==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-MAR-11 3R3W . COMPND 2 MOLECULE: FLUOROACETATE DEHALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS; . AUTHOR P.W.Y.CHAN,A.F.YAKUNIN,E.A.EDWARDS,E.F.PAI . 583 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21309.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 410 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 0 0.0 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 . 24 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 3 3 7 0 1 0 0 4 5 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 4 3 3 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 . 0 0 0 0 4 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 . 0 0 0 0 0 0 2 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 4 A L 0 0 117 0, 0.0 194,-0.1 0, 0.0 193,-0.1 0.000 360.0 360.0 360.0 131.9 7.8 -29.9 27.6 2 5 A A - 0 0 33 192,-0.2 2,-0.8 1,-0.1 196,-0.0 -0.304 360.0-124.0 -72.4 153.2 5.4 -29.7 24.7 3 6 A D + 0 0 97 1,-0.1 -1,-0.1 -2,-0.0 191,-0.0 -0.810 30.8 177.3 -88.8 109.6 5.8 -27.8 21.5 4 7 A L + 0 0 9 -2,-0.8 -1,-0.1 1,-0.2 -2,-0.0 0.294 60.9 71.6 -99.2 7.2 2.7 -25.6 21.5 5 8 A F S > S- 0 0 0 3,-0.1 3,-2.3 43,-0.1 -1,-0.2 -0.662 78.0-143.0-128.7 83.6 3.5 -23.7 18.3 6 9 A P T 3 S- 0 0 104 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.108 81.5 -7.4 -51.7 121.4 3.0 -25.9 15.2 7 10 A G T 3 S+ 0 0 82 1,-0.2 2,-0.3 18,-0.1 19,-0.1 0.520 95.2 136.0 69.4 5.5 5.6 -25.2 12.6 8 11 A F < - 0 0 21 -3,-2.3 17,-0.2 17,-0.1 -1,-0.2 -0.690 50.9-128.2 -77.9 142.2 7.1 -22.1 14.3 9 12 A G E -A 24 0A 40 15,-2.6 15,-1.5 -2,-0.3 2,-0.4 -0.150 14.3-129.3 -73.3 177.8 10.9 -22.0 14.4 10 13 A S E -A 23 0A 75 13,-0.3 2,-0.3 -2,-0.0 13,-0.2 -0.997 25.2-178.7-138.2 126.1 13.0 -21.4 17.5 11 14 A E E -A 22 0A 85 11,-2.9 11,-2.6 -2,-0.4 2,-0.5 -0.975 21.1-155.6-129.8 142.8 15.7 -18.7 17.8 12 15 A W E -A 21 0A 122 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.988 27.7-157.5-114.6 112.6 18.1 -17.8 20.6 13 16 A I E -A 20 0A 8 7,-3.3 7,-2.3 -2,-0.5 2,-0.2 -0.810 6.6-133.0-102.5 117.6 18.9 -14.2 19.8 14 17 A N + 0 0 107 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.466 31.0 164.5 -67.8 140.4 22.1 -12.5 21.1 15 18 A T > - 0 0 22 -2,-0.2 3,-1.4 80,-0.0 73,-0.1 -0.965 52.7 -99.5-141.6 167.3 22.0 -9.1 22.7 16 19 A S T 3 S+ 0 0 96 -2,-0.3 3,-0.1 1,-0.3 72,-0.1 0.689 123.5 45.5 -58.5 -22.7 24.4 -7.1 24.9 17 20 A S T 3 S- 0 0 52 1,-0.4 -1,-0.3 