==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-SEP-03 1QWK . COMPND 2 MOLECULE: ALDO-KETO REDUCTASE FAMILY 1 MEMBER C1; . SOURCE 2 ORGANISM_SCIENTIFIC: CAENORHABDITIS ELEGANS; . AUTHOR L.CHEN,X.E.ZHOU,E.J.MEEHAN,J.SYMERSKY,S.LU,S.LI,M.LUO, . 312 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14475.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 65.4 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 . 14 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 34 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.6 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 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 . 2 1 4 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 . 2 2 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 . 3 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 5 A T 0 0 123 0, 0.0 2,-0.3 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 118.3 15.6 12.4 55.1 2 6 A A + 0 0 53 11,-0.1 12,-2.3 9,-0.0 13,-0.4 -0.487 360.0 166.5 -64.7 123.0 15.6 16.2 55.5 3 7 A S E -A 13 0A 37 -2,-0.3 2,-0.4 10,-0.3 8,-0.1 -0.916 40.1-126.3-141.8 165.7 11.9 17.1 55.9 4 8 A I E -A 12 0A 60 8,-3.0 8,-3.1 -2,-0.3 2,-0.6 -0.923 31.2-127.4-109.9 134.2 9.4 19.8 56.9 5 9 A K E -A 11 0A 144 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.747 22.6-143.4 -87.2 118.7 6.8 18.9 59.6 6 10 A L > - 0 0 5 4,-3.4 3,-2.4 -2,-0.6 186,-0.1 -0.327 30.8 -99.0 -74.1 162.9 3.3 19.6 58.5 7 11 A S T 3 S+ 0 0 67 184,-0.4 -1,-0.1 1,-0.3 185,-0.1 0.702 124.1 51.9 -58.3 -20.6 0.7 20.9 61.0 8 12 A N T 3 S- 0 0 51 2,-0.1 -1,-0.3 136,-0.1 3,-0.1 0.274 124.5 -99.8 -99.4 10.9 -0.8 17.4 61.4 9 13 A G S < S+ 0 0 29 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.246 76.4 140.0 94.1 -13.9 2.6 15.8 62.1 10 14 A V - 0 0 33 134,-0.2 -4,-3.4 -5,-0.1 2,-0.5 -0.448 48.6-134.1 -67.0 132.6 3.3 14.4 58.7 11 15 A E E -A 5 0A 106 -6,-0.2 -6,-0.2 -2,-0.2 -1,-0.1 -0.798 19.6-166.0 -92.0 123.4 6.9 14.8 57.6 12 16 A M E -A 4 0A 1 -8,-3.1 -8,-3.0 -2,-0.5 29,-0.1 -0.937 25.4-116.2-113.7 120.2 7.4 16.0 54.0 13 17 A P E -A 3 0A 10 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.228 19.0-134.8 -52.3 137.3 10.8 15.8 52.3 14 18 A V S S+ 0 0 16 -12,-2.3 242,-3.0 241,-0.1 2,-0.4 0.667 88.9 43.1 -70.0 -20.2 12.2 19.2 51.6 15 19 A I B +b 256 0B 6 -13,-0.4 25,-0.7 240,-0.2 26,-0.3 -0.992 69.2 165.4-130.4 136.4 13.3 18.3 48.0 16 20 A G - 0 0 0 240,-1.9 2,-0.6 -2,-0.4 26,-0.2 -0.919 41.0 -95.8-142.5 169.6 11.4 16.2 45.5 17 21 A L E -c 42 0B 1 24,-2.6 26,-2.8 -2,-0.3 2,-0.6 -0.795 32.7-148.5 -90.6 120.8 11.3 15.3 41.9 18 22 A G E -c 43 0B 2 240,-2.2 3,-0.3 -2,-0.6 26,-0.1 -0.807 14.0-175.1 -88.7 125.3 8.9 17.5 39.9 19 23 A T > + 0 0 0 24,-1.7 3,-2.0 -2,-0.6 -1,-0.1 0.339 50.9 107.9-104.9 8.5 7.4 15.5 37.1 20 24 A W T 3 S+ 0 0 67 1,-0.3 -1,-0.2 23,-0.1 24,-0.1 0.679 86.4 46.5 -60.2 -15.6 5.4 18.1 35.2 21 25 A Q T 3 S+ 0 0 100 -3,-0.3 2,-0.4 238,-0.2 -1,-0.3 -0.054 96.0 96.5-114.7 30.1 8.0 18.0 32.4 22 26 A S < - 0 0 11 -3,-2.0 -3,-0.0 238,-0.0 238,-0.0 -0.978 60.2-145.5-128.3 130.0 8.3 14.2 32.1 23 27 A S > - 0 0 49 -2,-0.4 4,-3.2 1,-0.1 5,-0.3 -0.386 41.1 -96.5 -80.7 165.4 6.6 11.9 29.7 24 28 A P H > S+ 0 0 66 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.864 126.2 44.7 -50.9 -40.0 5.6 8.3 30.8 25 29 A A H > S+ 0 0 76 2,-0.2 4,-1.0 1,-0.2 3,-0.1 0.914 116.5 44.1 -72.7 -43.7 8.8 6.9 29.4 26 30 A E H > S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.856 108.0 59.6 -69.4 -35.9 11.1 9.6 30.7 27 31 A V H X S+ 0 0 0 -4,-3.2 4,-3.2 1,-0.2 5,-0.2 0.839 97.6 58.0 -65.4 -34.1 9.5 9.7 34.1 28 32 A I H X S+ 0 0 43 -4,-1.1 4,-2.2 -5,-0.3 5,-0.2 0.965 112.3 40.1 -60.7 -50.9 10.3 6.0 34.9 29 33 A T H X S+ 0 0 92 -4,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.879 116.8 51.9 -63.8 -38.4 14.0 6.5 34.4 30 34 A A H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.919 109.7 47.8 -65.0 -45.6 13.8 9.9 36.2 31 35 A V H X S+ 0 0 0 -4,-3.2 4,-2.8 2,-0.2 5,-0.2 0.945 113.7 46.2 -62.6 -48.7 12.0 8.5 39.3 32 36 A K H X S+ 0 0 32 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.887 113.6 49.3 -62.6 -38.8 14.4 5.6 39.7 33 37 A T H X S+ 0 0 19 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.2 0.924 112.8 47.8 -65.5 -43.8 17.4 7.8 39.3 34 38 A A H X>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 4,-1.2 0.931 112.8 46.7 -63.4 -48.4 16.1 10.3 41.8 35 39 A V H <5S+ 0 0 1 -4,-2.8 3,-0.5 1,-0.2 -1,-0.2 0.909 112.1 50.0 -63.2 -41.4 15.2 7.7 44.4 36 40 A K H <5S+ 0 0 125 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.788 110.0 53.5 -67.7 -24.0 18.6 6.0 44.0 37 41 A A H <5S- 0 0 37 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.710 131.6 -89.4 -81.4 -22.2 20.2 9.4 44.4 38 42 A G T <5S+ 0 0 23 -4,-1.2 -3,-0.2 -3,-0.5 -2,-0.1 0.276 77.7 140.4 132.8 -12.0 18.4 10.2 47.7 39 43 A Y < + 0 0 1 -5,-2.5 -1,-0.3 -6,-0.2 -23,-0.1 -0.396 21.8 178.6 -62.7 137.6 15.2 11.9 46.6 40 44 A R + 0 0 49 -25,-0.7 33,-2.7 1,-0.1 2,-0.4 0.250 57.6 69.4-125.7 9.9 12.3 10.7 48.8 41 45 A L E - d 0 73B 6 -26,-0.3 -24,-2.6 31,-0.2 2,-0.4 -0.998 54.8-169.8-132.6 134.0 9.4 12.8 47.4 42 46 A I E -cd 17 74B 1 31,-2.3 33,-2.6 -2,-0.4 2,-0.5 -0.992 9.4-158.1-122.7 125.2 7.8 12.5 43.9 43 47 A D E +cd 18 75B 3 -26,-2.8 -24,-1.7 -2,-0.4 2,-0.2 -0.916 25.2 149.5-109.5 123.6 5.4 15.2 42.8 44 48 A T - 0 0 0 31,-2.7 2,-0.3 -2,-0.5 -24,-0.1 -0.685 26.8-148.0-136.0-171.4 2.8 14.4 40.1 45 49 A A >>> - 0 0 0 