==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 21-MAY-12 4FA3 . COMPND 2 MOLECULE: ALDO-KETO REDUCTASE FAMILY 1 MEMBER C3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.P.TURNBULL,S.M.F.JAMIESON,D.G.BROOKE,D.HEINRICH,G.J.ATWELL . 305 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13655.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.6 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 0.7 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 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 1 2 0 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 . 2 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 0 178 0, 0.0 12,-2.1 0, 0.0 13,-0.3 0.000 360.0 360.0 360.0 99.3 21.8 4.4 1.8 2 7 A C E -A 12 0A 70 10,-0.3 2,-0.4 11,-0.1 8,-0.0 -0.875 360.0-133.1-126.9 158.6 21.4 5.1 5.5 3 8 A V E -A 11 0A 48 8,-2.6 8,-2.7 -2,-0.3 2,-0.5 -0.948 24.3-117.3-113.3 144.0 21.2 8.3 7.6 4 9 A K E -A 10 0A 127 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.612 28.5-142.3 -73.3 120.4 23.2 8.9 10.8 5 10 A L > - 0 0 5 4,-3.2 3,-1.6 -2,-0.5 190,-0.1 -0.304 27.5-104.1 -78.0 167.4 21.0 9.4 13.9 6 11 A N T 3 S+ 0 0 40 188,-0.4 163,-0.1 1,-0.3 -1,-0.1 0.395 120.1 56.1 -75.6 5.2 21.8 11.9 16.6 7 12 A D T 3 S- 0 0 41 2,-0.2 -1,-0.3 161,-0.1 3,-0.1 0.105 122.6-102.2-116.2 10.3 23.1 9.1 19.0 8 13 A G S < S+ 0 0 40 -3,-1.6 2,-0.1 1,-0.3 -2,-0.1 0.336 85.2 119.4 85.4 -7.0 25.6 7.8 16.4 9 14 A H - 0 0 57 136,-0.1 -4,-3.2 -5,-0.1 2,-0.4 -0.430 59.6-122.1 -82.4 167.0 23.6 4.8 15.1 10 15 A F E -A 4 0A 119 -6,-0.2 -6,-0.2 -2,-0.1 -1,-0.0 -0.922 18.2-164.1-116.4 137.4 22.5 4.4 11.4 11 16 A M E -A 3 0A 0 -8,-2.7 -8,-2.6 -2,-0.4 2,-0.1 -0.975 26.2-120.5-117.7 129.9 18.9 4.0 10.0 12 17 A P E -A 2 0A 19 0, 0.0 -10,-0.3 0, 0.0 29,-0.0 -0.430 22.1-130.8 -68.8 144.1 18.3 2.9 6.4 13 18 A V S S+ 0 0 18 -12,-2.1 238,-2.5 -2,-0.1 2,-0.5 0.618 89.4 56.1 -77.0 -15.9 16.3 5.6 4.5 14 19 A L E S-b 251 0B 8 -13,-0.3 28,-0.5 236,-0.2 29,-0.4 -0.980 71.1-171.6-112.4 128.5 13.6 3.3 3.1 15 20 A G E -b 252 0B 0 236,-2.8 238,-2.1 -2,-0.5 2,-0.5 -0.880 23.4-123.5-120.1 151.6 11.5 1.1 5.5 16 21 A F E -bc 253 44B 1 27,-3.8 29,-3.1 -2,-0.3 2,-0.4 -0.821 23.4-143.0 -89.3 128.4 9.0 -1.7 5.1 17 22 A G E -bc 254 45B 10 236,-1.5 238,-0.5 -2,-0.5 29,-0.1 -0.815 15.6-174.5 -97.1 125.9 5.6 -1.0 6.7 18 23 A T + 0 0 0 27,-1.4 -1,-0.1 -2,-0.4 28,-0.1 0.520 38.8 118.2-102.2 -12.7 4.0 -4.1 8.3 19 24 A Y + 0 0 51 26,-0.2 -2,-0.1 27,-0.0 32,-0.1 -0.348 30.9 166.9 -61.5 131.3 0.6 -3.0 9.5 20 25 A A - 0 0 14 30,-0.3 9,-0.0 4,-0.1 -2,-0.0 -0.984 39.3 -99.8-136.7 149.5 -2.4 -4.8 7.9 21 26 A P > - 0 0 31 0, 0.0 3,-2.2 0, 0.0 29,-0.0 -0.044 40.2 -99.8 -59.9 161.7 -6.1 -4.7 9.1 22 27 A P T 3 S+ 0 0 106 0, 0.0 4,-0.1 0, 0.0 28,-0.0 0.532 