71,-0.1 2,-0.2 0.467 126.6 -68.6-101.9 -2.7 22.4 -8.1 27.9 18 21 A G < - 0 0 16 -3,-1.4 -1,-0.4 70,-0.1 2,-0.2 -0.666 66.0 -52.0 128.2 160.3 21.9 -11.8 27.2 19 22 A R - 0 0 90 -2,-0.2 50,-2.4 -5,-0.2 2,-0.5 -0.494 41.0-148.4 -71.8 147.2 20.1 -14.1 24.9 20 23 A I E -A 13 0A 1 -7,-2.3 -7,-3.3 48,-0.2 2,-0.4 -0.964 12.0-143.9-112.3 124.8 16.4 -13.8 24.2 21 24 A F E +A 12 0A 2 -2,-0.5 40,-2.9 -9,-0.2 2,-0.3 -0.685 28.6 169.6 -83.1 136.2 14.6 -17.0 23.4 22 25 A A E -AB 11 60A 0 -11,-2.6 -11,-2.9 -2,-0.4 2,-0.4 -0.993 34.4-140.6-144.9 148.6 11.8 -16.8 20.8 23 26 A R E -AB 10 59A 17 36,-2.3 36,-3.3 -2,-0.3 2,-0.4 -0.841 28.5-164.2 -93.5 143.9 9.4 -18.8 18.7 24 27 A V E +AB 9 58A 16 -15,-1.5 -15,-2.6 -2,-0.4 2,-0.3 -0.993 18.9 145.1-137.0 132.3 9.0 -17.3 15.2 25 28 A G E + B 0 57A 7 32,-2.4 32,-2.7 -2,-0.4 -17,-0.1 -0.909 32.2 36.4-153.7 179.7 6.3 -18.1 12.7 26 29 A G E - B 0 56A 27 -2,-0.3 2,-0.3 30,-0.2 30,-0.3 -0.220 65.7-108.0 70.7-160.7 4.1 -16.7 9.9 27 30 A D + 0 0 113 28,-0.7 -1,-0.0 25,-0.6 -2,-0.0 -0.942 66.5 63.0-167.7 158.0 5.0 -14.1 7.3 28 31 A G S S+ 0 0 49 -2,-0.3 27,-0.2 27,-0.2 28,-0.1 -0.822 92.5 2.6 114.8-163.8 4.0 -10.5 6.8 29 32 A P S S- 0 0 79 0, 0.0 27,-2.1 0, 0.0 2,-0.3 -0.241 86.6 -99.9 -58.7 145.2 4.5 -7.3 9.0 30 33 A P E -c 56 0A 31 0, 0.0 72,-2.6 0, 0.0 2,-0.4 -0.549 41.0-177.0 -79.3 131.0 6.5 -8.1 12.1 31 34 A L E -cd 57 102A 0 25,-2.9 27,-2.9 -2,-0.3 2,-0.5 -0.982 10.4-156.8-132.7 118.5 4.7 -8.5 15.4 32 35 A L E -cd 58 103A 1 70,-2.7 72,-2.7 -2,-0.4 2,-0.5 -0.827 6.3-160.4 -95.5 132.8 6.3 -9.1 18.8 33 36 A L E -cd 59 104A 0 25,-2.8 27,-1.5 -2,-0.5 2,-0.5 -0.959 5.3-167.2-115.7 124.8 4.4 -10.7 21.6 34 37 A L E -cd 60 105A 0 70,-2.6 72,-2.3 -2,-0.5 27,-0.1 -0.948 2.3-160.9-122.0 119.3 5.5 -10.3 25.2 35 38 A H - 0 0 0 25,-0.7 74,-0.3 -2,-0.5 2,-0.2 -0.022 9.1-158.6 -74.2 177.2 4.2 -12.4 28.1 36 39 A G > + 0 0 0 72,-0.2 3,-1.9 4,-0.2 71,-0.1 -0.502 35.1 6.0-134.2-143.6 4.4 -11.6 31.8 37 40 A F T 3 S+ 0 0 2 1,-0.3 71,-0.1 -2,-0.2 3,-0.1 -0.753 117.6 0.3 -97.6 137.4 4.3 -13.2 35.3 38 41 A P T 3 S+ 0 0 3 0, 0.0 -1,-0.3 0, 0.0 165,-0.2 -0.458 120.6 74.5 -99.0 60.7 4.2 -16.1 36.2 39 42 A Q < - 0 0 2 -3,-1.9 2,-0.2 163,-0.1 27,-0.2 -0.493 58.6-143.1-121.4-170.4 4.2 -17.2 32.6 40 43 A T > - 0 0 4 -2,-0.2 3,-2.0 25,-0.1 -4,-0.2 -0.764 52.0 -68.9-141.9-177.1 6.5 -17.6 29.6 41 44 A H G > S+ 0 0 3 1,-0.3 3,-1.7 -2,-0.2 19,-0.1 0.717 117.5 78.3 -48.9 -30.0 6.1 -17.2 25.8 42 45 A