==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 01-MAR-10 3LZ3 . COMPND 2 MOLECULE: ALDOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.KOCH,A.HEINE,G.KLEBE . 312 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13306.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 10.9 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 . 11 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 0 3 2 1 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 2 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 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 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 0 A M 0 0 94 0, 0.0 275,-0.1 0, 0.0 254,-0.0 0.000 360.0 360.0 360.0 133.6 17.9 11.7 40.4 2 1 A A - 0 0 80 1,-0.1 13,-0.1 2,-0.0 0, 0.0 -0.230 360.0-139.1 -54.3 139.0 14.1 11.9 39.7 3 2 A S S S+ 0 0 69 11,-0.1 12,-2.5 12,-0.1 13,-0.4 0.702 73.6 48.0 -81.9 -19.7 12.9 8.5 38.6 4 3 A R E -A 14 0A 111 10,-0.3 2,-0.4 11,-0.1 8,-0.1 -0.901 62.0-146.7-127.7 153.7 10.5 9.4 35.8 5 4 A I E -A 13 0A 35 8,-2.4 8,-2.7 -2,-0.3 2,-0.5 -0.929 27.3-115.7-116.3 138.4 10.5 11.6 32.7 6 5 A L E -A 12 0A 115 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.649 29.3-151.7 -76.9 125.6 7.4 13.4 31.4 7 6 A L > - 0 0 5 4,-3.1 3,-2.1 -2,-0.5 198,-0.1 -0.514 28.3-108.6 -90.1 162.9 6.2 12.3 28.0 8 7 A N T 3 S+ 0 0 65 196,-0.4 171,-0.1 173,-0.3 -1,-0.1 0.402 117.3 64.2 -75.8 6.8 4.3 14.4 25.5 9 8 A N T 3 S- 0 0 63 2,-0.2 -1,-0.3 172,-0.1 3,-0.1 0.302 119.9-108.3 -99.3 3.4 1.2 12.4 26.2 10 9 A G S < S+ 0 0 60 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.395 82.7 117.2 86.8 -3.9 1.2 13.7 29.7 11 10 A A - 0 0 33 144,-0.1 -4,-3.1 95,-0.1 2,-0.4 -0.617 63.0-121.6 -94.5 159.1 2.3 10.5 31.4 12 11 A K E -A 6 0A 116 -6,-0.2 -6,-0.2 -2,-0.2 -8,-0.0 -0.839 21.3-158.5-105.4 136.3 5.5 9.8 33.3 13 12 A M E -A 5 0A 1 -8,-2.7 -8,-2.4 -2,-0.4 2,-0.1 -0.950 22.9-116.4-116.1 126.3 8.0 7.1 32.2 14 13 A P E -A 4 0A 12 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.403 18.6-142.4 -62.4 133.2 10.6 5.5 34.5 15 14 A I S S+ 0 0 10 -12,-2.5 245,-2.8 -2,-0.1 2,-0.5 0.660 85.9 57.7 -74.0 -16.3 14.0 6.4 33.2 16 15 A L B +b 260 0B 4 -13,-0.4 25,-0.5 243,-0.2 2,-0.3 -0.971 67.4 164.1-116.4 127.3 15.3 2.9 34.1 17 16 A G - 0 0 0 243,-2.4 2,-0.6 -2,-0.5 26,-0.2 -0.906 37.2-107.7-132.0 168.6 13.7 -0.2 32.7 18 17 A L E -c 43 0B 1 24,-2.3 26,-2.8 -2,-0.3 245,-0.2 -0.854 28.9-142.5 -97.0 123.3 14.6 -3.9 32.3 19 18 A G E -cd 44 263B 5 243,-2.0 245,-0.6 -2,-0.6 26,-0.1 -0.495 14.7-173.8 -79.2 153.3 15.4 -5.1 28.8 20 19 A T > + 0 0 0 24,-0.6 3,-1.5 -2,-0.2 2,-0.3 0.377 37.1 124.5-132.8 2.3 14.2 -8.6 27.8 21 20 A W T 3 S+ 0 0 62 1,-0.3 -2,-0.1 23,-0.1 29,-0.1 -0.543 89.9 8.4 -69.2 130.2 15.7 -9.4 24.3 22 21 A K T 3 S+ 0 0 48 -2,-0.3 -1,-0.3 1,-0.3 -2,-0.0 0.301 89.3 139.8 81.2 -2.4 17.6 -12.7 24.6 23 22 A S < - 0 0 4 -3,-1.5 -1,-0.3 1,-0.1 5,-0.1 -0.582 60.2-118.4 -71.0 116.2 16.3 -13.3 28.1 24 23 A P >> - 0 0 47 0, 0.0 4,-2.3 0, 0.0 3,-2.3 -0.253 13.3-123.6 -60.7 146.6 15.5 -17.1 27.9 25 24 A P H 3> S+ 0 0 71 0, 0.0 4,-0.6 0, 0.0 -2,-0.1 0.826 112.1 54.6 -62.8 -27.5 11.9 -18.0 28.5 26 25 A G H 34 S+ 0 0 81 1,-0.2 4,-0.1 2,-0.1 -3,-0.0 0.476 118.8 33.7 -81.4 -2.6 12.9 -20.2 31.4 27 26 A Q H <> S+ 0 0 98 -3,-2.3 4,-2.0 2,-0.1 -1,-0.2 0.558 99.2 76.1-118.1 -22.7 14.7 -17.4 33.1 28 27 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.802 88.3 59.3 -73.6 -27.4 12.8 -14.2 32.3 29 28 A T H X S+ 0 0 26 -4,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.969 111.5 40.9 -63.0 -47.7 9.9 -14.8 34.6 30 29 A E H > S+ 0 0 107 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.897 112.9 56.7 -63.4 -38.6 12.2 -14.8 37.6 31 30 A A H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.933 110.6 42.7 -57.9 -47.7 14.2 -11.9 36.1 32 31 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.893 112.7 53.0 -68.1 -39.6 11.2 -9.7 35.9 33 32 A K H X S+ 0 0 56 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.945 112.6 44.8 -57.7 -48.1 9.9 -10.8 39.4 34 33 A V H X S+ 0 0 20 