==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 06-JUL-10 3NTY . COMPND 2 MOLECULE: ALDO-KETO REDUCTASE FAMILY 1 MEMBER C1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR U.DHAGAT,O.EL-KABBANI . 318 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.1 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 20 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 0 0 0 1 2 2 0 1 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 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 PARALLEL BRIDGES PER LADDER . 3 0 1 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 . 1 0 0 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 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 6 A Q 0 0 157 0, 0.0 12,-2.6 0, 0.0 13,-0.4 0.000 360.0 360.0 360.0 134.9 22.0 7.2 33.7 2 7 A C E -A 12 0A 58 10,-0.3 2,-0.4 11,-0.1 8,-0.0 -0.834 360.0-141.5-130.6 157.7 22.4 8.3 30.1 3 8 A V E -A 11 0A 41 8,-2.3 8,-1.9 -2,-0.3 2,-0.6 -0.979 24.0-122.5-121.0 136.6 24.4 7.4 27.0 4 9 A K E -A 10 0A 131 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.730 28.9-146.6 -82.1 118.6 25.8 9.9 24.6 5 10 A L > - 0 0 3 4,-2.7 3,-2.0 -2,-0.6 201,-0.1 -0.351 28.8-104.2 -76.6 161.6 24.5 9.2 21.1 6 11 A N T 3 S+ 0 0 47 199,-0.4 174,-0.1 1,-0.3 -1,-0.1 0.385 120.8 62.0 -70.0 5.4 26.6 9.8 17.9 7 12 A D T 3 S- 0 0 33 2,-0.3 -1,-0.3 175,-0.1 3,-0.1 0.353 117.5-108.8-109.8 1.3 24.4 12.9 17.4 8 13 A G S < S+ 0 0 41 -3,-2.0 -2,-0.1 1,-0.4 149,-0.1 0.035 83.5 118.3 93.9 -26.1 25.4 14.7 20.6 9 14 A H - 0 0 64 -5,-0.1 -4,-2.7 147,-0.1 -1,-0.4 -0.244 61.5-123.2 -70.4 161.2 22.0 14.1 22.2 10 15 A F E -A 4 0A 118 -6,-0.2 -6,-0.2 -3,-0.1 -1,-0.1 -0.819 18.8-163.9-109.5 148.8 21.6 12.0 25.4 11 16 A M E -A 3 0A 0 -8,-1.9 -8,-2.3 -2,-0.3 32,-0.1 -0.992 25.0-120.3-133.1 125.4 19.5 8.9 25.9 12 17 A P E -A 2 0A 20 0, 0.0 -10,-0.3 0, 0.0 29,-0.0 -0.393 21.1-138.5 -61.1 136.6 18.4 7.4 29.3 13 18 A V S S+ 0 0 17 -12,-2.6 249,-2.9 248,-0.1 2,-0.5 0.693 89.0 63.4 -78.4 -21.6 19.8 3.8 29.4 14 19 A L E S-b 262 0B 10 -13,-0.4 29,-0.7 247,-0.2 28,-0.5 -0.923 73.3-172.2 -99.9 126.8 16.6 2.4 31.0 15 20 A G E -bc 263 43B 0 247,-2.8 249,-1.6 -2,-0.5 2,-0.6 -0.898 22.9-127.5-122.8 149.0 13.5 2.8 28.8 16 21 A F E -bc 264 44B 1 27,-3.2 29,-2.5 -2,-0.3 2,-0.3 -0.835 23.1-144.9 -94.5 115.1 9.7 2.2 29.4 17 22 A G E -b 265 0B 8 247,-1.8 249,-0.6 -2,-0.6 29,-0.1 -0.621 16.8-177.0 -79.3 144.7 8.1 -0.0 26.8 18 23 A T + 0 0 1 27,-0.5 2,-0.1 -2,-0.3 -1,-0.1 0.512 39.8 114.4-124.0 -6.9 4.5 0.9 25.9 19 24 A Y + 0 0 53 26,-0.1 32,-0.1 27,-0.0 -2,-0.0 -0.455 39.5 179.9 -61.6 137.6 3.3 -1.8 23.4 20 25 A A - 0 0 17 30,-0.2 -2,-0.0 -2,-0.1 9,-0.0 -0.980 36.0 -88.5-136.0 154.1 0.6 -4.0 24.7 21 26 A P > - 0 0 23 0, 0.0 3,-2.4 0, 0.0 -1,-0.0 -0.129 45.6-105.2 -50.9 146.7 -1.3 -6.9 23.0 22 27 A A T 3 S+ 0 0 92 1,-0.3 4,-0.1 4,-0.0 -2,-0.0 0.824 116.9 65.3 -48.5 -34.5 -4.4 -5.9 20.9 23 28 A E T 3 S+ 0 0 183 2,-0.1 -1,-0.3 3,-0.0 3,-0.0 0.566 79.6 94.4 -72.4 -9.0 -6.7 -7.3 23.7 24 29 A V S < S- 0 0 46 -3,-2.4 -4,-0.1 1,-0.1 5,-0.1 -0.744 86.7-111.1 -87.6 124.1 -5.6 -4.7 26.3 25 30 A P > - 0 0 76 0, 0.0 3,-1.2 0, 0.0 4,-0.4 -0.160 20.4-125.3 -50.6 144.0 -7.9 -1.6 26.4 26 31 A K T > S+ 0 0 118 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.760 106.4 71.3 -66.8 -16.7 -6.2 1.5 25.1 27 32 A S T >> S+ 0 0 78 1,-0.2 3,-1.2 2,-0.2 4,-1.0 0.845 84.4 68.3 -65.0 -31.6 -7.0 3.3 28.4 28 33 A K H <> S+ 0 0 117 -3,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.812 88.7 63.5 -56.9 -36.2 -4.4 1.1 30.2 29 34 A A H <> S+ 0 0 2 -3,-0.8 4,-1.6 -4,-0.4 -1,-0.2 0.782 99.0 58.0 -59.1 -30.9 -1.5 2.9 28.3 30 35 A L H <> S+ 0 0 47 -3,-1.2 4,-2.1 -4,-0.5 -1,-0.2 0.978 110.5 35.7 -67.5 -59.7 -2.5 6.1 30.0 31 36 A E H X S+ 0 0 93 -4,-1.0 4,-3.1 1,-0.2 5,-0.2 0.928 117.0 54.1 -67.2 -41.8 -2.2 5.2 33.7 32 37 A A H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.871 108.4 49.2 -57.4 -41.2 0.8 2.9 33.1 33 38 A T H X S+ 0 0 0 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.932 112.0 48.7 -67.5 -40.4 2.8 5.7 31.4 34 39 A K H X S+ 0 0 50 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.961 