==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-JAN-05 2BGS . COMPND 2 MOLECULE: ALDOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HORDEUM VULGARE; . AUTHOR J.G.OLSEN,L.PEDERSEN,C.L.CHRISTENSEN,O.OLSEN,A.HENRIKSEN . 308 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13562.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.9 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 0 1 0 0 2 3 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 1 1 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 . 1 1 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 . 2 0 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 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 13 A Q 0 0 162 0, 0.0 240,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 140.4 44.9 34.6 17.2 2 14 A D + 0 0 99 1,-0.1 12,-2.1 12,-0.1 13,-0.4 0.444 360.0 27.2 -87.3 0.7 46.6 36.5 14.4 3 15 A H E -A 13 0A 75 10,-0.3 2,-0.4 11,-0.1 -1,-0.1 -0.992 65.9-139.6-156.0 160.3 43.3 38.2 13.4 4 16 A F E -A 12 0A 18 8,-2.9 8,-3.3 -2,-0.3 2,-0.6 -0.924 17.3-134.1-120.9 146.9 40.0 39.4 14.8 5 17 A V E -A 11 0A 98 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.892 22.2-146.2-104.1 120.8 36.6 39.2 13.2 6 18 A L > - 0 0 5 4,-2.8 3,-2.2 -2,-0.6 191,-0.1 -0.339 31.2 -98.8 -79.2 168.1 34.6 42.4 13.4 7 19 A K T 3 S+ 0 0 142 1,-0.3 -1,-0.1 166,-0.3 190,-0.0 0.824 123.7 60.2 -56.3 -34.6 30.8 42.5 13.8 8 20 A S T 3 S- 0 0 58 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.613 119.8-110.8 -67.8 -15.1 30.5 43.1 10.0 9 21 A G S < S+ 0 0 51 -3,-2.2 2,-0.2 1,-0.4 -2,-0.1 0.298 75.4 134.6 99.6 -9.1 32.3 39.8 9.4 10 22 A H - 0 0 77 139,-0.1 -4,-2.8 -5,-0.1 -1,-0.4 -0.555 54.1-126.6 -76.0 138.0 35.4 41.5 8.1 11 23 A A E -A 5 0A 56 -2,-0.2 -6,-0.2 -6,-0.2 -1,-0.1 -0.631 20.0-162.8 -87.2 141.2 38.7 40.2 9.4 12 24 A M E -A 4 0A 1 -8,-3.3 -8,-2.9 -2,-0.3 29,-0.1 -0.983 23.6-119.5-125.5 121.8 41.3 42.6 11.0 13 25 A P E -A 3 0A 28 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.363 19.8-132.2 -60.8 138.7 44.9 41.5 11.5 14 26 A A S S+ 0 0 0 -12,-2.1 230,-2.7 229,-0.1 2,-0.5 0.795 89.4 49.1 -63.3 -36.6 45.9 41.6 15.1 15 27 A V B +b 244 0B 6 -13,-0.4 25,-0.6 228,-0.2 2,-0.3 -0.933 68.4 173.7-111.0 131.8 49.2 43.5 14.6 16 28 A G - 0 0 0 228,-2.5 2,-0.6 -2,-0.5 26,-0.2 -0.869 34.1-107.7-129.9 164.4 49.4 46.7 12.6 17 29 A L E -c 42 0B 2 24,-2.3 26,-3.0 -2,-0.3 230,-0.2 -0.820 28.8-144.8 -95.1 119.7 52.0 49.3 11.8 18 30 A G E -cd 43 247B 8 228,-2.3 230,-0.6 -2,-0.6 26,-0.1 -0.576 14.6-174.3 -77.8 147.9 51.5 52.7 13.5 19 31 A T > + 0 0 2 24,-1.0 3,-1.8 -2,-0.2 2,-0.2 0.311 33.6 131.6-126.2 6.3 52.6 55.7 11.4 20 32 A W T 3 S- 0 0 77 1,-0.3 -2,-0.1 23,-0.1 29,-0.0 -0.481 90.1 -0.4 -64.5 129.9 52.1 58.7 13.7 21 33 A R T 3 S+ 0 0 97 27,-0.2 -1,-0.3 -2,-0.2 228,-0.1 0.766 87.7 150.0 59.0 31.8 55.4 60.8 13.6 22 34 A A X - 0 0 8 -3,-1.8 3,-0.6 1,-0.2 -2,-0.1 0.660 35.4-162.6 -67.1 -23.1 56.8 58.3 11.1 23 35 A G G > - 0 0 42 -4,-0.2 3,-1.4 1,-0.2 -1,-0.2 -0.207 45.2 -27.4 77.2-161.5 58.9 60.9 9.3 24 36 A S G 3 S+ 0 0 113 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.664 130.1 61.2 -69.7 -19.3 60.6 60.9 5.9 25 37 A D G <> S+ 0 0 82 -3,-0.6 4,-2.9 1,-0.2 -1,-0.3 0.298 70.1 114.2 -90.4 11.8 61.0 57.1 5.8 26 38 A T H <> S+ 0 0 0 -3,-1.4 4,-2.4 1,-0.2 5,-0.2 0.900 76.2 44.7 -46.2 -55.4 57.2 56.6 6.0 27 39 A A H > S+ 0 0 21 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.917 115.5 48.0 -58.5 -46.5 56.8 55.1 2.5 28 40 A H H > S+ 0 0 87 -4,-0.2 4,-2.6 1,-0.2 5,-0.2 0.915 111.0 51.4 -59.7 -44.9 59.9 52.8 2.9 29 41 A S H X S+ 0 0 4 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.906 109.5 49.3 -59.4 -46.6 58.7 51.6 6.3 30 42 A V H X S+ 0 0 1 -4,-2.4 4,-2.2 -5,-0.2 5,-0.2 0.945 112.8 46.5 -61.1 -46.9 55.2 50.7 5.1 31 43 A R H X S+ 0 0 101 -4,-2.3 4,-3.0 1,-0.2 5,-0.4 0.916 115.0 46.9 -63.0 -41.9 56.6 48.7 2.1 32 44 A T H X>S+ 0 0 2 -4,-2.6 5,-2.2 1,-0.2 4,-0.5 0.911 110.7 52.4 -65.0 -44.4 59.1 46.9 4.3 33 45 A A H <5S+ 0 0 0 -4,-2.6 6,-2.7 -5,-0.2 -1,-0.2 0.932 116.7 39.1 -57.2 -47.9 56.6 46.1 7.0 34 46 A I H X5S+ 0 0 0 -4,-2.2 4,-0.7 4,-0.2 -2,-0.2 0.966 126.6 30.4 -72.7 -50.4 54.2 44.6 4.4 35 47 A T H <5S+ 0 0 44 -4,-3.0 -3,-0.2 -5,-0.2 3,-0.1 0.999 131.7 25.7 -74.9 -64.9 56.6 42.8 2.2 36 48 A E T <5S+ 0 0 113 -4,-0.5 -3,-0.2 -5,-0.4 -4,-0.1 0.913 131.4 36.1 -66.7 -45.2 59.5 41.7 4.4 37 49 A A T 4 > - 0 0 0 -2,-0.2 3,-1.0 30,-0.2 5,-0.6 -0.950 29.6-117.7-164.8 148.4 45.3 59.5 10.1 46 58 A A G > 5S+ 0 0 34 30,-1.4 3,-1.6 -2,-0.3 5,-0.2 0.895 112.9 57.6 -58.6 -39.8 44.9 62.6 8.1 47 59 A E G 3 5S+ 0 0 102 1,-0.3 -1,-0.2 29,-0.3 30,-0.0 0.709 90.4 71.2 -68.9 -18.5 46.3 64.8 11.0 48 60 A Y G < 5S- 0 0 44 -3,-1.0 -1,-0.3 1,-0.1 -27,-0.2 0.687 96.0-139.9 -68.7 -18.6 49.6 62.8 11.0 49 61 A G T < 5S+ 0 0 68 -3,-1.6 -2,-0.1 -4,-0.4 4,-0.1 0.714 77.9 95.2 68.3 19.5 50.4 64.5 7.7 50 62 A V >< + 0 0 16 -5,-0.6 4,-2.4 2,-0.1 3,-0.2 0.313 40.9 107.4-122.0 9.1 52.0 61.4 6.3 51 63 A E H > S+ 0 0 5 -6,-0.3 4,-2.7 -5,-0.2 5,-0.2 0.840 78.0 56.3 -62.5 -33.0 49.1 59.8 4.3 52 64 A K H > S+ 0 0 134 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.947 111.9 43.7 -62.5 -42.5 50.6 60.7 0.9 53 65 A E H > S+ 0 0 67 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.881 111.5 52.6 -68.9 -35.5 53.7 58.8 1.9 54 66 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.919 