==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-FEB-06 2FZB . COMPND 2 MOLECULE: ALDOSE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.STEUBER,M.ZENTGRAF,C.GERLACH,C.A.SOTRIFFER,A.HEINE,G.KLEBE . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13730.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 11.1 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 . 14 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 26.9 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 1 2 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 3 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 0 104 0, 0.0 2,-0.1 0, 0.0 254,-0.0 0.000 360.0 360.0 360.0 123.7 18.0 11.3 43.4 2 1 A A - 0 0 80 1,-0.1 13,-0.1 2,-0.1 0, 0.0 -0.386 360.0-141.5 -65.3 139.0 14.2 11.2 42.7 3 2 A S S S+ 0 0 67 -2,-0.1 12,-2.5 11,-0.1 13,-0.4 0.626 75.4 52.0 -89.7 -5.1 13.4 7.8 41.6 4 3 A R E -A 14 0A 122 10,-0.3 2,-0.4 11,-0.1 -2,-0.1 -0.879 65.0-147.7-125.2 156.0 10.8 8.7 38.8 5 4 A I E -A 13 0A 18 8,-2.4 8,-2.8 -2,-0.3 2,-0.4 -0.949 26.6-111.7-120.6 142.0 10.8 11.0 35.9 6 5 A L E -A 12 0A 105 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.598 28.8-151.0 -79.0 127.6 7.8 12.9 34.5 7 6 A L > - 0 0 3 4,-3.2 3,-2.4 -2,-0.4 198,-0.1 -0.554 28.1-110.7 -91.3 156.8 6.5 11.9 31.1 8 7 A N T 3 S+ 0 0 65 196,-0.4 171,-0.1 173,-0.3 -1,-0.1 0.408 117.4 61.9 -73.0 6.8 4.7 14.1 28.6 9 8 A N T 3 S- 0 0 64 2,-0.2 -1,-0.3 172,-0.1 3,-0.1 0.259 121.6-105.2-106.9 6.8 1.5 12.2 29.3 10 9 A G S < S+ 0 0 58 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.319 82.0 121.3 90.6 -7.9 1.5 13.2 33.0 11 10 A A - 0 0 15 144,-0.1 -4,-3.2 95,-0.1 2,-0.5 -0.540 60.1-124.6 -91.6 157.7 2.7 9.9 34.4 12 11 A K E -A 6 0A 89 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.0 -0.890 21.1-159.7-106.2 125.0 5.8 9.2 36.4 13 12 A M E -A 5 0A 1 -8,-2.8 -8,-2.4 -2,-0.5 2,-0.1 -0.913 22.4-117.9-108.7 125.7 8.3 6.6 35.1 14 13 A P E -A 4 0A 12 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.376 18.3-143.2 -61.9 131.4 10.9 4.9 37.4 15 14 A I S S+ 0 0 8 -12,-2.5 245,-2.8 1,-0.1 2,-0.5 0.589 85.3 53.1 -76.9 -11.0 14.3 5.7 36.2 16 15 A L B S+b 260 0B 3 -13,-0.4 26,-0.5 243,-0.2 25,-0.5 -0.976 71.1 162.5-125.5 116.0 15.8 2.3 37.0 17 16 A G E -c 42 0B 0 243,-2.7 2,-0.5 -2,-0.5 26,-0.2 -0.766 39.1-101.2-125.9 175.0 14.0 -0.7 35.6 18 17 A L E -c 43 0B 2 24,-2.3 26,-3.2 -2,-0.3 245,-0.2 -0.841 29.0-145.6 -99.9 123.2 14.7 -4.4 35.0 19 18 A G E -cd 44 263B 5 243,-2.1 245,-0.6 -2,-0.5 26,-0.1 -0.569 12.9-173.8 -82.5 150.9 15.6 -5.6 31.4 20 19 A T > + 0 0 0 24,-0.7 3,-1.6 -2,-0.2 2,-0.3 0.246 36.3 127.1-131.6 10.2 14.4 -9.0 30.3 21 20 A W T 3 S+ 0 0 72 1,-0.3 28,-0.1 23,-0.1 -2,-0.1 -0.612 89.4 8.7 -70.8 128.0 15.9 -9.6 26.8 22 21 A K T 3 S+ 0 0 49 -2,-0.3 -1,-0.3 1,-0.3 28,-0.0 0.552 90.5 140.0 76.7 8.0 17.7 -13.0 27.0 23 22 A S < - 0 0 5 -3,-1.6 -1,-0.3 241,-0.1 5,-0.1 -0.773 57.5-121.8 -79.2 114.7 16.3 -13.8 30.5 24 23 A P >> - 0 0 53 0, 0.0 3,-2.2 0, 0.0 4,-1.6 -0.335 11.8-123.1 -62.3 142.5 15.4 -17.5 30.2 25 24 A P H 3> S+ 0 0 64 0, 0.0 4,-0.7 0, 0.0 3,-0.1 0.855 111.3 58.3 -48.6 -35.9 11.8 -18.4 30.9 26 25 A G H 34 S+ 0 0 81 1,-0.2 4,-0.1 2,-0.1 25,-0.0 0.635 117.0 29.7 -74.8 -12.1 12.9 -20.7 33.7 27 26 A Q H <> S+ 0 0 89 -3,-2.2 4,-1.8 2,-0.1 -1,-0.2 0.515 99.7 79.6-117.1 -14.5 14.7 -17.9 35.6 28 27 A V H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.771 86.2 59.5 -78.1 -24.6 12.8 -14.7 34.8 29 28 A T H X S+ 0 0 26 -4,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.972 111.6 41.0 -66.5 -47.0 9.9 -15.3 37.2 30 29 A E H > S+ 0 0 105 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.882 113.8 55.7 -62.3 -35.5 12.4 -15.4 40.2 31 30 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.940 110.2 42.5 -63.5 -48.5 14.2 -12.5 38.7 32 31 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.855 113.8 53.2 -65.2 -38.3 11.2 -10.3 38.5 33 32 A K H X S+ 0 0 57 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.944 112.0 43.5 -62.5 -46.1 10.1 -11.3 42.0 34 33 A V H X S+ 0 0 31 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.909 111.4 55.9 -64.9 -40.3 13.4 -10.5 43.5 35 34 A A H X>S+ 0 0 0 -4,-2.4 5,-2.5 -5,-0.3 4,-0.7 0.951 109.0 46.6 -55.1 -49.5 13.6 -7.2 41.5 36 35 A I H ><5S+ 0 0 1 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.899 109.7 55.0 -61.7 -37.9 10.2 -6.2 43.0 37 36 A D H 3<5S+ 0 0 87 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.863 109.6 45.5 -62.2 -37.6 11.3 -7.2 46.5 38 37 A V H 3<5S- 0 0 58 -4,-2.1 -1,-0.2 -3,-0.2 -2,-0.2 0.412 132.0 -83.6 -93.6 2.6 14.4 -5.0 46.4 39 38 A G T <<5S+ 0 0 24 -3,-0.9 -3,-0.2 -4,-0.7 2,-0.1 0.268 76.8 140.4 125.8 -6.8 12.6 -2.0 44.9 40 39 A Y < + 0 0 0 -5,-2.5 -1,-0.4 -6,-0.2 -23,-0.1 -0.417 12.7 166.5 -66.6 140.3 12.3 -2.2 41.2 41 40 A R + 0 0 67 -25,-0.5 33,-3.8 1,-0.1 2,-0.5 0.452 58.1 73.3-122.9 -15.9 8.9 -1.0 39.9 42 41 A H E -ce 17 74B 0 -26,-0.5 -24,-2.3 31,-0.2 2,-0.4 -0.906 57.4-175.7-106.7 125.6 9.7 -0.8 36.2 