110.9 51.3 -59.8 -50.2 1.9 8.0 34.3 35 40 A L H X S+ 0 0 17 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.880 108.4 52.6 -51.6 -43.0 3.0 5.3 36.8 36 41 A A H X>S+ 0 0 0 -4,-2.2 5,-2.9 2,-0.2 4,-1.2 0.936 108.6 47.4 -63.8 -49.0 6.3 4.9 35.0 37 42 A I H <5S+ 0 0 1 -4,-2.1 3,-0.4 3,-0.2 -1,-0.2 0.928 113.0 50.2 -55.2 -48.6 7.3 8.6 35.0 38 43 A E H <5S+ 0 0 101 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.895 109.2 50.8 -54.7 -48.6 6.4 8.7 38.8 39 44 A A H <5S- 0 0 22 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.707 132.6 -93.9 -63.2 -24.9 8.5 5.6 39.5 40 45 A G T <5S+ 0 0 35 -4,-1.2 -3,-0.2 -3,-0.4 2,-0.2 0.490 72.5 146.4 127.2 2.2 11.3 7.4 37.6 41 46 A F < + 0 0 4 -5,-2.9 -1,-0.3 -6,-0.2 3,-0.1 -0.528 11.9 169.3 -69.0 139.4 11.3 6.3 34.0 42 47 A R + 0 0 81 -28,-0.5 33,-3.7 -2,-0.2 2,-0.7 0.552 60.2 67.4-122.2 -23.1 12.4 9.2 31.7 43 48 A H E -cd 15 75B 1 -29,-0.7 -27,-3.2 31,-0.2 2,-0.3 -0.868 64.8-178.7-107.6 102.6 12.8 7.4 28.4 44 49 A I E -cd 16 76B 0 31,-1.8 33,-2.4 -2,-0.7 2,-0.4 -0.779 12.6-149.5-102.5 144.7 9.5 6.2 27.0 45 50 A D E + d 0 77B 3 -29,-2.5 -27,-0.5 -2,-0.3 2,-0.3 -0.922 28.3 143.0-116.6 138.5 9.1 4.2 23.7 46 51 A S - 0 0 0 31,-1.4 2,-0.3 -2,-0.4 3,-0.1 -0.947 18.7-170.3-159.7 170.9 6.1 4.3 21.4 47 52 A A > > - 0 0 0 -2,-0.3 3,-1.1 31,-0.3 5,-0.5 -0.979 43.3 -96.2-164.6 163.2 5.3 4.2 17.7 48 53 A H G > 5S+ 0 0 41 31,-1.6 3,-1.4 -2,-0.3 5,-0.2 0.860 117.2 64.2 -55.1 -37.3 2.4 4.7 15.3 49 54 A L G 3 5S+ 0 0 49 30,-0.3 -1,-0.3 1,-0.2 74,-0.1 0.831 89.8 64.7 -52.8 -40.5 1.9 0.9 15.3 50 55 A Y G < 5S- 0 0 37 -3,-1.1 -1,-0.2 1,-0.1 -30,-0.2 0.485 90.4-139.8 -73.0 -8.7 0.9 0.7 18.9 51 56 A N T < 5S+ 0 0 124 -3,-1.4 -1,-0.1 -4,-0.3 4,-0.1 0.742 81.1 96.6 59.7 23.6 -2.3 2.7 18.6 52 57 A N >< + 0 0 6 -5,-0.5 4,-2.6 2,-0.1 3,-0.4 0.363 36.7 109.4-122.6 -6.8 -1.4 4.3 21.9 53 58 A E H > S+ 0 0 5 -6,-0.3 4,-1.8 1,-0.2 5,-0.1 0.818 81.6 51.9 -43.6 -37.3 0.3 7.5 20.9 54 59 A E H > S+ 0 0 93 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.914 112.1 43.8 -70.2 -44.5 -2.6 9.6 22.1 55 60 A Q H > S+ 0 0 16 -3,-0.4 4,-3.0 2,-0.2 -2,-0.2 0.934 114.6 48.2 -66.8 -48.1 -2.7 8.0 25.6 56 61 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.887 112.1 51.2 -59.1 -39.8 1.1 8.1 26.1 57 62 A G H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.4 5,-0.2 0.930 109.1 49.9 -64.3 -45.8 1.0 11.7 25.0 58 63 A L H X S+ 0 0 68 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.958 112.3 49.3 -54.0 -53.5 -1.8 12.5 27.5 59 64 A A H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.905 112.0 45.9 -52.4 -51.6 0.2 10.8 30.2 60 65 A I H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.869 113.4 48.6 -63.9 -37.6 3.5 12.7 29.5 61 66 A R H X S+ 0 0 58 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.890 107.8 55.1 -78.5 -34.2 1.8 16.1 29.2 62 67 A S H X S+ 0 0 53 -4,-2.5 4,-2.8 -5,-0.2 6,-0.2 0.899 108.7 49.2 -52.5 -46.5 -0.1 15.5 32.5 63 68 A K H <>S+ 0 0 13 -4,-1.9 6,-1.8 1,-0.2 5,-0.7 0.785 112.8 46.8 -70.0 -30.1 3.3 14.8 34.2 64 69 A I H <5S+ 0 0 51 -4,-1.5 3,-0.3 4,-0.2 -2,-0.2 0.832 114.2 47.4 -74.2 -38.6 4.8 18.0 32.6 65 70 A A H <5S+ 0 0 91 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.910 108.2 53.3 -72.4 -41.5 1.7 20.1 33.6 66 71 A D T <5S- 0 0 78 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.642 116.0-119.3 -65.3 -13.7 1.6 18.8 37.2 67 72 A G T 5S+ 0 0 57 2,-0.3 -3,-0.2 -3,-0.3 -4,-0.1 0.370 80.0 123.1 89.2 -4.4 5.3 19.9 37.4 68 73 A S S - 0 0 146 -2,-0.3 3,-1.6 1,-0.1 4,-0.4 -0.702 36.8-108.8-100.2 156.8 9.9 19.2 32.3 71 76 A R G > S+ 0 0 29 1,-0.3 3,-1.4 -2,-0.3 -1,-0.1 0.848 119.9 58.4 -57.1 -38.5 9.8 18.2 28.6 72 77 A E G 3 S+ 0 0 145 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.666 99.4 59.7 -63.0 -21.1 13.6 18.2 28.4 73 78 A D G < S+ 0 0 73 -3,-1.6 2,-0.4 2,-0.0 -1,-0.3 0.557 95.4 76.4 -81.1 -14.0 13.6 15.6 31.2 74 79 A I < - 0 0 2 -3,-1.4 2,-0.6 -4,-0.4 -31,-0.2 -0.856 64.1-159.4-103.4 133.9 11.6 13.1 29.1 75 80 A F E -d 43 0B 11 -33,-3.7 -31,-1.8 -2,-0.4 2,-0.5 -0.937 18.6-173.4-112.0 106.5 13.1 11.1 26.2 76 81 A Y E -d 44 0B 0 -2,-0.6 31,-1.8 -33,-0.2 32,-1.5 -0.892 6.9-161.1-110.5 125.4 10.3 10.1 23.9 77 82 A T E -de 45 108B 0 -33,-2.4 -31,-1.4 -2,-0.5 2,-0.3 -0.843 8.1-178.6-104.0 140.5 10.7 7.7 20.9 78 83 A S E - e 0 109B 0 30,-2.8 32,-1.9 -2,-0.4 2,-0.4 -0.861 13.9-142.0-126.9 164.5 8.4 7.3 18.0 79 84 A K E - e 0 110B 0 -2,-0.3 -31,-1.6 30,-0.2 2,-0.5 -0.997 13.2-127.3-138.0 138.1 8.6 4.9 14.9 80 85 A L E - e 0 111B 0 30,-3.7 32,-2.1 -2,-0.4 33,-0.4 -0.652 35.1-132.8 -81.3 123.0 7.7 5.3 11.3 81 86 A W > - 0 0 20 -2,-0.5 3,-2.3 30,-0.1 4,-0.1 -0.350 20.6-105.7 -84.1 155.4 5.4 2.4 10.3 82 87 A C G > S+ 0 0 0 1,-0.3 35,-2.5 2,-0.2 3,-0.7 0.657 115.4 65.6 -45.6 -23.8 5.9 0.2 7.2 83 88 A N G 3 S+ 0 0 11 1,-0.2 -1,-0.3 33,-0.2 37,-0.3 0.603 103.1 47.8 -82.9 -6.7 3.0 1.9 5.4 84 89 A S G < + 0 0 19 -3,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.144 68.5 113.5-123.0 23.1 4.9 5.3 5.2 85 90 A H < + 0 0 1 -3,-0.7 5,-0.2 32,-0.2 -1,-0.1 0.816 49.3 106.4 -52.8 -36.3 8.4 4.2 4.0 86 91 A R S >> S- 0 0 100 -3,-0.2 3,-2.5 1,-0.1 4,-0.9 -0.299 82.6-122.7 -56.6 130.1 7.7 6.2 0.7 87 92 A P H >> S+ 0 0 53 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.799 109.4 48.7 -43.6 -45.8 9.9 9.4 1.0 88 93 A E H 34 S+ 0 0 123 1,-0.2 -2,-0.1 2,-0.1 -3,-0.1 0.642 109.5 54.5 -75.7 -10.9 7.0 11.8 0.6 89 94 A L H <> S+ 0 0 45 -3,-2.5 4,-1.8 2,-0.1 -1,-0.2 0.565 88.5 80.3 -93.1 -18.1 4.9 10.0 3.3 90 95 A V H S+ 0 0 70 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.917 109.2 51.6 -57.9 -38.6 3.3 13.4 7.3 93 98 A A H X S+ 0 0 15 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.940 112.5 44.5 -61.2 -46.1 3.6 10.2 9.4 94 99 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.926 113.1 51.4 -63.4 -43.3 5.8 11.9 11.9 95 100 A E H X S+ 0 0 89 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.851 107.8 53.0 -65.6 -35.2 3.6 14.9 11.9 96 101 A R H X S+ 0 0 95 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.901 107.7 50.3 -64.8 -46.6 0.5 12.7 12.6 97 102 A S H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.912 110.8 51.3 -52.0 -43.6 2.2 11.1 15.5 98 103 A L H X>S+ 0 0 13 -4,-2.2 5,-1.8 1,-0.2 4,-1.4 0.877 108.0 49.7 -65.1 -37.2 3.0 14.5 16.8 99 104 A K H <5S+ 0 0 134 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.833 112.8 48.3 -68.7 -34.2 -0.6 15.7 16.5 100 105 A N H <5S+ 0 0 62 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.875 115.9 43.1 -72.1 -41.2 -1.8 12.6 18.3 101 106 A L H <5S- 0 0 0 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.684 101.3-135.0 -71.6 -25.7 0.8 13.1 21.1 102 107 A Q T <5 + 0 0 118 -4,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.953 64.3 124.0 61.4 50.5 0.1 16.8 21.3 103 108 A L < - 0 0 17 -5,-1.8 -1,-0.3 -6,-0.1 -2,-0.1 -0.933 64.6-136.1-135.3 153.9 3.9 17.5 21.4 104 109 A D S S+ 0 0 146 -2,-0.3 2,-0.3 1,-0.2 -6,-0.1 0.682 83.5 6.8 -89.1 -16.2 6.0 19.6 19.0 105 110 A Y - 0 0 44 -7,-0.1 2,-0.3 50,-0.0 -1,-0.2 -0.984 61.8-131.4-162.6 150.6 8.9 17.1 18.7 106 111 A V E - f 0 155B 0 48,-2.1 50,-2.3 -2,-0.3 51,-0.2 -0.741 18.4-136.6 -98.3 151.5 10.0 13.6 19.5 107 112 A D E S+ 0 0 16 -31,-1.8 50,-2.2 -2,-0.3 2,-0.3 0.849 88.8 15.9 -73.9 -27.1 13.4 12.9 20.9 108 113 A L E -ef 77 157B 3 -32,-1.5 -30,-2.8 48,-0.2 2,-0.4 -0.998 61.1-166.8-151.3 135.7 13.9 9.9 18.6 109 114 A Y E -ef 78 158B 1 48,-1.6 50,-2.2 -2,-0.3 2,-0.3 -0.996 14.4-169.2-132.9 125.3 12.4 8.6 15.4 110 115 A L E -ef 79 159B 0 -32,-1.9 -30,-3.7 -2,-0.4 2,-0.7 -0.868 32.8-120.7-117.2 143.6 13.0 5.2 14.0 111 116 A I E -ef 80 160B 0 48,-1.6 50,-0.8 -2,-0.3 -30,-0.1 -0.775 36.5-151.3 -72.0 118.4 12.3 3.3 10.8 112 117 A H - 0 0 16 -32,-2.1 -1,-0.2 -2,-0.7 -31,-0.1 0.857 65.0 -5.3 -75.4 -34.4 10.3 0.6 12.5 113 118 A F - 0 0 5 -33,-0.4 -1,-0.2 -3,-0.1 49,-0.1 -0.978 62.9-127.2-162.7 137.8 10.9 -2.4 10.2 114 119 A P S S+ 0 0 0 0, 0.0 2,-0.5 0, 0.0 198,-0.1 0.596 85.0 86.2 -78.0 -4.9 12.8 -2.6 7.0 115 120 A V S S- 0 0 2 196,-0.1 2,-0.2 195,-0.1 21,-0.1 -0.825 70.9-145.2 -92.6 125.7 10.0 -4.3 4.9 116 121 A S - 0 0 2 -2,-0.5 19,-1.8 19,-0.4 2,-0.3 -0.518 11.7-160.8 -90.4 155.3 7.5 -1.7 3.4 117 122 A V B -J 134 0C 0 -35,-2.5 