V G > + 0 0 1 1,-0.3 3,-2.6 2,-0.1 -1,-0.3 0.687 69.8 81.8 -60.3 -17.7 3.9 -20.2 25.6 43 46 A M G < S+ 0 0 0 -3,-2.0 3,-0.4 1,-0.3 -1,-0.3 0.670 87.4 59.6 -62.9 -12.1 0.9 -18.2 27.0 44 47 A W G X> S+ 0 0 0 -3,-1.7 4,-2.4 1,-0.2 3,-0.9 0.339 72.7 105.8 -89.9 5.0 0.4 -16.9 23.4 45 48 A H T <4 S+ 0 0 12 -3,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.719 75.9 51.5 -65.8 -24.0 -0.1 -20.4 22.0 46 49 A R T 34 S+ 0 0 116 -3,-0.4 4,-0.3 -4,-0.2 -1,-0.3 0.724 121.3 31.3 -80.1 -23.9 -3.9 -20.1 21.5 47 50 A V T <> S+ 0 0 0 -3,-0.9 4,-2.1 -4,-0.1 -2,-0.2 0.687 99.7 78.2-105.8 -24.1 -3.7 -16.9 19.6 48 51 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.872 89.9 56.8 -58.4 -42.3 -0.3 -17.1 17.8 49 52 A P H > S+ 0 0 57 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.936 110.6 44.3 -54.4 -47.6 -1.6 -19.5 15.0 50 53 A K H >4 S+ 0 0 103 -4,-0.3 3,-0.8 1,-0.2 4,-0.3 0.882 114.3 48.7 -61.3 -42.9 -4.3 -17.0 14.0 51 54 A L H >X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 3,-1.7 0.887 103.7 62.3 -65.1 -32.2 -1.9 -14.0 14.2 52 55 A A H 3< S+ 0 0 15 -4,-2.4 -25,-0.6 1,-0.3 -1,-0.2 0.630 88.9 70.1 -72.4 -13.8 0.6 -16.0 12.0 53 56 A E T << S+ 0 0 135 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.726 118.9 17.6 -70.5 -18.0 -1.9 -16.1 9.2 54 57 A R T <4 S+ 0 0 129 -3,-1.7 2,-0.3 -4,-0.3 -2,-0.2 0.575 124.2 42.4-130.6 -18.6 -1.3 -12.3 8.7 55 58 A F S < S- 0 0 10 -4,-2.0 -28,-0.7 -27,-0.2 2,-0.7 -0.933 76.7-110.0-130.8 158.8 1.9 -11.4 10.5 56 59 A K E -Bc 26 30A 74 -27,-2.1 -25,-2.9 -2,-0.3 2,-0.5 -0.835 50.3-152.5 -81.1 112.5 5.5 -12.5 11.0 57 60 A V E -Bc 25 31A 0 -32,-2.7 -32,-2.4 -2,-0.7 2,-0.5 -0.857 19.0-170.2-109.0 123.7 5.0 -13.4 14.7 58 61 A I E -Bc 24 32A 2 -27,-2.9 -25,-2.8 -2,-0.5 2,-0.8 -0.982 4.2-168.3-112.5 111.0 7.9 -13.3 17.2 59 62 A V E -Bc 23 33A 0 -36,-3.3 -36,-2.3 -2,-0.5 2,-0.3 -0.881 18.8-171.4-109.3 98.5 6.9 -14.9 20.5 60 63 A A E -Bc 22 34A 2 -27,-1.5 -25,-0.7 -2,-0.8 2,-0.4 -0.728 27.2-130.1-102.0 145.4 9.7 -13.9 23.0 61 64 A D - 0 0 1 -40,-2.9 -40,-0.2 -2,-0.3 3,-0.1 -0.728 41.0-113.8 -81.7 134.5 10.6 -14.9 26.5 62 65 A L > - 0 0 0 -2,-0.4 3,-2.5 1,-0.2 6,-0.3 -0.199 48.5 -73.4 -62.6 153.9 11.2 -11.7 28.6 63 66 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 7,-0.2 -0.283 125.1 10.8 -43.7 121.3 14.8 -11.0 29.8 64 67 A G T 3 S+ 0 0 0 5,-2.0 2,-0.3 1,-0.2 147,-0.2 0.329 110.8 103.7 85.5 -4.9 15.3 -13.5 32.7 65 68 A Y S X S- 0 0 3 -3,-2.5 3,-2.4 