107.1 54.7 -63.9 -40.1 51.7 55.9 3.3 55 67 A G H X S+ 0 0 0 -4,-2.7 4,-2.5 42,-0.3 -1,-0.2 0.894 106.6 50.4 -58.5 -41.8 49.9 55.8 0.0 56 68 A K H X S+ 0 0 108 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.910 112.0 47.9 -63.3 -41.5 53.2 55.5 -1.9 57 69 A G H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.906 112.3 47.6 -65.6 -41.8 54.2 52.6 0.4 58 70 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.884 111.7 52.0 -66.6 -38.2 50.9 50.8 0.0 59 71 A K H X S+ 0 0 78 -4,-2.5 4,-2.9 -5,-0.2 -2,-0.2 0.934 109.7 48.5 -62.5 -46.5 51.1 51.3 -3.7 60 72 A A H X S+ 0 0 25 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.881 110.9 50.9 -62.2 -38.0 54.6 49.8 -3.8 61 73 A A H <>S+ 0 0 0 -4,-2.0 5,-2.0 2,-0.2 -1,-0.2 0.893 111.8 47.1 -67.9 -40.2 53.5 46.8 -1.7 62 74 A M H ><5S+ 0 0 46 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.909 110.1 52.3 -68.0 -38.1 50.6 46.2 -4.0 63 75 A E H 3<5S+ 0 0 134 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.768 103.6 60.8 -66.4 -23.0 52.9 46.5 -7.0 64 76 A A T 3<5S- 0 0 51 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.432 132.9 -88.7 -81.4 -3.0 55.1 43.9 -5.2 65 77 A G T < 5S+ 0 0 56 -3,-1.8 2,-0.4 1,-0.4 -3,-0.2 0.399 82.6 134.5 114.5 -5.3 52.2 41.4 -5.4 66 78 A I < - 0 0 25 -5,-2.0 -1,-0.4 1,-0.0 2,-0.3 -0.664 52.3-131.1 -79.9 131.8 50.1 42.0 -2.3 67 79 A D > - 0 0 87 -2,-0.4 3,-1.8 1,-0.1 4,-0.4 -0.633 10.2-127.2 -83.8 142.3 46.4 42.1 -3.1 68 80 A R G > S+ 0 0 41 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.867 107.8 62.4 -54.1 -39.8 44.4 45.0 -1.8 69 81 A K G 3 S+ 0 0 154 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.718 101.2 53.1 -62.9 -18.5 41.8 42.6 -0.4 70 82 A D G < S+ 0 0 88 -3,-1.8 2,-0.4 2,-0.0 -1,-0.3 0.495 96.2 81.8 -95.3 -2.8 44.5 41.2 1.9 71 83 A L < - 0 0 5 -3,-1.8 2,-0.6 -4,-0.4 -30,-0.2 -0.813 63.8-152.8-104.2 144.6 45.5 44.6 3.4 72 84 A F E -e 41 0B 8 -32,-2.3 -30,-2.4 -2,-0.4 2,-0.5 -0.960 15.2-173.4-118.7 114.2 43.7 46.4 6.2 73 85 A V E -e 42 0B 1 -2,-0.6 32,-1.8 -32,-0.2 31,-1.5 -0.936 1.7-169.7-114.0 127.2 44.1 50.2 6.1 74 86 A T E +ef 43 105B 0 -32,-2.4 -30,-2.2 -2,-0.5 2,-0.3 -0.895 10.6 166.5-113.4 139.0 42.8 52.4 8.9 75 87 A S E - f 0 106B 0 30,-2.4 32,-2.3 -2,-0.4 2,-0.3 -0.844 20.5-136.9-136.9-177.6 42.6 56.2 8.8 76 88 A K E - f 0 107B 0 -2,-0.3 -30,-1.4 30,-0.2 2,-0.5 -0.997 12.9-123.8-146.9 145.4 40.8 58.8 10.9 77 89 A I E - f 0 108B 1 30,-2.7 32,-1.9 -2,-0.3 33,-0.4 -0.773 35.7-125.0 -93.1 129.2 38.8 62.0 10.4 78 90 A W > - 0 0 17 -2,-0.5 3,-2.3 31,-0.1 4,-0.1 -0.345 19.6-107.9 -77.8 154.5 40.2 65.0 12.2 79 91 A C G > S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 