43 42 A I E -ce 18 75B 0 31,-1.6 33,-2.4 -2,-0.5 2,-0.6 -0.991 15.8-147.1-118.7 127.4 10.0 -4.0 34.1 44 43 A D E +ce 19 76B 4 -26,-3.2 -24,-0.7 -2,-0.4 2,-0.2 -0.881 31.5 166.6 -99.1 120.1 11.1 -3.7 30.5 45 44 A C - 0 0 0 31,-2.6 2,-0.3 -2,-0.6 3,-0.1 -0.688 19.5-170.5-125.7 170.5 9.4 -6.4 28.4 46 45 A A > - 0 0 0 -2,-0.2 3,-1.3 31,-0.2 5,-0.5 -0.905 31.5-129.0-161.6 147.8 8.8 -7.4 24.8 47 46 A H G > S+ 0 0 18 31,-1.0 3,-2.0 -2,-0.3 5,-0.2 0.907 110.7 57.9 -58.3 -41.7 6.8 -10.0 23.0 48 47 A V G 3 S+ 0 0 20 1,-0.3 -1,-0.3 30,-0.3 74,-0.1 0.673 90.2 70.8 -68.6 -13.4 9.8 -11.0 21.0 49 48 A Y G < S- 0 0 35 -3,-1.3 -1,-0.3 1,-0.1 -27,-0.2 0.621 94.1-145.1 -76.2 -12.0 11.7 -11.8 24.2 50 49 A Q S < S+ 0 0 110 -3,-2.0 -2,-0.1 -4,-0.3 -3,-0.1 0.704 75.9 89.6 60.2 29.6 9.4 -14.9 24.5 51 50 A N > + 0 0 0 -5,-0.5 4,-2.0 2,-0.1 5,-0.2 0.184 41.4 112.4-137.1 18.3 9.2 -14.7 28.3 52 51 A E H > S+ 0 0 4 -6,-0.2 4,-2.5 -5,-0.2 5,-0.1 0.840 75.6 59.4 -65.9 -29.4 6.2 -12.4 29.0 53 52 A N H > S+ 0 0 77 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.975 108.8 43.9 -60.3 -46.5 4.2 -15.3 30.4 54 53 A E H > S+ 0 0 55 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.847 111.4 52.8 -73.5 -30.3 6.8 -15.9 33.1 55 54 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.932 108.0 54.0 -62.7 -39.7 7.2 -12.2 33.8 56 55 A G H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.838 102.7 55.5 -61.0 -38.2 3.4 -12.2 34.2 57 56 A V H X S+ 0 0 73 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.898 108.5 48.9 -63.5 -40.5 3.6 -15.0 36.8 58 57 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.887 112.2 47.2 -63.9 -46.2 6.0 -12.9 38.9 59 58 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.952 112.6 48.9 -65.8 -45.1 3.9 -9.8 38.8 60 59 A Q H X S+ 0 0 73 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.912 110.0 52.1 -61.1 -38.8 0.7 -11.6 39.6 61 60 A E H X S+ 0 0 56 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.913 110.3 47.9 -63.7 -39.5 2.4 -13.3 42.6 62 61 A K H X>S+ 0 0 13 -4,-2.1 5,-2.2 2,-0.2 6,-0.9 0.871 111.7 49.9 -77.3 -30.6 3.7 -10.0 44.0 63 62 A L H ><5S+ 0 0 39 -4,-2.6 3,-1.1 -5,-0.2 -2,-0.2 0.963 113.2 46.4 -64.6 -49.0 0.2 -8.5 43.6 64 63 A R H 3<5S+ 0 0 180 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.861 110.1 53.0 -58.8 -40.9 -1.3 -11.5 45.4 65 64 A E H 3<5S- 0 0 76 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.560 111.8-123.5 -70.8 -12.2 1.3 -11.4 48.2 66 65 A Q T <<5S+ 0 0 176 