116.5 73.0 -62.4 -6.5 -7.5 -7.6 11.2 23 28 A E T 3 S+ 0 0 97 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.653 85.0 76.9 -79.2 -17.9 -9.2 -9.0 8.1 24 29 A V S < S- 0 0 56 -3,-2.2 -4,-0.1 1,-0.0 5,-0.1 -0.788 93.8-109.4 -92.0 130.0 -5.8 -10.2 6.8 25 30 A P >> - 0 0 77 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.339 16.8-122.7 -64.2 143.4 -4.4 -13.3 8.5 26 31 A R H >> S+ 0 0 54 1,-0.3 3,-1.2 2,-0.2 4,-0.6 0.818 109.1 68.1 -39.5 -43.4 -1.4 -13.1 10.8 27 32 A S H 3> S+ 0 0 75 1,-0.3 4,-1.2 2,-0.2 3,-0.4 0.776 85.5 67.3 -60.2 -30.2 0.4 -15.6 8.6 28 33 A K H <> S+ 0 0 42 -3,-1.9 4,-2.2 1,-0.2 5,-0.3 0.899 91.5 62.9 -60.6 -35.6 0.6 -13.1 5.7 29 34 A A H S+ 0 0 0 -4,-2.6 5,-2.2 2,-0.2 4,-1.2 0.950 111.0 42.9 -54.3 -55.9 10.6 -7.4 1.7 37 42 A I H ><5S+ 0 0 2 -4,-2.7 3,-0.6 1,-0.2 -2,-0.2 0.920 112.2 55.2 -62.8 -42.0 14.1 -8.5 2.9 38 43 A E H 3<5S+ 0 0 112 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.906 107.7 49.0 -56.0 -41.1 14.6 -10.5 -0.3 39 44 A A H 3<5S- 0 0 28 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.702 131.0 -92.7 -76.3 -18.3 13.9 -7.4 -2.5 40 45 A G T <<5S+ 0 0 38 -4,-1.2 2,-0.3 -3,-0.6 -3,-0.2 0.465 73.5 144.0 123.3 4.8 16.4 -5.3 -0.4 41 46 A F < + 0 0 2 -5,-2.2 -1,-0.3 -6,-0.2 -26,-0.1 -0.608 15.8 173.7 -67.1 131.8 14.5 -3.6 2.4 42 47 A R + 0 0 79 -28,-0.5 33,-2.6 -2,-0.3 2,-0.5 0.294 60.7 73.3-118.9 4.2 16.7 -3.5 5.5 43 48 A H E - d 0 75B 1 -29,-0.4 -27,-3.8 31,-0.2 2,-0.5 -0.987 61.6-174.5-124.2 117.4 14.4 -1.3 7.7 44 49 A I E -cd 16 76B 0 31,-2.9 33,-2.3 -2,-0.5 2,-0.6 -0.977 9.3-154.5-123.3 122.0 11.3 -3.1 9.0 45 50 A D E +cd 17 77B 4 -29,-3.1 -27,-1.4 -2,-0.5 -26,-0.2 -0.838 28.0 146.2-105.8 114.6 8.6 -1.1 11.0 46 51 A S - 0 0 0 31,-1.9 2,-0.3 -2,-0.6 3,-0.1 -0.643 19.8-169.1-130.7-169.1 6.3 -2.9 13.5 47 52 A A > > - 0 0 0 31,-0.2 3,-0.7 -2,-0.2 5,-0.5 -0.947 41.6-101.2-173.1 162.7 4.5 -2.2 16.8 48 53 A H G > 5S+ 0 0 75 31,-1.6 3,-1.2 -2,-0.3 5,-0.1 0.897 119.1 60.6 -61.9 -42.2 2.6 -3.8 19.7 49 54 A L G 3 5S+ 0 0 75 30,-0.3 -1,-0.2 1,-0.2 31,-0.0 0.845 92.7 65.5 -46.3 -36.6 -0.6 -2.5 18.1 50 55 A Y G < 5S- 0 0 39 -3,-0.7 -30,-0.3 1,-0.1 -1,-0.2 0.677 87.7-145.6 -75.3 -18.3 -0.0 -4.5 14.9 51 56 A N T < 5S+ 0 0 125 -3,-1.2 -3,-0.1 -4,-0.4 -1,-0.1 0.864 77.3 94.4 53.5 41.9 -0.4 -8.0 16.5 52 57 A N >< + 0 0 7 -5,-0.5 4,-2.4 2,-0.1 3,-0.3 0.232 36.7 112.2-139.5 7.4 2.3 -9.3 14.1 53 58 A E H > S+ 0 0 4 -6,-0.3 4,-2.4 1,-0.2 5,-0.2 0.824 78.9 55.3 -59.4 -28.9 5.5 -9.0 16.0 54 59 A E H > S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 112.1 41.8 -69.6 -45.0 5.9 -12.8 16.2 55 60 A Q H > S+ 0 0 37 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.832 115.4 49.1 -70.4 -32.6 5.6 -13.2 12.4 56 61 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.912 