35,-1.3 0.752 114.4 62.1 -47.3 -38.8 38.4 67.3 14.6 80 92 A T G 3 S+ 0 0 27 1,-0.3 -1,-0.3 33,-0.2 36,-0.1 0.741 105.3 48.6 -67.0 -18.1 38.1 70.2 12.2 81 93 A N G < S+ 0 0 35 -3,-2.3 2,-2.1 1,-0.1 -1,-0.3 0.288 74.9 114.4-104.2 13.8 36.0 68.0 9.9 82 94 A L < + 0 0 1 -3,-1.6 49,-0.4 32,-0.2 53,-0.1 -0.430 49.4 100.0 -84.9 64.7 33.6 66.7 12.6 83 95 A A S >> S- 0 0 2 -2,-2.1 3,-2.1 47,-0.1 4,-0.8 -0.968 84.8-112.4-140.3 139.6 30.5 68.5 11.1 84 96 A P H >> S+ 0 0 33 0, 0.0 3,-1.3 0, 0.0 4,-0.5 0.875 114.8 48.7 -42.7 -52.7 28.0 66.5 8.9 85 97 A E H 34 S+ 0 0 136 1,-0.2 -3,-0.1 2,-0.1 -4,-0.0 0.641 109.4 55.1 -66.1 -12.9 28.8 68.3 5.6 86 98 A R H <> S+ 0 0 64 -3,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.550 85.5 81.1 -98.9 -6.9 32.6 67.9 6.1 87 99 A V H S+ 0 0 69 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.913 110.8 51.2 -60.3 -38.1 35.1 65.6 1.7 90 102 A A H X S+ 0 0 11 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.937 112.1 45.8 -64.5 -44.4 37.6 64.6 4.5 91 103 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.940 111.2 51.8 -65.1 -44.3 37.3 60.9 3.6 92 104 A E H X S+ 0 0 102 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.909 109.2 51.3 -60.4 -37.7 37.7 61.6 -0.2 93 105 A N H X S+ 0 0 87 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.915 110.0 49.8 -63.1 -43.1 40.8 63.6 0.5 94 106 A T H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.908 109.9 49.7 -63.0 -40.6 42.2 60.8 2.6 95 107 A L H X>S+ 0 0 15 -4,-2.6 5,-1.9 2,-0.2 4,-1.1 0.878 109.7 52.8 -67.0 -36.1 41.5 58.2 -0.2 96 108 A K H ><5S+ 0 0 157 -4,-2.2 3,-0.8 -5,-0.2 -2,-0.2 0.971 112.0 43.9 -61.5 -52.2 43.3 60.4 -2.7 97 109 A D H 3<5S+ 0 0 30 -4,-2.6 -42,-0.3 1,-0.2 -2,-0.2 0.885 116.7 46.4 -59.8 -40.7 46.4 60.7 -0.5 98 110 A L H 3<5S- 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.595 105.4-130.2 -76.6 -12.8 46.4 57.0 0.3 99 111 A Q T <<5 + 0 0 93 -4,-1.1 2,-0.3 -3,-0.8 -3,-0.2 0.907 62.9 129.7 61.9 45.1 45.8 56.1 -3.4 100 112 A L < - 0 0 15 -5,-1.9 -1,-0.2 -6,-0.1 3,-0.1 -0.882 63.4-142.5-127.8 158.9 42.9 53.8 -2.6 101 113 A D S S- 0 0 146 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.667 90.5 -3.3 -90.7 -22.7 39.4 53.2 -3.7 102 114 A Y - 0 0 43 -7,-0.1 2,-0.3 46,-0.0 -1,-0.3 -0.971 65.2-132.8-157.2 164.3 38.3 52.5 -0.1 103 115 A I E - g 0 148B 0 44,-1.9 46,-2.0 -2,-0.3 47,-0.3 -0.867 16.3-133.7-120.6 157.5 39.7 52.0 3.4 104 116 A D E S+ 0 0 17 -31,-1.5 46,-0.7 -2,-0.3 2,-0.4 0.803 88.0 17.8 -80.2 -29.4 39.0 49.2 5.8 105 117 A L E -fg 74 150B 0 -32,-1.8 -30,-2.4 44,-0.2 2,-0.5 -0.983 58.6-171.7-148.1 131.5 38.4 51.3 8.9 106 118 A Y E -fg 75 151B 0 44,-1.7 46,-2.4 -2,-0.4 2,-0.3 -0.982 