==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-JAN-04 1S1R . COMPND 2 MOLECULE: ALDO-KETO REDUCTASE FAMILY 1 MEMBER C3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.L.LOVERING,J.P.RIDE,C.M.BUNCE,J.C.DESMOND,S.M.CUMMINGS, . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14318.0 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 . 89 28.2 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 3 0 0 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 6 A Q 0 0 167 0, 0.0 12,-2.3 0, 0.0 13,-0.4 0.000 360.0 360.0 360.0-179.6 51.9 -29.0 45.6 2 7 A C E -A 12 0A 67 10,-0.3 2,-0.4 11,-0.1 8,-0.0 -0.793 360.0-134.0-127.1 162.7 51.7 -25.3 46.3 3 8 A V E -A 11 0A 46 8,-2.4 8,-2.5 -2,-0.3 2,-0.5 -0.967 27.0-122.5-117.0 140.2 51.4 -21.9 44.5 4 9 A K E -A 10 0A 128 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.730 29.4-141.4 -82.2 123.3 53.6 -19.0 45.6 5 10 A L > - 0 0 4 4,-3.3 3,-2.0 -2,-0.5 201,-0.1 -0.371 25.6-103.2 -80.4 165.4 51.4 -16.0 46.5 6 11 A N T 3 S+ 0 0 43 199,-0.4 174,-0.1 1,-0.3 -1,-0.1 0.486 121.2 56.2 -73.2 -2.8 52.2 -12.4 45.6 7 12 A D T 3 S- 0 0 44 2,-0.2 -1,-0.3 172,-0.1 3,-0.1 0.310 122.1-103.8-104.2 6.0 53.3 -11.7 49.3 8 13 A G S < S+ 0 0 35 -3,-2.0 -2,-0.1 1,-0.3 2,-0.1 0.267 83.1 121.2 94.0 -9.6 55.8 -14.6 49.2 9 14 A H - 0 0 69 147,-0.1 -4,-3.3 -5,-0.1 2,-0.4 -0.421 59.3-121.4 -82.6 163.1 53.8 -17.1 51.2 10 15 A F E -A 4 0A 124 -6,-0.2 -6,-0.2 -2,-0.1 -1,-0.0 -0.886 19.9-165.6-115.1 136.3 52.8 -20.6 49.8 11 16 A M E -A 3 0A 0 -8,-2.5 -8,-2.4 -2,-0.4 2,-0.1 -0.974 25.8-120.4-120.6 125.2 49.3 -22.0 49.4 12 17 A P E -A 2 0A 21 0, 0.0 -10,-0.3 0, 0.0 29,-0.0 -0.443 20.5-136.2 -62.3 136.6 48.5 -25.6 48.8 13 18 A V S S+ 0 0 11 -12,-2.3 249,-2.4 -2,-0.1 2,-0.5 0.617 89.3 60.9 -77.1 -13.4 46.6 -25.9 45.5 14 19 A L E S-b 262 0B 10 -13,-0.4 29,-0.7 247,-0.2 28,-0.5 -0.974 71.1-175.5-112.1 126.8 44.0 -28.3 46.9 15 20 A G E -bc 263 43B 0 247,-2.7 249,-1.4 -2,-0.5 2,-0.5 -0.920 23.4-126.0-123.6 149.7 41.9 -27.2 49.9 16 21 A F E -bc 264 44B 1 27,-2.8 29,-2.8 -2,-0.3 2,-0.4 -0.812 21.3-141.1 -93.4 126.3 39.3 -28.8 52.1 17 22 A G E -bc 265 45B 7 247,-1.6 249,-0.5 -2,-0.5 29,-0.1 -0.748 16.6-175.3 -89.0 129.8 35.9 -27.1 52.4 18 23 A T + 0 0 0 27,-1.6 2,-0.3 -2,-0.4 -1,-0.1 0.483 39.5 118.8-107.5 -5.2 34.4 -27.2 55.9 19 24 A Y + 0 0 43 26,-0.2 -2,-0.1 27,-0.1 32,-0.1 -0.496 29.6 165.1 -69.7 127.5 31.0 -25.7 55.4 20 25 A A - 0 0 2 -2,-0.3 9,-0.0 30,-0.3 -2,-0.0 -0.979 43.0 -97.5-130.7 147.3 28.0 -27.8 56.2 21 26 A P > - 0 0 15 0, 0.0 3,-2.2 0, 0.0 29,-0.0 -0.190 40.5-102.4 -60.7 158.1 24.5 -26.5 56.7 22 27 A P T 3 S+ 0 0 84 0, 0.0 4,-0.1 0, 0.0 28,-0.0 0.667 116.2 70.1 -60.3 -19.0 23.3 -25.9 60.3 23 28 A E T 3 S+ 0 0 146 2,-0.1 3,-0.0 3,-0.0 0, 0.0 0.724 81.6 87.2 -71.2 -20.5 21.2 -29.2 60.4 24 29 A V S < S- 0 0 39 -3,-2.2 -4,-0.1 1,-0.1 5,-0.1 -0.678 95.7-106.3 -78.3 126.6 24.5 -31.1 60.4 25 30 A P > - 0 0 83 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.239 22.0-124.8 -54.7 141.3 25.7 -31.6 64.0 26 31 A R T >> S+ 0 0 63 1,-0.3 3,-1.0 2,-0.2 4,-0.7 0.800 105.7 68.5 -58.9 -32.2 28.7 -29.4 64.9 27 32 A S H 3> S+ 0 0 81 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.725 86.3 69.6 -60.1 -23.9 30.8 -32.4 66.0 28 33 A K H <> S+ 0 0 74 -3,-1.6 4,-2.8 1,-0.2 5,-0.3 0.853 89.8 59.9 -65.8 -37.6 31.0 -33.6 62.4 29 34 A A H <> S+ 0 0 3 -3,-1.0 4,-1.8 -4,-0.4 -1,-0.2 0.867 105.5 50.1 -56.4 -40.2 33.3 -30.8 61.3 30 35 A L H X S+ 0 0 38 -4,-0.7 4,-1.8 -3,-0.2 -2,-0.2 0.950 112.9 45.4 -61.1 -52.3 35.8 -32.0 63.9 31 36 A E H X S+ 0 0 93 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.935 116.9 42.6 -57.3 -51.8 35.6 -35.6 62.6 32 37 A V H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.808 109.8 55.5 -75.3 -28.7 35.8 -34.9 58.9 33 38 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.907 109.1 48.4 -70.8 -38.8 38.6 -32.2 59.2 34 39 A K H X S+ 0 0 70 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.916 112.0 50.0 -61.6 -43.2 40.8 -34.7 61.0 35 40 A L H X S+ 0 0 29 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.871 109.0 52.2 -63.0 -38.2 40.0 -37.3 58.3 36 41 A A H X>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 4,-1.0 0.936 110.9 46.0 -62.9 -48.5 40.9 -34.7 55.6 37 42 A I H ><5S+ 0 0 3 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.930 112.1 51.8 -60.6 -45.1 44.3 -34.0 57.2 38 43 A E H 3<5S+ 0 0 111 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.841 108.0 52.5 -59.6 -34.9 44.8 -37.7 57.6 39 44 A A H 3<5S- 0 0 27 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.651 131.8 -91.5 -73.9 -19.8 44.0 -38.2 53.8 40 45 A G T <<5S+ 0 0 38 -4,-1.0 -3,-0.2 -3,-0.9 2,-0.2 0.364 75.9 142.6 124.1 -4.2 46.6 -35.5 52.9 41 46 A F < + 0 0 3 -5,-2.5 -1,-0.4 1,-0.2 -26,-0.1 -0.490 13.7 168.3 -63.9 135.8 44.7 -32.2 52.8 42 47 A R + 0 0 82 -28,-0.5 33,-3.1 -2,-0.2 2,-0.5 0.513 58.7 73.4-120.6 -18.5 46.9 -29.4 54.2 43 48 A H E -cd 15 75B 2 -29,-0.7 -27,-2.8 31,-0.2 2,-0.4 -0.876 64.0-172.9-103.8 125.8 44.8 -26.4 53.1 44 49 A I E -cd 16 76B 0 31,-2.9 33,-2.9 -2,-0.5 2,-0.6 -0.990 8.6-155.5-130.2 125.6 41.6 -25.9 55.2 45 50 A D E +cd 17 77B 4 -29,-2.8 -27,-1.6 -2,-0.4 -26,-0.2 -0.887 27.3 144.4-112.6 115.9 38.9 -23.4 54.5 46 51 A S - 0 0 0 31,-2.4 2,-0.3 -2,-0.6 3,-0.1 -0.595 21.0-164.9-129.0-167.1 36.6 -22.1 57.2 47 52 A A > > - 0 0 0 31,-0.2 3,-1.1 -2,-0.2 5,-0.5 -0.914 39.4-106.6-176.4 150.9 34.8 -18.8 58.1 48 53 A H G > 5S+ 0 0 33 31,-1.4 3,-1.7 -2,-0.3 5,-0.2 0.928 118.4 61.9 -48.6 -46.1 33.0 -17.0 60.9 49 54 A L G 3 5S+ 0 0 51 30,-0.3 -1,-0.2 1,-0.3 74,-0.1 0.781 93.4 63.4 -51.4 -31.9 29.8 -17.6 58.9 50 55 A Y G < 5S- 0 0 25 -3,-1.1 -30,-0.3 1,-0.1 -1,-0.3 0.623 90.8-143.4 -78.2 -15.1 30.2 -21.4 59.1 51 56 A N T < 5S+ 0 0 89 -3,-1.7 -3,-0.1 -4,-0.4 -2,-0.1 0.889 76.4 96.9 52.4 42.7 29.9 -21.6 