4,-0.2 2,-0.2 -0.715 82.1 -18.2-109.4 155.1 12.2 -15.5 32.0 66 69 A G T 3 S- 0 0 8 1,-0.3 -26,-0.0 -2,-0.3 142,-0.0 -0.375 130.2 -20.0 60.9-118.9 11.6 -18.9 30.3 67 70 A W T 3 S+ 0 0 100 -2,-0.2 -1,-0.3 -46,-0.1 2,-0.1 0.259 107.3 114.1-107.1 0.4 14.7 -19.8 28.3 68 71 A S S < S- 0 0 0 -3,-2.4 -48,-0.2 -6,-0.3 -6,-0.1 -0.451 78.4 -93.6 -61.6 151.6 16.0 -16.3 28.0 69 72 A D - 0 0 54 -50,-2.4 -5,-2.0 -2,-0.1 -4,-0.2 -0.277 31.1-130.0 -62.4 157.4 19.3 -15.6 29.8 70 73 A M - 0 0 60 -7,-0.2 -1,-0.1 -6,-0.1 3,-0.1 -0.808 18.8-153.1-110.2 93.5 19.3 -14.3 33.3 71 74 A P - 0 0 30 0, 0.0 2,-0.2 0, 0.0 -53,-0.1 -0.252 31.9-100.4 -58.8 150.7 21.6 -11.2 33.7 72 75 A E - 0 0 186 1,-0.1 2,-0.0 7,-0.0 139,-0.0 -0.502 43.6-134.9 -68.4 138.0 22.9 -10.7 37.3 73 76 A S - 0 0 24 -2,-0.2 2,-0.2 5,-0.1 -1,-0.1 -0.110 16.8-150.6 -87.0-176.8 20.8 -7.9 38.9 74 77 A D > - 0 0 51 -2,-0.0 3,-1.9 0, 0.0 -1,-0.1 -0.801 39.7 -75.8-146.5-173.7 22.1 -5.0 41.0 75 78 A E T 3 S+ 0 0 151 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 0.734 131.7 43.4 -70.6 -19.4 21.0 -2.7 43.8 76 79 A Q T 3 S- 0 0 111 145,-0.1 -1,-0.3 146,-0.0 146,-0.2 0.248 108.7-122.0-104.9 11.4 18.6 -0.8 41.6 77 80 A H X> + 0 0 29 -3,-1.9 3,-1.7 1,-0.1 4,-0.6 0.796 52.2 166.1 58.5 30.8 17.3 -4.0 39.9 78 81 A T G >4 + 0 0 61 1,-0.3 3,-1.6 2,-0.2 6,-0.4 0.834 61.4 51.1 -56.2 -47.1 18.4 -2.5 36.6 79 82 A P G 34 S+ 0 0 22 0, 0.0 -1,-0.3 0, 0.0 9,-0.1 0.750 113.2 49.0 -67.4 -15.5 18.4 -5.3 34.1 80 83 A Y G <4 S+ 0 0 2 -3,-1.7 -2,-0.2 134,-0.1 2,-0.1 0.330 85.0 110.0-105.4 3.5 14.7 -6.1 35.2 81 84 A T S S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.865 112.4 58.2 -66.1 -35.4 11.1 -2.1 32.0 83 86 A R H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.951 110.9 41.8 -55.2 -47.6 13.5 0.5 30.5 84 87 A A H > S+ 0 0 19 -6,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.897 113.6 52.5 -68.5 -41.6 16.3 -2.0 30.4 85 88 A M H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.919 108.7 50.6 -60.4 -45.1 14.0 -4.8 29.2 86 89 A A H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.916 109.5 49.8 -60.2 -46.8 12.8 -2.7 26.4 87 90 A K H X S+ 0 0 128 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.911 111.2 50.0 -56.3 -42.9 16.3 -1.8 25.2 88 91 A Q H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.918 111.1 48.0 -65.1 -40.4 17.3 -5.4 25.2 89 92 A L H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.820 107.9 56.1 -73.9 -29.8 14.2 -6.4 23.2 90 93 A I H X S+ 0 0 17 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.934 109.2 47.2 -61.3 -45.7 15.0 -3.6 20.7 91 94 A E H X S+ 0 0 69 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.917 110.6 51.3 -61.2 -45.4 18.4 -5.1 20.2 92 95 A A H X S+ 0 0 3 -4,-2.3 4,-0.7 1,-0.2 3,-0.3 0.949 110.0 49.5 -59.9 -46.7 17.0 -8.6 19.8 93 96 A M H ><>S+ 0 0 3 -4,-2.7 5,-2.9 1,-0.2 3,-1.1 0.900 107.5 54.6 -61.1 -36.6 14.5 -7.2 17.1 94 97 A E H ><5S+ 0 0 92 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.867 99.7 61.5 -66.5 -30.6 17.4 -5.5 15.3 95 98 A Q H 3<5S+ 0 0 131 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.805 107.6 44.8 -61.1 -26.4 19.3 -8.8 15.2 96 99 A L T <<5S- 0 0 48 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.357 125.1-104.8 -91.2 -3.7 16.3 -10.0 13.1 97 100 A G T < 5S+ 0 0 56 -3,-1.5 2,-0.6 -4,-0.3 -3,-0.2 0.645 78.2 133.7 83.8 21.6 16.3 -6.9 10.9 98 101 A H < + 0 0 39 -5,-2.9 -1,-0.2 1,-0.1 -2,-0.2 -0.919 11.7 152.7-111.4 107.7 13.2 -5.3 12.6 99 102 A V S S+ 0 0 85 -2,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.301 76.0 36.0-107.3 -4.2 13.6 -1.6 13.5 100 103 A H S S+ 0 0 103 -7,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.927 81.0 144.8-154.0 118.2 10.0 -0.8 13.2 101 104 A F E - e 0 124A 1 22,-2.3 24,-2.2 -2,-0.3 25,-0.4 -0.957 46.7 -98.9-154.3 164.7 7.4 -3.2 14.4 102 105 A A E -d 31 0A 6 -72,-2.6 -70,-2.7 -2,-0.3 2,-0.4 -0.684 38.1-162.4 -88.8 152.7 4.1 -3.9 16.0 103 106 A L E -de 32 127A 0 23,-1.7 25,-2.9 -2,-0.3 2,-0.4 -0.991 17.0-178.6-145.0 132.1 3.9 -5.0 19.6 104 107 A A E -de 33 128A 0 -72,-2.7 -70,-2.6 -2,-0.4 2,-0.3 -0.998 14.3-179.2-130.1 133.4 1.5 -6.6 22.0 105 108 A G E -de 34 129A 0 23,-2.4 25,-2.4 -2,-0.4 2,-0.4 -0.933 14.5-158.6-128.8 153.1 2.2 -7.2 25.6 106 109 A H E > - e 0 130A 0 -72,-2.3 3,-1.6 -2,-0.3 4,-0.3 -0.986 63.7 -33.1-129.6 136.3 0.4 -8.8 28.7 107 110 A N T >> S+ 0 0 8 23,-1.6 4,-1.3 -2,-0.4 3,-1.0 -0.240 137.6 3.3 55.7-131.3 1.2 -8.1 32.4 108 111 A R H 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.861 135.4 56.9 -53.9 -40.0 5.0 -7.4 32.8 109 112 A G H <> S+ 0 0 0 -3,-1.6 4,-1.6 -74,-0.3 -1,-0.2 0.840 103.8 52.4 -61.1 -34.0 5.3 -7.7 29.0 110 113 A A H <> S+ 0 0 0 -3,-1.0 4,-2.1 -4,-0.3 -1,-0.2 0.762 106.8 52.9 -70.3 -31.6 2.8 -5.0 28.6 111 114 A R H X S+ 0 0 16 -4,-1.3 4,-2.2 2,-0.2 5,-0.2 0.920 108.4 49.4 -71.5 -43.4 4.8 -2.8 30.9 112 115 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 