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.805 73.5 129.4 67.9 33.5 0.4 -7.7 48.7 67 66 A V S > - 0 0 120 -2,-0.3 3,-1.8 -3,-0.1 4,-0.6 -0.851 32.2-110.1-111.5 158.7 -0.2 -2.7 43.9 70 69 A R G >4 S+ 0 0 23 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.808 115.3 60.9 -53.2 -37.6 -0.7 -2.5 40.2 71 70 A E G 34 S+ 0 0 109 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.723 101.3 53.6 -66.5 -22.1 -0.6 1.4 40.3 72 71 A E G <4 S+ 0 0 107 -3,-1.8 -1,-0.3 2,-0.0 2,-0.2 0.573 95.0 86.7 -85.1 -13.4 2.9 1.3 41.7 73 72 A L << - 0 0 2 -3,-1.4 2,-0.5 -4,-0.6 -31,-0.2 -0.625 61.4-157.8 -89.6 149.0 4.2 -0.8 38.9 74 73 A F E -e 42 0B 7 -33,-3.8 -31,-1.6 -2,-0.2 2,-0.6 -0.891 16.9-173.2-123.4 97.6 5.5 0.6 35.5 75 74 A I E -e 43 0B 0 -2,-0.5 31,-1.7 -33,-0.2 32,-1.6 -0.820 1.2-170.5-104.3 125.4 5.3 -2.2 32.9 76 75 A V E +ef 44 107B 0 -33,-2.4 -31,-2.6 -2,-0.6 2,-0.3 -0.923 9.8 166.6-113.1 134.9 6.7 -1.6 29.5 77 76 A S E - f 0 108B 0 30,-2.0 32,-2.2 -2,-0.4 2,-0.4 -0.828 21.8-132.0-137.1 178.4 6.3 -3.8 26.4 78 77 A K E - f 0 109B 0 -2,-0.3 -31,-1.0 30,-0.2 2,-0.5 -0.996 16.0-120.0-141.4 136.7 7.0 -3.3 22.7 79 78 A L E - f 0 110B 0 30,-2.6 32,-2.1 -2,-0.4 33,-0.4 -0.702 40.6-127.6 -72.8 115.9 5.2 -4.0 19.4 80 79 A W > - 0 0 14 -2,-0.5 3,-2.0 30,-0.1 36,-0.1 -0.268 19.5-108.3 -71.6 158.5 7.4 -6.4 17.4 81 80 A C G > S+ 0 0 0 1,-0.3 35,-2.2 2,-0.1 3,-0.9 0.753 113.8 61.8 -57.9 -29.2 8.4 -5.6 13.8 82 81 A T G 3 S+ 0 0 0 1,-0.3 -1,-0.3 33,-0.2 37,-0.3 0.437 99.7 57.8 -83.8 6.3 6.1 -8.2 12.2 83 82 A Y G < + 0 0 36 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.1 -0.017 64.0 114.2-124.9 33.4 3.1 -6.5 13.6 84 83 A H < + 0 0 3 -3,-0.9 53,-0.2 32,-0.3 60,-0.1 0.727 46.6 105.4 -76.7 -19.3 3.3 -3.0 12.1 85 84 A E S >> S- 0 0 40 -3,-0.2 3,-2.3 1,-0.2 4,-0.8 -0.380 79.7-125.5 -58.8 137.4 0.2 -3.3 9.9 86 85 A K H >> S+ 0 0 95 1,-0.3 3,-0.6 2,-0.2 4,-0.6 0.861 108.9 56.6 -53.5 -37.1 -2.6 -1.3 11.5 87 86 A G H 34 S+ 0 0 76 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.591 109.5 46.5 -74.1 -6.2 -4.9 -4.4 11.5 88 87 A L H <> S+ 0 0 66 -3,-2.3 4,-1.7 -5,-0.1 -1,-0.2 0.552 90.3 81.5-109.2 -10.3 -2.4 -6.4 13.6 89 88 A V H S+ 0 0 43 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.888 109.6 52.9 -61.9 -38.6 -3.9 -8.1 18.7 92 91 A A H X S+ 0 0 10 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.937 113.1 44.5 -58.7 -48.1 -0.2 -7.9 19.3 93 92 A C H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.940 113.4 49.4 -64.3 -45.7 -0.8 -5.6 