17,-0.3 17,-0.3 -32,-0.2 -0.857 38.0 -66.6-129.8 169.6 3.8 -2.3 2.9 118 123 A K - 0 0 113 15,-2.8 17,-0.1 -2,-0.3 15,-0.1 -0.255 58.7-109.5 -57.5 133.0 1.0 -0.7 0.8 119 124 A P S S+ 0 0 42 0, 0.0 2,-0.2 0, 0.0 -35,-0.1 -0.263 72.3 83.9 -63.6 149.7 0.3 2.9 1.7 120 125 A G S S- 0 0 45 -37,-0.3 -37,-0.1 1,-0.1 -3,-0.1 -0.835 90.5 -64.2 143.3-179.7 -3.0 3.6 3.5 121 126 A E S S+ 0 0 131 -2,-0.2 2,-0.3 3,-0.0 -1,-0.1 0.817 100.2 93.3 -70.9 -31.9 -4.7 3.5 6.9 122 127 A E - 0 0 109 1,-0.2 0, 0.0 -3,-0.1 0, 0.0 -0.446 64.1-154.2 -72.1 124.3 -4.3 -0.2 7.4 123 128 A V S S+ 0 0 40 -2,-0.3 -1,-0.2 1,-0.3 -41,-0.1 0.827 94.6 25.6 -65.7 -32.1 -1.1 -1.1 9.3 124 129 A I S S- 0 0 28 -42,-0.0 -1,-0.3 -7,-0.0 2,-0.2 -0.759 87.9-160.4-131.4 86.9 -1.0 -4.6 7.7 125 130 A P - 0 0 15 0, 0.0 8,-3.0 0, 0.0 2,-0.3 -0.502 9.7-170.8 -78.8 135.3 -2.9 -4.3 4.4 126 131 A K B -K 132 0D 124 6,-0.3 6,-0.2 -2,-0.2 -4,-0.0 -0.911 21.1-121.0-122.6 147.6 -4.2 -7.5 2.9 127 132 A D > - 0 0 53 4,-3.4 3,-2.1 -2,-0.3 -1,-0.1 -0.152 51.5 -84.2 -69.1 178.2 -5.8 -8.5 -0.4 128 133 A E T 3 S+ 0 0 186 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.530 132.6 53.2 -67.7 -7.0 -9.3 -10.1 -0.5 129 134 A N T 3 S- 0 0 131 2,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.292 123.5-102.8-105.1 4.4 -7.7 -13.5 0.2 130 135 A G S < S+ 0 0 42 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.578 73.3 144.4 87.5 11.1 -5.8 -12.3 3.3 131 136 A K - 0 0 141 1,-0.1 -4,-3.4 2,-0.0 -1,-0.3 -0.662 55.2-107.5 -86.9 135.4 -2.5 -12.1 1.5 132 137 A I B -K 126 0D 26 -2,-0.3 2,-1.3 -6,-0.2 -6,-0.3 -0.410 20.8-137.0 -67.3 131.7 -0.2 -9.2 2.6 133 138 A L - 0 0 55 -8,-3.0 -15,-2.8 -2,-0.2 -1,-0.1 -0.680 27.5-169.8 -92.2 94.6 0.2 -6.3 0.3 134 139 A F B -J 117 0C 68 -2,-1.3 -17,-0.3 -17,-0.3 2,-0.3 -0.318 7.6-145.0 -79.4 163.0 4.0 -5.4 0.3 135 140 A D - 0 0 31 -19,-1.8 2,-0.6 -53,-0.1 -19,-0.4 -0.812 10.8-128.9-126.3 161.7 5.5 -2.3 -1.2 136 141 A T + 0 0 139 -2,-0.3 2,-0.4 -21,-0.1 -21,-0.1 -0.956 40.9 156.0-118.9 107.2 8.8 -1.8 -2.9 137 142 A V - 0 0 21 -2,-0.6 2,-0.5 -51,-0.1 -21,-0.2 -0.993 45.5-118.9-134.6 137.5 10.7 1.3 -1.5 138 143 A D >> - 0 0 104 -2,-0.4 4,-1.9 1,-0.1 3,-0.6 -0.691 19.2-151.5 -71.4 116.5 14.4 2.1 -1.4 139 144 A L H 3> S+ 0 0 2 -2,-0.5 4,-3.1 1,-0.2 -1,-0.1 0.793 96.0 62.3 -64.3 -29.4 15.3 2.3 2.3 140 145 A C H 3> S+ 0 0 15 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.851 105.4 46.7 -58.3 -40.0 18.1 4.9 1.4 141 146 A A H <> S+ 0 0 25 -3,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.886 111.0 51.6 -68.8 -42.3 15.3 7.1 0.1 142 147 A T H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 3,-0.4 0.961 110.3 49.8 -57.5 -47.0 13.3 6.5 3.3 143 148 A W H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.880 105.1 55.4 -60.7 -40.0 16.4 7.4 5.3 144 149 A E H X S+ 0 0 75 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.870 109.5 48.1 -66.1 -32.5 17.0 10.7 3.5 145 150 A A H X S+ 0 0 15 -4,-1.8 4,-1.0 -3,-0.4 -1,-0.2 0.872 108.9 53.3 -71.9 -35.4 13.4 11.7 4.3 146 151 A V H >X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 3,-0.6 0.914 105.7 55.2 -61.2 -41.2 14.0 10.7 7.9 147 152 A E H >X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 3,-0.8 0.900 101.9 55.7 -55.2 -44.9 17.1 13.0 7.8 148 153 A K H 3X S+ 0 0 113 -4,-1.6 4,-2.1 1,-0.3 -1,-0.2 0.761 101.0 59.4 -63.6 -22.9 14.9 16.0 6.7 149 154 A C H <<>S+ 0 0 0 -4,-1.0 5,-1.7 -3,-0.6 6,-1.3 0.845 107.2 46.5 -71.1 -31.7 12.8 15.4 9.8 150 155 A K H X<5S+ 0 0 38 -4,-1.0 3,-1.4 -3,-0.8 -2,-0.2 0.930 111.5 50.4 -74.4 -45.6 15.9 16.0 11.9 151 156 A D H 3<5S+ 0 0 76 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.857 109.2 52.6 -55.7 -39.2 16.8 19.1 9.8 152 157 A A T 3<5S- 0 0 46 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.571 113.7-120.7 -73.3 -11.6 13.3 20.4 10.4 153 158 A G T < 5S+ 0 0 44 -3,-1.4 -3,-0.2 -4,-0.3 3,-0.1 0.528 81.7 118.7 85.4 5.3 13.7 19.9 14.2 154 159 A L S - 0 0 5 -2,-0.4 4,-2.7 -3,-0.1 5,-0.2 -0.381 35.0 -91.0 -92.7 178.6 20.6 -6.4 10.1 165 170 A R H > S+ 0 0 87 153,-2.1 4,-2.6 1,-0.2 5,-0.2 0.925 126.4 52.6 -57.5 -44.1 24.3 -5.8 9.4 166 171 A R