113.4 47.3 -74.7 -41.5 7.9 -10.2 11.7 57 62 A G H X S+ 0 0 0 -4,-2.4 4,-3.1 -5,-0.3 5,-0.2 0.932 112.4 50.0 -60.1 -47.6 10.5 -11.5 14.2 58 63 A L H X S+ 0 0 72 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.909 109.7 50.7 -56.2 -48.7 10.2 -15.0 12.6 59 64 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.925 113.5 45.7 -53.5 -48.5 10.7 -13.6 9.1 60 65 A I H >X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 3,-0.6 0.962 114.5 46.6 -61.5 -51.1 13.7 -11.7 10.3 61 66 A R H 3X S+ 0 0 84 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.886 110.8 53.7 -61.0 -40.5 15.2 -14.7 12.1 62 67 A S H 3X S+ 0 0 38 -4,-3.1 4,-1.4 -5,-0.2 -1,-0.2 0.788 107.7 49.3 -59.9 -33.5 14.6 -17.0 9.2 63 68 A K H << S+ 0 0 9 -4,-1.3 6,-1.2 -3,-0.6 5,-0.4 0.684 113.2 47.9 -84.0 -21.2 16.4 -14.6 6.8 64 69 A I H >< S+ 0 0 54 -4,-1.4 3,-1.2 -3,-0.2 -2,-0.2 0.857 111.1 50.4 -75.6 -43.0 19.3 -14.5 9.2 65 70 A A H 3< S+ 0 0 92 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.794 107.0 53.7 -74.2 -25.2 19.3 -18.3 9.6 66 71 A D T 3< S- 0 0 88 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.1 0.485 115.8-118.1 -85.4 2.3 19.3 -18.9 5.8 67 72 A G S < S+ 0 0 62 -3,-1.2 -3,-0.1 2,-0.3 -2,-0.1 0.180 80.5 120.7 89.4 -15.2 22.5 -16.6 5.6 68 73 A S S S+ 0 0 69 -5,-0.4 2,-0.3 1,-0.1 -4,-0.2 0.773 83.0 3.1 -48.3 -38.5 21.0 -13.8 3.5 69 74 A V - 0 0 6 -6,-1.2 -2,-0.3 -9,-0.1 2,-0.2 -0.971 69.0-124.2-145.4 154.3 21.6 -11.0 6.1 70 75 A K > - 0 0 77 -2,-0.3 3,-1.0 1,-0.1 4,-0.4 -0.538 36.1-106.8 -88.8 168.1 23.2 -10.7 9.6 71 76 A R G > S+ 0 0 34 1,-0.2 3,-1.5 -2,-0.2 -1,-0.1 0.901 119.7 58.5 -54.6 -43.6 21.2 -9.2 12.6 72 77 A E G 3 S+ 0 0 122 1,-0.3 -1,-0.2 3,-0.1 -3,-0.0 0.554 96.0 58.9 -72.2 -13.7 23.2 -6.1 12.3 73 78 A D G < S+ 0 0 81 -3,-1.0 2,-0.4 2,-0.0 -1,-0.3 0.534 94.9 83.7 -89.0 -9.7 22.2 -5.3 8.7 74 79 A I < - 0 0 3 -3,-1.5 2,-0.6 -4,-0.4 -31,-0.2 -0.756 62.5-160.5 -95.8 137.2 18.5 -5.3 9.9 75 80 A F E -d 43 0B 10 -33,-2.6 -31,-2.9 -2,-0.4 2,-0.5 -0.980 17.7-174.4-113.9 108.8 16.9 -2.1 11.4 76 81 A Y E -d 44 0B 1 -2,-0.6 32,-1.8 -33,-0.2 31,-1.6 -0.949 3.0-169.2-113.8 128.2 13.9 -3.3 13.4 77 82 A T E +de 45 108B 0 -33,-2.3 -31,-1.9 -2,-0.5 2,-0.3 -0.894 8.7 171.7-114.2 142.4 11.5 -0.8 15.0 78 83 A S E - e 0 109B 0 30,-2.1 32,-1.8 -2,-0.4 2,-0.4 -0.882 19.4-133.3-140.3 174.5 8.7 -1.4 17.5 79 84 A K E - e 0 110B 0 -2,-0.3 -31,-1.6 30,-0.2 2,-0.5 -0.996 14.0-119.3-144.0 137.0 6.4 1.0 19.5 80 85 A L E - e 0 111B 0 30,-2.4 32,-1.9 -2,-0.4 33,-0.4 -0.586 39.1-126.9 -69.2 115.6 5.1 1.5 23.0 81 86 A W > - 0 0 52 -2,-0.5 3,-1.9 30,-0.1 -1,-0.1 -0.337 20.4-110.6 -70.3 152.8 1.3 1.3 22.9 82 87 A S G > S+ 0 0 3 1,-0.3 35,-2.0 2,-0.1 3,-0.5 0.555 112.8 64.4 -66.9 -17.4 -0.7 4.2 24.5 83 88 A T G 3 S+ 0 0 27 1,-0.2 -1,-0.3 33,-0.2 3,-0.3 0.505 99.0 59.6 -73.9 -8.5 -2.1 2.2 27.5 84 89 A F G < + 0 0 57 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.1 -0.202 65.4 113.5-119.0 37.5 1.6 1.9 28.6 85 90 A H < + 0 0 3 -3,-0.5 -1,-0.2 32,-0.3 5,-0.1 0.803 44.4 100.3 -79.6 -30.5 2.6 5.5 29.1 86 91 A R S > S- 0 0 87 -3,-0.3 3,-2.4 1,-0.1 4,-0.4 -0.349 85.4-120.8 -60.6 136.0 3.0 5.4 32.9 87 92 A P G >> S+ 0 0 48 0, 0.0 3,-1.5 0, 0.0 4,-0.5 0.794 108.2 58.2 -55.1 -35.9 6.8 5.1 33.3 88 93 A E G 34 S+ 0 0 133 1,-0.3 -2,-0.1 2,-0.1 -3,-0.1 0.593 104.5 56.6 -66.9 -10.6 6.8 1.8 35.3 89 94 A L G <> S+ 0 0 54 -3,-2.4 4,-1.3 2,-0.1 -1,-0.3 0.632 88.9 77.7 -92.7 -10.4 5.0 0.3 32.3 90 95 A V H <> S+ 0 0 0 -3,-1.5 4,-1.9 -4,-0.4 3,-0.3 0.948 93.0 41.8 -75.9 -52.8 7.6 1.2 29.6 91 96 A R H X S+ 0 0 113 -4,-0.5 4,-3.3 1,-0.2 5,-0.3 0.916 113.6 53.7 -61.9 -44.2 10.4 -1.4 30.1 92 97 A P H > S+ 0 0 63 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.852 107.7 50.6 -57.8 -34.0 8.0 -4.3 30.6 93 98 A A H X S+ 0 0 13 -4,-1.3 4,-2.7 -3,-0.3 -2,-0.2 0.908 113.5 45.9 -70.7 -35.5 6.1 -3.4 27.3 94 99 A L H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.950 111.5 50.2 -70.0 -48.2 9.5 -3.4 25.4 95 100 A E H X S+ 0 0 78 -4,-3.3 4,-2.2 1,-0.2 5,-0.2 0.947 111.2 51.7 -55.0 -43.2 10.6 -6.6 27.1 96 101 A N H X S+ 0 0 92 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.951 109.2 47.7 -58.1 -52.6 7.2 -8.0 26.0 97 102 A S H X S+ 0 0 1 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.915 110.0 54.6 -52.3 -45.2 7.7 -6.9 22.3 98 103 A L H X>S+ 0 0 13 -4,-3.1 5,-1.8 1,-0.2 4,-1.1 0.891 109.0 47.5 -56.2 -41.5 11.3 -8.4 22.4 99 104 A K H <5S+ 0 0 103 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.869 108.7 53.1 -71.9 -39.3 9.9 -11.8 23.5 100 105 A K H <5S+ 0 0 85 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.894 117.7 38.9 -56.6 -34.2 7.2 -11.9 20.8 101 106 A A H <5S- 0 0 0 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.571 102.7-133.5 -97.2 -15.2 9.8 -11.2 18.2 102 107 A Q T <5 + 0 0 126 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.892 60.8 130.7 60.5 45.0 12.5 -13.5 19.8 103 108 A L < - 0 0 20 -5,-1.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.882 62.6-134.3-121.5 154.4 15.2 -10.8 19.4 104 109 A D S S- 0 0 150 -2,-0.3 2,-0.3 1,-0.2 -6,-0.1 0.649 84.9 -2.4 -77.7 -21.1 17.7 -9.5 22.0 105 110 A Y - 0 0 53 -7,-0.1 2,-0.4 39,-0.0 39,-0.2 -0.990 62.0-121.7-165.0 159.1 17.1 -5.9 21.1 106 111 A V E - f 0 144B 1 37,-1.9 39,-2.6 -2,-0.3 40,-0.3 -0.899 15.6-142.5-107.6 145.0 15.2 -3.4 18.9 107 112 A D E S+ 0 0 5 -31,-1.6 39,-1.4 -2,-0.4 2,-0.3 0.836 90.5 18.2 -70.2 -32.8 17.2 -0.9 16.8 108 113 A L E -ef 77 146B 2 -32,-1.8 -30,-2.1 37,-0.2 2,-0.4 -0.995 60.8-169.7-145.4 130.9 14.4 1.6 17.5 109 114 