17.1-164.1-126.9 119.1 37.6 55.0 9.4 107 119 A H E -fg 76 152B 0 -32,-2.3 -30,-2.7 -2,-0.5 2,-0.7 -0.767 31.0-118.7-106.5 149.1 37.7 56.4 12.9 108 120 A I E -fg 77 153B 0 44,-1.8 46,-1.7 -2,-0.3 -30,-0.1 -0.739 34.3-152.2 -71.5 118.8 36.4 59.5 14.7 109 121 A H S S- 0 0 15 -32,-1.9 -1,-0.2 -2,-0.7 -31,-0.1 0.940 73.3 -5.4 -68.1 -47.3 40.0 60.6 15.8 110 122 A W S S- 0 0 8 -33,-0.4 2,-1.7 2,-0.2 -1,-0.3 -0.985 71.7-121.3-143.5 142.4 38.7 62.5 18.8 111 123 A P S S+ 0 0 3 0, 0.0 2,-0.3 0, 0.0 19,-0.2 -0.221 84.0 90.7 -80.3 50.9 35.1 63.1 19.9 112 124 A F - 0 0 1 -2,-1.7 2,-0.4 17,-0.1 -2,-0.2 -0.997 69.4-134.3-144.0 137.7 35.5 66.9 19.8 113 125 A R E -K 128 0C 81 15,-1.0 15,-2.4 -2,-0.3 2,-0.4 -0.775 20.0-160.6 -94.0 140.0 34.9 69.4 17.0 114 126 A L E -K 127 0C 9 -35,-1.3 13,-0.2 -2,-0.4 -32,-0.2 -0.932 21.3-114.7-117.8 145.0 37.6 72.1 16.4 115 127 A K > - 0 0 102 11,-2.7 3,-1.8 -2,-0.4 -35,-0.1 -0.385 47.8 -87.6 -69.5 151.9 37.1 75.3 14.6 116 128 A D T 3 S+ 0 0 96 1,-0.3 -1,-0.1 -36,-0.1 -35,-0.0 -0.372 117.8 20.3 -58.2 141.6 39.1 75.7 11.4 117 129 A G T 3 S+ 0 0 60 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.660 87.5 167.5 72.9 15.0 42.5 77.1 12.2 118 130 A A < - 0 0 28 -3,-1.8 2,-0.2 8,-0.1 -1,-0.2 -0.293 25.1-136.0 -60.9 149.7 42.2 76.1 15.8 119 131 A H - 0 0 98 2,-0.1 -1,-0.1 169,-0.0 4,-0.0 -0.582 20.1 -90.8-104.2 167.6 45.5 76.4 17.8 120 132 A M S S+ 0 0 126 1,-0.2 168,-0.2 -2,-0.2 167,-0.1 -0.982 121.4 28.0-120.6 113.6 47.3 74.1 20.3 121 133 A P S S- 0 0 73 0, 0.0 -1,-0.2 0, 0.0 167,-0.2 0.647 115.6-114.6 -75.3 158.0 46.4 74.8 23.0 122 134 A P - 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0 0 20 1,-0.2 5,-0.2 2,-0.2 -5,-0.0 -0.155 55.2 -63.7 58.6-159.2 54.8 55.9 22.8 208 220 A S T >4 S+ 0 0 76 2,-0.1 3,-1.3 1,-0.1 -1,-0.2 0.872 133.5 60.3 -87.4 -35.1 58.1 57.8 23.0 209 221 A E T 34 S+ 0 0 109 1,-0.3 -2,-0.2 73,-0.0 -1,-0.1 0.830 124.6 16.0 -60.9 -39.1 57.1 60.0 25.9 210 222 A K T 3< S+ 0 0 93 -4,-2.1 -1,-0.3 70,-0.1 -3,-0.2 -0.170 88.6 175.4-126.4 39.1 56.5 57.2 28.4 211 223 A N < - 0 0 73 -3,-1.3 3,-0.3 1,-0.1 -5,-0.2 -0.170 17.8-162.2 -52.8 135.0 58.3 54.5 26.5 212 224 A L > + 0 0 2 -7,-2.9 3,-1.9 1,-0.2 6,-0.2 0.403 63.8 99.4-102.6 0.9 58.4 51.3 28.5 213 225 A A T 3 S+ 0 0 23 -8,-0.4 -1,-0.2 1,-0.3 17,-0.1 0.793 92.3 41.2 -62.3 -25.7 61.1 49.4 26.7 214 226 A H T 3 S+ 0 0 156 -3,-0.3 -1,-0.3 15,-0.1 -2,-0.1 0.232 84.3 124.8-104.0 14.3 63.6 50.5 29.4 215 227 A D <> - 0 0 25 -3,-1.9 4,-2.9 1,-0.1 3,-0.3 -0.599 62.3-136.0 -75.6 129.8 61.2 49.9 32.3 216 228 A P H > S+ 0 0 93 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.804 103.0 53.0 -55.1 -34.7 62.8 47.6 34.9 217 229 A V H > S+ 0 0 