62.9 52 57 A N >< + 0 0 2 -5,-0.5 4,-2.9 -4,-0.1 3,-0.3 0.277 35.2 108.9-139.5 8.8 32.5 -24.3 63.0 53 58 A E H > S+ 0 0 1 -6,-0.3 4,-2.3 1,-0.2 5,-0.2 0.815 79.6 57.3 -65.7 -28.5 35.8 -22.6 63.7 54 59 A E H > S+ 0 0 73 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.932 114.6 38.3 -62.6 -44.0 35.9 -24.2 67.2 55 60 A Q H > S+ 0 0 47 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.878 117.1 48.6 -75.3 -42.0 35.7 -27.6 65.7 56 61 A V H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.903 112.7 49.1 -66.6 -42.4 37.9 -27.0 62.7 57 62 A G H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.908 110.6 50.6 -62.7 -42.7 40.6 -25.4 64.9 58 63 A L H X S+ 0 0 65 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.867 107.4 53.9 -63.5 -37.0 40.4 -28.4 67.3 59 64 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.938 111.5 45.5 -63.2 -45.4 40.8 -30.8 64.3 60 65 A I H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 3,-0.3 0.962 115.9 44.8 -59.6 -52.4 44.0 -29.0 63.3 61 66 A R H X S+ 0 0 65 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.776 110.3 55.5 -67.8 -28.1 45.4 -28.8 66.8 62 67 A S H X S+ 0 0 30 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.843 106.8 49.8 -68.9 -38.8 44.5 -32.5 67.4 63 68 A K H <>S+ 0 0 8 -4,-1.7 6,-1.9 -3,-0.3 5,-1.2 0.689 113.8 47.0 -74.2 -19.9 46.5 -33.5 64.4 64 69 A I H ><5S+ 0 0 55 -4,-1.2 3,-1.4 4,-0.2 -2,-0.2 0.905 113.5 47.2 -77.7 -49.3 49.3 -31.4 65.8 65 70 A A H 3<5S+ 0 0 89 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.766 109.3 54.1 -63.6 -30.4 49.0 -32.9 69.3 66 71 A D T 3<5S- 0 0 86 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.1 0.451 117.3-112.7 -87.7 -0.1 48.8 -36.4 67.9 67 72 A G T < 5S+ 0 0 66 -3,-1.4 -3,-0.2 2,-0.3 -2,-0.1 0.471 85.1 115.3 92.0 4.7 52.1 -35.9 66.0 68 73 A S S > - 0 0 127 -2,-0.3 3,-1.6 1,-0.1 4,-0.6 -0.781 37.3-106.7-109.5 162.3 53.0 -29.2 62.7 71 76 A R G >4 S+ 0 0 39 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.885 119.8 59.9 -54.8 -41.1 51.3 -25.8 62.6 72 77 A E G 34 S+ 0 0 146 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.640 98.8 58.8 -64.3 -16.8 53.6 -24.7 59.7 73 78 A D G <4 S+ 0 0 68 -3,-1.6 2,-0.4 2,-0.0 -1,-0.3 0.627 94.9 77.1 -84.2 -20.7 52.3 -27.7 57.5 74 79 A I << - 0 0 2 -3,-1.4 2,-0.6 -4,-0.6 -31,-0.2 -0.789 64.1-156.8 -96.6 137.6 48.7 -26.5 57.7 75 80 A F E -d 43 0B 10 -33,-3.1 -31,-2.9 -2,-0.4 2,-0.5 -0.957 20.7-168.6-108.4 107.7 47.3 -23.6 55.6 76 81 A Y E -d 44 0B 0 -2,-0.6 32,-1.8 -33,-0.2 31,-1.7 -0.883 4.0-167.6-110.2 124.7 44.3 -22.3 57.5 77 82 A T E +de 45 108B 0 -33,-2.9 -31,-2.4 -2,-0.5 2,-0.3 -0.892 10.6 168.1-110.0 134.4 41.8 -19.9 56.0 78 83 A S E - e 0 109B 0 30,-2.4 32,-1.9 -2,-0.4 2,-0.4 -0.875 20.5-135.2-131.4 177.4 39.0 -17.9 57.7 79 84 A K E - e 0 110B 0 -2,-0.3 -31,-1.4 30,-0.2 2,-0.5 -0.990 14.2-120.6-140.4 138.9 36.9 -15.0 56.5 80 85 A L E - e 0 111B 0 30,-3.0 32,-2.1 -2,-0.4 33,-0.4 -0.635 38.1-129.8 -71.0 121.4 35.6 -11.7 57.8 81 86 A W > - 0 0 27 -2,-0.5 3,-2.0 30,-0.1 12,-0.1 -0.405 18.8-111.1 -78.7 159.0 31.8 -11.8 57.8 82 87 A S G > S+ 0 0 1 1,-0.3 35,-2.4 2,-0.2 3,-0.7 0.569 112.4 66.1 -75.6 -15.7 29.8 -9.0 56.2 83 88 A T G 3 S+ 0 0 5 1,-0.2 -1,-0.3 33,-0.2 37,-0.2 0.427 102.1 53.0 -75.4 -3.7 28.4 -7.6 59.4 84 89 A F G < + 0 0 50 -3,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.016 69.2 114.3-121.4 25.1 32.0 -6.6 60.3 85 90 A H < + 0 0 2 -3,-0.7 5,-0.1 32,-0.3 -1,-0.1 0.816 45.4 102.4 -70.3 -32.2 33.0 -4.6 57.2 86 91 A R S > S- 0 0 97 1,-0.1 3,-2.5 -3,-0.1 4,-0.5 -0.349 83.8-123.4 -53.8 129.3 33.4 -1.3 59.1 87 92 A P G >> S+ 0 0 48 0, 0.0 3,-1.0 0, 0.0 4,-0.6 0.761 107.1 59.6 -52.5 -34.6 37.2 -1.0 59.5 88 93 A E G 34 S+ 0 0 127 1,-0.2 -2,-0.1 2,-0.1 -3,-0.1 0.607 106.7 48.1 -70.4 -14.9 37.0 -0.7 63.4 89 94 A L G <> S+ 0 0 55 -3,-2.5 4,-2.2 -5,-0.1 -1,-0.2 0.472 90.0 84.0-101.1 -5.2 35.4 -4.1 63.6 90 95 A V H <> S+ 0 0 0 -3,-1.0 4,-2.3 -4,-0.5 5,-0.2 0.963 92.8 41.7 -69.8 -51.8 37.8 -6.0 61.3 91 96 A R H X S+ 0 0 111 -4,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.922 114.7 50.6 -64.5 -47.0 40.5 -6.8 63.8 92 97 A P H > S+ 0 0 68 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.914 110.2 51.9 -52.1 -44.0 38.1 -7.7 66.7 93 98 A A H X S+ 0 0 12 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.933 110.6 47.6 -59.7 -45.9 36.3 -10.1 64.2 94 99 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.887 108.3 54.8 -60.7 -41.3 39.6 -11.7 63.4 95 100 A E H X S+ 0 0 87 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.871 105.6 52.9 -64.8 -33.7 40.5 -12.0 67.0 96 101 A N H X S+ 0 0 60 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.922 108.6 50.5 -62.2 -43.2 37.2 -13.9 67.6 97 102 A S H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.927 111.6 47.4 -61.2 -43.9 38.2 -16.3 64.8 98 103 A L H X>S+ 0 0 14 -4,-2.4 5,-1.7 1,-0.2 4,-1.1 0.887 111.7 50.8 -64.5 -41.0 41.6 -16.8 66.4 99 104 A K H <5S+ 0 0 158 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.896 110.8 48.5 -61.4 -44.8 40.0 -17.4 69.9 100 105 A K H <5S+ 0 0 33 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.943 118.7 38.3 -62.5 -47.6 37.6 -19.9 68.5 101 106 A A H <5S- 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.633 103.0-134.4 -78.2 -13.5 40.2 -21.9 66.7 102 107 A Q T <5 + 0 0 132 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.880 59.8 134.8 53.7 45.0 42.7 -21.3 69.5 103 108 A L < - 0 0 14 -5,-1.