A Y E -ef 78 147B 1 37,-2.0 39,-2.1 -2,-0.3 2,-0.4 -0.986 16.8-171.1-117.2 132.7 11.7 2.1 20.1 110 115 A L E -ef 79 148B 0 -32,-1.8 -30,-2.4 -2,-0.4 2,-0.6 -0.920 33.9-119.5-118.3 145.5 9.0 4.8 19.7 111 116 A I E -ef 80 149B 0 37,-1.7 39,-1.2 -2,-0.4 -30,-0.1 -0.774 34.4-145.6 -67.0 122.4 6.3 6.2 21.8 112 117 A H - 0 0 18 -32,-1.9 -1,-0.1 -2,-0.6 -31,-0.1 0.842 67.8 -15.2 -69.1 -35.3 3.5 5.2 19.3 113 118 A S - 0 0 11 -33,-0.4 -1,-0.2 -3,-0.1 38,-0.2 -0.981 52.7-126.6-160.8 156.2 1.4 8.3 20.0 114 119 A P S S+ 0 0 0 0, 0.0 2,-1.5 0, 0.0 14,-0.1 0.505 82.2 102.4 -82.1 -1.1 1.1 11.1 22.6 115 120 A M - 0 0 19 184,-0.1 -33,-0.1 10,-0.0 10,-0.1 -0.601 67.0-151.9 -90.7 86.2 -2.6 10.4 23.2 116 121 A S - 0 0 2 -2,-1.5 8,-1.7 8,-0.2 2,-0.3 -0.231 10.8-162.9 -61.1 144.8 -2.5 8.5 26.5 117 122 A L B -J 123 0C 28 -35,-2.0 -32,-0.3 6,-0.3 6,-0.2 -0.940 29.2 -91.4-130.1 145.3 -5.3 5.9 27.2 118 123 A K - 0 0 96 4,-2.6 2,-0.6 -2,-0.3 -35,-0.1 -0.389 46.8-112.0 -56.3 125.4 -6.5 4.2 30.4 119 124 A P 0 0 50 0, 0.0 -1,-0.0 0, 0.0 -35,-0.0 -0.935 360.0 360.0 -94.1 119.6 -4.7 0.9 31.2 120 125 A G 0 0 123 -2,-0.6 -2,-0.1 0, 0.0 -37,-0.0 -0.951 360.0 360.0-159.7 360.0 -6.8 -1.1 30.9 121 ! 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 0.0 122 138 A I 0 0 155 0, 0.0 -4,-2.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.5 -11.1 6.4 27.4 123 139 A F B -J 117 0C 71 -6,-0.2 -6,-0.3 1,-0.0 2,-0.3 -0.211 360.0-158.3 -84.6 158.0 -8.3 8.9 27.9 124 140 A D - 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0 0 61 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.352 36.8-117.4 -62.8 141.8 -8.9 12.0 -2.7 218 234 A V > - 0 0 43 1,-0.2 3,-2.0 -3,-0.1 4,-0.2 -0.723 19.4-148.0 -84.1 114.0 -6.8 8.9 -3.5 219 235 A L G > S+ 0 0 2 -2,-0.7 3,-1.9 1,-0.3 6,-0.2 0.907 94.9 52.8 -54.1 -44.2 -3.2 10.0 -3.4 220 236 A L G 3 S+ 0 0 59 -17,-0.4 -1,-0.3 1,-0.3 17,-0.1 0.403 104.2 57.5 -78.6 5.1 -2.0 7.6 -6.1 221 237 A E G < S+ 0 0 144 -3,-2.0 -1,-0.3 15,-0.1 -2,-0.2 0.241 76.1 132.2-104.5 3.5 -4.7 8.9 -8.5 222 238 A D <> - 0 0 6 -3,-1.9 4,-2.1 -4,-0.2 5,-0.1 -0.337 57.0-139.1 -63.1 138.1 -3.4 12.4 -8.3 223 239 A P H > S+ 0 0 98 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.784 99.7 49.3 -75.9 -28.6 -3.0 14.0 -11.8 224 240 A V H > S+ 0 0 52 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.904 112.5 47.6 -72.7 -43.2 0.3 15.8 -11.2 225 241 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.881 113.0 51.1 -61.4 -36.5 1.9 12.6 -9.7 226 242 A C H X S+ 0 0 39 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.953 109.4 48.4 -65.6 -45.4 0.5 10.7 -12.7 227 243 A A H X S+ 0 0 58 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.888 113.5 48.6 -60.8 -38.6 2.0 13.2 -15.2 228 244 A L H X S+ 0 0 13 