50 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.931 113.8 42.0 -68.2 -44.1 59.5 45.6 35.3 218 230 A V H > S+ 0 0 0 -3,-0.3 4,-2.8 -6,-0.2 -1,-0.2 0.879 113.3 54.3 -68.5 -39.9 59.2 45.0 31.6 219 231 A E H X S+ 0 0 74 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.894 104.8 54.1 -61.7 -40.1 63.0 44.3 31.3 220 232 A K H X S+ 0 0 142 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.927 111.9 43.7 -62.2 -44.3 62.7 41.6 34.0 221 233 A V H X S+ 0 0 2 -4,-1.6 4,-1.4 1,-0.2 3,-0.3 0.947 113.2 52.0 -65.3 -46.8 60.0 39.8 32.1 222 234 A A H X>S+ 0 0 1 -4,-2.8 5,-2.0 1,-0.2 4,-1.1 0.912 106.8 52.8 -57.9 -43.9 61.8 40.2 28.8 223 235 A N H <5S+ 0 0 129 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.860 108.0 50.8 -62.9 -32.7 65.1 38.7 30.1 224 236 A K H <5S+ 0 0 108 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.768 117.1 39.7 -76.2 -23.5 63.3 35.6 31.4 225 237 A L H <5S- 0 0 41 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.479 105.0-125.8-101.3 -4.1 61.6 35.0 28.1 226 238 A N T <5S+ 0 0 148 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.942 70.4 123.6 57.0 46.5 64.6 35.9 25.9 227 239 A K < - 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0 0 0 -5,-2.0 -1,-0.3 -44,-0.1 -42,-0.2 -0.779 63.9-117.9-110.8 156.0 43.2 43.7 21.7 243 255 A S E - j 0 200B 0 -44,-2.2 -42,-2.9 -2,-0.3 2,-0.3 -0.461 36.6-149.4 -79.0 172.7 44.7 44.3 18.3 244 256 A V E -bj 15 201B 0 -230,-2.7 -228,-2.5 -44,-0.2 -42,-0.2 -1.000 18.1-161.7-152.2 141.0 47.9 46.4 18.6 245 257 A I - 0 0 8 -44,-1.6 -42,-0.3 -2,-0.3 -228,-0.1 -0.471 13.7-173.8-130.6 68.5 49.6 49.0 16.4 246 258 A P - 0 0 0 0, 0.0 -228,-2.3 0, 0.0 2,-0.4 -0.297 14.3-144.3 -62.2 140.2 53.2 49.6 17.4 247 259 A K B +d 18 0B 84 -230,-0.2 2,-0.3 -228,-0.0 -228,-0.1 -0.879 28.8 153.4-107.7 135.3 55.1 52.4 15.5 248 260 A S - 0 0 9 -230,-0.6 -226,-0.1 -2,-0.4 0, 0.0 -0.959 33.0-158.6-151.0 147.3 58.7 52.4 14.4 249 261 A S S S+ 0 0 40 -2,-0.3 2,-0.5 -228,-0.1 3,-0.1 0.259 74.7 92.6-103.0 7.5 60.5 54.2 11.6 250 262 A K S >> S- 0 0 114 1,-0.1 4,-2.5 -221,-0.0 3,-0.5 -0.893 70.1-145.9-105.2 123.2 63.3 51.6 11.8 251 263 A D H 3> S+ 0 0 50 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.894 99.9 55.8 -52.8 -42.1 63.2 48.5 9.6 252 264 A E H 3> S+ 0 0 168 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.890 112.5 41.1 -58.6 -41.6 64.9 46.4 12.3 253 265 A R H <> S+ 0 0 124 -3,-0.5 4,-3.1 2,-0.2 -1,-0.2 0.846 108.4 59.3 -76.3 -34.5 62.2 47.3 14.9 254 266 A I H < S+ 0 0 0 -4,-2.5 4,-0.4 2,-0.2 -2,-0.2 0.937 112.9 40.9 -57.8 -44.4 59.4 47.0 12.4 255 267 A K H >< S+ 0 0 64 -4,-2.2 3,-1.3 -5,-0.2 4,-0.4 0.931 114.5 52.1 -67.0 -46.7 60.5 43.3 12.0 