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.936 111.3 54.1 -61.2 -45.0 13.3 -9.9 40.9 35 34 A A H X>S+ 0 0 0 -4,-2.6 5,-2.5 -5,-0.3 4,-0.7 0.940 111.0 44.5 -55.4 -50.4 13.4 -6.6 38.9 36 35 A I H ><5S+ 0 0 1 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.928 111.2 54.4 -63.5 -41.0 10.0 -5.6 40.3 37 36 A D H 3<5S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.839 110.8 45.7 -60.2 -34.3 11.0 -6.7 43.8 38 37 A V H 3<5S- 0 0 60 -4,-2.1 -1,-0.3 -3,-0.3 -2,-0.2 0.397 132.5 -83.2 -94.6 0.8 14.1 -4.5 43.7 39 38 A G T <<5S+ 0 0 20 -3,-1.1 -3,-0.2 -4,-0.7 -2,-0.1 0.280 76.1 141.5 126.1 -8.7 12.4 -1.4 42.3 40 39 A Y < + 0 0 0 -5,-2.5 -1,-0.3 -6,-0.2 -23,-0.1 -0.399 14.8 171.2 -64.4 140.6 12.1 -1.6 38.5 41 40 A R + 0 0 71 -25,-0.5 33,-2.5 1,-0.1 2,-0.4 0.256 58.7 68.0-130.1 6.7 8.8 -0.3 37.3 42 41 A H E - e 0 74B 0 -26,-0.3 -24,-2.3 31,-0.2 2,-0.4 -0.999 56.4-174.1-133.5 127.3 9.5 -0.3 33.5 43 42 A I E -ce 18 75B 0 31,-1.6 33,-2.4 -2,-0.4 2,-0.6 -0.995 14.8-147.1-123.8 129.5 9.9 -3.4 31.4 44 43 A D E +ce 19 76B 4 -26,-2.8 -24,-0.6 -2,-0.4 2,-0.2 -0.895 31.1 165.7 -97.8 122.4 10.9 -3.3 27.7 45 44 A C - 0 0 0 31,-2.3 2,-0.3 -2,-0.6 3,-0.1 -0.723 19.1-170.7-126.8 170.4 9.3 -6.1 25.7 46 45 A A > - 0 0 0 -2,-0.2 3,-1.3 31,-0.2 5,-0.5 -0.900 31.0-130.1-163.0 147.1 8.7 -7.1 22.1 47 46 A H G > S+ 0 0 36 31,-1.0 3,-1.9 -2,-0.3 5,-0.2 0.900 109.5 59.8 -58.5 -41.2 6.7 -9.8 20.3 48 47 A V G 3 S+ 0 0 24 1,-0.3 -1,-0.3 30,-0.3 74,-0.1 0.721 89.9 70.9 -64.4 -19.6 9.7 -10.7 18.2 49 48 A Y G < S- 0 0 41 -3,-1.3 -1,-0.3 1,-0.1 -27,-0.2 0.655 94.9-142.8 -72.0 -15.8 11.6 -11.5 21.4 50 49 A Q S < S+ 0 0 145 -3,-1.9 -3,-0.1 -4,-0.4 -2,-0.1 0.663 77.9 87.3 69.0 20.2 9.4 -14.6 21.7 51 50 A N > + 0 0 2 -5,-0.5 4,-2.2 2,-0.1 5,-0.2 0.213 42.2 112.3-134.1 15.3 9.2 -14.4 25.5 52 51 A E H > S+ 0 0 4 -6,-0.2 4,-2.7 1,-0.2 5,-0.2 0.855 76.5 58.2 -63.4 -33.8 6.2 -12.0 26.2 53 52 A N H > S+ 0 0 78 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.945 110.1 43.4 -58.2 -45.5 4.1 -14.8 27.7 54 53 A E H > S+ 0 0 57 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.859 112.6 51.6 -71.2 -38.3 6.8 -15.5 30.3 55 54 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 3,-0.3 0.928 109.5 52.6 -56.4 -47.2 7.3 -11.8 31.0 56 55 A G H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.867 100.5 59.6 -60.9 -36.9 3.6 -11.5 31.5 57 56 A V H X S+ 0 0 66 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.918 108.9 45.9 -56.8 -44.1 3.6 -14.4 34.0 58 57 A A H X S+ 0 0 0 -4,-1.4 4,-2.3 -3,-0.3 -2,-0.2 0.929 112.6 48.4 -65.4 -48.0 5.9 -12.3 36.2 59 58 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.952 113.3 48.1 -57.1 -47.8 4.0 -9.1 35.8 60 59 A Q H X S+ 0 0 83 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.883 109.8 51.5 -62.6 -40.2 0.7 -10.8 36.6 61 60 A E H X S+ 0 0 50 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.910 110.6 48.2 -64.6 -41.1 2.1 -12.5 39.7 62 61 A K H <>S+ 0 0 14 -4,-2.3 5,-2.2 2,-0.2 6,-1.0 0.864 113.1 48.1 -69.9 -32.3 3.5 -9.3 41.1 63 62 A L H ><5S+ 0 0 33 -4,-2.3 3,-1.0 -5,-0.2 -2,-0.2 0.934 113.6 47.7 -66.4 -45.0 0.2 -7.5 40.5 64 63 A R H 3<5S+ 0 0 150 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.896 111.3 49.8 -63.1 -42.2 -1.7 -10.4 42.1 65 64 A E T 3<5S- 0 0 91 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.550 110.7-126.5 -68.4 -16.5 0.7 -10.4 45.1 66 65 A Q T < 5 + 0 0 168 -3,-1.0 -3,-0.2 -4,-0.4 3,-0.1 0.821 68.5 135.7 65.3 35.4 0.1 -6.6 45.3 67 66 A V S > - 0 0 55 -2,-0.3 3,-1.7 -3,-0.1 4,-0.6 -0.745 29.8-116.7 -93.6 153.0 -0.2 -1.6 41.3 70 69 A R G >4 S+ 0 0 33 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.875 115.3 59.3 -57.9 -40.0 -0.8 -1.6 37.5 71 70 A E G 34 S+ 0 0 138 1,-0.3 -1,-0.3 3,-0.1 0, 0.0 0.707 101.0 56.1 -62.2 -23.5 -0.7 2.2 37.5 72 71 A E G <4 S+ 0 0 99 -3,-1.7 2,-0.3 2,-0.0 -1,-0.3 0.568 94.9 82.5 -84.8 -12.4 2.8 2.1 38.9 73 72 A L << - 0 0 3 -3,-1.6 2,-0.5 -4,-0.6 -31,-0.2 -0.689 60.8-158.5 -94.8 151.9 4.1 -0.1 36.1 74 73 A F E -e 42 0B 7 -33,-2.5 -31,-1.6 -2,-0.3 2,-0.5 -0.929 15.7-173.3-129.4 99.2 5.2 1.1 32.7 75 