31,-0.3 3,-1.3 -2,-0.2 5,-0.6 -0.959 28.6-119.0-163.0 145.9 -0.7 15.3 38.9 46 50 A S G >45S+ 0 0 8 31,-2.1 3,-1.3 -2,-0.3 5,-0.2 0.882 113.4 59.1 -57.1 -36.6 -3.6 13.6 37.2 47 51 A V G 345S+ 0 0 46 30,-0.3 -1,-0.3 1,-0.3 31,-0.1 0.709 91.5 67.4 -67.8 -20.0 -3.3 16.1 34.3 48 52 A Y G <45S- 0 0 51 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.714 92.9-143.2 -71.9 -19.8 0.3 15.1 33.6 49 53 A Q T <<5S+ 0 0 127 -3,-1.3 4,-0.1 -4,-0.5 -3,-0.1 0.809 74.1 103.0 61.1 30.6 -0.9 11.7 32.4 50 54 A N >< + 0 0 0 -5,-0.6 4,-2.1 2,-0.1 5,-0.2 0.279 39.9 100.4-123.9 9.9 2.2 10.1 33.9 51 55 A E H > S+ 0 0 2 -6,-0.2 4,-2.3 1,-0.2 5,-0.2 0.877 81.5 54.5 -63.7 -38.1 0.8 8.6 37.2 52 56 A E H > S+ 0 0 137 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.921 109.7 47.0 -62.3 -43.0 0.6 5.1 35.6 53 57 A A H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.900 111.1 51.4 -65.2 -41.3 4.3 5.3 34.7 54 58 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.882 106.7 54.9 -63.8 -36.6 5.2 6.5 38.1 55 59 A G H X S+ 0 0 1 -4,-2.3 4,-2.2 43,-0.2 -1,-0.2 0.898 108.9 47.8 -62.7 -39.5 3.3 3.7 39.7 56 60 A T H X S+ 0 0 51 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.912 110.7 51.6 -67.0 -42.2 5.4 1.3 37.6 57 61 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.927 111.2 46.8 -60.3 -46.6 8.6 3.0 38.6 58 62 A I H X S+ 0 0 5 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.905 109.8 54.4 -62.7 -41.3 7.6 2.8 42.3 59 63 A K H X S+ 0 0 90 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.935 109.8 46.7 -58.1 -47.8 6.7 -0.9 41.9 60 64 A E H X S+ 0 0 62 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.892 110.2 53.3 -62.0 -41.4 10.1 -1.7 40.4 61 65 A L H X>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 6,-0.7 0.900 110.3 47.5 -61.0 -41.6 11.9 0.3 43.2 62 66 A L H ><5S+ 0 0 69 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.910 112.1 48.6 -66.7 -43.2 10.1 -1.8 45.8 63 67 A E H 3<5S+ 0 0 139 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.835 109.6 53.0 -66.2 -32.8 10.8 -5.1 44.1 64 68 A E H 3<5S- 0 0 93 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.606 111.7-123.8 -77.3 -12.1 14.5 -4.1 43.8 65 69 A G T <<5S+ 0 0 60 -3,-0.8 -3,-0.2 -4,-0.5 -2,-0.1 0.674 71.6 131.6 77.4 17.5 14.5 -3.4 47.5 66 70 A V S > - 0 0 151 -2,-0.3 3,-1.7 -3,-0.1 4,-0.5 -0.797 35.0-109.1-110.7 156.8 9.9 0.8 51.1 69 73 A R G >4 S+ 0 0 42 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.896 118.2 58.2 -49.9 -47.4 6.5 2.5 50.6 70 74 A E G 34 S+ 0 0 156 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.710 100.8 57.9 -58.5 -22.4 6.7 4.2 54.0 71 75 A E G <4 S+ 0 0 100 -3,-1.7 2,-0.4 2,-0.0 -1,-0.3 0.578 96.5 76.8 -85.4 -11.4 10.0 5.8 53.0 72 