==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-SEP-04 1XF0 . COMPND 2 MOLECULE: ALDO-KETO REDUCTASE FAMILY 1 MEMBER C3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.QIU,M.ZHOU,F.LABRIE,S.-X.LIN . 316 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14244.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.2 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 . 17 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 27.8 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 1 0 0 1 2 1 1 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 2 2 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 5 A Q 0 0 197 0, 0.0 2,-0.7 0, 0.0 11,-0.0 0.000 360.0 360.0 360.0 -75.5 16.3 42.8 -16.4 2 6 A Q + 0 0 96 13,-0.0 12,-2.3 2,-0.0 13,-0.4 -0.757 360.0 169.0 -65.8 116.3 19.7 43.9 -15.0 3 7 A C E -A 13 0A 54 -2,-0.7 2,-0.4 10,-0.3 8,-0.0 -0.923 36.1-133.2-132.6 152.7 21.0 40.3 -14.3 4 8 A V E -A 12 0A 46 8,-2.7 8,-2.4 -2,-0.3 2,-0.6 -0.872 28.1-119.8-101.2 148.2 24.1 38.4 -13.4 5 9 A K E -A 11 0A 133 -2,-0.4 6,-0.3 6,-0.2 5,-0.1 -0.760 30.3-138.2 -86.6 121.4 25.1 35.2 -15.2 6 10 A L > - 0 0 4 4,-3.8 3,-2.3 -2,-0.6 199,-0.1 -0.311 25.7-104.8 -73.4 159.1 25.3 32.4 -12.7 7 11 A N T 3 S+ 0 0 45 197,-0.4 172,-0.1 1,-0.3 -1,-0.1 0.502 122.0 57.4 -67.3 -3.1 28.2 29.8 -12.9 8 12 A D T 3 S- 0 0 41 2,-0.2 -1,-0.3 170,-0.1 3,-0.1 0.226 122.8-102.5-105.3 8.1 25.6 27.3 -14.3 9 13 A G S < S+ 0 0 36 -3,-2.3 2,-0.1 1,-0.3 -2,-0.1 0.328 85.0 122.6 86.4 -6.4 24.7 29.6 -17.3 10 14 A H - 0 0 66 145,-0.1 -4,-3.8 -5,-0.1 2,-0.4 -0.522 57.7-128.0 -82.0 160.5 21.4 30.7 -15.8 11 15 A F E -A 5 0A 119 -6,-0.3 -6,-0.2 -2,-0.1 -1,-0.0 -0.909 17.5-165.0-114.6 137.1 20.7 34.5 -15.2 12 16 A M E -A 4 0A 0 -8,-2.4 -8,-2.7 -2,-0.4 2,-0.1 -0.973 25.8-117.9-123.8 125.1 19.6 36.1 -11.9 13 17 A P E -A 3 0A 13 0, 0.0 -10,-0.3 0, 0.0 27,-0.0 -0.399 21.1-135.0 -61.0 138.3 18.1 39.6 -11.5 14 18 A V S S+ 0 0 18 -12,-2.3 247,-2.9 246,-0.1 2,-0.5 0.642 89.8 60.6 -75.5 -16.6 20.4 41.7 -9.3 15 19 A L E S-b 261 0B 10 -13,-0.4 27,-0.7 245,-0.2 26,-0.6 -0.957 71.4-174.7-113.0 127.3 17.5 43.2 -7.3 16 20 A G E -bc 262 42B 0 245,-2.9 247,-2.0 -2,-0.5 2,-0.5 -0.876 22.7-124.7-124.7 153.6 15.3 40.7 -5.4 17 21 A F E -bc 263 43B 0 25,-3.2 27,-2.8 -2,-0.3 2,-0.5 -0.849 18.5-142.1-101.5 126.4 12.1 41.0 -3.3 18 22 A G E -bc 264 44B 8 245,-1.5 247,-0.6 -2,-0.5 27,-0.1 -0.740 16.7-176.3 -89.1 121.5 12.1 39.7 0.3 19 23 A T + 0 0 1 25,-1.7 2,-0.3 -2,-0.5 -1,-0.1 0.559 43.6 109.4 -94.3 -11.0 8.8 38.0 1.1 20 24 A Y + 0 0 55 24,-0.2 -2,-0.1 25,-0.0 30,-0.1 -0.497 34.2 162.9 -77.3 131.7 9.3 37.2 4.8 21 25 A A - 0 0 25 -2,-0.3 7,-0.1 28,-0.2 -2,-0.0 -0.985 46.3 -81.8-138.1 155.1 7.5 39.0 7.6 22 26 A P - 0 0 44 0, 0.0 27,-0.0 0, 0.0 -1,-0.0 -0.030 49.9-101.0 -49.5 148.5 6.9 38.1 11.3 23 27 A P 0 0 110 0, 0.0 26,-0.0 0, 0.0 -2,-0.0 0.664 360.0 360.0 -54.3 -19.9 4.0 35.6 12.0 24 28 A E 0 0 209 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.039 360.0 360.0 -51.4 360.0 1.8 38.6 13.1 25 ! 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 26 32 A S > 0 0 95 0, 0.0 4,-1.7 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -93.4 -2.3 36.9 2.5 27 33 A K H > + 0 0 98 2,-0.2 4,-2.9 3,-0.1 5,-0.3 0.879 360.0 56.0 -62.7 -47.3 -0.4 40.1 3.1 28 34 A A H > S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.889 106.1 50.8 -45.0 -48.4 2.4 38.1 1.4 29 35 A L H > S+ 0 0 38 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.958 113.2 43.8 -54.9 -55.4 -0.0 37.6 -1.6 30 36 A E H X S+ 0 0 99 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.920 116.9 43.3 -60.3 -48.0 -0.8 41.4 -1.8 31 37 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.820 109.3 56.6 -78.5 -27.7 2.7 42.7 -1.5 32 38 A T H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.917 109.2 47.1 -67.6 -42.8 4.3 40.2 -3.8 33 39 A K H X S+ 0 0 64 -4,-1.8 4,-2.8 -5,-0.2 -2,-0.2 0.928 112.1 50.8 -62.0 -43.4 1.9 41.2 -6.6 34 40 A L H X S+ 0 0 29 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.925 108.9 52.5 -57.8 -41.2 2.7 44.9 -5.8 35 41 A A H X>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 4,-1.0 0.945 111.3 44.5 -61.0 -47.3 6.4 44.0 -6.0 36 42 A I H ><5S+ 0 0 2 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.916 112.2 53.0 -63.8 -43.3 6.1 42.4 -9.4 37 43 A E H 3<5S+ 0 0 112 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.919 107.4 52.7 -57.5 -41.9 3.9 45.4 -10.5 38 44 A A H 3<5S- 0 0 28 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.707 131.8 -91.0 -66.2 -21.2 6.7 47.8 -9.4 39 45 A G T <<5S+ 0 0 37 -4,-1.0 -3,-0.2 -3,-0.7 2,-0.2 0.396 75.6 143.5 123.5 -1.5 9.3 45.9 -11.5 40 46 A F < + 0 0 2 -5,-2.4 -1,-0.3 -6,-0.2 -24,-0.1 -0.499 14.2 169.4 -69.8 138.0 10.7 43.2 -9.2 41 47 A R + 0 0 70 -26,-0.6 33,-3.6 -2,-0.2 2,-0.5 0.521 59.3 71.6-123.7 -15.1 11.5 40.0 -11.0 42 48 A H E -cd 16 74B 1 -27,-0.7 -25,-3.2 31,-0.2 2,-0.4 -0.896 64.6-172.1-110.0 122.6 13.5 38.1 -8.5 43 49 A I E -cd 17 75B 0 31,-2.9 33,-2.6 -2,-0.5 2,-0.6 -0.971 7.9-154.1-126.3 127.8 11.3 36.8 -5.5 44 50 A D E +cd 18 76B 4 -27,-2.8 -25,-1.7 -2,-0.4 -24,-0.2 -0.880 27.3 145.9-113.9 118.0 12.8 35.2 -2.4 45 51 A S - 0 0 0 31,-2.4 2,-0.3 -2,-0.6 3,-0.1 -0.583 19.2-168.8-131.4-170.7 10.8 32.8 -0.2 46 52 A A > > - 0 0 0 31,-0.2 3,-1.1 -2,-0.2 5,-0.6 -0.913 40.8-105.4-176.2 153.6 11.6 29.6 1.9 47 53 A H G > 5S+ 0 0 40 31,-1.5 3,-1.5 -2,-0.3 5,-0.1 0.888 118.0 64.2 -53.2 -41.0 9.9 26.8 3.7 48 54 A L G 3 5S+ 0 0 50 1,-0.2 -1,-0.2 30,-0.2 74,-0.1 0.785 94.3 59.5 -53.0 -33.7 10.8 28.7 6.9 49 55 A Y G < 5S- 0 0 38 -3,-1.1 -1,-0.2 1,-0.1 -28,-0.2 0.621 89.5-144.5 -80.5 -14.4 8.5 31.6 6.0 50 56 A N T < 5S+ 0 0 121 -3,-1.5 -3,-0.1 -4,-0.5 -2,-0.1 0.865 76.1 100.2 54.6 36.9 5.3 29.5 5.8 51 57 A N >< + 0 0 12 -5,-0.6 4,-2.7 2,-0.1 5,-0.2 0.311 34.5 109.1-132.6 8.7 4.3 31.8 2.9 52 58 A E H > S+ 0 0 0 -6,-0.3 4,-2.8 1,-0.2 5,-0.2 0.830 79.4 54.1 -64.3 -33.0 5.1 29.8 -0.2 53 59 A E H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.951 114.8 40.7 -61.1 -48.4 1.3 29.2 -1.0 54 60 A Q H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.865 118.3 45.2 -71.8 -37.0 0.7 33.0 -0.9 55 61 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.922 114.4 49.3 -72.0 -46.0 4.0 34.0 -2.8 56 62 A G H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 5,-0.3 0.909 111.0 51.4 -55.3 -46.7 3.4 31.2 -5.4 57 63 A L H X S+ 0 0 58 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.904 108.4 50.9 -54.7 -47.3 -0.2 32.5 -5.8 58 64 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.911 113.0 45.3 -59.9 -45.4 1.1 36.1 -6.3 59 65 A I H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.925 114.7 46.4 -64.7 -47.0 3.6 35.0 -9.0 60 66 A R H X S+ 0 0 58 -4,-2.6 4,-3.5 1,-0.2 5,-0.2 0.864 109.9 55.9 -67.4 -34.6 1.1 32.8 -10.8 61 67 A S H X S+ 0 0 35 -4,-2.3 4,-2.2 -5,-0.3 6,-0.2 0.908 107.6 47.6 -62.5 -42.0 -1.5 35.5 -10.6 62 68 A K H <>S+ 0 0 8 -4,-1.8 6,-1.7 2,-0.2 5,-1.0 0.742 115.5 46.1 -74.4 -23.4 0.9 38.0 -12.3 63 69 A I H ><5S+ 0 0 45 -4,-1.5 3,-1.7 4,-0.2 -2,-0.2 0.904 112.1 49.9 -76.0 -51.8 1.6 35.4 -15.0 64 70 A A H 3<5S+ 0 0 92 -4,-3.5 -2,-0.2 1,-0.3 -3,-0.2 0.865 109.5 51.9 -53.0 -40.1 -2.1 34.4 -15.5 65 71 A D T 3<5S- 0 0 86 