4 158.4 -13.0 -31.8 52.8 82 94 A I G >4 S+ 0 0 80 -2,-0.3 3,-1.1 1,-0.2 4,-0.5 0.901 115.9 57.5 -56.1 -40.4 -9.9 -34.1 52.6 83 95 A D G 34 S+ 0 0 138 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.644 101.4 55.2 -72.8 -12.3 -12.2 -37.2 52.5 84 96 A E G <> S+ 0 0 40 -3,-1.3 4,-2.6 1,-0.1 -1,-0.2 0.664 88.0 82.9 -82.8 -19.0 -14.2 -36.0 49.4 85 97 A I H S+ 0 0 166 -4,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.929 115.9 39.4 -58.3 -48.6 -10.6 -39.1 46.0 87 99 A Q H > S+ 0 0 83 -4,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.925 116.4 50.1 -66.0 -47.3 -14.2 -39.5 44.7 88 100 A V H >X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 3,-1.5 0.942 110.7 49.0 -57.4 -49.5 -14.5 -36.0 43.3 89 101 A A H 3< S+ 0 0 8 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.767 103.4 61.3 -63.7 -29.6 -11.1 -36.2 41.4 90 102 A S H 3< S+ 0 0 90 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.736 117.6 29.9 -66.8 -23.1 -12.1 -39.6 39.9 91 103 A V H << S+ 0 0 35 -3,-1.5 -2,-0.2 -4,-0.8 -3,-0.1 0.863 112.0 58.5-101.0 -49.1 -15.1 -37.8 38.2 92 104 A V < - 0 0 0 -4,-2.7 -16,-0.2 1,-0.1 3,-0.1 -0.268 63.7-139.2 -88.4 166.2 -14.2 -34.2 37.4 93 105 A D S S+ 0 0 35 -18,-2.3 2,-0.4 1,-0.3 -88,-0.2 0.715 88.1 27.6 -91.9 -23.6 -11.4 -32.6 35.3 94 106 A V E -e 76 0B 0 -19,-1.6 -17,-1.6 22,-0.1 -1,-0.3 -0.996 68.0-147.4-143.3 131.9 -10.6 -29.7 37.7 95 107 A L E -ef 77 118B 0 22,-2.9 24,-2.7 -2,-0.4 2,-0.3 -0.672 10.7-160.1 -90.9 155.8 -10.9 -29.3 41.4 96 108 A Q E -ef 78 119B 1 -19,-1.3 -17,-2.2 -2,-0.3 24,-0.2 -0.997 8.8-142.7-132.4 140.2 -11.7 -26.0 43.1 97 109 A T E - f 0 120B 0 22,-2.0 24,-0.9 -2,-0.3 -17,-0.1 -0.829 24.7-107.6-105.4 139.0 -10.9 -25.1 46.8 98 110 A P > - 0 0 30 0, 0.0 3,-1.1 0, 0.0 25,-0.1 -0.332 27.7-125.2 -56.7 140.6 -13.2 -23.0 49.0 99 111 A A G > S+ 0 0 7 1,-0.2 3,-1.7 2,-0.2 24,-0.2 0.849 107.7 58.5 -55.9 -43.4 -11.7 -19.6 49.7 100 112 A F G 3 S+ 0 0 152 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.732 103.1 55.3 -62.7 -23.6 -11.8 -20.0 53.5 101 113 A L G X S+ 0 0 45 -3,-1.1 3,-2.0 1,-0.2 -1,-0.3 0.307 71.1 110.1 -94.2 11.4 -9.6 -23.1 53.3 102 114 A C T < S+ 0 0 2 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.711 85.8 39.9 -63.1 -22.5 -6.7 -21.4 51.4 103 115 A R T 3 S+ 0 0 70 -3,-0.4 2,-1.5 -4,-0.1 -1,-0.3 0.266 85.7 103.2-106.2 8.8 -4.4 -21.7 54.5 104 116 A Q <> - 0 0 99 -3,-2.0 4,-2.4 1,-0.2 3,-0.5 -0.672 53.3-177.8 -90.5 84.8 -5.6 -25.2 55.5 105 117 A T H > S+ 0 0 79 -2,-1.5 4,-3.0 1,-0.2 5,-0.2 0.738 72.4 58.5 -67.4 -27.3 -2.5 -26.9 54.1 106 118 A D H > S+ 0 0 81 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.951 114.4 42.8 -62.5 -41.4 -3.3 -30.5 54.9 107 119 A F H > S+ 0 0 5 