74 A I E -e 43 0B 0 -2,-0.5 31,-1.6 -33,-0.2 32,-1.5 -0.881 0.6-169.5-106.6 127.2 5.1 -1.7 30.2 76 75 A V E +ef 44 107B 0 -33,-2.4 -31,-2.3 -2,-0.5 2,-0.3 -0.916 10.2 166.2-114.4 134.8 6.5 -1.2 26.6 77 76 A S E - f 0 108B 0 30,-2.0 32,-2.2 -2,-0.4 2,-0.4 -0.831 21.7-130.7-138.4-176.9 6.2 -3.4 23.6 78 77 A K E - f 0 109B 0 -2,-0.3 -31,-1.0 30,-0.2 2,-0.5 -0.999 14.2-122.2-143.0 138.0 6.7 -3.1 19.9 79 78 A L E - f 0 110B 0 30,-2.8 32,-1.9 -2,-0.4 33,-0.4 -0.693 38.3-129.1 -76.7 119.8 4.9 -3.9 16.7 80 79 A W > - 0 0 9 -2,-0.5 3,-1.9 31,-0.1 36,-0.1 -0.299 19.3-108.3 -76.6 159.7 7.0 -6.3 14.6 81 80 A C G > S+ 0 0 0 1,-0.3 35,-2.6 2,-0.2 3,-0.9 0.709 114.0 61.6 -60.0 -27.9 7.8 -5.6 10.9 82 81 A T G 3 S+ 0 0 1 1,-0.2 -1,-0.3 33,-0.2 37,-0.3 0.353 101.2 56.4 -81.9 6.2 5.6 -8.3 9.5 83 82 A Y G < + 0 0 53 -3,-1.9 -1,-0.2 35,-0.1 5,-0.2 0.094 64.7 113.7-124.1 21.0 2.5 -6.5 11.0 84 83 A H < + 0 0 3 -3,-0.9 60,-0.1 32,-0.3 5,-0.1 0.787 51.7 107.6 -67.0 -18.9 2.8 -3.0 9.5 85 84 A E S >> S- 0 0 44 1,-0.1 3,-2.1 -3,-0.1 4,-1.3 -0.187 79.3-120.6 -60.2 141.1 -0.5 -3.6 7.5 86 85 A K H 3> S+ 0 0 106 1,-0.3 4,-0.5 2,-0.2 3,-0.4 0.861 112.7 48.0 -46.1 -48.6 -3.7 -1.7 8.5 87 86 A G H 34 S+ 0 0 73 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.429 113.8 47.3 -80.4 -3.8 -5.6 -4.9 9.1 88 87 A L H <> S+ 0 0 64 -3,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.594 88.6 79.1-108.7 -19.0 -2.8 -6.5 11.2 89 88 A V H X S+ 0 0 2 -4,-1.3 4,-2.4 -3,-0.4 5,-0.2 0.914 93.6 47.6 -63.8 -46.6 -1.8 -3.8 13.7 90 89 A K H X S+ 0 0 86 -4,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.934 113.4 47.9 -63.4 -44.1 -4.6 -4.2 16.2 91 90 A G H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.871 110.4 52.5 -64.7 -34.4 -4.3 -8.0 16.3 92 91 A A H X S+ 0 0 12 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.925 112.0 45.4 -64.2 -45.0 -0.6 -7.7 16.8 93 92 A C H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.940 112.8 51.0 -62.6 -44.1 -1.1 -5.3 19.7 94 93 A Q H X S+ 0 0 92 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.846 107.0 53.2 -64.5 -37.1 -3.8 -7.6 21.1 95 94 A K H X S+ 0 0 101 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.935 110.7 47.8 -62.5 -44.7 -1.6 -10.7 21.0 96 95 A T H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.929 111.8 50.3 -59.4 -45.8 1.1 -8.8 22.9 97 96 A L H X>S+ 0 0 13 -4,-2.7 5,-2.5 2,-0.2 4,-0.8 0.923 111.8 47.0 -59.0 -45.1 -1.5 -7.6 25.4 98 97 A S H ><5S+ 0 0 84 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.926 113.4 48.2 -67.5 -38.8 -2.8 -11.1 25.9 99 98 A D H 3<5S+ 0 0 20 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.905 113.1 48.2 -62.8 -44.4 0.7 -12.6 26.3 100 99 A L H 3<5S- 0 0 0 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.564 109.7-121.3 -75.5 -2.3 1.7 -9.9 28.8 101 100 A K T <<5 + 0 0 63 -4,-0.8 2,-0.3 -3,-0.7 -3,-0.2 0.886 68.4 134.7 59.6 44.4 -1.5 -10.3 30.9 102 101 A L < - 0 0 12 -5,-2.5 -1,-0.2 -6,-0.2 3,-0.1 -0.885 58.4-156.0-126.6 155.5 -2.4 -6.7 30.3 103 102 A D S S+ 0 0 151 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.699 88.0 7.7 -90.3 -27.8 -5.4 -4.7 29.4 104 103 A Y - 0 0 42 -7,-0.1 2,-0.4 3,-0.0 -1,-0.3 -0.975 67.8-127.9-147.1 156.5 -3.3 -1.8 28.0 105 104 A L B -k 154 0C 0 48,-2.0 50,-2.7 -2,-0.3 51,-0.4 -0.849 11.4-143.3-100.2 144.7 0.3 -1.0 27.2 106 105 A D S S+ 0 0 17 -31,-1.6 2,-0.3 -2,-0.4 -30,-0.2 0.835 89.8 8.0 -69.5 -34.1 1.9 2.2 28.5 107 106 A L E -f 76 0B 0 -32,-1.5 -30,-2.0 48,-0.2 2,-0.4 -0.971 62.4-168.6-152.2 133.1 3.9 2.5 25.3 108 107 A Y E -fg 77 157B 1 48,-1.8 50,-2.2 -2,-0.3 2,-0.4 -0.996 16.7-163.4-126.9 127.0 3.7 0.7 22.0 109 108 A L E -fg 78 158B 0 -32,-2.2 -30,-2.8 -2,-0.4 2,-0.8 -0.849 30.3-119.4-112.2 146.6 6.5 1.3 19.4 110 109 A I E -fg 79 159B 1 48,-2.1 50,-1.1 -2,-0.4 -30,-0.1 -0.737 35.6-149.6 -71.9 114.1 6.9 0.7 15.7 111 110 A H S S- 0 0 10 -32,-1.9 -1,-0.2 -2,-0.8 -31,-0.1 0.883 71.6 -0.9 -65.0 -44.3 9.9 -1.6 16.2 112 111 A W S S- 0 0 44 -33,-0.4 -1,-0.2 2,-0.2 49,-0.2 -0.977 71.1-121.4-138.6 152.6 11.7 -0.8 13.0 113 112 A P S S+ 0 0 1 0, 0.0 