H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.937 112.3 45.2 -55.1 -48.9 23.7 -5.7 5.6 167 172 A Q H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.858 110.7 52.3 -68.1 -37.9 21.0 -3.0 6.0 168 173 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.937 111.3 49.5 -58.6 -45.6 23.0 -0.9 8.5 169 174 A E H X S+ 0 0 50 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.897 105.4 56.1 -64.2 -40.8 25.9 -1.0 6.0 170 175 A M H < S+ 0 0 63 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.917 113.0 41.1 -57.7 -42.3 23.6 0.1 3.1 171 176 A I H >< S+ 0 0 0 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.971 115.4 50.7 -67.1 -52.1 22.6 3.2 5.1 172 177 A L H 3< S+ 0 0 27 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.788 115.4 42.3 -52.6 -33.5 26.2 3.9 6.4 173 178 A N T 3< S+ 0 0 118 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.264 84.1 129.0-103.5 9.6 27.6 3.7 2.9 174 179 A K S X S- 0 0 16 -3,-1.7 3,-1.7 -4,-0.2 -3,-0.1 -0.451 71.0-101.2 -67.1 130.9 24.8 5.7 1.1 175 180 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.323 103.5 3.6 -52.2 125.6 26.1 8.5 -1.1 176 181 A G T 3 S+ 0 0 68 1,-0.2 -3,-0.1 -3,-0.1 -2,-0.0 0.635 81.8 178.2 76.7 17.3 25.7 11.8 0.7 177 182 A L < - 0 0 49 -3,-1.7 -1,-0.2 1,-0.1 3,-0.1 -0.177 12.1-168.3 -52.0 139.7 24.4 10.5 4.0 178 183 A K + 0 0 98 1,-0.3 2,-0.4 0, 0.0 -1,-0.1 0.816 67.7 16.4 -97.5 -41.4 23.9 13.3 6.5 179 184 A Y - 0 0 72 -172,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.993 69.8-134.9-139.6 120.6 23.3 11.5 9.8 180 185 A K - 0 0 73 -2,-0.4 -22,-0.3 -174,-0.1 -174,-0.0 -0.444 44.7 -88.9 -65.5 154.7 24.1 8.0 10.8 181 186 A P - 0 0 0 0, 0.0 -22,-0.3 0, 0.0 -1,-0.1 -0.437 30.8-146.7 -59.2 136.5 21.4 6.1 12.7 182 187 A V S S+ 0 0 3 -24,-2.7 25,-2.1 1,-0.1 2,-0.3 0.639 74.8 5.1 -75.1 -18.1 22.0 6.8 16.4 183 188 A C E - h 0 207B 0 23,-0.2 -23,-2.9 -25,-0.2 2,-0.4 -0.984 52.7-139.7-161.2 159.5 20.6 3.3 17.3 184 189 A N E -gh 160 208B 0 23,-2.4 25,-1.8 -2,-0.3 2,-0.7 -0.962 24.1-156.2-126.9 109.3 19.4 -0.1 16.2 185 190 A Q E +gh 161 209B 6 -25,-2.3 -23,-1.7 -2,-0.4 2,-0.3 -0.806 31.6 149.7 -93.5 118.2 16.5 -1.2 18.3 186 191 A V E - h 0 210B 3 23,-2.0 25,-3.0 -2,-0.7 2,-0.3 -0.904 52.4 -74.0-142.9 162.8 16.3 -5.0 18.2 187 192 A E E + h 0 211B 0 -2,-0.3 2,-0.3 23,-0.2 25,-0.2 -0.427 58.5 161.7 -59.2 122.9 15.2 -8.0 20.2 188 193 A C + 0 0 0 23,-2.4 5,-0.2 -2,-0.3 27,-0.1 -0.918 7.9 119.0-155.4 128.5 17.8 -8.8 22.9 189 194 A H B > S-L 192 0E 0 3,-0.9 3,-0.8 -2,-0.3 25,-0.1 -0.890 74.5 -65.9-163.8-172.0 17.8 -10.8 26.2 190 195 A P T 3 S+ 0 0 0 0, 0.0 3,-0.3 0, 0.0 23,-0.0 0.687 128.7 50.4 -64.2 -23.3 19.7 -13.7 27.7 191 196 A Y T 3 S+ 0 0 8 1,-0.3 105,-1.8 104,-0.2 107,-1.2 0.730 126.1 24.8 -86.9 -25.6 18.3 -16.3 25.2 192 197 A F B < S+L 189 0E 17 -3,-0.8 -3,-0.9 105,-0.2 -1,-0.3 -0.656 73.3 169.7-139.2 81.0 19.2 -14.2 22.2 193 198 A N - 0 0 14 -3,-0.3 5,-0.1 -2,-0.2 -1,-0.1 0.519 30.7-143.1 -85.6 -4.6 22.0 -12.0 23.2 194 199 A Q > + 0 0 20 1,-0.1 4,-2.4 3,-0.1 5,-0.2 0.848 35.1 162.9 46.8 48.3 23.0 -10.6 19.8 195 200 A R H > S+ 0 0 90 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.956 73.8 47.6 -54.8 -54.2 26.8 -10.5 20.5 196 201 A K H > S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.938 116.1 43.3 -55.6 -51.9 27.7 -10.2 16.8 197 202 A L H > S+ 0 0 6 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.865 112.3 52.8 -62.6 -37.7 25.2 -7.5 16.1 198 203 A L H X S+ 0 0 11 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.921 111.3 47.4 -64.1 -46.3 26.1 -5.6 19.3 199 204 A D H X S+ 0 0 76 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.937 112.5 49.3 -54.5 -50.5 29.8 -5.7 18.3 200 205 A F H X S+ 0 0 9 -4,-2.5 4,-1.0 -5,-0.2 -2,-0.2 0.941 112.1 47.2 -56.8 -48.9 29.0 -4.5 14.8 201 206 A C H ><>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 3,-1.3 0.960 111.8 51.5 -60.1 -48.9 26.8 -1.6 16.1 202 207 A K H ><5S+ 0 0 165 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.914 104.1 57.1 -51.1 -47.8 29.5 -0.6 18.6 203 208 A S H 3<5S+ 0 0 81 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.721 111.5 43.8 -57.6 -23.1 32.2 -0.5 15.8 204 209 A K T <<5S- 0 0 64 -3,-1.3 -1,-0.3 -4,-1.0 -2,-0.2 0.161 118.9-104.0-109.6 16.9 30.1 2.0 13.9 205 210 A D T < 5S+ 0 0 95 -3,-1.8 2,-0.5 1,-0.2 -199,-0.4 0.858 77.2 137.3 60.8 37.1 29.1 4.3 16.8 206 211 A I < - 0 0 6 -5,-2.6 2,-0.3 -6,-0.2 -23,-0.2 -0.960 50.0-133.1-113.6 126.3 25.5 2.9 16.9 207 212 A V E -h 183 0B 22 -25,-2.1 -23,-2.4 -2,-0.5 2,-0.7 -0.557 14.1-134.4 -71.6 138.7 23.7 2.1 20.3 208 213 A L E -h 184 0B 2 51,-0.4 53,-2.2 -2,-0.3 2,-0.7 -0.842 17.6-163.0 -95.2 112.9 22.0 -1.3 20.6 209 214 A V E -hi 185 261B 2 -25,-1.8 -23,-2.0 -2,-0.7 2,-0.6 -0.870 14.0-142.2 -99.0 111.9 18.5 -0.8 22.1 210 215 A A E -hi 186 262B 0 51,-2.7 53,-2.1 -2,-0.7 3,-0.4 -0.647 17.6-170.5 -85.4 116.3 17.2 -4.1 23.4 211 216 A Y E +h 187 0B 20 -25,-3.0 -23,-2.4 -2,-0.6 4,-0.1 -0.595 69.7 24.1 -97.1 165.9 13.6 -4.9 23.0 212 217 A S S > S+ 0 0 25 -2,-0.2 3,-1.5 -25,-0.2 -1,-0.2 0.861 75.0 157.8 44.3 43.5 11.6 -7.8 24.5 213 218 A A T 3 + 0 0 3 -3,-0.4 -1,-0.1 50,-0.3 -2,-0.1 0.683 66.4 53.9 -67.9 -19.2 14.4 -7.8 27.1 214 219 A L T 3 S- 0 0 36 -25,-0.1 17,-0.3 -24,-0.0 -1,-0.3 0.206 136.1 -82.8-101.7 15.6 12.2 -9.6 29.6 215 220 A G S < S- 0 0 3 -3,-1.5 15,-0.2 15,-0.1 -2,-0.2 0.552 76.3 -86.8 96.7 8.7 11.4 -12.4 27.2 216 221 A S - 0 0 24 1,-0.2 14,-0.0 2,-0.1 7,-0.0 0.154 44.2 -74.9 84.2 164.6 8.6 -10.5 25.3 217 222 A H - 0 0 66 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.674 54.7-139.8 -67.8 -21.3 4.8 -10.1 25.7 218 223 A R + 0 0 64 1,-0.2 2,-0.2 -3,-0.1 -2,-0.1 0.747 40.1 167.9 63.4 24.3 4.4 -13.6 24.4 219 224 A E >> - 0 0 28 2,-0.1 4,-1.7 3,-0.1 3,-0.7 -0.463 33.2 -82.2 -71.0 139.9 1.3 -12.4 22.5 220 225 A E T 34 S+ 0 0 123 1,-0.3 4,-0.1 2,-0.2 -1,-0.1 -0.702 98.9 2.7 -98.5 149.9 -0.0 -14.8 19.9 221 226 A P T 34 S+ 0 0 124 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.820 118.4 70.2-102.1 39.3 0.5 -15.6 17.2 222 227 A W T <4 S+ 0 0 84 -3,-0.7 80,-0.6 1,-0.2 81,-0.5 0.794 107.6 36.7 -75.7 -30.0 3.5 -13.3 17.1 223 228 A V S < S- 0 0 2 -4,-1.7 -1,-0.2 78,-0.1 78,-0.1 -0.982 94.0-111.2-129.9 122.8 5.5 -15.5 19.5 224 229 A D > - 0 0 90 -2,-0.4 3,-1.7 76,-0.4 -2,-0.0 -0.243 19.2-144.5 -51.0 123.9 5.4 -19.3 19.6 225 230 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.2 0, 0.0 -5,-0.0 0.666 96.6 64.1 -68.2 -12.7 3.7 -20.3 22.8 226 231 A N T 3 S+ 0 0 138 2,-0.0 -2,-0.1 3,-0.0 3,-0.1 0.413 76.8 111.2 -89.6 0.3 6.0 -23.3 23.0 227 232 A S S < S- 0 0 19 -3,-1.7 -4,-0.0 1,-0.1 73,-0.0 -0.480 82.9 -93.3 -71.5 151.8 9.1 -21.2 23.4 228 233 A P - 0 0 38 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.286 40.0-115.1 -59.3 150.2 10.9 -21.4 26.7 229 234 A V > - 0 0 51 1,-0.2 3,-1.9 -3,-0.1 4,-0.2 -0.782 19.7-151.1 -92.7 115.6 9.8 -18.6 29.1 230 235 A L G > S+ 0 0 1 -2,-0.7 3,-1.6 1,-0.3 6,-0.2 0.864 92.0 54.9 -56.7 -38.9 12.8 -16.4 29.8 231 236 A L G 3 S+ 0 0 61 -17,-0.3 -1,-0.3 1,-0.3 17,-0.1 0.572 99.7 60.4 -81.0 -4.1 11.7 -15.3 33.3 232 237 A E G < S+ 0 0 149 -3,-1.9 -1,-0.3 15,-0.1 -2,-0.2 0.342 74.8 134.1 -94.5 6.3 11.5 -19.0 34.5 233 238 A D <> - 0 0 11 -3,-1.6 4,-2.0 -4,-0.2 5,-0.2 -0.355 56.0-140.9 -62.9 124.4 15.1 -19.5 33.7 234 239 A P H > S+ 0 0 97 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.826 99.4 49.4 -56.2 -35.1 16.8 -21.2 36.7 235 240 A V H > S+ 0 0 54 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.896 110.6 48.8 -75.2 -39.8 20.0 -19.2 36.5 236 241 A L H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.874 113.1 50.2 -63.8 -33.9 18.2 -15.9 36.4 237 242 A C H X S+ 0 0 42 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.892 111.3 46.5 -69.6 -43.1 16.1 -17.1 39.4 238 243 A A H X S+ 0 0 60 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.955 114.1 48.7 -63.8 -47.4 19.3 -18.2 41.4 239 244 A L H X S+ 0 0 16 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.876 110.1 52.9 -57.5 -41.3 20.9 -14.8 40.5 240 245 A A H ><>S+ 0 0 4 -4,-1.9 5,-2.6 -5,-0.2 3,-0.5 0.945 111.0 45.2 -58.9 -53.6 17.7 -13.0 41.6 241 246 A K H ><5S+ 0 0 145 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.898 109.9 55.0 -55.9 -46.8 17.6 -14.8 45.1 242 247 A K