22.3 94 93 A Q H X S+ 0 0 90 -4,-3.0 4,-3.1 -5,-0.2 5,-0.2 0.853 106.8 56.2 -65.6 -29.1 -3.6 -7.8 23.6 95 94 A K H X S+ 0 0 101 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.944 111.0 45.2 -62.7 -48.1 -1.3 -10.9 23.2 96 95 A T H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.920 114.1 48.1 -58.1 -45.7 1.2 -9.2 25.4 97 96 A L H X>S+ 0 0 9 -4,-2.8 5,-2.1 1,-0.2 4,-0.7 0.927 113.2 47.3 -62.1 -43.5 -1.4 -8.1 27.9 98 97 A S H <5S+ 0 0 59 -4,-3.1 3,-0.3 1,-0.2 -1,-0.2 0.889 113.0 48.5 -66.5 -38.3 -2.9 -11.5 28.0 99 98 A D H <5S+ 0 0 19 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.923 115.5 43.8 -66.5 -39.8 0.5 -13.2 28.5 100 99 A L H <5S- 0 0 0 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.553 106.6-129.8 -75.1 -12.8 1.4 -10.7 31.3 101 100 A K T <5 + 0 0 123 -4,-0.7 2,-0.3 -3,-0.3 -3,-0.2 0.860 63.9 131.8 56.7 40.6 -2.0 -11.1 32.8 102 101 A L < - 0 0 16 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.820 57.4-146.1-115.3 157.6 -2.4 -7.3 32.9 103 102 A D S S+ 0 0 125 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.493 84.5 12.9-105.5 -4.9 -5.3 -5.1 31.8 104 103 A Y - 0 0 41 -7,-0.1 2,-0.3 3,-0.0 50,-0.3 -0.963 66.9-133.1-153.2 158.3 -3.1 -2.2 30.7 105 104 A L B -k 154 0C 0 48,-1.8 50,-2.6 -2,-0.3 51,-0.3 -0.847 13.6-141.0-102.0 147.4 0.5 -1.4 30.0 106 105 A D S S+ 0 0 6 -31,-1.7 2,-0.3 -2,-0.3 -30,-0.2 0.839 89.7 9.0 -71.9 -30.8 2.1 1.7 31.4 107 106 A L E -f 76 0B 1 -32,-1.6 -30,-2.0 48,-0.2 2,-0.4 -0.981 62.1-168.1-154.5 130.9 4.1 2.2 28.2 108 107 A Y E -fg 77 157B 1 48,-1.9 50,-2.2 -2,-0.3 2,-0.3 -0.995 16.5-163.4-125.2 126.8 4.0 0.5 24.8 109 108 A L E -fg 78 158B 0 -32,-2.2 -30,-2.6 -2,-0.4 2,-0.7 -0.845 30.7-119.2-112.1 147.6 6.8 1.1 22.3 110 109 A I E -fg 79 159B 2 48,-2.1 50,-1.1 -2,-0.3 -30,-0.1 -0.775 36.2-149.6 -74.6 116.1 7.3 0.7 18.6 111 110 A H S S- 0 0 10 -32,-2.1 -1,-0.2 -2,-0.7 -31,-0.1 0.856 71.6 -1.0 -63.2 -40.5 10.2 -1.7 19.1 112 111 A W - 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0 0 9 -2,-0.4 4,-2.4 153,-0.1 3,-0.4 -0.367 34.9 -96.6 -84.2 174.0 16.7 8.4 14.9 164 163 A H H > S+ 0 0 34 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.826 122.8 54.1 -70.4 -25.3 15.8 12.1 15.2 165 164 A L H > S+ 0 0 58 151,-0.5 4,-1.9 2,-0.2 -1,-0.3 0.861 109.3 49.1 -73.0 -33.8 14.4 12.4 11.7 166 165 A Q H > S+ 0 0 16 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.889 110.9 49.9 -69.7 -39.3 12.0 9.5 12.4 167 166 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.941 