==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-NOV-99 1DEX . COMPND 2 MOLECULE: RHAMNOGALACTURONAN ACETYLESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS ACULEATUS; . AUTHOR A.MOLGAARD,S.KAUPPINEN,S.LARSEN . 233 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9792.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 3.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 12 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 2 0 1 0 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 PARALLEL BRIDGES PER LADDER . 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 A T 0 0 96 0, 0.0 33,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 135.7 26.8 26.6 37.3 2 2 A T E -a 34 0A 30 31,-0.2 64,-2.4 60,-0.1 2,-0.5 -0.944 360.0-151.9-124.1 144.3 29.9 24.5 36.9 3 3 A V E -ab 35 66A 0 31,-2.7 33,-2.9 -2,-0.4 2,-0.4 -0.986 13.0-158.6-116.9 117.1 33.5 25.5 37.4 4 4 A Y E -ab 36 67A 24 62,-3.0 64,-3.0 -2,-0.5 2,-0.5 -0.831 2.1-154.4 -98.8 137.1 36.0 23.6 35.4 5 5 A L E -ab 37 68A 0 31,-2.4 33,-1.9 -2,-0.4 2,-0.5 -0.950 10.5-176.6-113.4 129.4 39.7 23.5 36.4 6 6 A A E + b 0 69A 0 62,-2.7 64,-2.5 -2,-0.5 2,-0.3 -0.993 37.1 98.9-124.2 121.2 42.5 23.0 33.9 7 7 A G E - b 0 70A 0 -2,-0.5 33,-2.0 31,-0.2 36,-0.2 -0.937 58.6 -86.3-173.2-161.5 46.0 22.7 35.4 8 8 A D >> - 0 0 1 62,-0.5 4,-2.6 -2,-0.3 3,-1.7 -0.116 64.2 -55.6-113.6-155.6 48.8 20.5 36.6 9 9 A S T 34 S+ 0 0 9 31,-0.3 32,-0.1 1,-0.3 8,-0.1 0.660 126.7 63.7 -62.3 -21.8 50.0 18.6 39.7 10 10 A T T 34 S+ 0 0 5 1,-0.1 13,-2.4 12,-0.1 -1,-0.3 0.658 118.9 26.9 -76.9 -12.2 49.9 21.7 41.8 11 11 A M T <4 S+ 0 0 0 -3,-1.7 13,-1.2 11,-0.3 14,-0.4 0.658 102.2 101.8-117.3 -28.9 46.1 21.8 41.2 12 12 A A S >< S- 0 0 4 -4,-2.6 3,-2.2 1,-0.1 10,-0.9 -0.151 81.5 -94.3 -67.6 154.0 45.2 18.2 40.6 13 13 A K T 3 S+ 0 0 135 26,-0.3 28,-0.2 1,-0.3 -1,-0.1 -0.421 117.2 18.1 -62.1 131.0 43.5 15.6 42.8 14 14 A N T > S- 0 0 115 8,-0.1 3,-2.5 -2,-0.1 6,-0.3 0.455 98.0-145.7 79.7 4.5 46.4 13.6 44.5 15 15 A G T < - 0 0 6 -3,-2.2 26,-0.2 1,-0.3 -5,-0.1 -0.102 64.6 -23.3 43.3-122.7 48.9 16.4 43.6 16 16 A G T 3 S- 0 0 33 1,-0.4 -1,-0.3 180,-0.2 2,-0.1 0.145 101.9-103.3-105.2 19.9 52.3 15.0 42.9 17 17 A G S X S+ 0 0 32 -3,-2.5 3,-1.8 3,-0.3 -1,-0.4 -0.310 91.2 78.1 87.4-178.1 51.8 11.7 44.8 18 18 A S T 3 S- 0 0 88 1,-0.3 3,-0.1 -3,-0.1 -3,-0.0 0.850 126.6 -41.5 38.3 54.5 53.2 10.6 48.2 19 19 A G T 3 S+ 0 0 59 1,-0.3 -1,-0.3 -5,-0.1 2,-0.2 0.472 107.1 122.9 83.7 -1.5 50.7 12.5 50.4 20 20 A T < - 0 0 6 -3,-1.8 2,-0.3 -6,-0.3 -3,-0.3 -0.491 38.7-168.1 -88.6 163.7 50.6 15.8 48.4 21 21 A N - 0 0 27 175,-2.7 175,-0.4 -2,-0.2 2,-0.3 -0.950 19.0-110.8-147.7 162.5 47.5 17.3 47.0 22 22 A G > - 0 0 0 -10,-0.9 3,-1.7 -2,-0.3 -11,-0.3 -0.755 23.1-121.9 -99.3 151.9 46.4 20.0 44.6 23 23 A W G > S+ 0 0 0 -13,-2.4 3,-1.4 -2,-0.3 -12,-0.2 0.677 104.6 72.1 -63.8 -21.7 44.7 23.2 45.4 24 24 A G G >> S+ 0 0 3 -13,-1.2 3,-1.1 1,-0.3 4,-0.5 0.782 87.8 66.8 -65.2 -23.9 41.7 22.6 43.1 25 25 A E G <4 S+ 0 0 69 -3,-1.7 -1,-0.3 -14,-0.4 -2,-0.2 0.692 100.2 49.1 -70.2 -15.1 40.7 20.0 45.7 26 26 A Y G <4 S+ 0 0 48 -3,-1.4 -1,-0.2 -4,-0.2 4,-0.2 0.295 91.2 78.9-111.0 12.8 40.0 22.7 48.3 27 27 A L T X4 S+ 0 0 0 -3,-1.1 3,-1.9 -4,-0.2 4,-0.3 0.849 75.8 68.9 -85.8 -43.1 37.9 25.1 46.2 28 28 A A G >< S+ 0 0 54 -4,-0.5 3,-1.3 1,-0.3 -1,-0.1 0.786 89.2 65.1 -50.3 -35.6 34.5 23.4 46.3 29 29 A S G 3 S+ 0 0 93 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.790 107.1 43.7 -58.5 -30.8 34.0 24.2 50.0 30 30 A Y G < S+ 0 0 47 -3,-1.9 194,-2.8 -4,-0.2 195,-0.5 0.356 103.8 71.2-100.5 5.7 33.9 27.9 49.2 31 31 A L B < -E 223 0B 11 -3,-1.3 192,-0.2 -4,-0.3 4,-0.1 -0.931 63.4-146.4-124.8 146.4 31.7 28.0 46.1 32 32 A S S S+ 0 0 94 190,-2.4 2,-0.3 -2,-0.4 191,-0.1 0.234 81.5 84.7 -90.5 15.2 28.0 27.5 45.6 33 33 A A S S- 0 0 14 189,-0.3 2,-0.2 -5,-0.1 -31,-0.2 -0.766 90.5 -97.8-114.4 158.5 28.8 25.9 42.2 34 34 A T E -a 2 0A 91 -33,-1.9 -31,-2.7 -2,-0.3 2,-0.5 -0.574 37.8-147.7 -72.0 136.4 29.8 22.4 41.2 35 35 A V E -a 3 0A 32 -2,-0.2 2,-0.6 -33,-0.2 -31,-0.2 -0.926 12.4-169.6-111.9 129.1 33.6 22.1 40.8 36 36 A V E -a 4 0A 47 -33,-2.9 -31,-2.4 -2,-0.5 2,-1.0 -0.975 11.5-154.0-119.8 111.0 35.1 19.7 38.2 37 37 A N E +a 5 0A 32 -2,-0.6 -24,-0.2 -33,-0.2 -31,-0.1 -0.775 24.2 165.3 -91.5 99.9 38.8 19.3 38.6 38 38 A D + 0 0 59 -33,-1.9 -31,-0.2 -2,-1.0 2,-0.1 0.029 32.0 127.8 -99.9 21.4 40.3 18.4 35.2 39 39 A A - 0 0 11 -33,-0.2 2,-0.3 -28,-0.2 -26,-0.3 -0.492 39.9-165.2 -77.7 149.8 43.9 19.1 36.2 40 40 A V > - 0 0 36 -33,-2.0 3,-1.4 -2,-0.1 -31,-0.3 -0.993 24.4-104.9-140.6 134.5 46.4 16.3 35.6 41 41 A A T 3 S+ 0 0 44 -2,-0.3 -25,-0.1 -33,-0.3 -33,-0.0 -0.219 100.3 19.0 -59.2 140.6 49.9 15.8 36.9 42 42 A G T 3 S+ 0 0 18 1,-0.2 -1,-0.2 43,-0.0 2,-0.2 0.371 89.8 133.8 84.0 -4.4 52.8 16.5 34.5 43 43 A R < - 0 0 67 -3,-1.4 31,-0.4 -36,-0.2 -1,-0.2 -0.544 31.6-172.7 -86.7 146.7 50.8 18.6 31.9 44 44 A S > - 0 0 0 -2,-0.2 