H 3<5S+ 0 0 155 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.757 116.4 37.5 -59.4 -26.5 21.4 -14.2 45.7 243 248 A H T <<5S- 0 0 36 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.228 112.9-111.7-113.4 12.5 20.9 -10.4 45.1 244 249 A K T < 5S+ 0 0 180 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.949 85.0 91.0 55.3 55.1 17.5 -10.0 46.8 245 250 A R S - 0 0 43 -2,-0.3 4,-1.6 -3,-0.1 -9,-0.0 -0.575 33.8-107.5-105.6 168.6 13.8 -10.8 40.7 247 252 A P H > S+ 0 0 31 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.832 117.1 58.2 -60.9 -37.2 14.7 -12.5 37.4 248 253 A A H > S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.945 106.0 48.9 -58.5 -47.7 13.4 -9.5 35.4 249 254 A L H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.837 108.9 53.8 -63.5 -33.2 15.9 -7.2 37.2 250 255 A I H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.905 109.3 46.9 -63.7 -44.0 18.7 -9.6 36.5 251 256 A A H X S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.891 114.2 49.1 -67.0 -35.6 17.9 -9.6 32.7 252 257 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 3,-0.4 0.946 110.7 48.4 -67.7 -48.4 17.7 -5.8 32.7 253 258 A R H X S+ 0 0 40 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.877 103.9 62.0 -59.5 -42.9 21.0 -5.3 34.6 254 259 A Y H X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.905 106.1 45.7 -46.2 -44.5 22.8 -7.7 32.2 255 260 A Q H ><>S+ 0 0 0 -4,-1.2 5,-2.4 -3,-0.4 3,-0.6 0.936 109.9 53.1 -72.6 -44.9 22.0 -5.4 29.3 256 261 A L H ><5S+ 0 0 29 -4,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.858 109.2 50.2 -56.4 -35.6 23.1 -2.2 31.1 257 262 A Q H 3<5S+ 0 0 64 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.777 107.1 53.8 -81.4 -17.0 26.5 -3.8 32.0 258 263 A R T <<5S- 0 0 26 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.163 124.0 -95.4-101.1 17.5 27.3 -4.9 28.4 259 264 A G T < 5S+ 0 0 61 -3,-0.8 -51,-0.4 1,-0.3 2,-0.3 0.629 81.5 135.2 88.0 11.6 26.8 -1.5 26.9 260 265 A V < - 0 0 3 -5,-2.4 2,-0.5 -6,-0.2 -1,-0.3 -0.698 53.8-133.7 -98.4 140.8 23.1 -2.0 25.8 261 266 A V E - i 0 209B 3 -53,-2.2 -51,-2.7 -2,-0.3 2,-0.5 -0.851 34.6-150.7 -88.6 129.6 20.3 0.5 26.2 262 267 A V E -bi 14 210B 0 -249,-2.9 -247,-2.8 -2,-0.5 2,-0.2 -0.877 15.1-156.4-117.9 132.2 17.4 -1.6 27.6 263 268 A L E -b 15 0B 10 -53,-2.1 -50,-0.3 -2,-0.5 2,-0.3 -0.624 7.8-172.7 -90.7 153.2 13.6 -1.3 27.4 264 269 A A E -b 16 0B 2 -249,-1.6 -247,-1.8 -2,-0.2 2,-0.5 -0.884 6.4-160.4-144.1 114.1 11.1 -2.8 29.9 265 270 A K E +b 17 0B 83 -2,-0.3 2,-0.3 -249,-0.2 -247,-0.1 -0.841 22.8 151.5 -89.6 134.3 7.3 -2.9 29.4 266 271 A S - 0 0 9 -249,-0.6 -230,-0.1 -2,-0.5 -2,-0.1 -0.916 29.2-174.1-152.2 138.4 4.9 -3.3 32.3 267 272 A Y + 0 0 48 -2,-0.3 2,-0.5 -232,-0.0 -235,-0.1 0.106 65.7 99.7-102.5 17.6 1.4 -2.1 32.9 268 273 A N > - 0 0 51 1,-0.1 4,-2.8 -236,-0.0 5,-0.2 -0.914 69.3-143.7-108.1 123.6 1.5 -3.5 36.5 269 274 A E H > S+ 0 0 90 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.859 99.8 49.3 -52.3 -44.0 2.1 -0.9 39.2 270 275 A Q H > S+ 0 0 133 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.943 114.8 44.8 -63.9 -42.3 4.2 -3.2 41.4 271 276 A R H > S+ 0 0 134 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.921 109.3 55.4 -72.3 -39.8 6.4 -4.3 38.4 272 277 A I H X S+ 0 0 0 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.931 110.8 44.4 -50.2 -53.9 6.8 -0.8 37.1 273 278 A R H < S+ 0 0 129 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.794 114.1 51.4 -67.6 -31.0 8.2 0.4 40.5 274 279 A Q H >< S+ 0 0 47 -4,-1.6 3,-2.2 -5,-0.2 -1,-0.2 0.908 100.1 62.6 -66.7 -47.9 10.4 -2.6 40.8 275 280 A N H >< S+ 0 0 5 -4,-2.8 3,-1.2 1,-0.3 -2,-0.2 0.790 94.1 60.6 -56.6 -33.2 12.0 -2.2 37.3 276 281 A V G >< S+ 0 0 31 -4,-1.0 3,-0.9 1,-0.2 -1,-0.3 0.557 85.8 79.7 -69.3 -8.0 13.6 1.1 38.0 277 282 A Q G X + 0 0 65 -3,-2.2 3,-2.5 1,-0.2 -1,-0.2 0.485 59.9 99.5 -80.1 0.4 15.6 -0.5 40.8 278 283 A V G X S+ 0 0 0 -3,-1.2 3,-0.7 1,-0.3 -1,-0.2 0.731 77.2 59.3 -57.0 -23.6 18.1 -1.9 38.2 279 284 A F G < S+ 0 0 89 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.1 0.567 90.7 73.3 -82.0 -7.6 20.4 0.9 