2,-0.2 0, 0.0 197,-0.1 0.833 87.3 88.2 -65.8 -28.8 10.6 1.6 10.2 114 113 A S - 0 0 4 195,-0.2 2,-0.4 193,-0.1 -2,-0.2 -0.504 66.0-148.5 -76.1 132.0 10.6 -1.1 7.6 115 114 A G - 0 0 0 21,-0.4 19,-2.0 19,-0.3 2,-0.3 -0.808 14.2-160.9 -94.0 142.2 7.5 -3.3 6.9 116 115 A F B -L 133 0D 5 -35,-2.6 -32,-0.3 -2,-0.4 3,-0.1 -0.821 36.5 -76.5-117.2 160.6 8.0 -6.9 5.7 117 116 A K - 0 0 99 15,-2.6 17,-0.1 -2,-0.3 15,-0.1 -0.250 56.8-113.5 -53.7 129.1 5.7 -9.3 4.0 118 117 A P + 0 0 44 0, 0.0 2,-0.3 0, 0.0 -35,-0.1 -0.291 65.3 95.2 -65.1 154.5 3.2 -10.7 6.5 119 118 A G S S- 0 0 41 -37,-0.3 -37,-0.1 1,-0.1 -3,-0.0 -0.942 87.9 -59.3 152.6-170.9 3.3 -14.4 7.4 120 119 A K S S+ 0 0 121 -2,-0.3 2,-0.3 3,-0.0 -1,-0.1 0.843 105.8 86.3 -70.4 -36.5 4.7 -16.8 10.0 121 120 A E - 0 0 130 1,-0.1 -2,-0.0 -3,-0.1 0, 0.0 -0.573 63.7-156.2 -65.8 125.5 8.3 -15.8 9.2 122 121 A F S S+ 0 0 40 -2,-0.3 -1,-0.1 1,-0.3 -41,-0.1 0.770 97.2 30.9 -72.3 -26.6 9.6 -12.8 11.2 123 122 A F S S- 0 0 77 -42,-0.1 -1,-0.3 -41,-0.0 2,-0.2 -0.731 83.5-164.7-129.5 78.6 12.2 -12.2 8.5 124 123 A P - 0 0 8 0, 0.0 8,-2.6 0, 0.0 2,-0.3 -0.513 15.6-164.3 -66.4 129.0 10.7 -13.4 5.2 125 124 A L B -M 131 0E 94 6,-0.3 6,-0.2 -2,-0.2 2,-0.1 -0.862 18.2-130.1-117.3 148.7 13.5 -13.8 2.6 126 125 A D > - 0 0 68 4,-2.6 3,-1.9 -2,-0.3 6,-0.1 -0.295 49.6 -88.0 -80.8 177.5 13.7 -14.1 -1.1 127 126 A E T 3 S+ 0 0 202 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.688 129.3 52.8 -69.7 -11.2 15.8 -17.0 -2.5 128 127 A S T 3 S- 0 0 106 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.336 121.3-102.7-103.5 9.5 18.9 -14.7 -2.5 129 128 A G S < S+ 0 0 30 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.525 75.0 135.1 88.7 6.7 18.5 -13.7 1.2 130 129 A N - 0 0 71 1,-0.1 -4,-2.6 174,-0.1 -1,-0.3 -0.693 62.5-106.6 -82.2 143.3 17.0 -10.2 0.9 131 130 A V B -M 125 0E 9 172,-2.6 -6,-0.3 -2,-0.3 -1,-0.1 -0.348 31.1-122.4 -63.7 144.9 14.1 -9.4 3.2 132 131 A V - 0 0 40 -8,-2.6 -15,-2.6 -15,-0.1 -1,-0.1 -0.827 31.5-144.5 -90.1 111.3 10.8 -9.3 1.4 133 132 A P B -L 116 0D 71 0, 0.0 2,-0.4 0, 0.0 -17,-0.3 -0.263 5.5-137.7 -70.7 155.2 9.3 -5.9 1.9 134 133 A S - 0 0 10 -19,-2.0 -19,-0.3 2,-0.1 -17,-0.1 -0.868 23.6-125.0 -91.2 154.5 5.7 -4.9 2.3 135 134 A D S S+ 0 0 148 -2,-0.4 2,-0.2 2,-0.0 -19,-0.1 0.101 71.6 124.1 -86.4 22.1 4.6 -1.7 0.4 136 135 A T - 0 0 14 4,-0.0 -21,-0.4 -21,-0.0 2,-0.3 -0.539 52.2-145.6 -72.1 147.6 3.3 -0.2 3.6 137 136 A N > - 0 0 63 -2,-0.2 4,-2.1 -53,-0.1 5,-0.2 -0.783 23.0-109.5-118.7 164.2 4.8 3.1 4.5 138 137 A I H > S+ 0 0 10 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.851 113.8 57.1 -64.4 -32.2 5.6 4.6 7.9 139 138 A L H > S+ 0 0 31 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.909 108.7 44.1 -68.9 -41.8 2.8 7.2 7.7 140 139 A D H > S+ 0 0 108 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.890 113.4 51.9 -69.6 -35.7 0.1 4.7 7.2 141 140 A T H X S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.916 107.9 53.3 -63.3 -40.4 1.6 2.5 9.9 142 141 A W H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.911 104.5 53.7 -59.1 -44.0 1.6 5.5 12.2 143 142 A A H X S+ 0 0 31 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.900 107.5 52.1 -57.6 -38.6 -2.1 6.1 11.5 144 143 A A H X S+ 0 0 11 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.886 108.2 50.9 -62.9 -39.7 -2.7 2.5 12.6 145 144 A M H >X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.2 3,-0.7 0.911 105.7 55.6 -63.2 -41.5 -0.8 3.2 15.8 146 145 A E H 3X S+ 0 0 14 -4,-2.5 4,-1.9 1,-0.3 3,-0.4 0.880 100.7 59.9 -59.2 -36.7 -2.9 6.3 16.5 147 146 A E H 3X S+ 0 0 113 -4,-1.6 4,-0.9 1,-0.2 -1,-0.3 0.843 98.6 58.1 -57.0 -39.8 -6.0 4.1 16.2 148 147 A L H <<>S+ 0 0 1 -4,-1.0 5,-1.7 -3,-0.7 6,-1.0 0.869 104.7 49.7 -62.9 -37.2 -4.7 2.0 19.1 149 148 A V H ><5S+ 0 0 33 -4,-1.2 3,-1.5 -3,-0.4 -1,-0.2 0.942 110.7 50.6 -61.6 -45.8 -4.6 5.1 21.4 150 149 A D H 3<5S+ 0 0 80 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.610 109.6 51.0 -72.5 -11.5 -8.2 5.9 20.4 151 150 A E T 3<5S- 0 0 81 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.373 