4,-2.0 30,-0.2 5,-0.3 -0.589 49.2 -90.7-117.6 178.3 51.9 21.9 30.3 45 45 A A H > S+ 0 0 0 -2,-0.2 4,-1.4 2,-0.2 5,-0.1 0.925 128.3 49.5 -60.8 -37.3 49.7 24.2 28.1 46 46 A R H > S+ 0 0 1 39,-0.5 4,-3.1 2,-0.2 3,-0.2 0.974 114.1 38.7 -63.6 -62.6 51.2 22.2 25.1 47 47 A S H > S+ 0 0 0 38,-0.3 4,-2.7 1,-0.2 6,-0.2 0.837 113.2 56.4 -64.1 -30.5 50.5 18.6 26.3 48 48 A Y H <>S+ 0 0 1 -4,-2.0 5,-2.1 2,-0.2 6,-0.8 0.892 113.6 42.0 -66.7 -36.1 47.1 19.5 27.8 49 49 A T H ><5S+ 0 0 54 -4,-1.4 3,-2.2 -5,-0.3 6,-0.2 0.971 114.6 50.0 -71.8 -52.3 46.2 20.8 24.3 50 50 A R H 3<5S+ 0 0 86 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.864 106.5 55.4 -55.2 -39.2 47.7 17.9 22.4 51 51 A E T 3<5S- 0 0 70 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.410 116.3-114.2 -78.4 6.6 46.0 15.3 24.6 52 52 A G T <>5S+ 0 0 16 -3,-2.2 4,-1.6 -5,-0.1 -3,-0.2 0.692 76.8 130.4 71.1 23.3 42.6 16.9 23.8 53 53 A R H > S+ 0 0 8 -6,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.879 112.9 53.8 -67.8 -36.2 41.0 21.7 26.6 55 55 A E H > S+ 0 0 122 -6,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.891 104.8 53.1 -64.8 -40.5 38.8 20.2 23.8 56 56 A N H X S+ 0 0 98 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.892 108.3 49.0 -65.2 -36.3 37.0 18.0 26.2 57 57 A I H X S+ 0 0 1 -4,-1.5 4,-2.8 1,-0.2 3,-0.5 0.953 108.7 55.2 -66.3 -43.2 36.1 20.8 28.5 58 58 A A H < S+ 0 0 11 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.872 103.3 57.0 -54.7 -39.1 34.9 22.8 25.4 59 59 A D H < S+ 0 0 101 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.896 118.2 28.5 -60.7 -44.1 32.5 19.8 24.6 60 60 A V H < S+ 0 0 84 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.734 93.4 103.7 -94.7 -22.6 30.7 19.9 28.0 61 61 A V < - 0 0 0 -4,-2.8 2,-0.3 -5,-0.2 65,-0.1 -0.244 51.2-167.8 -62.8 141.9 31.0 23.6 29.1 62 62 A T > - 0 0 83 -60,-0.1 3,-2.2 63,-0.1 -60,-0.1 -0.827 36.6 -65.7-125.7 169.1 27.8 25.6 28.7 63 63 A A T 3 S+ 0 0 74 -2,-0.3 63,-0.2 1,-0.3 62,-0.2 -0.292 121.2 25.7 -55.2 132.2 26.9 29.3 28.8 64 64 A G T 3 S+ 0 0 29 61,-2.3 -1,-0.3 1,-0.4 62,-0.2 0.225 93.3 120.1 98.2 -17.0 27.4 30.7 32.3 65 65 A D < - 0 0 9 -3,-2.2 62,-3.4 -64,-0.1 -1,-0.4 -0.312 56.2-130.8 -76.9 166.6 30.0 28.2 33.4 66 66 A Y E -bc 3 127A 3 -64,-2.4 -62,-3.0 60,-0.2 2,-0.4 -0.882 13.7-165.2-117.0 150.6 33.6 29.1 34.5 67 67 A V E -bc 4 128A 0 60,-2.1 62,-2.6 -2,-0.3 2,-0.5 -0.993 5.6-163.1-135.6 123.7 36.9 27.6 33.3 68 68 A I E -bc 5 129A 0 -64,-3.0 -62,-2.7 -2,-0.4 2,-0.5 -0.968 8.3-168.3-111.4 121.9 40.0 28.4 35.4 69 69 A V E +bc 6 130A 1 60,-2.5 62,-2.9 -2,-0.5 2,-0.4 -0.945 12.0 168.4-116.7 126.7 43.2 27.7 33.6 70 70 A E E +b 7 0A 2 -64,-2.5 -62,-0.5 -2,-0.5 2,-0.3 -0.891 11.9 144.1-144.6 106.5 46.6 27.7 35.3 71 71 A F + 0 0 1 60,-0.5 62,-0.5 -2,-0.4 -27,-0.1 -0.846 20.3 104.0-132.8 170.6 49.8 26.4 33.8 72 72 A G > + 0 0 2 -2,-0.3 3,-0.9 60,-0.1 4,-0.4 -0.048 60.5 87.7 149.1 -39.4 53.5 27.2 33.9 73 73 A H T 3 S+ 0 0 38 1,-0.2 3,-0.2 2,-0.1 -29,-0.1 0.834 103.4 30.7 -55.9 -41.2 55.3 24.7 36.1 74 74 A N T 3 S+ 0 0 46 -31,-0.4 -1,-0.2 1,-0.1 -30,-0.2 0.322 99.4 89.4-102.0 8.5 55.9 22.2 33.3 75 75 A D S < S+ 0 0 2 -3,-0.9 12,-1.8 11,-0.1 -1,-0.1 0.635 73.5 68.5 -84.7 -16.4 56.1 24.7 30.4 76 76 A G + 0 0 21 -4,-0.4 2,-0.2 -3,-0.2 9,-0.1 0.074 56.6 90.5 -85.9-158.2 59.8 25.5 30.4 77 77 A G S S- 0 0 65 9,-0.1 2,-0.4 8,-0.1 5,-0.1 -0.543 76.9 -55.3 103.3-171.1 62.8 23.4 29.5 78 78 A S > - 0 0 57 3,-0.2 3,-0.9 -2,-0.2 5,-0.3 -0.930 23.8-151.7-115.9 135.2 64.6 22.8 26.2 79 79 A L G > S+ 0 0 43 -2,-0.4 3,-1.0 1,-0.2 -1,-0.1 0.609 91.5 76.5 -77.1 -11.2 63.1 21.7 22.9 80 80 A S G 3 S+ 0 0 112 1,-0.3 -1,-0.2 18,-0.1 2,-0.1 0.759 108.2 31.2 -67.5 -31.5 66.5 20.1 21.9 81 81 A T G < S- 0 0 114 -3,-0.9 -1,-0.3 0, 0.0 -3,-0.2 -0.611 100.2-156.3-124.4 65.3 65.7 17.2 24.3 82 82 A D < - 0 0 29 -3,-1.0 -3,-0.1 1,-0.2 -5,-0.0 -0.263 20.6-177.4 -54.0 114.0 61.9 17.5 23.8 83 83 A N - 0 0 65 -5,-0.3 -1,-0.2 -2,-0.2 -4,-0.1 0.305 51.5-107.6 -94.0 5.6 60.0 16.0 26.8 84 84 A G S S+ 0 0 0 2,-0.1 -40,-0.2 -5,-0.1 -2,-0.1 0.315 108.0 70.1 84.9 -4.2 56.6 16.6 25.1 85 85 A R + 0 0 86 -39,-0.1 -39,-0.5 -9,-0.1 -38,-0.3 0.770 63.1 103.8-112.0 -39.4 55.8 19.5 27.5 86 86 A T - 0 0 5 -8,-0.1 -10,-0.2 -40,-0.1 2,-0.1 -0.244 61.2-140.9 -53.6 129.7 58.0 22.4 26.6 87 87 A D - 0 0 9 -12,-1.8 22,-0.2 1,-0.1 2,-0.2 -0.422 29.2 -88.0 -86.5 168.1 56.2 25.2 24.6 88 88 A a B -f 109 0C 8 20,-2.6 22,-0.6 6,-0.1 -1,-0.1 -0.505 51.3-105.3 -73.2 144.2 57.7 27.1 21.8 89 89 A S S S+ 0 0 102 -2,-0.2 2,-0.2 20,-0.1 3,-0.1 -0.404 76.9 61.8 -68.4 150.9 59.6 30.3 22.9 90 90 A G S S- 0 0 20 1,-0.1 20,-0.4 -2,-0.1 -3,-0.0 -0.530 74.6-109.5 122.2 170.8 57.9 33.6 22.4 91 91 A T S S+ 0 0 66 -2,-0.2 -1,-0.1 18,-0.1 -2,-0.0 0.500 91.3 30.8-116.1 -12.3 54.9 35.6 23.4 92 92 A G S S- 0 0 26 -3,-0.1 17,-0.5 19,-0.1 20,-0.3 0.074 114.0 -30.7-117.5-133.3 53.0 35.6 20.1 93 93 A A S S+ 0 0 95 15,-0.1 -3,-0.1 18,-0.1 