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.1 0.415 118.2-114.8 -81.3 3.9 -3.0 38.1 -15.9 66 72 A G T < 5S+ 0 0 60 -3,-1.7 -3,-0.2 2,-0.3 -2,-0.1 0.466 81.7 123.1 83.6 2.7 -0.3 38.5 -18.6 67 73 A S S - 0 0 129 -2,-0.3 3,-1.7 1,-0.1 4,-0.5 -0.746 35.5-108.7 -99.5 159.4 5.8 35.2 -18.3 70 76 A R G > S+ 0 0 35 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.871 119.3 57.0 -53.7 -40.9 7.2 32.4 -16.1 71 77 A E G 3 S+ 0 0 129 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.644 100.7 59.7 -71.7 -11.3 10.7 32.7 -17.6 72 78 A D G < S+ 0 0 79 -3,-1.7 2,-0.4 2,-0.0 -1,-0.3 0.550 94.4 76.2 -86.2 -16.1 10.7 36.4 -16.6 73 79 A I < - 0 0 2 -3,-1.5 2,-0.6 -4,-0.5 -31,-0.2 -0.809 65.7-156.5 -98.7 137.9 10.3 35.5 -12.9 74 80 A F E -d 42 0B 9 -33,-3.6 -31,-2.9 -2,-0.4 2,-0.5 -0.929 18.7-169.4-116.1 106.1 13.2 34.3 -10.9 75 81 A Y E -d 43 0B 0 -2,-0.6 31,-1.8 -33,-0.2 32,-1.8 -0.853 3.3-168.8-106.4 126.4 11.7 32.4 -7.9 76 82 A T E +de 44 107B 0 -33,-2.6 -31,-2.4 -2,-0.5 2,-0.3 -0.922 9.9 169.4-114.5 134.0 13.8 31.2 -5.0 77 83 A S E - e 0 108B 0 30,-2.2 32,-1.8 -2,-0.4 2,-0.4 -0.834 21.1-133.2-128.2 179.7 13.0 28.8 -2.1 78 84 A K E - e 0 109B 0 -2,-0.3 -31,-1.5 30,-0.2 2,-0.6 -0.988 13.0-123.5-142.0 136.6 15.1 27.2 0.6 79 85 A L E - e 0 110B 0 30,-3.3 32,-2.2 -2,-0.4 33,-0.4 -0.729 39.8-126.8 -74.0 117.3 15.6 23.8 2.1 80 86 A W > - 0 0 14 -2,-0.6 3,-2.2 30,-0.1 36,-0.1 -0.319 18.7-112.0 -73.5 152.9 15.0 24.2 5.9 81 87 A S G > S+ 0 0 0 1,-0.3 35,-2.8 2,-0.1 3,-0.5 0.591 113.4 62.8 -67.9 -14.9 17.7 23.0 8.3 82 88 A T G 3 S+ 0 0 3 33,-0.2 -1,-0.3 1,-0.2 37,-0.3 0.415 99.7 58.7 -82.0 -0.1 15.6 20.1 9.7 83 89 A F G < + 0 0 50 -3,-2.2 -1,-0.2 1,-0.1 -2,-0.1 -0.051 66.8 113.4-118.6 31.1 15.6 18.5 6.2 84 90 A H < + 0 0 2 -3,-0.5 -1,-0.1 32,-0.3 5,-0.1 0.748 42.9 105.8 -76.2 -24.4 19.3 18.1 5.6 85 91 A R S >> S- 0 0 96 -3,-0.2 3,-2.7 1,-0.1 4,-0.7 -0.421 82.6-122.3 -59.9 128.3 19.3 14.3 5.5 86 92 A P H >> S+ 0 0 49 0, 0.0 3,-0.9 0, 0.0 4,-0.6 0.781 108.8 55.7 -47.0 -41.3 19.7 13.4 1.9 87 93 A E H 34 S+ 0 0 127 1,-0.2 -2,-0.1 2,-0.1 -3,-0.1 0.686 106.0 53.0 -67.5 -20.1 16.4 11.4 1.7 88 94 A L H <> S+ 0 0 50 -3,-2.7 4,-2.2 2,-0.1 -1,-0.2 0.665 91.2 77.7 -83.7 -19.6 14.4 14.4 2.9 89 95 A V H S+ 0 0 66 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.893 110.2 51.4 -58.0 -38.7 10.5 15.5 -0.9 92 98 A A H X S+ 0 0 15 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.920 