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.925 114.6 47.6 -66.2 -48.7 -6.3 -29.9 52.7 108 120 A I H X S+ 0 0 7 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.934 113.1 50.1 -61.8 -45.4 -4.5 -27.9 50.0 109 121 A H H X S+ 0 0 56 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.826 108.0 52.8 -57.8 -41.1 -1.8 -30.6 49.9 110 122 A A H < S+ 0 0 16 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.925 110.5 47.3 -64.0 -42.2 -4.3 -33.3 49.5 111 123 A C H >< S+ 0 0 1 -4,-2.3 3,-1.8 1,-0.2 5,-0.4 0.928 109.6 54.6 -63.6 -42.1 -5.9 -31.5 46.5 112 124 A A H 3< S+ 0 0 0 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.846 109.9 45.9 -60.2 -36.5 -2.4 -31.0 45.1 113 125 A R T 3< S+ 0 0 127 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.302 86.8 98.7 -87.6 11.4 -1.8 -34.7 45.2 114 126 A S S < S- 0 0 30 -3,-1.8 -1,-0.2 2,-0.2 -2,-0.1 0.745 93.6-116.8 -74.3 -25.2 -5.2 -35.6 43.7 115 127 A G S S+ 0 0 37 -3,-0.5 -1,-0.1 1,-0.4 -3,-0.1 0.203 85.3 91.6 102.0 -7.7 -4.0 -36.1 40.1 116 128 A K S S- 0 0 57 -5,-0.4 -1,-0.4 1,-0.1 -2,-0.2 -0.779 83.5 -99.1-117.6 159.7 -6.1 -33.2 38.9 117 129 A P - 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0 0 115 -3,-2.1 4,-2.6 1,-0.2 3,-0.3 -0.656 52.6-170.6 -79.8 93.5 -18.4 -22.0 -21.0 371 117 B T H > S+ 0 0 92 -2,-1.4 4,-2.9 1,-0.2 5,-0.2 0.867 78.2 52.5 -62.3 -42.9 -21.7 -23.6 -20.0 372 118 B D H > S+ 0 0 52 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.915 115.2 44.4 -56.5 -40.0 -20.8 -27.3 -20.5 373 119 B F H > S+ 0 0 5 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.912 114.7 45.9 -74.5 -46.6 -17.8 -26.7 -18.2 374 120 B I H X S+ 0 0 8 -4,-2.6 4,-2.7 -7,-0.2 -2,-0.2 0.898 113.1 52.1 -59.9 -42.8 -19.6 -24.6 -15.5 375 121 B H H X S+ 0 0 56 -4,-2.9 4,-1.7 -5,-0.2 -2,-0.2 0.871 107.5 52.4 -59.4 -39.5 -22.4 -27.3 -15.6 376 122 B A H < S+ 0 0 11 -4,-1.7 4,-0.4 -5,-0.2 -2,-0.2 0.910 110.9 45.5 -67.2 -42.8 -19.8 -30.0 -15.1 377 123 B C H >< S+ 0 0 1 -4,-2.0 3,-1.4 1,-0.2 5,-0.4 0.929 111.0 55.2 -61.8 -42.1 -18.4 -28.3 -12.0 378 124 B A H 3< S+ 0 0 0 -4,-2.7 3,-0.4 1,-0.3 -2,-0.2 0.843 111.2 43.5 -61.1 -34.7 -21.9 -27.6 -10.8 379 125 B R T 3< S+ 0 0 127 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.436 87.3 97.5 -87.3 -2.7 -22.7 -31.4 -11.0 380 126 B S S < S- 0 0 31 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.1 0.703 93.1-120.5 -60.7 -23.1 -19.3 -32.4 -9.4 381 127 B G S S+ 0 0 35 -3,-0.4 -1,-0.1 1,-0.4 -3,-0.1 0.313 84.1 94.1 89.3 -3.3 -20.7 -32.8 -5.9 382 128 B K S S- 0 0 60 -5,-0.4 -1,-0.4 1,-0.0 -2,-0.2 -0.835 84.0 -99.3-112.6 156.9 -18.4 -30.2 -4.5 383 129 B P - 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0 0 0 -4,-0.3 -30,-0.2 -205,-0.1 -205,-0.1 -0.908 38.3-134.3-135.8 