0, 0.0 0.248 79.0 138.8 -79.3 12.7 52.3 33.6 16.9 94 94 A E - 0 0 90 -6,-0.1 15,-0.5 1,-0.1 2,-0.3 -0.253 37.9-153.5 -60.1 146.6 55.8 32.0 16.8 95 95 A V - 0 0 65 13,-0.1 2,-0.3 2,-0.0 13,-0.2 -0.934 11.7-170.6-128.6 142.5 55.7 28.4 15.8 96 96 A a E -G 107 0D 32 11,-2.4 11,-3.3 -2,-0.3 2,-0.4 -0.918 8.7-151.3-127.2 156.1 58.2 25.5 16.5 97 97 A Y E +G 106 0D 149 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.992 21.7 160.2-130.3 139.3 58.4 21.9 15.1 98 98 A S E -G 105 0D 20 7,-1.4 7,-2.5 -2,-0.4 2,-0.7 -0.966 40.6-116.9-156.6 143.0 59.7 18.9 16.9 99 99 A V E +G 104 0D 105 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.748 45.7 160.8 -87.0 115.7 59.4 15.2 16.5 100 100 A Y E > -G 103 0D 62 3,-2.3 3,-1.1 -2,-0.7 -2,-0.1 -0.985 63.4 -8.3-139.2 126.9 57.8 13.8 19.6 101 101 A D T 3 S- 0 0 138 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.892 129.4 -51.1 56.5 42.0 56.0 10.5 20.0 102 102 A G T 3 S+ 0 0 78 1,-0.2 2,-0.4 3,-0.0 -1,-0.2 0.598 117.9 101.8 74.6 13.2 56.2 9.7 16.3 103 103 A V E < S-G 100 0D 85 -3,-1.1 -3,-2.3 -5,-0.1 2,-1.5 -0.982 73.6-131.3-129.8 137.4 54.7 13.0 15.1 104 104 A N E -G 99 0D 106 -2,-0.4 -5,-0.3 -5,-0.2 2,-0.2 -0.784 48.7-152.9 -82.9 93.3 56.5 16.1 13.6 105 105 A E E -G 98 0D 18 -7,-2.5 -7,-1.4 -2,-1.5 2,-0.7 -0.538 16.6-135.0 -80.7 134.5 54.5 18.2 16.0 106 106 A T E -G 97 0D 80 -2,-0.2 2,-0.5 -9,-0.2 -9,-0.2 -0.820 29.2-161.7 -85.1 119.0 53.5 21.9 15.5 107 107 A I E -G 96 0D 0 -11,-3.3 -11,-2.4 -2,-0.7 2,-0.1 -0.917 4.4-160.8-112.5 125.6 54.2 23.6 18.8 108 108 A L - 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0 0 22 -4,-1.4 4,-2.2 -3,-0.1 5,-0.3 -0.087 21.4 -67.5 97.4 163.9 57.6 32.4 57.6 182 182 A N H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.914 122.9 46.5 -55.4 -58.9 60.3 29.9 57.0 183 183 A A H > S+ 0 0 77 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.888 116.3 45.5 -55.5 -46.7 59.4 26.9 59.3 184 184 A T H > S+ 0 0 59 -4,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.923 113.7 45.4 -66.3 -49.0 55.7 26.9 58.3 185 185 A V H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 4,-0.4 0.915 110.2 55.6 -66.1 -36.1 56.1 27.2 54.5 186 186 A N H >< S+ 0 0 51 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.869 100.7 59.5 -63.6 -31.7 58.8 24.6 54.5 187 187 A S H 3< S+ 0 0 75 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.690 96.0 63.3 -69.8 -18.4 56.4 22.2 56.2 188 188 A Y T << S+ 0 0 24 -3,-1.4 9,-2.2 -4,-0.6 -1,-0.3 