76 A L << - 0 0 4 -3,-2.0 2,-0.6 -4,-0.5 -31,-0.2 -0.822 65.4-152.2-105.7 141.7 8.5 7.6 50.0 73 77 A F E -d 41 0B 7 -33,-2.7 -31,-2.3 -2,-0.4 2,-0.5 -0.954 16.2-166.8-111.8 114.6 6.4 10.7 50.0 74 78 A I E -d 42 0B 1 -2,-0.6 32,-1.7 -33,-0.2 31,-1.5 -0.913 4.5-173.1-109.3 125.3 4.0 10.8 47.0 75 79 A T E +de 43 106B 3 -33,-2.6 -31,-2.7 -2,-0.5 2,-0.3 -0.940 8.8 168.4-115.4 133.5 2.1 14.0 46.1 76 80 A T E - e 0 107B 0 30,-2.1 32,-2.2 -2,-0.4 2,-0.4 -0.917 18.9-139.1-137.6 168.7 -0.6 14.2 43.4 77 81 A K E - e 0 108B 0 -2,-0.3 -31,-2.1 30,-0.2 2,-0.4 -0.981 12.4-124.9-136.1 144.0 -3.1 16.8 42.4 78 82 A A E - e 0 109B 0 30,-2.8 32,-2.3 -2,-0.4 33,-0.4 -0.672 31.4-134.6 -84.5 134.1 -6.7 16.9 41.3 79 83 A W >> - 0 0 38 -2,-0.4 3,-1.2 30,-0.1 4,-0.7 -0.267 33.7 -86.4 -82.1 173.9 -7.3 18.7 37.9 80 84 A T T 34 S+ 0 0 0 1,-0.3 35,-1.2 2,-0.2 3,-0.5 0.778 125.8 49.4 -52.1 -37.0 -10.1 21.3 37.2 81 85 A H T 34 S+ 0 0 65 1,-0.2 3,-0.4 33,-0.2 -1,-0.3 0.722 107.1 56.6 -78.1 -19.7 -12.8 18.8 36.3 82 86 A E T <4 S+ 0 0 19 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.608 95.3 66.7 -85.3 -11.4 -12.2 16.8 39.4 83 87 A L S < S+ 0 0 0 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.650 78.6 108.8 -81.5 -17.0 -12.7 19.8 41.6 84 88 A A S >> S- 0 0 8 -3,-0.4 3,-2.5 -4,-0.3 4,-0.5 -0.168 90.0 -67.2 -59.5 153.8 -16.4 19.9 40.7 85 89 A P T 34 S- 0 0 82 0, 0.0 -1,-0.2 0, 0.0 45,-0.1 -0.130 119.1 -2.4 -46.5 125.7 -19.1 18.9 43.3 86 90 A G T 34 S+ 0 0 69 -3,-0.2 4,-0.3 1,-0.1 -2,-0.1 0.547 109.2 98.5 68.1 10.9 -18.9 15.3 44.1 87 91 A K T <> + 0 0 127 -3,-2.5 4,-1.8 -5,-0.1 5,-0.1 0.601 57.9 79.0-103.6 -13.0 -16.0 14.6 41.7 88 92 A L H X S+ 0 0 1 -4,-0.5 4,-2.7 2,-0.2 5,-0.2 0.930 90.2 49.6 -63.6 -50.5 -13.0 14.7 43.9 89 93 A E H > S+ 0 0 93 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.922 111.5 50.3 -56.9 -45.4 -13.1 11.2 45.5 90 94 A G H > S+ 0 0 49 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.906 111.2 49.4 -59.0 -41.8 -13.6 9.5 42.2 91 95 A G H X S+ 0 0 7 -4,-1.8 4,-2.1 -9,-0.2 -2,-0.2 0.917 111.7 47.8 -64.5 -43.6 -10.6 11.4 40.8 92 96 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.917 110.0 51.7 -65.1 -42.6 -8.4 10.5 43.8 93 97 A R H X S+ 0 0 131 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.864 109.6 51.0 -63.5 -32.8 -9.3 6.8 43.6 94 98 A E H X S+ 0 0 82 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.919 110.0 48.8 -69.6 -41.9 -8.5 6.8 39.9 95 99 A S H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.898 110.5 51.9 -63.0 -39.6 -5.1 8.4 40.6 96 100 A L H X>S+ 0 0 12 -4,-2.6 5,-2.1 2,-0.2 4,-1.0 0.875 107.5 52.5 -64.5 -37.3 -4.5 5.8 43.4 97 101 A K H <5S+ 0 0 149 -4,-1.9 3,-0.4 2,-0.2 -2,-0.2 0.939 112.4 44.2 -64.0 -46.3 -5.3 3.0 40.9 98 102 A K H <5S+ 0 0 55 -4,-2.1 -43,-0.2 1,-0.2 -2,-0.2 0.889 115.9 47.0 -65.2 -39.7 -2.8 4.3 38.4 99 103 A L H <5S- 0 0 1 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.627 104.8-132.7 -76.6 -13.1 -0.2 4.8 41.1 100 104 A Q T <5 + 0 0 98 -4,-1.0 2,-0.3 -3,-0.4 -3,-0.2 0.886 62.1 132.0 60.3 40.9 -0.9 1.4 42.5 101 105 A L < - 0 0 17 -5,-2.