112.9 44.9 -64.8 -41.5 11.1 19.0 0.8 93 99 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.950 112.4 51.3 -61.8 -48.4 11.5 20.6 -2.7 94 100 A E H X S+ 0 0 81 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.883 110.1 50.0 -59.1 -36.9 8.5 18.7 -4.1 95 101 A N H X S+ 0 0 63 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.907 109.5 50.7 -69.6 -39.7 6.5 20.0 -1.1 96 102 A S H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.921 113.5 46.6 -56.5 -45.6 7.7 23.6 -1.7 97 103 A L H X>S+ 0 0 12 -4,-2.8 5,-1.7 2,-0.2 4,-1.2 0.874 109.9 52.4 -66.8 -40.5 6.7 23.2 -5.4 98 104 A K H <5S+ 0 0 149 -4,-2.4 3,-0.4 -5,-0.2 -2,-0.2 0.943 110.8 48.0 -62.7 -47.6 3.3 21.7 -4.5 99 105 A K H <5S+ 0 0 35 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.907 117.7 40.1 -56.4 -46.4 2.6 24.7 -2.1 100 106 A A H <5S- 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.617 104.1-132.8 -76.9 -16.4 3.6 27.3 -4.8 101 107 A Q T <5 + 0 0 132 -4,-1.2 2,-0.3 -3,-0.4 -3,-0.2 0.866 60.8 133.2 59.2 40.7 1.9 25.3 -7.5 102 108 A L < - 0 0 19 -5,-1.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.871 61.9-135.1-118.2 155.9 4.9 25.6 -9.8 103 109 A D S S- 0 0 143 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.752 85.8 -2.8 -77.3 -28.2 6.8 23.1 -11.8 104 110 A Y - 0 0 45 -7,-0.1 2,-0.3 50,-0.0 50,-0.2 -0.980 63.7-124.7-157.9 155.6 10.3 24.2 -10.8 105 111 A V E - f 0 154B 0 48,-2.1 50,-2.5 -2,-0.3 51,-0.2 -0.810 18.9-136.4 -98.0 152.4 12.0 26.9 -8.7 106 112 A D E S+ 0 0 18 -31,-1.8 50,-1.4 -2,-0.3 2,-0.4 0.843 91.4 15.9 -70.5 -31.6 14.6 29.0 -10.3 107 113 A L E -ef 76 156B 3 -32,-1.8 -30,-2.2 48,-0.2 2,-0.4 -0.995 61.8-168.5-147.0 130.7 16.9 28.6 -7.3 108 114 A Y E -ef 77 157B 1 48,-1.8 50,-2.0 -2,-0.4 2,-0.3 -0.995 18.3-165.7-122.9 126.6 16.9 26.2 -4.3 109 115 A L E -ef 78 158B 0 -32,-1.8 -30,-3.3 -2,-0.4 2,-0.8 -0.855 32.5-122.0-111.5 142.3 19.2 27.0 -1.4 110 116 A I E -ef 79 159B 0 48,-1.8 50,-1.2 -2,-0.3 -30,-0.1 -0.799 36.2-148.7 -66.1 111.5 20.5 25.2 1.6 111 117 A H - 0 0 16 -32,-2.2 -1,-0.2 -2,-0.8 -31,-0.1 0.845 67.2 -4.4 -61.2 -37.0 18.9 27.8 4.0 112 118 A S - 0 0 4 -33,-0.4 49,-0.2 -3,-0.1 -1,-0.2 -0.993 56.1-127.5-154.0 154.1 21.7 27.4 6.6 113 119 A P S S+ 0 0 0 0, 0.0 2,-1.0 0, 0.0 25,-0.1 0.348 86.6 96.1 -82.0 6.5 24.8 25.3 7.4 114 120 A M - 0 0 14 195,-0.0 -33,-0.1 19,-0.0 197,-0.0 -0.778 68.3-153.2-103.5 85.3 23.4 24.4 10.9 