113.3-115.8 -99.5 -4.5 -9.3 2.4 21.2 152 151 A G T < 5S+ 0 0 46 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.549 83.3 116.8 83.5 7.4 -7.7 2.4 24.7 153 152 A L S - 0 0 46 -2,-0.5 4,-2.8 -3,-0.1 5,-0.3 -0.236 33.8 -90.0 -79.2 175.5 16.5 8.1 11.6 164 163 A H H > S+ 0 0 78 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.910 127.1 48.8 -56.6 -45.9 16.2 11.9 11.6 165 164 A L H > S+ 0 0 114 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.873 112.2 49.3 -63.2 -37.0 14.4 12.0 8.2 166 165 A Q H > S+ 0 0 15 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.883 110.4 49.2 -71.8 -39.5 11.9 9.3 9.3 167 166 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.944 112.5 49.8 -59.4 -47.3 11.1 11.1 12.6 168 167 A E H X S+ 0 0 72 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.882 105.6 57.0 -58.5 -40.9 10.7 14.3 10.5 169 168 A M H < S+ 0 0 93 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.921 109.8 44.5 -58.7 -45.3 8.4 12.4 8.1 170 169 A I H >< S+ 0 0 0 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.938 112.6 50.4 -61.9 -49.1 6.1 11.4 11.0 171 170 A L H 3< S+ 0 0 29 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.830 114.6 45.5 -61.1 -29.6 6.2 14.9 12.5 172 171 A N T 3< S+ 0 0 112 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.294 83.0 136.1 -91.5 4.9 5.3 16.3 9.1 173 172 A K X - 0 0 35 -3,-1.7 3,-2.0 -4,-0.2 2,-0.1 -0.289 64.1-111.4 -59.4 126.2 2.6 13.7 8.5 174 173 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.403 102.6 8.5 -56.1 130.8 -0.6 15.3 7.0 175 174 A G T 3 S- 0 0 75 1,-0.2 -2,-0.1 -2,-0.1 -3,-0.0 0.642 86.0-175.8 72.1 19.0 -3.3 15.1 9.6 176 175 A L < - 0 0 49 -3,-2.0 -1,-0.2 1,-0.1 3,-0.1 -0.183 8.5-178.8 -49.1 127.3 -1.0 13.9 12.4 177 176 A K + 0 0 121 1,-0.3 2,-0.4 0, 0.0 -1,-0.1 0.835 66.1 21.7 -99.7 -45.8 -3.1 13.2 15.4 178 177 A Y S S- 0 0 76 -22,-0.0 -1,-0.3 -169,-0.0 -32,-0.1 -0.995 73.8-136.4-127.0 126.6 -0.5 12.1 18.1 179 178 A K - 0 0 121 -2,-0.4 -22,-0.3 -171,-0.1 2,-0.1 -0.437 41.1 -91.0 -66.5 152.2 3.2 12.9 18.0 180 179 A P - 0 0 0 0, 0.0 -22,-0.3 0, 0.0 -1,-0.1 -0.452 31.9-156.7 -61.3 137.6 5.5 10.0 18.8 181 180 A A S S+ 0 0 2 -24,-3.0 25,-2.3 1,-0.2 2,-0.3 0.763 71.6 16.7 -81.6 -32.8 6.2 10.0 22.5 182 181 A V E - i 0 206B 0 -25,-0.3 -23,-2.7 23,-0.2 2,-0.4 -0.989 51.7-157.2-141.6 144.7 9.5 8.1 22.3 183 182 A N E -hi 159 207B 0 23,-2.0 25,-1.6 -2,-0.3 2,-0.6 -0.991 20.7-157.0-119.7 115.5 12.2 7.1 19.8 184 183 A Q E +hi 160 208B 4 -25,-2.1 -23,-2.1 -2,-0.4 2,-0.3 -0.862 26.3 159.9 -97.0 118.3 14.0 4.1 21.1 185 184 A I E - i 0 209B 4 23,-2.6 25,-2.5 -2,-0.6 2,-0.2 -0.924 46.9 -88.5-136.9 160.0 17.5 3.9 19.5 186 185 A E E + i 0 210B 0 -2,-0.3 2,-0.3 23,-0.2 25,-0.2 -0.490 54.2 165.0 -67.6 135.1 20.8 2.2 20.1 187 186 A C + 0 0 2 23,-2.2 5,-0.2 -2,-0.2 27,-0.1 -0.900 9.7 122.1-161.0 130.9 23.0 4.5 22.3 188 187 A H B > S-N 191 0F 4 3,-1.5 3,-2.0 -2,-0.3 25,-0.1 -0.921 74.8 -70.1-168.9 177.8 26.1 4.0 24.3 189 188 A P T 3 S+ 0 0 0 0, 0.0 3,-0.3 0, 0.0 60,-0.0 0.711 131.3 50.6 -60.1 -20.9 29.7 5.5 24.4 190 189 A Y T 3 S+ 0 0 10 1,-0.3 106,-2.3 103,-0.2 104,-2.1 0.519 123.4 29.8 -89.9 -7.8 30.6 3.9 21.1 191 190 A L B < S+N 188 0F 6 -3,-2.0 -3,-1.5 104,-0.2 -1,-0.3 -0.696 72.9 171.5-148.5 80.4 27.4 5.2 19.3 192 191 A T - 0 0 0 -3,-0.3 5,-0.1 -5,-0.2 -1,-0.1 0.694 22.8-154.1 -82.4 -18.7 26.7 8.4 21.1 193 192 A Q > + 0 0 29 1,-0.1 4,-2.6 3,-0.1 5,-0.3 0.751 31.1 158.8 62.0 32.2 23.9 9.6 18.8 194 193 A E H > S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.906 70.4 47.3 -60.2 -41.0 24.3 13.3 19.5 195 194 A K H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.944 115.8 41.6 -67.6 -48.9 22.7 14.5 16.3 196 195 A L H > S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.901 115.0 52.2 -67.6 -38.3 19.6 12.3 16.5 197 196 A I H X S+ 0 0 6 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.938 109.6 48.2 -62.0 -47.4 19.2 12.8 20.2 198 197 A Q H X S+ 0 0 122 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.919 112.4 50.0 -60.3 -42.8 19.3 16.6 19.9 199 198 A Y H X S+ 0 0 26 -4,-2.1 