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.853 62.5-142.3-121.9 157.9 -1.1 2.9 46.0 102 106 A E S S- 0 0 164 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.655 88.7 -5.6 -89.8 -17.8 -3.5 2.6 48.8 103 107 A Y - 0 0 37 -7,-0.1 2,-0.3 -3,-0.0 -1,-0.3 -0.975 66.0-124.4-165.8 161.7 -3.1 6.2 49.7 104 108 A V B -j 143 0C 0 38,-2.1 40,-2.4 -2,-0.3 41,-0.3 -0.854 17.7-134.1-113.6 154.2 -1.1 9.3 48.8 105 109 A D S S+ 0 0 13 -31,-1.5 2,-0.4 -2,-0.3 -30,-0.2 0.857 91.6 15.6 -75.7 -33.6 0.9 11.4 51.3 106 110 A L E -e 75 0B 1 -32,-1.7 -30,-2.1 38,-0.2 2,-0.5 -0.993 63.1-169.1-144.9 132.1 -0.3 14.7 50.0 107 111 A Y E -ef 76 146B 0 38,-1.9 40,-2.0 -2,-0.4 2,-0.3 -0.986 15.0-171.7-124.6 122.9 -3.3 15.5 47.7 108 112 A L E -ef 77 147B 0 -32,-2.2 -30,-2.8 -2,-0.5 2,-0.7 -0.829 32.8-120.4-117.7 151.8 -3.7 19.1 46.3 109 113 A A E -ef 78 148B 0 38,-1.7 40,-1.6 -2,-0.3 -30,-0.1 -0.809 28.9-149.7 -82.6 118.1 -6.3 21.0 44.4 110 114 A H S S+ 0 0 16 -32,-2.3 -1,-0.2 -2,-0.7 -31,-0.1 0.795 76.8 2.0 -62.1 -28.8 -4.1 21.8 41.3 111 115 A M - 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0 0 8 -3,-1.4 4,-2.7 -4,-0.3 5,-0.2 -0.354 60.4-131.2 -58.8 134.8 21.8 37.0 38.0 228 232 A Q H > S+ 0 0 129 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.881 107.2 47.7 -57.0 -42.4 25.1 38.7 38.9 229 233 A N H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.859 111.3 51.3 -68.9 -35.4 24.6 38.1 42.6 230 234 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.947 111.5 46.5 -64.8 -48.4 23.7 34.4 42.0 231 235 A L H X S+ 0 0 66 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.869 112.6 51.4 -61.1 -37.9 26.8 33.9 39.9 232 236 A A H X S+ 0 0 46 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.908 111.9 45.2 -66.6 -43.8 29.0 35.7 42.5 233 237 A L H X S+ 0 0 18 -4,-2.3 4,-2.1 2,-0.2 6,-0.3 0.844 110.3 55.3 -70.2 -32.5 27.7 33.5 45.3 234 238 A A H X>S+ 0 0 6 -4,-2.3 5,-1.9 2,-0.2 4,-1.0 0.927 109.7 46.3 -65.4 -43.4 28.1 30.4 43.2 235 239 A E H <5S+ 0 0 162 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.920 112.9 49.7 -64.4 -43.9 31.7 31.1 42.6 236 240 A K H <5S+ 0 0 162 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.857 118.1 38.2 -63.9 -37.5 32.3 32.0 46.3 237 241 A T H <5S- 0 0 41 -4,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.497 105.1-125.1 -92.2 -6.2 30.7 