0.636 95.6 63.5 -78.2 -16.1 54.1 22.6 53.2 189 189 A F < + 0 0 17 -3,-1.4 -1,-0.2 -4,-0.4 7,-0.1 -0.706 61.1 167.4-113.7 81.7 56.7 21.0 50.9 190 190 A P S S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.776 75.5 10.9 -64.7 -34.2 57.2 17.4 52.1 191 191 A I S S- 0 0 91 4,-0.4 2,-0.3 1,-0.2 5,-0.1 0.567 128.4 -4.1-126.5 -14.5 59.1 15.8 49.2 192 192 A D S S- 0 0 61 3,-0.4 -1,-0.2 0, 0.0 -55,-0.0 -0.893 77.9 -89.7-159.7-172.6 60.3 18.5 46.8 193 193 A H S S+ 0 0 70 -2,-0.3 -56,-2.5 1,-0.1 -53,-0.1 0.318 113.9 47.5 -97.0 15.5 59.9 22.3 46.3 194 194 A T S S+ 0 0 25 -58,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.781 88.9 74.2-117.8 -50.0 56.8 22.1 44.1 195 195 A H - 0 0 29 -179,-0.1 -4,-0.4 -6,-0.0 -3,-0.4 -0.639 66.4-143.4 -82.7 128.1 54.1 19.8 45.6 196 196 A T - 0 0 8 -175,-0.4 -175,-2.7 -2,-0.4 -7,-0.2 -0.610 9.5-126.4 -91.1 146.6 52.1 21.0 48.6 197 197 A S > - 0 0 19 -9,-2.2 4,-2.5 -2,-0.3 5,-0.2 -0.230 47.2 -89.0 -74.5 170.5 50.8 18.9 51.5 198 198 A P H > S+ 0 0 65 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.879 131.2 51.1 -54.0 -36.7 47.0 19.1 52.2 199 199 A A H > S+ 0 0 54 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.912 111.3 46.9 -66.5 -43.2 47.6 22.1 54.5 200 200 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.848 109.7 54.0 -66.4 -35.2 49.7 23.9 51.9 201 201 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.865 107.6 50.9 -65.6 -39.9 47.1 23.2 49.2 202 202 A E H X S+ 0 0 43 -4,-1.7 4,-2.5 -5,-0.2 -2,-0.2 0.903 110.5 48.5 -62.0 -45.5 44.4 24.8 51.5 203 203 A V H X S+ 0 0 11 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.921 112.1 49.6 -60.6 -45.0 46.6 27.9 51.9 204 204 A V H X S+ 0 0 3 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.905 111.4 48.7 -61.4 -42.5 47.1 28.0 48.1 205 205 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.887 110.6 50.1 -65.1 -44.2 43.3 27.7 47.5 206 206 A E H X S+ 0 0 40 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.872 108.0 54.6 -62.1 -37.5 42.5 30.4 50.0 207 207 A A H X S+ 0 0 7 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.856 105.9 52.0 -66.3 -34.0 45.1 32.7 48.3 208 208 A F H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.955 112.3 45.7 -64.5 -48.3 43.4 32.2 44.9 209 209 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.851 109.0 54.8 -63.9 -34.4 40.1 33.2 46.6 210 210 A K H X S+ 0 0 38 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.929 108.8 49.7 -62.2 -45.5 41.7 36.2 