4,-1.0 -5,-0.2 -2,-0.2 0.968 114.9 42.5 -57.1 -54.8 16.7 16.5 17.0 200 199 A C H ><>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 3,-1.1 0.942 114.5 49.6 -62.4 -46.9 14.3 14.3 18.9 201 200 A Q H ><5S+ 0 0 59 -4,-2.9 3,-1.7 1,-0.3 -1,-0.2 0.908 106.0 57.5 -61.0 -36.5 14.7 16.2 22.2 202 201 A S H 3<5S+ 0 0 71 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.740 107.9 48.5 -64.5 -22.6 14.1 19.5 20.4 203 202 A K T <<5S- 0 0 97 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.298 121.5-107.4 -98.4 5.2 10.8 18.1 19.2 204 203 A G T < 5S+ 0 0 40 -3,-1.7 2,-0.5 1,-0.3 -196,-0.4 0.648 74.0 139.3 73.8 19.0 9.8 16.9 22.7 205 204 A I < - 0 0 2 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.3 -0.814 50.3-132.8 -91.2 129.1 10.3 13.3 21.8 206 205 A V E -i 182 0B 12 -25,-2.3 -23,-2.0 -2,-0.5 2,-0.5 -0.638 17.7-139.9 -82.4 138.2 11.9 11.3 24.7 207 206 A V E -i 183 0B 0 50,-0.4 52,-2.3 -2,-0.3 2,-0.5 -0.852 9.3-158.4-101.6 131.5 14.8 9.1 23.6 208 207 A T E -ij 184 259B 0 -25,-1.6 -23,-2.6 -2,-0.5 2,-0.6 -0.947 13.6-140.7-105.1 128.4 15.3 5.6 25.0 209 208 A A E -ij 185 260B 0 50,-3.2 52,-1.5 -2,-0.5 2,-0.2 -0.830 19.4-168.4 -90.5 117.4 18.8 4.1 24.8 210 209 A Y E +i 186 0B 19 -25,-2.5 -23,-2.2 -2,-0.6 4,-0.1 -0.628 66.7 24.3-100.0 166.0 18.9 0.5 24.0 211 210 A S S > S+ 0 0 16 50,-0.3 3,-2.1 -2,-0.2 -1,-0.2 0.880 70.5 165.3 48.7 46.9 22.0 -1.8 24.2 212 211 A P T 3 S+ 0 0 5 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.703 73.8 46.9 -68.7 -19.0 23.5 0.6 26.7 213 212 A L T 3 S- 0 0 23 -25,-0.1 16,-0.5 50,-0.0 15,-0.2 0.294 125.1-101.0 -97.2 6.5 26.1 -2.1 27.7 214 213 A G < - 0 0 4 -3,-2.1 4,-0.2 1,-0.2 -3,-0.1 0.621 50.3 -95.5 79.9 17.3 26.9 -2.9 24.1 215 214 A S > - 0 0 8 1,-0.1 3,-2.4 2,-0.1 -1,-0.2 0.896 48.8-175.6 43.2 61.3 24.8 -6.0 24.0 216 215 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.740 81.2 53.7 -61.9 -23.1 27.7 -8.4 24.8 217 216 A D T 3 S+ 0 0 65 3,-0.0 -2,-0.1 2,-0.0 -3,-0.0 0.289 73.7 135.2 -91.3 7.5 25.2 -11.4 24.3 218 217 A R X - 0 0 19 -3,-2.4 3,-1.7 -4,-0.2 81,-0.0 -0.277 62.6-127.4 -55.1 139.4 24.1 -10.3 20.8 219 218 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.724 104.4 53.5 -70.7 -16.6 24.1 -13.4 18.7 220 219 A W T 3 S+ 0 0 116 78,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.179 76.0 140.0-100.6 10.3 26.2 -11.9 16.0 221 220 A A < - 0 0 46 -3,-1.7 -6,-0.0 -6,-0.1 77,-0.0 -0.306 35.1-159.4 -55.8 141.1 29.1 -10.8 18.2 222 221 A K > - 0 0 46 1,-0.1 3,-1.7 0, 0.0 -2,-0.1 -0.866 27.5-111.9-121.9 157.5 32.5 -11.3 16.8 223 222 A P T 3 S+ 0 0 138 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.797 111.6 54.8 -47.4 -42.6 35.9 -11.5 18.5 224 223 A E T 3 S+ 0 0 91 2,-0.0 -3,-0.0 -3,-0.0 0, 0.0 0.473 81.1 114.0 -74.7 -13.9 37.2 -8.3 17.1 225 224 A D S < S- 0 0 50 -3,-1.7 -4,-0.0 1,-0.1 71,-0.0 -0.302 74.8-101.2 -72.3 150.1 34.4 -6.1 18.2 226 225 A P - 0 0 38 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.282 31.9-145.6 -65.6 154.9 34.9 -3.3 20.8 227 226 A S > - 0 0 56 1,-0.1 3,-0.5 2,-0.0 4,-0.4 -0.921 13.8-170.9-127.2 104.7 33.8 -4.1 24.3 228 227 A L G > S+ 0 0 3 -2,-0.5 3,-1.3 1,-0.2 6,-0.2 0.897 89.2 54.1 -57.8 -46.3 32.3 -1.3 26.5 229 228 A L G 3 S+ 0 0 49 -16,-0.5 -1,-0.2 1,-0.3 16,-0.1 0.765 115.0 40.8 -66.7 -21.1 32.3 -3.3 29.6 230 229 A E G < S+ 0 0 88 -3,-0.5 -1,-0.3 15,-0.1 -2,-0.2 0.356 81.4 123.3-102.4 2.2 36.0 -4.2 29.2 231 230 A D X> - 0 0 8 -3,-1.3 4,-2.6 -4,-0.4 3,-0.7 -0.523 55.1-149.2 -71.8 118.8 37.1 -0.7 28.0 232 231 A P H 3> S+ 0 0 100 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.811 94.7 59.1 -62.3 -26.4 39.8 0.3 30.5 233 232 A R H 3> S+ 0 0 111 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.878 110.4 41.7 -68.3 -37.3 38.9 4.0 30.1 234 233 A I H <> S+ 0 0 0 -3,-0.7 4,-2.4 2,-0.2 5,-0.2 0.907 111.1 56.1 -78.1 -38.1 35.3 3.4 31.2 235 234 A K H X S+ 0 0 49 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.884 104.4 55.0 -58.7 -36.0 36.5 1.1 34.0 236 235 A A H X S+ 0 0 60 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.904 106.9 48.7 -65.6 -41.8 38.7 