115 121 A S - 0 0 6 -2,-1.0 19,-1.6 19,-0.2 2,-0.3 -0.329 10.5-159.8 -58.8 138.2 21.6 21.1 10.5 116 122 A L B -J 133 0C 1 -35,-2.8 -32,-0.3 17,-0.3 17,-0.3 -0.902 30.5 -86.9-121.2 151.1 18.8 20.5 13.0 117 123 A K - 0 0 90 15,-2.1 15,-0.1 -2,-0.3 17,-0.1 -0.286 54.2-106.7 -54.1 134.3 17.2 17.3 14.2 118 124 A P + 0 0 43 0, 0.0 2,-0.3 0, 0.0 -35,-0.1 -0.209 68.4 92.9 -64.4 158.3 14.4 16.2 11.8 119 125 A G S S- 0 0 49 -37,-0.3 -37,-0.1 1,-0.1 -3,-0.0 -0.935 85.8 -63.5 146.8-173.2 10.8 16.6 12.9 120 126 A E S S+ 0 0 204 -2,-0.3 2,-0.3 3,-0.0 -1,-0.1 0.663 100.4 91.3 -87.0 -18.9 7.7 18.8 12.8 121 127 A E - 0 0 116 1,-0.1 -2,-0.0 -3,-0.1 -39,-0.0 -0.604 67.3-148.5 -77.6 137.7 9.4 21.6 14.8 122 128 A L S S+ 0 0 69 -2,-0.3 -1,-0.1 1,-0.2 -40,-0.1 0.905 94.5 16.7 -71.9 -45.5 11.2 24.3 12.8 123 129 A S S S- 0 0 53 -3,-0.1 -1,-0.2 -42,-0.0 -3,-0.0 -0.637 79.7-158.9-127.9 82.7 13.8 24.9 15.4 124 130 A P - 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0 0 40 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.899 29.9-110.2-125.0 162.3 16.7 57.8 0.7 246 252 A P H > S+ 0 0 32 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.859 120.4 57.2 -59.4 -34.9 19.1 56.0 3.1 247 253 A A H > S+ 0 0 12 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.930 107.4 47.0 -57.7 -46.7 17.4 52.7 2.0 248 254 A L H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.871 109.7 53.1 -62.1 -39.8 18.3 53.5 -1.7 249 255 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.940 110.6 48.0 -61.7 -44.7 21.9 54.3 -0.7 250 256 A A H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.850 114.9 44.2 -62.5 -41.4 22.1 50.9 1.1 251 257 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.912 113.1 50.7 -70.5 -42.6 20.7 49.0 -1.8 252 258 A R H X S+ 0 0 31 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.875 102.3 61.7 -65.0 -38.7 22.8 50.8 -4.4 253 259 A Y H X S+ 0 0 0 -4,-2.2 4,-0.8 -5,-0.2 -1,-0.2 0.922 106.0 46.5 -49.5 -48.5 26.0 50.2 -2.5 254 260 A Q H ><>S+ 0 0 0 -4,-1.1 5,-2.4 1,-0.2 3,-1.0 0.932 109.1 54.4 -62.8 -47.0 25.5 46.4 -2.9 255 261 A L H ><5S+ 0 0 26 -4,-1.9 3,-1.2 1,-0.3 -1,-0.2 0.900 107.4 50.5 -56.1 -41.3 24.7 46.7 -6.6 256 262 A Q H 3<5S+ 0 0 60 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.666 108.0 51.8 -75.0 -16.3 28.0 48.6 -7.3 257 263 A R T <<5S- 0 0 25 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.327 122.3-102.9-101.6 8.6 30.2 