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.913 61.6-135.3-119.7 151.1 45.4 -20.4 67.0 104 109 A D S S- 0 0 144 -2,-0.3 2,-0.3 1,-0.2 -6,-0.1 0.741 85.6 -0.6 -73.4 -26.3 47.9 -17.5 67.0 105 110 A Y - 0 0 45 -7,-0.1 2,-0.4 50,-0.0 50,-0.2 -0.980 61.5-126.7-155.7 156.5 47.3 -16.7 63.4 106 111 A V E - f 0 155B 0 48,-2.2 50,-2.6 -2,-0.3 51,-0.2 -0.855 18.4-139.5 -98.6 149.0 45.4 -17.6 60.2 107 112 A D E S+ 0 0 19 -31,-1.7 50,-1.1 -2,-0.4 2,-0.3 0.807 91.0 19.5 -72.1 -30.4 47.4 -18.3 57.1 108 113 A L E -ef 77 157B 2 -32,-1.8 -30,-2.4 48,-0.2 2,-0.4 -0.993 61.3-171.6-144.7 133.9 44.7 -16.4 55.1 109 114 A Y E -ef 78 158B 1 48,-1.7 50,-2.0 -2,-0.3 2,-0.3 -0.996 17.5-170.0-123.6 126.2 42.0 -14.0 56.0 110 115 A L E -ef 79 159B 0 -32,-1.9 -30,-3.0 -2,-0.4 2,-0.8 -0.864 33.8-120.0-114.3 145.1 39.4 -13.0 53.4 111 116 A I E -ef 80 160B 0 48,-1.6 50,-1.0 -2,-0.3 -30,-0.1 -0.791 35.0-149.5 -69.3 115.2 36.7 -10.5 53.1 112 117 A H - 0 0 13 -32,-2.1 -1,-0.2 -2,-0.8 -31,-0.1 0.843 67.0 -7.4 -63.2 -34.1 34.0 -13.1 52.6 113 118 A S - 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0 0 23 1,-0.2 14,-0.1 2,-0.1 -29,-0.0 0.160 44.3 -79.6 69.4 169.5 27.8 -26.8 45.2 217 222 A Q - 0 0 81 2,-0.0 -1,-0.2 1,-0.0 6,-0.0 0.453 55.9-130.3 -83.7 -1.2 25.9 -28.5 48.0 218 223 A R - 0 0 63 -3,-0.2 2,-0.2 1,-0.2 -2,-0.1 0.819 34.1-172.3 55.6 38.2 22.6 -27.4 46.3 219 224 A D >> - 0 0 28 1,-0.1 4,-2.9 2,-0.0 3,-1.7 -0.420 26.6-133.2 -61.9 129.0 21.1 -26.0 49.5 220 225 A K T 34 S+ 0 0 180 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.693 100.7 70.8 -63.3 -21.7 17.5 -25.0 49.0 221 226 A R T 34 S+ 0 0 106 1,-0.1 -1,-0.3 3,-0.0 84,-0.2 0.863 124.2 3.6 -57.5 -35.3 18.1 -21.6 50.7 222 227 A W T <4 S+ 0 0 56 -3,-1.7 80,-2.4 1,-0.1 2,-0.4 0.600 115.1 74.5-129.2 -19.6 20.2 -20.5 47.6 223 228 A V S < S- 0 0 6 -4,-2.9 78,-0.1 78,-0.2 -1,-0.1 -0.888 70.2-128.0-115.9 129.9 20.2 -23.0 44.8 224 229 A D > - 0 0 77 -2,-0.4 3,-1.7 76,-0.4 -4,-0.0 -0.625 15.1-144.9 -68.8 120.2 17.4 -23.9 42.4 225 230 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.717 97.6 64.6 -62.3 -18.8 16.9 -27.7 42.5 226 231 A N T 3 S+ 0 0 140 2,-0.1 3,-0.1 3,-0.0 -2,-0.0 0.600 78.2 108.9 -75.7 -15.1 16.0 -27.6 38.8 227 232 A S S < S- 0 0 17 -3,-1.7 -4,-0.0 1,-0.1 73,-0.0 -0.292 86.5 -89.3 -60.8 149.4 19.6 -26.4 38.0 228 233 A P - 0 0 51 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.332 37.2-120.0 -65.1 142.1 21.8 -29.0 36.2 229 234 A V > - 0 0 46 1,-0.2 3,-1.4 -3,-0.1 4,-0.2 -0.755 19.7-151.4 -84.1 113.3 23.7 -31.3 38.6 230 235 A L G > S+ 0 0 1 -2,-0.7 3,-2.0 1,-0.3 6,-0.2 0.902 91.7 54.2 -52.3 -48.6 27.3 -30.7 37.7 231 236 A L G 3 S+ 0 0 62 -17,-0.4 -1,-0.3 1,-0.3 17,-0.1 0.586 103.3 57.3 -71.3 -9.3 28.5 -34.2 38.7 232 237 A E G < S+ 0 0 151 -3,-1.4 -1,-0.3 15,-0.1 -2,-0.2 0.317 77.0 132.8 -94.7 5.0 25.9 -35.8 36.4 233 238 A D <> - 0 0 6 -3,-2.0 4,-2.3 -4,-0.2 5,-0.2 -0.367 57.4-139.0 -64.0 128.9 27.3 -34.0 33.3 234 239 A P H > S+ 0 0 102 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.834 101.7 51.3 -59.8 -37.6 27.8 -36.4 30.4 235 240 A V H > S+ 0 0 49 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.934 111.5 47.0 -64.1 -44.1 31.1 -34.8 29.3 236 241 A L H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.886 113.2 50.4 -62.7 -36.6 32.5 -35.1 32.8 237 242 A C H X S+ 0 0 46 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.889 109.5 49.7 -68.7 -39.5 31.3 -38.7 33.0 238 243 A A H X S+ 0 0 59 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.856 112.4 47.5 -68.1 -36.7 32.9 -39.6 29.6 239 244 A L H X S+ 0 0 13 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.831 108.6 55.6 -73.3 -32.6 36.2 -38.1 30.8 240 245 A A H X>S+ 0 0 6 -4,-1.8 5,-2.5 -5,-0.2 4,-0.9 0.928 110.3 45.1 -63.0 -45.5 35.9 -40.0 34.0 241 246 A K H <5S+ 0 0 148 -4,-2.1 3,-0.5 3,-0.2 -2,-0.2 0.911 110.3 54.4 -65.0 -43.6 35.6 -43.3 32.1 242 247 A K H <5S+ 0 0 108 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.915 120.7 31.3 -53.9 -45.5 38.4 -42.4 29.8 243 248 A H H <5S- 0 0 40 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.454 107.1-120.7 -95.8 -2.2 40.8 -41.8 32.7 244 249 A K T <5S+ 0 0 168 -4,-0.9 -3,-0.2 -3,-0.5 2,-0.2 0.940 79.6 106.0 55.3 49.0 39.2 -44.4 35.1 245 250 A R S - 0 0 38 -2,-0.2 4,-1.9 -3,-0.1 3,-0.3 -0.901 31.2-105.9-128.3 159.3 35.2 -40.0 38.7 247 252 A P H > S+ 0 0 32 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.862 120.9 55.2 -49.9 -40.2 33.4 -36.8 37.5 248 253 A A H > S+ 0 0 12 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.910 106.8 49.1 -60.7 -45.0 34.4 -35.1 40.7 249 254 A L H > S+ 0 0 1 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.859 110.0 51.4 -64.0 -36.6 38.1 -35.8 40.1 250 255 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.927 109.6 49.9 -65.0 -44.6 37.8 -34.5 36.5 251 256 A A H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.816 113.7 45.9 -65.5 -32.4 36.3 -31.3 37.7 252 257 A L H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 3,-0.2 0.915 112.0 49.6 -75.0 -45.5 39.0 -30.8 40.3 253 258 A R H X S+ 0 0 35 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.861 103.5 61.6 -63.5 -37.7 41.9 -31.6 37.9 254 259 A Y H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.916 105.8 46.6 -50.4 -49.4 40.4 -29.1 35.4 255 260 A Q H ><>S+ 0 0 0 -4,-1.0 5,-2.5 -3,-0.2 3,-0.7 0.930 109.6 52.9 -64.1 -47.0 40.9 -26.3 37.9 256 261 A L H ><5S+ 0 0 28 -4,-1.8 3,-1.4 1,-0.2 -1,-0.2 0.904 108.1 51.1 -54.7 -40.8 44.5 -27.3 38.8 257 262 A Q H 3<5S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.722 106.2 55.6 -76.8 -16.1 45.5 -27.3 35.1 258 263 A R T <<5S- 0 0 20 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.368 121.6-106.5 -87.2 2.3 44.0 -23.8 34.7 259 264 A G T < 5S+ 0 0 51 -3,-1.4 2,-0.4 1,-0.3 -51,-0.4 0.676 77.0 139.2 76.6 18.6 46.2 -22.5 37.5 260 265 A V < - 0 0 2 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.3 -0.806 53.6-133.0 -95.2 132.4 43.2 -22.3 39.8 261 266 A V E - i 0 209B 2 -53,-2.3 -51,-3.3 -2,-0.4 2,-0.4 -0.729 31.9-150.9 -78.8 135.0 43.4 -23.3 43.4 262 267 A V E -bi 14 210B 0 -249,-2.4 -247,-2.7 -2,-0.4 2,-0.2 -0.924 13.5-154.8-125.2 131.7 40.5 -25.5 44.2 263 268 A L E -b 15 0B 11 -53,-2.4 