109.8 51.7 -58.0 -46.0 11.0 11.1 15.6 168 167 A E H X S+ 0 0 78 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.875 101.0 61.4 -60.5 -36.6 10.4 14.4 13.8 169 168 A M H < S+ 0 0 93 -4,-1.9 -1,-0.2 1,-0.2 4,-0.2 0.921 109.7 42.3 -55.3 -44.1 8.2 12.5 11.2 170 169 A I H >< S+ 0 0 0 -4,-1.5 3,-1.8 1,-0.2 -2,-0.2 0.940 111.2 53.3 -68.9 -44.7 5.9 11.6 14.1 171 170 A L H 3< S+ 0 0 36 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.804 114.0 45.2 -57.5 -27.7 6.0 15.1 15.7 172 171 A N T 3< S+ 0 0 112 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.292 84.5 134.6 -93.9 1.8 5.0 16.5 12.3 173 172 A K X - 0 0 36 -3,-1.8 3,-2.1 -4,-0.2 2,-0.5 -0.286 66.1-105.7 -64.7 132.3 2.2 14.1 11.6 174 173 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.440 104.0 1.2 -60.1 112.1 -1.0 15.4 10.3 175 174 A G T 3 S- 0 0 72 -2,-0.5 -2,-0.1 1,-0.2 -3,-0.0 0.680 85.3-173.8 80.1 28.7 -3.5 15.2 13.2 176 175 A L < - 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0 0 11 -3,-0.3 5,-0.1 -5,-0.2 -2,-0.1 0.700 27.3-152.2 -84.1 -13.1 26.8 8.2 24.6 193 192 A Q > + 0 0 21 1,-0.1 4,-2.4 3,-0.1 5,-0.3 0.819 29.8 162.8 57.6 38.6 24.2 9.5 22.1 194 193 A E H > S+ 0 0 117 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.890 70.9 46.8 -58.5 -40.3 24.6 13.2 23.0 195 194 A K H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.917 115.3 42.6 -74.6 -40.3 22.9 14.5 19.8 196 195 A L H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.880 115.4 51.2 -70.9 -34.8 19.9 12.2 19.9 197 196 A I H X S+ 0 0 8 -4,-2.4 4,-3.3 1,-0.2 5,-0.3 0.961 110.5 48.7 -64.1 -48.8 19.5 12.7 23.6 198 197 A Q H X S+ 0 0 101 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.897 111.1 51.0 -56.4 -44.6 19.6 16.5 23.2 199 198 A Y H X S+ 0 0 21 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.952 114.1 43.1 -58.4 -51.3 17.0 16.3 20.4 200 199 A C H ><>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 3,-1.1 0.934 115.0 47.7 -65.5 -44.5 14.6 14.2 22.5 201 200 A Q H ><5S+ 0 0 76 -4,-3.3 3,-1.2 1,-0.3 -1,-0.2 0.859 107.0 57.8 -63.7 -30.7 15.0 16.2 25.7 202 201 A S H 3<5S+ 0 0 68 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.717 110.8 44.8 -70.0 -18.2 14.6 19.4 23.7 203 202 A K T <<5S- 0 0 96 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.323 119.8-105.7-104.7 2.5 11.2 18.0 22.6 204 203 A G T < 5S+ 0 0 43 -3,-1.2 2,-0.5 -4,-0.3 -196,-0.4 0.711 75.4 137.0 82.8 13.2 10.0 16.7 26.0 205 204 A I < - 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