46.1 -5.5 258 264 A G T < 5S+ 0 0 45 -3,-1.2 -51,-0.4 -4,-0.4 2,-0.4 0.760 75.6 140.1 82.4 26.3 28.7 43.2 -7.5 259 265 A V < - 0 0 2 -5,-2.4 2,-0.4 -6,-0.1 -1,-0.3 -0.827 53.2-131.2-100.1 132.0 26.4 41.9 -4.7 260 266 A V E - i 0 208B 1 -53,-2.4 -51,-3.1 -2,-0.4 2,-0.4 -0.783 34.4-149.3 -76.8 131.2 22.8 40.7 -5.7 261 267 A V E -bi 15 209B 0 -247,-2.9 -245,-2.9 -2,-0.4 2,-0.3 -0.901 14.6-156.5-120.0 130.9 20.6 42.5 -3.2 262 268 A L E -b 16 0B 10 -53,-2.3 -50,-0.4 -2,-0.4 2,-0.3 -0.745 8.5-170.4 -91.9 150.7 17.2 41.6 -1.6 263 269 A A E -b 17 0B 2 -247,-2.0 -245,-1.5 -2,-0.3 2,-0.4 -0.913 5.9-159.2-141.7 117.0 14.8 44.2 -0.2 264 270 A K E +b 18 0B 74 -2,-0.3 2,-0.3 -247,-0.2 -245,-0.1 -0.776 22.7 156.5 -89.2 132.8 11.7 43.3 1.9 265 271 A S - 0 0 8 -247,-0.6 -230,-0.1 -2,-0.4 -2,-0.1 -0.937 27.9-173.6-149.7 138.4 8.9 45.9 2.1 266 272 A Y + 0 0 38 -2,-0.3 2,-0.5 -234,-0.0 -234,-0.0 0.185 66.3 95.2-106.2 16.0 5.3 45.3 2.9 267 273 A N S > S- 0 0 44 1,-0.1 4,-2.3 -236,-0.0 5,-0.2 -0.917 70.6-142.1-114.3 127.1 4.5 49.0 2.2 268 274 A E H > S+ 0 0 90 -2,-0.5 4,-1.4 1,-0.2 5,-0.1 0.824 100.4 46.5 -60.4 -36.9 3.3 50.0 -1.3 269 275 A Q H > S+ 0 0 112 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.917 113.7 48.2 -73.3 -41.0 5.2 53.3 -1.4 270 276 A R H > S+ 0 0 140 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.855 108.0 55.8 -66.5 -32.9 8.5 51.7 -0.2 271 277 A I H X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.916 111.3 43.9 -62.2 -44.1 8.1 48.8 -2.7 272 278 A R H < S+ 0 0 137 -4,-1.4 3,-0.4 -5,-0.2 4,-0.3 0.872 111.9 54.0 -71.1 -38.5 7.9 51.3 -5.6 273 279 A Q H >< S+ 0 0 47 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.906 98.4 62.8 -59.3 -42.6 10.8 53.4 -4.1 274 280 A N H >< S+ 0 0 5 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.803 92.9 62.7 -61.1 -30.3 13.2 50.4 -4.0 275 281 A V G >< S+ 0 0 32 -4,-0.8 3,-1.1 -3,-0.4 -1,-0.3 0.654 84.5 78.5 -71.1 -12.1 13.2 49.9 -7.7 276 282 A Q G X + 0 0 60 -3,-2.2 3,-2.0 -4,-0.3 4,-0.3 0.512 64.6 95.1 -68.2 -3.2 14.6 53.4 -8.0 277 283 A V G X S+ 0 0 0 -3,-1.6 3,-0.7 1,-0.3 -1,-0.2 0.809 79.9 57.2 -59.6 -28.5 18.0 51.8 -7.1 278 284 A F G < S+ 0 0 71 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.1 0.539 92.9 72.4 -75.9 -7.5 18.7 51.6 -10.9 279 285 A E G < S+ 0 0 117 -3,-2.0 2,-0.3 -4,-0.1 -1,-0.2 0.523 97.3 33.7 -90.8 -10.8 18.3 55.4 -11.3 280 286 A F < - 