256 268 A E H >< S+ 0 0 51 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.879 102.5 61.4 -54.3 -43.1 61.1 42.9 15.7 257 269 A N T 3< S+ 0 0 5 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.589 102.8 47.9 -67.0 -13.3 57.6 44.1 16.6 258 270 A I T < S+ 0 0 19 -3,-1.3 2,-1.9 -4,-0.4 -1,-0.3 0.428 80.0 97.0-108.4 2.9 55.8 41.5 14.8 259 271 A Q < + 0 0 101 -3,-1.4 -1,-0.1 -4,-0.4 -3,-0.1 -0.362 53.1 112.7 -84.9 60.7 57.7 38.4 16.1 260 272 A V + 0 0 0 -2,-1.9 2,-0.4 -26,-0.1 -1,-0.2 0.011 47.3 89.5-123.4 25.5 55.0 38.0 18.7 261 273 A F S S+ 0 0 86 -3,-0.2 3,-0.1 1,-0.1 -26,-0.0 -0.933 72.6 40.5-122.7 145.8 53.4 34.7 17.7 262 274 A G S S+ 0 0 86 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.650 108.1 56.5 94.9 10.4 54.4 31.2 18.9 263 275 A W - 0 0 45 -3,-0.2 2,-0.3 2,-0.0 -1,-0.3 -0.963 63.8-150.5-160.8 167.1 55.1 32.1 22.5 264 276 A E - 0 0 139 -2,-0.3 -28,-0.1 -3,-0.1 -3,-0.0 -0.927 25.7-107.7-142.0 163.9 53.3 33.6 25.5 265 277 A I - 0 0 1 -2,-0.3 5,-0.1 -30,-0.1 -44,-0.0 -0.846 48.2-112.0 -91.4 125.3 54.0 35.7 28.6 266 278 A P >> - 0 0 45 0, 0.0 4,-2.5 0, 0.0 3,-0.7 -0.255 27.2-113.2 -56.2 146.0 53.5 33.3 31.6 267 279 A E H 3> S+ 0 0 131 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.850 114.8 55.5 -50.2 -44.7 50.5 34.3 33.7 268 280 A E H 3> S+ 0 0 133 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.891 113.4 42.2 -59.8 -37.8 52.5 35.4 36.8 269 281 A D H <> S+ 0 0 11 -3,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.841 110.9 55.2 -77.2 -34.0 54.5 37.8 34.6 270 282 A F H X S+ 0 0 28 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.926 108.9 49.4 -62.5 -40.7 51.4 38.9 32.8 271 283 A K H X S+ 0 0 135 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.854 106.8 54.4 -66.8 -35.7 49.9 39.8 36.2 272 284 A V H X S+ 0 0 68 -4,-1.4 4,-0.5 2,-0.2 -1,-0.2 0.911 109.8 47.7 -63.6 -42.4 53.0 41.8 37.2 273 285 A L H >< S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.2 -91,-0.3 0.906 110.8 51.2 -65.0 -41.0 52.6 43.9 34.1 274 286 A C H 3< S+ 0 0 31 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.743 102.7 63.1 -66.0 -23.8 48.9 44.3 34.8 275 287 A S H 3< S+ 0 0 89 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.610 70.1 112.0 -77.7 -16.0 49.8 45.5 38.4 276 288 A I S << S- 0 0 27 -3,-1.0 -94,-0.7 -4,-0.5 -93,-0.0 -0.434 84.3-101.3 -59.7 125.9 51.7 48.5 37.3 277 289 A K > - 0 0 132 -2,-0.2 2,-0.9 1,-0.1 3,-0.6 -0.209 28.5-116.5 -56.1 138.6 49.5 51.4 38.5 278 290 A D T 3 S+ 0 0 55 1,-0.2 -95,-0.2 -3,-0.1 -1,-0.1 -0.676 84.2 94.7 -79.7 105.2 47.3 53.1 35.9 279 291 A E T 3 + 0 0 126 -97,-2.1 2,-1.7 -2,-0.9 -1,-0.2 0.272 48.7 101.3-164.4 -13.6 48.6 56.7 35.8 280 292 A