2,-0.3 -2,-0.4 -50,-0.3 -0.651 9.3-169.3 -92.4 159.4 38.4 -26.3 47.3 264 269 A A E -b 16 0B 3 -249,-1.4 -247,-1.6 -2,-0.2 2,-0.5 -0.864 5.0-159.4-153.1 114.4 36.5 -29.5 47.8 265 270 A K E +b 17 0B 73 -2,-0.3 2,-0.3 -249,-0.2 -247,-0.1 -0.828 22.8 153.9 -95.2 128.2 34.0 -30.1 50.6 266 271 A S - 0 0 8 -249,-0.5 -230,-0.1 -2,-0.5 -2,-0.1 -0.942 27.8-173.6-146.9 140.5 33.1 -33.6 51.6 267 272 A Y + 0 0 34 -2,-0.3 2,-0.5 -234,-0.0 -234,-0.0 0.093 66.4 96.8-109.6 18.1 31.8 -34.9 54.9 268 273 A N S > S- 0 0 52 1,-0.1 4,-2.5 -236,-0.1 5,-0.2 -0.934 70.2-142.4-114.0 127.7 32.1 -38.5 53.6 269 274 A E H > S+ 0 0 98 -2,-0.5 4,-1.8 1,-0.2 5,-0.2 0.883 99.7 47.0 -56.6 -48.1 35.2 -40.6 54.5 270 275 A Q H > S+ 0 0 117 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.908 114.6 46.1 -62.7 -44.6 35.5 -42.4 51.2 271 276 A R H > S+ 0 0 124 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.876 108.0 56.8 -70.5 -35.7 35.0 -39.2 49.1 272 277 A I H X S+ 0 0 1 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.929 111.0 43.9 -55.4 -46.9 37.5 -37.2 51.2 273 278 A R H < S+ 0 0 125 -4,-1.8 4,-0.3 1,-0.2 3,-0.2 0.817 111.7 55.0 -70.0 -31.5 40.2 -39.9 50.4 274 279 A Q H >< S+ 0 0 36 -4,-1.7 3,-2.0 1,-0.2 -1,-0.2 0.902 98.3 63.0 -63.5 -41.0 39.1 -39.9 46.8 275 280 A N H >< S+ 0 0 5 -4,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.783 92.6 60.9 -66.6 -29.3 39.6 -36.2 46.3 276 281 A V G >< S+ 0 0 32 -4,-0.8 3,-1.2 1,-0.3 -1,-0.3 0.618 85.1 80.1 -69.9 -12.2 43.3 -36.2 47.0 277 282 A Q G X + 0 0 68 -3,-2.0 3,-2.1 -4,-0.3 4,-0.3 0.501 63.0 95.7 -72.0 -2.6 43.8 -38.5 44.0 278 283 A V G X S+ 0 0 0 -3,-1.3 3,-0.6 1,-0.3 -1,-0.2 0.765 79.8 57.0 -55.7 -27.4 43.5 -35.3 41.8 279 284 A F G < S+ 0 0 88 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.1 0.522 91.8 73.0 -81.4 -5.8 47.4 -35.3 41.9 280 285 A E G < S+ 0 0 121 -3,-2.1 2,-0.3 -4,-0.1 -1,-0.2 0.537 100.2 29.1 -90.6 -10.5 47.6 -38.8 40.4 281 286 A F < - 0 0 21 -3,-0.6 2,-0.3 -4,-0.3 -38,-0.0 -0.939 62.5-139.0-146.4 168.8 46.6 -38.0 36.8 282 287 A Q - 0 0 137 -2,-0.3 2,-0.3 -39,-0.0 -28,-0.1 -0.909 12.2-135.5-128.2 154.9 46.5 -35.4 34.0 283 288 A L - 0 0 5 -2,-0.3 2,-0.1 -30,-0.1 -44,-0.0 -0.835 25.1-124.1-104.3 147.0 44.0 -34.2 31.4 284 289 A T > - 0 0 57 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.357 29.3-101.8 -82.2 169.6 45.0 -33.6 27.8 285 290 A A H > S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.885 126.0 50.7 -55.7 -42.8 44.5 -30.4 25.8 286 291 A E H > S+ 0 0 140 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.890 108.8 50.7 -66.6 -40.2 41.5 -32.0 24.1 287 292 A D H > S+ 0 0 5 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.930 111.8 48.4 -58.7 -47.1 40.0 -33.0 27.5 288 293 A M H X S+ 0 0 23 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.851 109.1 52.4 -65.1 -37.8 40.5 -29.5 28.8 289 294 A K H X S+ 0 0 167 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.902 