28.7 47.6 238 242 A H T <5S+ 0 0 169 -4,-1.0 2,-0.2 -3,-0.4 -3,-0.2 0.842 72.1 124.0 63.1 33.0 32.1 26.6 44.7 239 243 A K < - 0 0 28 -5,-1.9 -1,-0.3 -6,-0.3 -2,-0.1 -0.729 66.7 -99.8-115.4 167.0 28.5 25.6 44.0 240 244 A T > - 0 0 45 -2,-0.2 4,-2.0 28,-0.1 5,-0.2 -0.523 30.6-112.0 -87.3 158.5 26.6 25.9 40.7 241 245 A P H > S+ 0 0 41 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.884 119.2 53.0 -54.2 -40.7 24.1 28.7 40.0 242 246 A A H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.921 107.0 50.5 -62.5 -44.6 21.3 26.2 40.0 243 247 A Q H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.871 109.6 52.3 -62.8 -33.9 22.3 24.8 43.4 244 248 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.915 108.6 49.5 -67.9 -42.3 22.4 28.4 44.8 245 249 A L H X S+ 0 0 1 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.880 112.8 47.6 -64.0 -37.6 18.8 29.0 43.5 246 250 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.924 112.0 48.7 -69.3 -43.0 17.6 25.8 45.1 247 251 A R H X S+ 0 0 37 -4,-2.4 4,-2.9 1,-0.2 30,-0.3 0.853 105.9 60.0 -64.9 -33.5 19.3 26.6 48.4 248 252 A Y H X S+ 0 0 1 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.959 108.2 42.9 -57.5 -52.1 17.8 30.1 48.2 249 253 A A H ><>S+ 0 0 0 -4,-1.7 5,-1.8 1,-0.2 3,-0.6 0.893 113.1 53.0 -62.4 -40.7 14.3 28.7 48.2 250 254 A L H ><5S+ 0 0 20 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.932 110.0 46.7 -61.6 -45.5 15.1 26.1 50.9 251 255 A D H 3<5S+ 0 0 46 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.586 100.4 66.5 -75.9 -6.5 16.5 28.8 53.3 252 256 A R T <<5S- 0 0 26 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.541 127.1-102.2 -83.4 -10.1 13.4 31.0 52.6 253 257 A G T < 5S+ 0 0 39 -3,-1.5 -59,-0.5 -4,-0.3 2,-0.3 0.722 80.9 124.7 96.2 27.2 11.7 28.1 54.4 254 258 A C < - 0 0 3 -5,-1.8 -1,-0.3 -4,-0.1 2,-0.3 -0.756 59.2-123.1-117.5 162.1 10.2 26.3 51.5 255 259 A A E - i 0 195B 4 -61,-2.7 -59,-2.8 -2,-0.3 2,-0.3 -0.657 36.0-139.8 -92.8 158.5 10.2 22.8 50.0 256 260 A I E -bi 15 196B 1 -242,-3.0 -240,-1.9 -2,-0.3 -59,-0.2 -0.922 20.7-165.8-128.3 153.2 11.4 22.5 46.4 257 261 A L E - i 0 197B 6 -61,-1.3 -59,-0.5 -2,-0.3 -58,-0.2 -0.584 13.6-165.6-133.5 69.6 10.5 20.6 43.2 258 262 A P - 0 0 2 0, 0.0 -240,-2.2 0, 0.0 -2,-0.0 -0.344 11.0-150.2 -58.2 136.1 13.3 20.9 40.6 259 263 A K + 0 0 82 -242,-0.2 -238,-0.2 -240,-0.1 7,-0.1 0.537 46.7 135.4 -86.2 -11.3 11.9 19.7 37.2 260 264 A S - 0 0 13 1,-0.1 -242,-0.1 5,-0.1 -239,-0.1 -0.028 28.0-179.9 -40.8 137.7 15.2 18.4 35.7 261 265 A I + 0 0 52 -240,-0.1 2,-0.3 -244,-0.1 -1,-0.1 0.494 49.3 101.6-118.7 -14.3 14.7 15.0 34.0 262 266 A Q S > S- 0 0 106 1,-0.1 4,-2.8 2,-0.0 3,-0.4 -0.567 76.8-126.3 -76.0 135.9 18.3 14.5 32.9 263 