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0 0 142 -105,-1.6 -104,-0.2 2,-0.1 -1,-0.2 0.151 55.5-117.4-122.9 9.5 31.3 47.1 12.2 296 302 A N + 0 0 104 1,-0.2 2,-0.8 -107,-0.1 -105,-0.3 0.895 59.1 165.2 47.3 45.0 31.1 43.4 11.5 297 303 A L - 0 0 36 -107,-3.2 2,-0.6 -109,-0.1 -1,-0.2 -0.797 24.8-170.6-100.6 104.4 27.6 43.6 13.0 298 304 A H - 0 0 35 -2,-0.8 -107,-0.0 1,-0.1 15,-0.0 -0.832 10.7-158.6 -88.8 125.9 25.2 40.7 12.3 299 305 A Y S S+ 0 0 2 -2,-0.6 2,-0.9 -77,-0.1 -76,-0.5 0.831 80.2 80.2 -69.3 -34.7 21.7 41.6 13.5 300 306 A F + 0 0 76 -78,-0.1 -78,-0.2 1,-0.1 -2,-0.1 -0.706 63.0 149.2 -72.9 109.0 20.7 37.9 13.8 301 307 A N + 0 0 72 -80,-2.4 2,-0.4 -2,-0.9 -1,-0.1 -0.426 9.6 134.6-153.9 62.6 22.4 37.5 17.1 302 308 A S >> - 0 0 30 1,-0.1 4,-2.5 -79,-0.0 3,-0.9 -0.920 56.0-129.8-126.2 143.5 20.8 35.0 19.5 303 309 A D H 3> S+ 0 0 137 -2,-0.4 4,-1.9 1,-0.2 5,-0.1 0.794 100.5 75.2 -52.5 -33.1 22.1 32.2 21.8 304 310 A S H 34 S+ 0 0 26 1,-0.2 -173,-2.1 2,-0.2 -1,-0.2 0.880 115.9 16.7 -55.1 -41.4 19.6 29.7 20.2 305 311 A F H X4 S+ 0 0 40 -3,-0.9 3,-1.7 -175,-0.1 -1,-0.2 0.682 115.5 70.2-103.3 -24.9 21.7 29.5 17.1 306 312 A A H 3< S+ 0 0 37 -4,-2.5 -3,-0.2 1,-0.3 -2,-0.2 0.779 96.1 59.0 -63.9 -23.6 25.1 30.9 18.3 307 313 A S T 3< S+ 0 0 39 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.1 0.612 81.3 109.3 -73.4 -17.5 25.3 27.7 20.4 308 314 A H S X S- 0 0 9 -3,-1.7 3,-2.1 -5,-0.1 -176,-0.1 -0.452 73.9-131.9 -70.6 133.5 25.2 25.6 17.2 309 315 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -195,-0.0 0.755 107.4 47.4 -53.7 -30.0 28.6 23.9 16.4 310 316 A N T 3 S+ 0 0 35 -195,-0.1 -2,-0.1 4,-0.0 -3,-0.1 0.129 75.2 147.2-103.9 24.4 28.3 25.0 12.8 311 317 A Y X - 0 0 22 -3,-2.1 3,-0.9 1,-0.2 4,-0.3 -0.347 45.5-142.5 -52.8 124.5 27.4 28.6 13.5 312 318 A P G > S+ 0 0 5 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.697 89.0 67.9 -72.5 -13.8 28.9 30.5 10.7 313 319 A Y G 3 S+ 0 0 38 1,-0.2 -2,-0.1 -150,-0.1 -15,-0.0 0.464 76.3 81.2 -91.2 1.0 30.0 33.6 12.7 314 320 A S G < S+ 0 0 90 -3,-0.9 -1,-0.2 3,-0.0 -4,-0.0 0.927 84.1 72.5 -60.9 -44.9 32.7 31.8 14.8 315 321 A D S < S- 0 0 58 -3,-0.5 0, 0.0 -4,-0.3 0, 0.0 -0.213 94.8-114.2 -70.3 158.7 35.2 32.1 12.0 316 322 A E 0 0 139 1,-0.1 -1,-0.1 -153,-0.0 -3,-0.0 0.946 360.0 360.0 -57.5 -46.6 36.9 35.4 10.9 317 323 A Y 0 0 64 -122,-0.1 -153,-2.2 -121,-0.0 -1,-0.1 0.176 360.0 360.0-158.5 360.0 34.9 35.1 7.7