K < + 0 0 62 -98,-1.9 2,-0.5 -3,-0.6 -70,-0.1 -0.391 47.2 160.8 -80.7 58.0 51.0 56.7 32.9 281 293 A R - 0 0 32 -2,-1.7 3,-0.2 1,-0.2 -98,-0.1 -0.729 22.3-173.9 -91.4 129.3 48.8 58.3 30.3 282 294 A V S S+ 0 0 23 -2,-0.5 2,-0.7 1,-0.2 -1,-0.2 0.898 74.3 44.3 -82.4 -46.1 50.6 59.8 27.3 283 295 A L + 0 0 49 1,-0.2 -1,-0.2 2,-0.1 -105,-0.1 -0.833 52.3 155.1-110.7 101.1 47.6 61.4 25.5 284 296 A T - 0 0 29 -2,-0.7 -1,-0.2 -3,-0.2 19,-0.1 0.669 51.3-129.1 -94.7 -16.9 45.3 63.4 27.8 285 297 A G >> + 0 0 8 3,-0.0 4,-2.6 18,-0.0 3,-0.7 0.478 69.6 128.3 81.5 3.3 44.1 65.7 25.0 286 298 A E H 3> S+ 0 0 77 1,-0.2 4,-1.8 2,-0.2 11,-0.1 0.904 70.7 49.5 -62.1 -41.3 44.8 68.7 27.2 287 299 A E H 34 S+ 0 0 122 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.695 117.7 42.4 -72.6 -15.3 46.9 70.5 24.5 288 300 A L H <4 S+ 0 0 23 -3,-0.7 -2,-0.2 -167,-0.2 -1,-0.2 0.829 132.1 10.5 -94.7 -37.3 44.2 69.9 22.0 289 301 A F H < S+ 0 0 0 -4,-2.6 8,-0.5 -168,-0.1 2,-0.5 0.552 94.9 97.6-126.4 -6.1 41.0 70.7 23.9 290 302 A V B < +m 297 0E 21 -4,-1.8 2,-0.4 -5,-0.4 8,-0.2 -0.749 26.5 162.7 -98.1 128.7 41.5 72.3 27.3 291 303 A N > - 0 0 27 6,-2.4 4,-2.5 -2,-0.5 8,-0.1 -0.913 14.7-171.4-133.0 101.4 41.3 76.1 27.8 292 304 A K T 4 S+ 0 0 160 -2,-0.4 -1,-0.1 1,-0.2 6,-0.1 0.839 80.7 56.1 -69.6 -25.1 40.9 76.5 31.6 293 305 A T T 4 S+ 0 0 102 1,-0.1 -1,-0.2 2,-0.1 5,-0.1 0.919 129.0 8.2 -71.7 -40.9 40.2 80.2 31.4 294 306 A H T 4 S+ 0 0 114 1,-0.2 -2,-0.2 3,-0.1 -1,-0.1 0.555 98.1 176.0-119.3 -11.9 37.2 80.0 29.0 295 307 A G < + 0 0 5 -4,-2.5 -170,-0.4 2,-0.3 -168,-0.2 -0.271 59.3 173.7 75.8-166.1 36.3 76.3 28.6 296 308 A P S S+ 0 0 76 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.984 106.9 26.7 -69.9 -15.2 34.4 74.3 27.5 297 309 A Y B +m 290 0E 47 -8,-0.5 -6,-2.4 1,-0.1 -2,-0.3 -0.950 63.3 176.7-113.4 121.9 36.9 71.8 28.9 298 310 A R + 0 0 127 -2,-0.6 2,-0.3 -8,-0.2 -1,-0.1 0.403 65.0 8.5-104.3 0.9 38.9 73.0 31.9 299 311 A S S > S- 0 0 18 1,-0.1 4,-1.4 -8,-0.1 3,-0.4 -0.969 81.4 -95.4-167.5 166.9 41.0 69.9 32.7 300 312 A A H > S+ 0 0 6 -2,-0.3 4,-1.9 1,-0.2 3,-0.2 0.883 121.7 61.4 -62.0 -36.1 41.8 66.5 31.4 301 313 A R H 4>S+ 0 0 139 1,-0.2 5,-2.8 2,-0.2 6,-0.3 0.895 100.6 53.4 -59.7 -36.3 39.0 65.1 33.6 302 314 A D H >45S+ 0 0 39 -3,-0.4 3,-1.1 1,-0.2 -1,-0.2 0.895 106.5 52.7 -64.4 -37.0 36.5 67.2 31.7 303 315 A V H 3<5S+ 0 0 2 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.874 114.5 42.0 -64.2 -35.9 37.8 65.7 28.4 304 316 A W T ><5S- 0 0 6 -4,-1.9 3,-1.8 4,-0.1 -1,-0.2 0.130 112.8-113.6-101.2 19.7 37.3 62.2 29.8 305 317 A D T < 5 - 0 0 55 -3,-1.1 -3,-0.2 1,-0.3 -4,-0.1 0.813 64.4 -72.2 54.0 35.4 33.9 62.8 31.4 306 318 A H T 3