39.1 280 285 A E G < S+ 0 0 113 -3,-2.5 2,-0.3 -4,-0.0 -1,-0.2 0.484 102.5 23.3 -88.6 -3.4 20.5 -0.2 42.7 281 286 A F < - 0 0 24 -3,-0.7 2,-0.3 -4,-0.2 -38,-0.0 -0.889 64.1-146.3-149.0 175.6 22.8 -3.3 42.3 282 287 A Q - 0 0 137 -2,-0.3 2,-0.3 -39,-0.0 -28,-0.1 -0.981 12.7-125.9-148.7 162.8 25.3 -4.9 40.0 283 288 A L - 0 0 4 -2,-0.3 2,-0.0 -30,-0.1 -2,-0.0 -0.851 26.9-124.9-105.7 145.6 26.6 -8.2 38.7 284 289 A T > - 0 0 78 -2,-0.3 4,-2.5 1,-0.1 3,-0.3 -0.283 32.8 -99.6 -78.3 172.4 30.2 -9.4 38.9 285 290 A S H > S+ 0 0 106 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.846 124.2 50.1 -52.0 -41.6 32.2 -10.5 35.9 286 291 A E H > S+ 0 0 139 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.761 108.9 51.8 -77.6 -22.9 31.6 -14.1 36.6 287 292 A E H > S+ 0 0 18 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.917 107.4 52.7 -80.7 -40.9 27.9 -13.5 36.9 288 293 A M H X S+ 0 0 24 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.919 109.7 49.9 -56.0 -42.3 27.9 -11.7 33.5 289 294 A K H X S+ 0 0 141 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.893 105.9 55.4 -65.4 -39.5 29.6 -14.8 32.0 290 295 A A H < S+ 0 0 45 -4,-1.6 4,-0.2 1,-0.2 -1,-0.2 0.894 110.5 46.4 -57.2 -41.5 27.0 -17.1 33.6 291 296 A I H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 4,-0.3 0.856 105.3 58.8 -70.8 -36.0 24.3 -15.0 31.8 292 297 A D H >< S+ 0 0 65 -4,-2.0 3,-1.2 1,-0.3 -1,-0.2 0.821 98.2 63.0 -59.2 -34.9 26.2 -15.1 28.6 293 298 A G T 3< S+ 0 0 65 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.610 87.2 71.9 -67.4 -14.6 26.0 -18.9 28.8 294 299 A L T < + 0 0 20 -3,-1.4 -1,-0.2 -4,-0.2 2,-0.2 0.624 65.7 124.5 -74.3 -16.7 22.2 -18.7 28.6 295 300 A N < + 0 0 75 -3,-1.2 -104,-0.2 -4,-0.3 -103,-0.2 -0.293 23.5 159.0 -55.9 114.3 22.2 -17.8 24.9 296 301 A R - 0 0 131 -105,-1.8 -104,-0.2 -2,-0.2 -1,-0.1 0.173 57.5-105.2-128.2 20.9 20.2 -20.3 22.9 297 302 A N + 0 0 129 -106,-1.0 2,-1.1 1,-0.2 -105,-0.2 0.789 63.7 154.3 65.1 29.2 19.1 -18.7 19.5 298 303 A V - 0 0 26 -107,-1.2 2,-0.7 -71,-0.0 -1,-0.2 -0.783 20.9-175.7 -93.6 100.5 15.6 -18.2 20.7 299 304 A R - 0 0 53 -2,-1.1 3,-0.3 1,-0.2 -111,-0.0 -0.887 2.8-172.8 -93.2 113.9 14.2 -15.3 18.7 300 305 A Y S S+ 0 0 5 -2,-0.7 2,-1.1 1,-0.2 -76,-0.4 0.903 76.6 48.1 -75.9 -44.3 10.7 -14.7 20.2 301 306 A L + 0 0 22 1,-0.2 -1,-0.2 -78,-0.1 -78,-0.1 -0.674 62.1 161.0 -99.0 82.4 9.5 -12.1 17.7 302 307 A T - 0 0 41 -2,-1.1 12,-0.2 -80,-0.6 -1,-0.2 0.715 29.9-155.7 -72.6 -21.9 10.3 -13.7 14.3 303 308 A L > + 0 0 25 -81,-0.5 3,-2.5 -3,-0.2 11,-0.1 0.830 33.5 158.6 47.5 37.3 7.9 -11.4 12.4 304 309 A D G > + 0 0 103 1,-0.3 3,-1.6 -82,-0.2 -1,-0.1 0.645 57.4 79.3 -73.4 -11.8 7.9 -14.2 9.8 305 310 A I G 3 S+ 0 0 80 1,-0.2 -1,-0.3 -83,-0.1 -173,-0.2 0.751 95.0 51.4 -54.8 -21.3 4.6 -13.0 8.5 306 311 A F G < S+ 0 0 9 -3,-2.5 -1,-0.2 -4,-0.1 -2,-0.2 0.126 84.7 112.7-105.3 16.8 7.0 -10.4 6.8 307 312 A A < + 0 0 44 -3,-1.6 4,-0.0 1,-0.2 -4,-0.0 -0.526 54.2 59.2 -85.8 157.1 9.3 -13.0 5.3 308 313 A G S S+ 0 0 74 1,-0.5 -1,-0.2 -2,-0.2 -2,-0.1 -0.644 80.6 94.8 118.9 -72.1 9.3 -13.3 1.5 309 314 A P S > S- 0 0 28 0, 0.0 3,-1.5 0, 0.0 -1,-0.5 -0.060 86.4-112.0 -56.8 155.6 10.3 -9.7 0.6 310 315 A P T 3 S+ 0 0 114 0, 0.0 -195,-0.1 0, 0.0 -2,-0.0 0.776 113.1 55.9 -59.3 -29.9 14.0 -8.9 -0.1 311 316 A N T 3 + 0 0 38 -197,-0.1 -196,-0.1 -195,-0.1 -144,-0.1 0.415 65.6 134.6 -90.3 4.1 14.3 -6.8 3.1 312 317 A Y X - 0 0 28 -3,-1.5 3,-0.6 1,-0.2 4,-0.3 -0.351 46.6-153.8 -49.6 118.8 13.2 -9.4 5.6 313 318 A P T 3 S+ 0 0 2 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.705 73.7 63.0 -79.1 -14.2 16.0 -8.8 8.2 314 319 A F T 3 S+ 0 0 31 1,-0.2 -2,-0.1 -12,-0.2 -7,-0.0 0.393 77.8 77.0-104.9 5.5 16.2 -12.2 10.0 315 320 A S S < S+ 0 0 98 -3,-0.6 -1,-0.2 3,-0.0 -3,-0.0 0.792 83.0 83.5 -76.3 -30.6 17.3 -14.7 7.3 316 321 A D S S- 0 0 54 -3,-0.4 0, 0.0 -4,-0.3 0, 0.0 -0.304 96.2-112.2 -68.5 163.5 20.9 -13.4 7.5 317 322 A E 0 0 148 1,-0.1 -1,-0.1 -121,-0.0 -121,-0.1 0.936 360.0 360.0 -66.0 -44.5 23.2 -14.7 10.3 318 323 A Y 0 0 55 -122,-0.1 -153,-2.1 -121,-0.0 -1,-0.1 0.173 360.0 360.0-159.1 360.0 23.1 -11.2 11.8