165.9 -7.9 9.2 3.0 1015 233 D A S S+ 0 0 1 -32,-2.5 -200,-1.7 -2,-0.3 -206,-0.3 0.757 86.7 12.9 -86.6 -31.4 -7.6 12.6 4.7 1016 234 D G E -ls 815 984Q 0 -33,-1.6 -31,-2.4 -202,-0.3 2,-0.4 -0.975 57.3-147.4-151.5 158.5 -11.1 13.7 3.9 1017 235 D L E -ls 816 985Q 0 -202,-2.7 -200,-3.2 -2,-0.3 2,-0.4 -0.993 7.3-160.6-132.5 133.1 -14.5 12.7 2.6 1018 236 D F E +ls 817 986Q 1 -33,-2.9 -31,-1.9 -2,-0.4 -30,-0.8 -0.969 20.0 160.9-109.1 132.3 -17.1 14.7 0.6 1019 237 D M E -l 818 0Q 0 -202,-2.0 -200,-0.8 -2,-0.4 2,-0.3 -0.981 31.7-133.0-145.0 140.0 -20.8 13.7 0.5 1020 238 D E E -l 819 0Q 3 -2,-0.3 16,-2.3 14,-0.2 2,-0.3 -0.698 29.5-179.3 -82.1 144.1 -24.0 15.5 -0.5 1021 239 D T E -v 1036 0T 1 -202,-2.6 -200,-0.2 -2,-0.3 3,-0.1 -0.914 11.5-173.2-136.2 162.3 -26.9 15.2 1.9 1022 240 D H E -v 1037 0T 7 14,-1.6 16,-2.4 -2,-0.3 17,-0.3 -0.979 32.4-128.1-151.8 145.8 -30.5 16.4 2.0 1023 241 D P S S+ 0 0 58 0, 0.0 16,-0.3 0, 0.0 -1,-0.1 0.879 111.9 9.2 -59.2 -35.6 -33.2 16.3 4.7 1024 242 D N S > S- 0 0 51 13,-0.1 3,-3.1 -3,-0.1 4,-0.2 -0.655 72.3-171.9-145.7 79.6 -35.6 14.8 2.0 1025 243 D P G > S+ 0 0 12 0, 0.0 3,-1.0 0, 0.0 10,-0.1 0.667 81.6 71.3 -49.6 -26.1 -33.6 14.0 -1.2 1026 244 D A G 3 S+ 0 0 110 1,-0.2 6,-0.1 -4,-0.1 0, 0.0 0.747 105.8 38.7 -61.4 -25.2 -36.8 13.3 -3.0 1027 245 D E G < S+ 0 0 80 -3,-3.1 -1,-0.2 5,-0.1 5,-0.0 0.288 87.6 133.1-107.6 9.4 -37.5 17.1 -2.9 1028 246 D A < - 0 0 24 -3,-1.0 4,-0.2 -4,-0.2 3,-0.1 -0.195 56.7-137.2 -62.3 151.1 -33.9 18.3 -3.6 1029 247 D K S S+ 0 0 76 1,-0.2 2,-0.3 -207,-0.2 -1,-0.1 0.579 85.4 18.6 -86.2 -9.7 -33.3 21.0 -6.2 1030 248 D S S S- 0 0 50 -208,-0.1 -209,-0.4 -5,-0.1 -1,-0.2 -0.917 127.4 -3.1-164.6 134.2 -30.2 19.2 -7.7 1031 249 D D S >> S+ 0 0 40 -2,-0.3 3,-1.8 -3,-0.1 4,-0.6 0.711 72.3 154.3 59.4 24.0 -28.6 15.7 -7.7 1032 250 D G G >4 + 0 0 6 1,-0.3 3,-1.5 2,-0.2 -5,-0.1 0.869 62.1 62.2 -50.1 -45.0 -31.4 14.5 -5.3 1033 251 D P G 34 S+ 0 0 73 0, 0.0 -34,-0.8 0, 0.0 -1,-0.3 0.745 108.8 42.4 -57.4 -24.2 -31.1 10.9 -6.5 1034 252 D N G <4 S+ 0 0 20 -3,-1.8 2,-0.2 -36,-0.1 -14,-0.2 0.442 89.4 108.8-102.6 1.6 -27.5 10.7 -5.2 1035 253 D A << - 0 0 2 -3,-1.5 -14,-0.3 -4,-0.6 -36,-0.1 -0.521 66.7-129.3 -79.9 138.1 -27.8 12.5 -1.9 1036 254 D V E -v 1021 0T 0 -16,-2.3 -14,-1.6 -2,-0.2 2,-0.1 -0.740 35.2-107.0 -77.5 132.6 -27.6 10.6 1.4 1037 255 D P E >> -v 1022 0T 22 0, 0.0 3,-2.1 0, 0.0 4,-0.6 -0.429 21.4-127.1 -62.2 140.4 -30.6 11.5 3.6 1038 256 D L G >4 S+ 0 0 15 -16,-2.4 3,-1.0 1,-0.3 4,-0.5 0.807 106.9 59.1 -57.1 -36.8 -29.6 13.7 6.5 1039 257 D N G 34 S+ 0 0 136 -16,-0.3 -1,-0.3 -17,-0.3 4,-0.2 0.420 106.5 48.3 -80.0 2.1 -31.2 11.3 9.0 1040 258 D R G <> S+ 0 0 14 -3,-2.1 4,-2.0 2,-0.1 -1,-0.2 0.450 88.1 87.2-111.0 -3.5 -28.9 8.5 7.9 1041 259 D M H S+ 0 0 23 -4,-0.5 4,-2.7 2,-0.2 5,-0.2 0.957 110.1 48.2 -61.9 -50.6 -24.9 9.9 11.7 1043 261 D A H > S+ 0 0 56 2,-0.2 4,-1.8 -4,-0.2 -1,-0.2 0.922 115.7 45.0 -52.0 -49.4 -25.2 6.1 11.3 1044 262 D L H X S+ 0 0 4 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.958 113.1 49.5 -62.1 -49.8 -22.9 6.2 8.2 1045 263 D L H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.848 107.0 55.6 -60.3 -37.0 -20.4 8.6 9.8 1046 264 D E H X S+ 0 0 108 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.924 109.6 46.1 -63.8 -42.1 -20.2 6.4 12.9 1047 265 D T H X S+ 0 0 23 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.956 112.3 51.9 -63.5 -44.1 -19.3 3.4 10.8 1048 266 D L H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.902 105.3 54.3 -64.0 -40.9 -16.7 5.5 8.8 1049 267 D V H X S+ 0 0 18 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.958 107.7 51.4 -54.2 -46.4 -15.0 6.7 12.0 1050 268 D T H X S+ 0 0 28 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.914 113.2 44.3 -56.2 -46.9 -14.6 3.1 13.1 1051 269 D L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.935 111.1 53.9 -62.2 -47.9 -13.0 2.2 9.7 1052 270 D D H X S+ 0 0 5 -4,-3.0 4,-1.3 1,-0.2 -2,-0.2 0.907 111.3 45.7 -54.6 -47.4 -10.8 5.3 9.7 1053 271 D Q H X S+ 0 0 48 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.893 109.3 55.4 -63.4 -41.4 -9.4 4.4 13.2 1054 272 D A H < S+ 0 0 17 -4,-2.0 4,-0.4 -5,-0.2 -1,-0.2 0.858 112.4 40.9 -60.7 -42.9 -8.8 0.8 12.3 1055 273 D V H < S+ 0 0 4 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.680 118.5 45.1 -84.9 -18.2 -6.7 1.6 9.2 1056 274 D K H < S+ 0 0 43 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.538 89.9 82.9-101.4 -7.1 -4.7 4.5 10.8 1057 275 D R S < S+ 0 0 45 -4,-1.5 -1,-0.1 -5,-0.1 -2,-0.1 0.876 104.8 24.5 -59.9 -39.9 -3.9 2.8 14.2 1058 276 D N S S- 0 0 87 -4,-0.4 3,-0.1 1,-0.1 0, 0.0 -0.786 106.9 -78.6-121.9 162.6 -1.0 1.0 12.5 1059 277 D P - 0 0 115 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.224 56.5 -96.1 -59.9 153.0 1.1 2.0 9.5 1060 278 D F > - 0 0 16 1,-0.1 3,-1.9 -4,-0.1 4,-0.5 -0.586 30.2-135.2 -66.2 130.2 -0.5 1.2 6.1 1061 279 D L G > S+ 0 0 33 -2,-0.3 3,-1.9 1,-0.3 4,-0.4 0.869 99.9 67.8 -61.5 -35.9 0.9 -2.2 5.0 1062 280 D E G > S+ 0 0 13 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.716 87.9 67.6 -54.6 -21.7 1.5 -0.9 1.4 1063 281 D N G < S+ 0 0 109 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.796 90.7 60.5 -72.4 -26.5 4.2 1.4 2.8 1064 282 D D G < 0 0 81 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 0.584 360.0 360.0 -67.5 -11.8 6.3 -1.7 3.6 1065 283 D F < 0 0 62 -3,-1.0 -1,-0.3 -4,-0.4 -599,-0.2 -0.104 360.0 360.0-117.1 360.0 6.1 -2.2 -0.2