3.9 35.3 237 236 A I H X S+ 0 0 14 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.936 112.5 49.8 -61.4 -43.9 35.7 6.3 35.5 238 237 A A H <>S+ 0 0 4 -4,-2.4 5,-2.5 1,-0.2 4,-0.5 0.929 109.7 50.3 -58.9 -47.1 33.8 3.5 37.4 239 238 A A H ><5S+ 0 0 76 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.890 106.1 55.9 -61.1 -40.5 36.7 3.0 39.8 240 239 A K H 3<5S+ 0 0 136 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.870 114.4 39.6 -60.1 -36.7 36.9 6.7 40.5 241 240 A H T 3<5S- 0 0 44 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.385 110.2-120.6 -92.6 3.5 33.2 6.6 41.5 242 241 A N T < 5S+ 0 0 145 -3,-1.2 2,-0.3 -4,-0.5 -3,-0.2 0.882 76.1 117.7 51.7 45.3 33.4 3.3 43.3 243 242 A K S - 0 0 49 -2,-0.3 4,-2.1 28,-0.1 5,-0.2 -0.487 33.0-113.4 -80.2 162.0 30.8 -0.9 38.4 245 244 A T H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.917 120.3 54.5 -61.1 -41.7 31.4 -0.2 34.6 246 245 A A H > S+ 0 0 9 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.902 105.3 52.6 -59.2 -41.8 27.8 -1.3 34.0 247 246 A Q H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.901 110.0 47.9 -61.5 -40.3 26.6 1.3 36.5 248 247 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.919 110.0 52.6 -61.0 -45.4 28.5 4.0 34.8 249 248 A L H < S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.774 113.5 44.2 -62.7 -27.4 27.1 2.9 31.4 250 249 A I H X S+ 0 0 0 -4,-1.7 4,-1.3 -5,-0.2 -2,-0.2 0.864 112.7 49.6 -83.9 -41.4 23.6 3.1 32.8 251 250 A R H X S+ 0 0 19 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.846 99.5 70.2 -65.3 -33.8 24.0 6.4 34.6 252 251 A F H < S+ 0 0 1 -4,-2.2 4,-0.5 1,-0.2 3,-0.4 0.949 102.7 38.6 -50.7 -59.3 25.5 8.0 31.4 253 252 A P H >4>S+ 0 0 4 0, 0.0 5,-2.2 0, 0.0 3,-1.6 0.888 110.2 62.6 -64.7 -32.6 22.3 8.1 29.3 254 253 A M H ><5S+ 0 0 2 -4,-1.3 3,-1.5 1,-0.3 -2,-0.2 0.911 102.0 50.8 -56.6 -41.3 20.3 9.0 32.4 255 254 A Q T 3<5S+ 0 0 49 -4,-2.0 -1,-0.3 -3,-0.4 -3,-0.1 0.569 103.1 59.8 -75.4 -9.3 22.3 12.3 32.7 256 255 A R T < 5S- 0 0 30 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.187 123.5-104.8 -94.2 9.4 21.6 13.0 29.0 257 256 A N T < 5S+ 0 0 107 -3,-1.5 -50,-0.4 1,-0.3 2,-0.3 0.750 79.4 136.8 68.0 30.2 17.8 13.0 29.8 258 257 A L < - 0 0 0 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.3 -0.676 56.7-126.1-100.2 156.9 17.5 9.6 28.2 259 258 A V E - j 0 208B 0 -52,-2.3 -50,-3.2 -2,-0.3 2,-0.4 -0.754 30.3-157.2 -86.8 149.3 15.6 6.5 29.3 260 259 A V E -bj 16 209B 0 -245,-2.8 -243,-2.4 -2,-0.3 -50,-0.2 -0.994 15.7-168.8-139.7 141.6 17.8 3.4 29.5 261 260 A I - 0 0 10 -52,-1.5 -50,-0.3 -2,-0.4 -243,-0.1 -0.483 9.9-175.8-133.5 62.4 16.9 -0.3 29.4 262 261 A P - 0 0 1 0, 0.0 -243,-2.0 0, 0.0 2,-0.4 -0.324 19.7-136.6 -61.1 140.8 19.8 -2.6 30.3 263 262 A K B +d 19 0B 51 -245,-0.2 2,-0.3 -242,-0.0 -243,-0.1 -0.814 33.3 152.0 -99.2 137.0 19.0 -6.3 30.0 264 263 A S - 0 0 6 -245,-0.6 -241,-0.1 -2,-0.4 0, 0.0 -0.962 31.8-172.9-154.4 149.0 19.9 -8.9 32.5 265 264 A V + 0 0 23 -2,-0.3 3,-0.1 -234,-0.0 -1,-0.1 0.245 67.1 100.2-110.6 7.9 18.7 -12.3 33.7 266 265 A T >> - 0 0 46 1,-0.2 4,-2.6 -235,-0.0 3,-0.7 -0.822 67.8-147.1 -95.5 116.2 21.2 -12.5 36.5 267 266 A P H 3> S+ 0 0 52 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.853 96.8 50.7 -54.2 -41.0 19.5 -11.5 39.8 268 267 A E H 3> S+ 0 0 139 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.872 113.9 45.6 -64.0 -36.8 22.6 -9.8 41.3 269 268 A R H <> S+ 0 0 146 -3,-0.7 4,-3.0 2,-0.2 -1,-0.2 0.879 107.3 57.4 -74.1 -38.0 23.1 -7.7 38.1 270 269 A I H X S+ 0 0 0 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.949 112.8 42.0 -54.2 -47.9 19.5 -6.8 37.9 271 270 A A H >X S+ 0 0 19 -4,-2.1 3,-0.9 -5,-0.2 4,-0.7 0.933 114.7 50.2 -66.3 -45.7 19.8 -5.4 41.4 272 271 A E H >< S+ 0 0 56 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.916 105.8 56.6 -56.3 -43.9 23.2 -3.7 40.7 273 272 A N H 3< S+ 0 0 5 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.698 104.1 54.0 -65.9 -23.0 22.0 -2.1 37.5 274 273 A F H << S+ 0 0 44 -3,-0.9 2,-1.9 -4,-0.8 3,-0.4 0.638 85.9 84.9 -81.1 -18.1 19.2 -0.4 