48.3 211 211 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 6,-0.3 0.890 109.2 53.0 -58.5 -42.9 42.9 37.3 44.8 212 212 A V H X>S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 5,-1.4 0.923 112.4 41.9 -60.4 -48.6 39.4 36.9 43.4 213 213 A V H <5S+ 0 0 41 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.922 116.2 49.6 -66.7 -44.3 37.7 39.1 46.1 214 214 A b H <5S+ 0 0 36 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.875 118.1 37.8 -63.7 -40.1 40.5 41.8 46.0 215 215 A T H <5S- 0 0 76 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.668 106.3-120.9 -88.3 -16.6 40.5 42.1 42.2 216 216 A G T <5 - 0 0 50 -4,-1.6 -3,-0.2 -5,-0.2 -4,-0.1 0.718 42.3-179.0 83.5 22.0 36.7 41.8 41.7 217 217 A T > < - 0 0 4 -5,-1.4 3,-2.4 -6,-0.3 4,-0.2 -0.201 39.6-112.9 -54.9 144.0 36.9 38.7 39.4 218 218 A S G > S+ 0 0 32 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.718 111.8 74.9 -51.1 -30.5 33.5 37.5 38.1 219 219 A L G > S+ 0 0 1 1,-0.3 3,-2.5 2,-0.1 4,-0.3 0.722 73.0 87.1 -57.2 -21.6 33.8 34.3 40.2 220 220 A K G X S+ 0 0 96 -3,-2.4 3,-1.4 1,-0.3 -1,-0.3 0.810 75.8 69.0 -46.3 -35.9 33.0 36.5 43.2 221 221 A S G < S+ 0 0 86 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.1 0.608 103.7 37.8 -66.2 -16.7 29.4 35.9 42.5 222 222 A V G < S+ 0 0 16 -3,-2.5 -190,-2.4 -4,-0.1 2,-0.4 0.210 88.3 118.4-115.9 15.7 29.4 32.2 43.5 223 223 A L B < -E 31 0B 25 -3,-1.4 -192,-0.2 -4,-0.3 3,-0.1 -0.689 50.0-159.8 -83.5 128.0 31.9 32.7 46.5 224 224 A T S S+ 0 0 85 -194,-2.8 2,-0.3 -2,-0.4 -193,-0.1 0.658 71.5 11.8 -83.4 -19.1 30.3 31.7 49.8 225 225 A T - 0 0 50 -195,-0.5 -1,-0.2 1,-0.0 -195,-0.0 -0.984 45.0-160.4-156.0 156.1 32.6 33.7 52.0 226 226 A T + 0 0 78 -2,-0.3 2,-1.4 -3,-0.1 -1,-0.0 0.201 54.9 123.5-124.0 13.0 35.3 36.4 51.8 227 227 A S + 0 0 103 0, 0.0 2,-0.3 0, 0.0 -17,-0.1 -0.603 34.5 133.6 -82.4 89.8 36.9 35.6 55.2 228 228 A F - 0 0 23 -2,-1.4 -2,-0.0 2,-0.1 -21,-0.0 -0.999 53.0-112.8-139.6 142.0 40.6 35.0 54.3 229 229 A E S S+ 0 0 101 -2,-0.3 2,-0.1 2,-0.0 -53,-0.1 -0.162 72.6 50.7 -68.4 167.7 43.8 36.2 55.8 230 230 A G S S- 0 0 44 -55,-0.1 2,-0.3 -54,-0.1 -2,-0.1 -0.422 78.0 -89.2 98.5-174.6 46.3 38.5 54.0 231 231 A T - 0 0 96 2,-0.2 2,-0.3 -2,-0.1 -17,-0.1 -0.800 45.3 -79.1-131.8 168.3 45.8 41.8 52.3 232 232 A b 0 0 66 -2,-0.3 -21,-0.1 -18,-0.1 -2,-0.0 -0.605 360.0 360.0 -78.6 128.8 45.0 43.0 48.7 233 233 A L 0 0 159 -2,-0.3 -2,-0.2 -65,-0.1 -22,-0.0 0.715 360.0 360.0 102.4 360.0 48.0 42.9 46.3