267 A E H > S+ 0 0 107 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.871 108.3 47.0 -47.6 -49.1 20.3 12.1 35.1 264 268 A N H > S+ 0 0 126 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.857 114.1 47.0 -66.2 -35.7 23.2 14.5 35.7 265 269 A R H > S+ 0 0 125 -3,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.879 108.6 54.5 -74.0 -36.9 20.9 17.4 36.5 266 270 A I H X S+ 0 0 1 -4,-2.8 4,-0.7 1,-0.2 -2,-0.2 0.910 113.5 43.4 -61.2 -40.6 18.8 15.3 38.8 267 271 A K H >X S+ 0 0 98 -4,-1.9 4,-0.6 -5,-0.3 3,-0.6 0.899 113.1 52.2 -71.2 -39.8 22.0 14.4 40.7 268 272 A E H >< S+ 0 0 66 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.919 105.1 54.4 -61.8 -46.4 23.2 18.0 40.6 269 273 A N H 3< S+ 0 0 3 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.708 103.0 58.1 -63.1 -20.9 20.0 19.4 42.1 270 274 A F H << S+ 0 0 41 -4,-0.7 2,-1.9 -3,-0.6 3,-0.3 0.685 83.9 84.8 -82.8 -18.5 20.3 17.1 45.1 271 275 A E << + 0 0 104 -3,-1.2 -1,-0.2 -4,-0.6 3,-0.1 -0.392 57.4 103.5 -83.6 63.4 23.7 18.4 46.1 272 276 A V + 0 0 0 -2,-1.9 3,-0.3 -3,-0.1 -1,-0.2 0.122 54.1 82.2-128.7 19.9 22.4 21.3 48.1 273 277 A F S S+ 0 0 86 -3,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.263 70.8 77.0-110.1 12.5 22.9 20.1 51.6 274 278 A D S S+ 0 0 106 -3,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.233 103.3 22.3-104.6 12.1 26.6 20.9 52.1 275 279 A F - 0 0 35 -3,-0.3 2,-0.3 2,-0.0 -38,-0.0 -0.958 64.1-150.9-162.7 172.1 26.0 24.6 52.7 276 280 A S - 0 0 76 -2,-0.3 2,-0.4 -3,-0.0 -28,-0.1 -0.983 17.8-119.1-152.1 158.1 23.4 27.2 53.7 277 281 A L - 0 0 12 -2,-0.3 2,-0.1 -30,-0.3 -2,-0.0 -0.863 22.2-143.5-106.4 133.5 22.5 30.8 53.1 278 282 A T > - 0 0 71 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.344 34.1-100.3 -84.0 170.7 22.4 33.5 55.8 279 283 A E H > S+ 0 0 177 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.872 126.3 53.4 -58.9 -37.2 19.9 36.3 55.9 280 284 A E H > S+ 0 0 154 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.919 108.1 49.1 -64.0 -44.5 22.6 38.6 54.5 281 285 A D H > S+ 0 0 37 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.910 111.9 49.1 -60.5 -44.9 23.2 36.2 51.6 282 286 A I H X S+ 0 0 24 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.928 110.7 49.9 -61.2 -46.3 19.4 36.1 50.9 283 287 A A H < S+ 0 0 57 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.901 109.4 52.2 -60.1 -42.1 19.1 39.9 51.0 284 288 A K H >< S+ 0 0 108 -4,-2.4 3,-1.3 1,-0.2 4,-0.3 0.919 108.1 50.6 -61.6 -44.2 22.1 40.2 48.6 285 289 A L H 3< S+ 0 0 2 -4,-2.2 3,-0.5 1,-0.3 -1,-0.2 0.814 110.1 51.2 -64.7 -28.5 20.5 37.8 46.1 286 290 A E T >< S+ 0 0 39 -4,-1.6 3,-1.3 1,-0.2 -1,-0.3 0.424 80.4 98.7 -89.1 2.5 17.2 39.8 46.2 287 291 A E T < S+ 0 0 101 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.1 0.801 70.5 65.7 -61.5 -30.4 18.8 43.1 45.5 288 292 A S T 3 S- 0 0 43 -3,-0.5 -1,-0.3 -4,-0.3 3,-0.1 0.795 90.0-150.8 -61.9 -25.6 18.0 43.2 41.8 289 293 A K < + 0 0 173 -3,-1.3 2,-0.1 1,-0.2 -1,-0.1 0.565 34.3 161.5 65.7 9.1 14.3 43.3 42.9 290 294 A N + 0 0 82 -112,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.420 7.1 166.2 -62.8 130.7 13.3 41.5 39.7 291 295 A S + 0 0 78 -2,-0.1 2,-0.3 -113,-0.1 -113,-0.3 -0.897 6.3 143.2-152.8 118.1 9.9 40.0 40.1 292 296 A Q - 0 0 144 -115,-2.3 2,-0.3 -2,-0.3 -115,-0.0 -0.902 45.4-120.4-159.5 126.4 7.6 38.6 37.4 293 297 A R - 0 0 33 -2,-0.3 3,-0.2 1,-0.2 -115,-0.1 -0.517 23.0-174.1 -69.1 125.1 5.2 35.7 37.4 294 298 A L S S+ 0 0 70 -2,-0.3 2,-0.8 1,-0.2 -1,-0.2 0.770 74.2 56.3 -90.0 -31.7 6.2 33.2 34.7 295 299 A F + 0 0 58 1,-0.1 -1,-0.2 2,-0.1 -122,-0.1 -0.814 58.6 171.2-107.6 93.3 3.2 30.9 34.9 296 300 A L - 0 0 80 -2,-0.8 4,-0.2 -3,-0.2 -1,-0.1 0.641 26.2-151.7 -75.5 -16.8 0.1 33.0 34.4 297 301 A Q > + 0 0 40 1,-0.2 3,-1.8 2,-0.1 11,-0.1 0.899 26.8 174.5 42.6 46.9 -2.3 30.0 34.2 298 302 A D G > + 0 0 103 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.523 58.3 84.3 -65.4 -6.5 -4.4 32.3 32.0 299 303 A F G 3 S+ 0 0 63 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.702 84.3 64.7 -67.2 -15.5 -7.0 29.7 31.2 300 304 A M G X S+ 0 0 0 -3,-1.8 3,-2.5 -4,-0.2 -1,-0.3 0.566 73.2 127.7 -81.1 -10.0 -8.5 30.8 34.5 301 305 A T T < S+ 0 0 71 -3,-1.8 -3,-0.0 1,-0.3 8,-0.0 -0.236 77.4 13.7 -50.6 125.8 -9.2 34.3 33.0 302 306 A G T 3 S+ 0 0 63 1,-0.3 -1,-0.3 4,-0.1 -2,-0.1 0.241 93.5 127.2 92.2 -14.7 -12.8 35.2 33.6 303 307 A H X - 0 0 7 -3,-2.5 3,-2.0 1,-0.1 -1,-0.3 -0.570 67.4-127.1 -77.3 138.1 -13.5 32.4 36.1 304 308 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -180,-0.1 0.749 110.8 46.1 -57.7 -23.3 -15.0 33.6 39.4 305 309 A E T 3 S+ 0 0 15 -191,-0.1 2,-0.7 -5,-0.1 -2,-0.1 -0.022 74.2 146.5-109.2 30.5 -12.2 31.9 41.3 306 310 A D X - 0 0 9 -3,-2.0 3,-1.6 1,-0.2 4,-0.2 -0.564 38.8-154.5 -67.1 111.8 -9.4 33.1 39.1 307 311 A A T 3 S+ 0 0 10 -2,-0.7 3,-0.2 1,-0.3 -1,-0.2 0.762 92.0 40.7 -61.0 -27.6 -6.6 33.4 41.7 308 312 A F T >> S+ 0 0 14 1,-0.2 3,-2.7 -11,-0.1 4,-0.5 0.063 73.5 130.1-110.4 23.7 -4.7 36.0 39.7 309 313 A A G X4 + 0 0 58 -3,-1.6 3,-1.2 1,-0.3 -1,-0.2 0.815 68.5 60.3 -45.1 -40.5 -7.8 38.0 38.6 310 314 A A G 34 S+ 0 0 107 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.649 102.7 52.4 -66.3 -16.0 -6.2 41.3 39.7 311 315 A E G <4 0 0 110 -3,-2.7 -1,-0.2 -15,-0.1 -2,-0.2 0.504 360.0 360.0 -98.1 -6.9 -3.2 40.8 37.3 312 316 A R << 0 0 107 -3,-1.2 -3,-0.0 -4,-0.5 -14,-0.0 -0.395 360.0 360.0 -71.7 360.0 -5.3 40.2 34.1