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.843 107.6 54.7 -69.3 -40.0 5.4 13.0 -13.3 229 245 A A H X>S+ 0 0 6 -4,-2.2 5,-1.9 2,-0.2 4,-1.1 0.887 111.4 44.6 -55.7 -44.1 5.2 9.2 -13.4 230 246 A K H <5S+ 0 0 162 -4,-2.0 3,-0.3 2,-0.2 -2,-0.2 0.924 110.2 54.6 -73.1 -41.0 4.8 9.4 -17.2 231 247 A K H <5S+ 0 0 117 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.888 121.6 30.4 -55.7 -40.6 7.6 12.0 -17.5 232 248 A H H <5S- 0 0 45 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.541 104.6-126.5 -96.5 -4.5 10.0 9.6 -15.7 233 249 A K T <5S+ 0 0 191 -4,-1.1 -3,-0.2 -3,-0.3 2,-0.1 0.896 76.9 106.6 52.3 46.4 8.4 6.3 -16.8 234 250 A R S - 0 0 37 -2,-0.1 4,-1.8 1,-0.1 5,-0.2 -0.911 26.8-111.4-134.1 158.1 4.9 5.0 -11.1 236 252 A P H > S+ 0 0 31 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.901 119.1 54.3 -57.5 -39.5 2.9 7.4 -8.9 237 253 A A H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.933 108.3 50.4 -56.1 -43.9 4.0 5.4 -5.8 238 254 A L H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.815 107.9 50.9 -67.7 -36.2 7.6 5.8 -6.8 239 255 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.930 110.7 50.3 -64.0 -43.7 7.3 9.6 -7.3 240 256 A A H X S+ 0 0 0 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.868 114.4 45.2 -66.0 -33.1 5.7 9.9 -3.7 241 257 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.2 3,-0.4 0.920 111.7 50.4 -75.8 -44.1 8.5 7.9 -2.3 242 258 A R H X S+ 0 0 34 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.863 103.3 60.0 -67.4 -35.0 11.2 9.7 -4.2 243 259 A Y H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.899 104.6 50.9 -53.5 -43.5 9.9 13.1 -3.1 244 260 A Q H ><>S+ 0 0 0 -4,-0.9 5,-2.3 -3,-0.4 3,-0.5 0.909 107.3 51.2 -67.8 -42.9 10.4 12.2 0.5 245 261 A L H ><5S+ 0 0 28 -4,-1.6 3,-1.3 1,-0.2 -1,-0.2 0.907 109.2 50.6 -62.6 -39.4 14.0 11.0 0.1 246 262 A Q H 3<5S+ 0 0 69 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.651 106.5 56.7 -74.9 -17.0 15.1 14.3 -1.7 247 263 A R T <<5S- 0 0 20 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.391 123.1-103.4 -88.3 4.9 13.5 16.3 1.2 248 264 A G T < 5S+ 0 0 51 -3,-1.3 2,-0.4 1,-0.3 -51,-0.3 0.548 78.6 137.8 86.8 9.4 15.7 14.6 3.8 249 265 A V < - 0 0 2 -5,-2.3 2,-0.4 -6,-0.2 -1,-0.3 -0.723 53.2-134.3 -95.8 131.3 12.7 12.4 5.0 250 266 A V E - i 0 198B 3 -53,-2.2 -51,-3.3 -2,-0.4 2,-0.4 -0.688 31.5-149.3 -79.3 131.7 13.0 8.7 5.8 251 267 A V E -bi 14 199B 0 -238,-2.5 -236,-2.8 -2,-0.4 2,-0.3 -0.927 13.8-156.2-120.3 132.3 10.1 6.9 4.1 252 268 A L E -b 15 0B 12 -53,-2.2 -50,-0.3 -2,-0.4 2,-0.3 -0.714 8.7-169.1 -91.8 153.2 8.1 3.8 5.0 253 269 A A E -b 16 0B 3 -238,-2.1 -236,-1.5 -2,-0.3 2,-0.5 -0.906 4.7-160.1-144.0 109.9 6.2 1.8 2.3 254 270 A K E +b 17 0B 74 -2,-0.3 2,-0.3 -238,-0.2 -236,-0.1 -0.831 23.6 153.3 -89.3 130.4 3.6 -0.9 3.2 255 271 A S - 0 0 10 -238,-0.5 -219,-0.1 -2,-0.5 -2,-0.1 -0.908 30.1-171.8-152.0 133.9 2.8 -3.5 0.6 256 272 A Y + 0 0 47 -2,-0.3 2,-0.5 5,-0.0 -223,-0.0 0.089 66.5 95.2-103.1 20.2 1.5 -7.1 0.9 257 273 A N S > S- 0 0 55 1,-0.1 4,-2.5 -225,-0.1 5,-0.2 -0.951 72.4-138.0-118.5 124.4 1.9 -7.7 -2.9 258 274 A E H > S+ 0 0 100 -2,-0.5 4,-1.7 1,-0.2 5,-0.2 0.837 101.3 46.7 -43.8 -43.3 5.1 -9.3 -4.3 259 275 A Q H > S+ 0 0 85 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.904 111.6 47.8 -80.3 -38.3 5.3 -7.0 -7.3 260 276 A R H > S+ 0 0 139 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.905 108.9 57.3 -66.9 -36.0 4.7 -3.7 -5.5 261 277 A I H X S+ 0 0 2 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.920 111.7 40.5 -58.5 -47.1 7.3 -4.8 -2.9 262 278 A R H >< S+ 0 0 93 -4,-1.7 3,-0.7 1,-0.2 4,-0.3 0.900 113.7 54.5 -67.6 -42.4 10.0 -5.2 -5.6 263 279 A Q H >< S+ 0 0 55 -4,-2.8 3,-2.5 1,-0.2 4,-0.2 0.928 99.8 62.0 -58.1 -43.4 8.8 -2.1 -7.4 264 280 A N H >< S+ 0 0 5 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.826 92.0 62.8 -59.0 -30.7 9.2 0.1 -4.3 265 281 A V G X< S+ 0 0 32 -4,-0.8 3,-1.2 -3,-0.7 -1,-0.3 0.628 84.9 79.9 -71.8 -4.9 13.0 -0.5 -4.0 266 282 A Q G X + 0 0 69 -3,-2.5 3,-2.8 -4,-0.3 4,-0.3 0.594 63.1 92.6 -75.3 -11.0 13.3 1.2 -7.3 267 283 A V G X S+ 0 0 0 -3,-1.7 3,-0.7 1,-0.3 -1,-0.3 0.845 81.0 58.7 -50.5 -30.1 13.0 4.5 -5.5 268 284 A F G < S+ 0 0 83 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.1 0.614 93.7 68.2 -73.7 -7.8 16.9 4.4 -5.4 269 285 A E G < S+ 0 0 117 -3,-2.8 2,-0.3 -4,-0.1 -1,-0.2 0.450 99.6 31.9-100.2 -2.5 17.3 4.3 -9.2 270 286 A F < - 0 0 22 -3,-0.7 2,-0.3 -4,-0.3 -38,-0.0 -0.953 63.8-135.1-148.9 166.5 16.1 7.7 -10.4 271 287 A Q - 0 0 146 -2,-0.3 2,-0.3 -39,-0.0 -28,-0.1 -0.914 9.8-136.5-123.7 149.5 15.9 11.4 -9.4 272 288 A L - 0 0 9 -2,-0.3 2,-0.1 -30,-0.2 -44,-0.0 -0.821 26.0-123.7 -96.2 146.1 13.4 14.2 -9.5 273 289 A T > - 0 0 57 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.395 27.3-104.4 -78.4 163.4 14.3 17.8 -10.7 274 290 A A H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.891 124.7 50.9 -51.2 -44.5 13.8 21.0 -8.7 275 291 A E H > S+ 0 0 142 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 109.1 50.8 -65.0 -40.7 10.7 21.8 -10.9 276 292 A D H > S+ 0 0 6 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.921 110.5 49.8 -56.5 -44.8 9.3 18.3 -10.2 277 293 A M H X S+ 0 0 26 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.897 109.9 50.9 -67.2 -35.3 9.8 18.9 -6.5 278 294 A K H X S+ 0 0 110 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.906 106.6 52.6 -68.5 -41.8 8.0 22.2 -6.7 279 295 A A H < S+ 0 0 45 -4,-2.1 4,-0.3 1,-0.2 3,-0.3 0.926 113.0 46.9 -60.2 -41.1 5.0 20.8 -8.6 280 296 A I H >< S+ 0 