107.1 53.1 -64.1 -41.6 38.9 -28.0 25.7 290 295 A A H < S+ 0 0 44 -4,-2.0 4,-0.2 2,-0.2 -2,-0.2 0.904 111.5 45.5 -59.6 -41.9 35.8 -30.3 26.1 291 296 A I H >< S+ 0 0 0 -4,-1.8 3,-1.9 1,-0.2 4,-0.3 0.899 108.4 55.9 -70.1 -42.4 35.4 -29.1 29.7 292 297 A D H >< S+ 0 0 70 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.801 99.3 64.0 -55.3 -31.0 35.9 -25.4 28.7 293 298 A G T 3< S+ 0 0 63 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.609 88.3 70.0 -70.9 -12.3 33.0 -26.1 26.3 294 299 A L T < + 0 0 12 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.592 66.7 126.3 -79.2 -12.8 30.6 -26.7 29.2 295 300 A D < + 0 0 71 -3,-1.1 -104,-0.2 -4,-0.3 -103,-0.2 -0.208 20.8 157.9 -52.9 126.7 30.6 -23.0 30.3 296 301 A R - 0 0 124 -105,-1.2 -104,-0.2 2,-0.1 -1,-0.1 0.095 59.3-106.5-142.3 26.0 27.0 -21.7 30.6 297 302 A N + 0 0 114 1,-0.2 2,-0.8 0, 0.0 -105,-0.2 0.852 64.0 158.5 54.3 40.2 27.1 -18.7 33.0 298 303 A L - 0 0 28 -107,-2.7 2,-0.7 -71,-0.0 -1,-0.2 -0.836 22.3-176.4-104.8 100.9 25.5 -20.7 35.8 299 304 A H - 0 0 16 -2,-0.8 -107,-0.0 1,-0.2 15,-0.0 -0.878 14.3-156.8 -94.2 116.2 26.0 -19.5 39.3 300 305 A Y S S+ 0 0 2 -2,-0.7 2,-0.8 -88,-0.1 -76,-0.4 0.867 80.3 78.3 -57.9 -42.9 24.4 -21.9 41.7 301 306 A F + 0 0 51 -78,-0.1 -78,-0.2 -3,-0.1 2,-0.1 -0.643 60.4 145.6 -70.0 107.4 24.0 -19.3 44.3 302 307 A N + 0 0 88 -80,-2.4 2,-0.3 -2,-0.8 -1,-0.1 -0.623 14.8 142.2-155.8 78.7 21.0 -17.5 42.9 303 308 A S >> - 0 0 24 -2,-0.1 4,-1.9 1,-0.1 3,-1.1 -0.946 56.5-130.3-131.9 145.1 18.6 -16.0 45.5 304 309 A D H 3> S+ 0 0 134 -2,-0.3 4,-0.8 1,-0.2 -1,-0.1 0.764 102.4 78.5 -50.9 -32.4 16.4 -12.9 46.0 305 310 A S H 34 S+ 0 0 27 1,-0.2 -173,-2.0 -84,-0.2 -1,-0.2 0.817 116.5 8.9 -58.7 -32.3 18.1 -12.7 49.4 306 311 A F H X4 S+ 0 0 41 -3,-1.1 3,-1.6 -175,-0.1 -1,-0.2 0.518 105.4 89.0-120.7 -8.8 21.2 -11.2 47.9 307 312 A A H 3< S+ 0 0 37 -4,-1.9 -3,-0.1 1,-0.3 -2,-0.1 0.762 92.2 50.5 -62.8 -26.1 20.4 -10.4 44.2 308 313 A S T 3< S+ 0 0 77 -4,-0.8 -1,-0.3 3,-0.0 -2,-0.1 0.465 81.2 118.9 -90.2 -2.1 19.1 -6.9 45.2 309 314 A H S X S- 0 0 16 -3,-1.6 3,-1.9 1,-0.1 -3,-0.1 -0.418 70.1-129.4 -63.6 134.9 22.2 -6.0 47.2 310 315 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -195,-0.1 0.769 108.9 45.6 -54.0 -31.0 24.0 -2.9 45.8 311 316 A N T 3 S+ 0 0 50 -195,-0.1 -196,-0.1 -197,-0.0 -2,-0.1 0.145 75.4 144.2-102.1 15.2 27.3 -4.8 45.7 312 317 A Y < - 0 0 31 -3,-1.9 -5,-0.1 1,-0.1 -149,-0.0 -0.376 43.9-147.9 -50.7 121.4 26.0 -8.0 44.2 313 318 A P + 0 0 11 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.700 65.9 82.1 -74.8 -20.2 28.9 -9.1 42.0 314 319 A Y - 0 0 31 -150,-0.1 2,-0.7 2,-0.0 -2,-0.0 -0.572 67.1-141.1 -95.2 151.5 26.9 -10.8 39.2 315 320 A S 0 0 119 -2,-0.2 -1,-0.0 1,-0.1 0, 0.0 -0.918 360.0 360.0-109.3 105.3 25.2 -9.2 36.2 316 321 A D 0 0 124 -2,-0.7 -1,-0.1 -9,-0.1 -9,-0.0 0.458 360.0 360.0-106.4 360.0 21.9 -11.2 35.8