39.5 275 274 A K << + 0 0 125 -3,-1.4 -1,-0.2 -4,-0.7 3,-0.1 -0.414 59.7 103.2 -89.3 63.4 21.6 1.2 42.0 276 275 A V + 0 0 0 -2,-1.9 3,-0.4 -3,-0.1 -1,-0.2 0.205 52.0 81.3-128.6 9.6 22.3 4.1 39.9 277 276 A F S S+ 0 0 53 -3,-0.4 -2,-0.1 1,-0.2 -1,-0.1 0.360 83.6 62.6 -99.2 3.2 20.3 6.9 41.5 278 277 A D S S+ 0 0 111 -3,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.138 96.4 54.1-120.7 18.7 22.8 7.8 44.2 279 278 A F - 0 0 23 -3,-0.4 2,-0.4 2,-0.0 -38,-0.0 -0.957 64.2-144.9-146.8 159.4 25.9 9.0 42.3 280 279 A E - 0 0 60 -2,-0.3 2,-0.3 -39,-0.0 -3,-0.0 -0.992 9.8-138.7-129.3 135.2 26.6 11.6 39.6 281 280 A L - 0 0 6 -2,-0.4 2,-0.0 -30,-0.1 -2,-0.0 -0.674 33.2-120.4 -79.8 136.5 29.0 11.6 36.7 282 281 A S > - 0 0 49 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.303 23.6-107.0 -70.7 165.5 30.7 15.0 36.4 283 282 A S H > S+ 0 0 97 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.903 124.8 52.9 -56.3 -41.5 30.4 17.1 33.2 284 283 A Q H > S+ 0 0 145 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.908 107.7 50.2 -64.0 -41.1 33.9 16.1 32.4 285 284 A D H > S+ 0 0 5 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.918 111.3 49.8 -59.1 -43.8 33.1 12.4 32.9 286 285 A M H X S+ 0 0 21 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.937 112.5 45.1 -61.9 -48.3 30.1 12.9 30.5 287 286 A T H X S+ 0 0 86 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.890 112.2 53.2 -65.6 -36.7 32.2 14.6 27.8 288 287 A T H < S+ 0 0 46 -4,-2.5 4,-0.4 -5,-0.2 3,-0.2 0.942 109.6 47.2 -62.3 -46.3 34.9 12.0 28.2 289 288 A L H >< S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.912 110.1 53.7 -60.8 -42.1 32.4 9.2 27.7 290 289 A L H >< S+ 0 0 41 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.835 97.8 66.9 -58.6 -32.3 31.0 11.0 24.7 291 290 A S T 3< S+ 0 0 83 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.645 85.5 71.3 -67.2 -14.1 34.5 11.2 23.3 292 291 A Y T < + 0 0 23 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.461 67.6 134.0 -82.7 0.5 34.5 7.4 22.8 293 292 A N < + 0 0 51 -3,-1.7 -103,-0.2 1,-0.1 -102,-0.2 -0.202 18.9 161.9 -54.2 134.8 32.1 7.5 19.9 294 293 A R - 0 0 143 -104,-2.1 -103,-0.2 2,-0.1 -1,-0.1 0.205 57.4-111.7-135.5 14.8 33.1 5.4 17.0 295 294 A N + 0 0 123 -105,-0.6 2,-0.6 1,-0.2 -104,-0.2 0.887 61.9 161.6 51.1 43.1 29.8 5.0 15.2 296 295 A W - 0 0 41 -106,-2.3 2,-0.5 -71,-0.0 -1,-0.2 -0.854 22.4-158.9 -98.1 120.9 29.7 1.3 16.1 297 296 A R - 0 0 78 -2,-0.6 3,-0.1 1,-0.2 -106,-0.0 -0.895 22.6-171.9-108.3 122.9 26.3 -0.3 15.9 298 297 A V S S+ 0 0 2 -2,-0.5 2,-0.8 1,-0.2 -1,-0.2 0.888 83.4 58.1 -57.7 -49.0 25.2 -3.5 17.7 299 298 A C + 0 0 14 2,-0.0 2,-0.3 -88,-0.0 -1,-0.2 -0.824 68.3 109.7-109.6 106.1 22.1 -3.5 15.8 300 299 A A - 0 0 41 -2,-0.8 2,-0.3 -3,-0.1 5,-0.0 -0.903 42.5-152.9-159.2 159.8 22.2 -3.6 12.0 301 300 A L > - 0 0 65 -2,-0.3 3,-1.8 1,-0.1 4,-0.4 -0.830 12.4-154.5-154.6 114.7 21.3 -6.3 9.6 302 301 A L G > S+ 0 0 149 -2,-0.3 3,-1.6 1,-0.3 4,-0.3 0.828 93.5 62.4 -57.0 -40.2 22.6 -7.0 6.2 303 302 A S G 3 S+ 0 0 31 1,-0.3 -172,-2.6 2,-0.1 -1,-0.3 0.731 109.6 42.8 -60.7 -20.5 19.5 -8.9 4.9 304 303 A C G X S+ 0 0 9 -3,-1.8 3,-1.9 -174,-0.2 -1,-0.3 0.441 82.1 100.7-104.4 -1.0 17.4 -5.7 5.4 305 304 A T T < S+ 0 0 62 -3,-1.6 -1,-0.1 -4,-0.4 -2,-0.1 0.655 81.1 51.5 -69.1 -16.1 19.8 -3.1 4.0 306 305 A S T 3 S+ 0 0 103 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.1 0.442 79.2 117.0 -97.6 1.1 18.1 -2.8 0.7 307 306 A H S X S- 0 0 10 -3,-1.9 3,-2.0 1,-0.1 -193,-0.1 -0.446 76.0-123.1 -61.2 139.9 14.7 -2.2 2.2 308 307 A K T 3 S+ 0 0 127 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.785 110.1 41.8 -57.2 -28.3 13.5 1.3 1.1 309 308 A D T 3 S+ 0 0 29 -194,-0.1 -1,-0.3 -197,-0.0 -195,-0.2 0.231 74.8 138.8-107.0 13.3 13.0 2.3 4.8 310 309 A Y < - 0 0 44 -3,-2.0 -5,-0.0 -6,-0.2 -148,-0.0 -0.393 46.5-147.2 -58.0 131.0 16.2 0.7 6.2 311 310 A P 0 0 8 0, 0.0 -1,-0.2 0, 0.0 -145,-0.1 0.627 360.0 360.0 -85.1 -16.1 17.3 3.4 8.6 312 311 A F 0 0 89 -149,-0.1 -2,-0.1 -150,-0.0 -7,-0.0 0.656 360.0 360.0-111.1 360.0 21.1 3.3 8.7