0 0 -4,-2.0 3,-1.9 1,-0.2 4,-0.3 0.933 106.2 55.9 -68.9 -43.3 4.7 18.2 -5.7 281 297 A D H >< S+ 0 0 71 -4,-2.6 3,-0.9 1,-0.3 -1,-0.2 0.782 99.6 65.0 -58.7 -28.6 5.1 20.8 -3.0 282 298 A G T 3< S+ 0 0 63 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.591 87.8 67.9 -70.9 -10.9 2.0 22.5 -4.7 283 299 A L T < + 0 0 11 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.610 68.0 124.9 -77.2 -17.2 -0.3 19.6 -3.8 284 300 A D < + 0 0 68 -3,-0.9 -104,-0.2 -4,-0.3 -103,-0.2 -0.168 21.0 154.6 -49.5 123.7 -0.2 20.3 -0.0 285 301 A R - 0 0 123 -105,-1.8 -104,-0.1 2,-0.1 -1,-0.1 0.087 62.7-101.6-145.8 31.5 -3.8 20.7 1.3 286 302 A N + 0 0 108 1,-0.2 2,-0.9 20,-0.0 -105,-0.2 0.851 65.2 158.1 50.9 42.6 -3.8 19.8 5.1 287 303 A L + 0 0 31 -107,-2.3 2,-0.7 -71,-0.0 -1,-0.2 -0.841 18.7 179.3-103.9 97.7 -5.2 16.4 4.4 288 304 A H - 0 0 33 -2,-0.9 15,-0.0 1,-0.1 -107,-0.0 -0.919 17.6-154.8 -94.6 115.0 -4.5 13.9 7.2 289 305 A Y S S+ 0 0 3 -2,-0.7 2,-0.8 -88,-0.1 -76,-0.5 0.827 79.7 75.9 -62.3 -39.0 -6.1 10.7 6.2 290 306 A F + 0 0 70 -78,-0.1 -78,-0.2 -3,-0.1 2,-0.2 -0.718 60.4 148.1 -72.4 112.1 -6.5 9.5 9.8 291 307 A N + 0 0 99 -80,-2.2 2,-0.3 -2,-0.8 -78,-0.1 -0.619 14.8 153.1-155.9 78.7 -9.4 11.7 10.9 292 308 A S >> - 0 0 26 -2,-0.2 4,-2.0 1,-0.1 3,-1.5 -0.905 51.5-132.4-124.6 142.0 -11.7 10.0 13.5 293 309 A D H 3> S+ 0 0 155 -2,-0.3 4,-0.5 1,-0.2 -1,-0.1 0.742 102.5 74.5 -52.2 -28.9 -14.1 11.1 16.3 294 310 A S H 34 S+ 0 0 62 1,-0.2 -1,-0.2 2,-0.1 -83,-0.0 0.747 117.8 10.2 -72.0 -17.0 -12.4 8.5 18.5 295 311 A F H X4 S+ 0 0 60 -3,-1.5 3,-2.8 3,-0.1 -1,-0.2 0.540 100.4 96.6-122.5 -16.7 -9.3 10.6 18.9 296 312 A A H 3< S+ 0 0 39 -4,-2.0 -3,-0.1 1,-0.3 -2,-0.1 0.670 93.1 39.3 -61.2 -22.2 -10.1 14.0 17.5 297 313 A S T 3< S+ 0 0 99 -4,-0.5 -1,-0.3 3,-0.0 -4,-0.1 0.147 82.4 132.1-114.0 25.2 -11.0 15.5 21.0 298 314 A H X - 0 0 8 -3,-2.8 3,-2.1 1,-0.1 -3,-0.1 -0.509 68.0-119.0 -70.3 137.0 -8.2 13.8 22.9 299 315 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -184,-0.1 0.737 113.6 37.2 -48.0 -30.5 -6.3 16.4 25.1 300 316 A N T 3 S+ 0 0 54 -184,-0.1 -2,-0.1 -186,-0.0 -3,-0.0 -0.093 79.0 154.4-117.1 32.1 -3.0 15.7 23.3 301 317 A Y X - 0 0 33 -3,-2.1 3,-0.7 1,-0.2 -5,-0.1 -0.429 39.7-143.5 -54.2 126.7 -4.5 15.3 19.8 302 318 A P G > S+ 0 0 7 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.817 90.5 61.7 -72.2 -26.1 -1.6 16.3 17.6 303 319 A Y G > S+ 0 0 37 1,-0.3 3,-1.3 2,-0.1 -2,-0.1 0.558 74.8 92.6 -86.4 1.2 -3.5 18.1 14.8 304 320 A S G < S+ 0 0 77 -3,-0.7 -1,-0.3 1,-0.2 -3,-0.0 0.552 81.0 61.6 -59.0 -6.8 -4.9 20.7 17.2 305 321 A D G < 0 0 65 -3,-1.1 -1,-0.2 -4,-0.0 -2,-0.1 0.347 360.0 360.0-113.1 9.1 -1.8 22.9 16.2 306 322 A E < 0 0 208 -3,-1.3 -2,-0.1 -20,-0.0 -3,-0.0 0.888 360.0 360.0 52.2 360.0 -2.3 23.4 12.4