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-3,-0.1 -3,-0.1 -0.970 50.5-155.9-140.2 155.7 -2.8 -3.5 32.7 133 136 A L - 0 0 16 -2,-0.3 5,-0.1 1,-0.1 124,-0.0 -0.820 54.6 -75.1-108.9 164.8 -2.7 0.1 33.8 134 137 A P > - 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-0.4 -0.274 42.2-116.0 -56.6 146.2 0.7 2.0 34.0 135 138 A T H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.898 116.9 57.1 -50.5 -45.4 2.8 1.0 37.0 136 139 A Y H > S+ 0 0 31 87,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.925 106.7 48.8 -53.7 -40.5 2.5 4.7 38.2 137 140 A E H > S+ 0 0 13 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.892 106.8 54.8 -70.5 -36.9 -1.3 4.3 38.2 138 141 A Y H < S+ 0 0 29 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.944 114.5 41.1 -58.1 -42.6 -1.2 1.0 40.1 139 142 A W H >< S+ 0 0 3 -4,-2.1 3,-1.7 1,-0.2 302,-0.3 0.890 111.1 55.6 -75.7 -40.7 0.8 2.6 42.9 140 143 A Q H 3< S+ 0 0 105 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.831 105.5 52.0 -61.2 -33.8 -1.1 5.9 42.9 141 144 A R T 3< S+ 0 0 61 -4,-1.8 -1,-0.3 -5,-0.2 5,-0.2 0.418 82.0 134.4 -76.7 -2.6 -4.4 4.2 43.5 142 145 A M < + 0 0 13 -3,-1.7 2,-0.3 -4,-0.2 299,-0.2 -0.251 19.3 132.0 -63.7 132.6 -3.0 2.2 46.4 143 146 A N S > S- 0 0 73 297,-0.1 4,-3.2 298,-0.1 5,-0.3 -0.893 71.4 -72.6-158.8-177.1 -5.3 2.1 49.5 144 147 A R H > S+ 0 0 47 292,-0.4 4,-2.0 -2,-0.3 5,-0.2 0.896 128.6 49.3 -57.3 -44.5 -6.5 -0.6 51.9 145 148 A A H > S+ 0 0 61 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.932 117.0 40.6 -67.8 -43.0 -8.9 -2.2 49.4 146 149 A Y H > S+ 0 0 99 -5,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.890 111.5 57.4 -67.6 -42.8 -6.3 -2.4 46.6 147 150 A A H < S+ 0 0 4 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.860 114.5 39.5 -54.4 -40.0 -3.5 -3.4 49.1 148 151 A L H < S+ 0 0 11 -4,-2.0 3,-0.4 -5,-0.3 -1,-0.2 0.823 113.7 52.2 -79.9 -31.5 -5.7 -6.4 50.0 149 152 A K H < S+ 0 0 155 -4,-1.8 2,-0.4 1,-0.3 -2,-0.2 0.906 126.6 19.4 -73.5 -42.4 -7.1 -7.3 46.6 150 153 A I S < S+ 0 0 19 -4,-2.6 3,-0.3 -5,-0.1 -1,-0.3 -0.813 71.6 156.8-133.3 94.3 -3.7 -7.5 44.9 151 154 A Y > + 0 0 12 -2,-0.4 4,-1.7 -3,-0.4 3,-0.5 0.587 52.1 84.7 -91.4 -18.0 -0.9 -7.9 47.6 152 155 A H H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.737 77.5 66.4 -73.5 -19.5 1.8 -9.5 45.5 153 156 A W H > S+ 0 0 8 -3,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.950 111.7 35.8 -63.4 -45.0 3.3 -6.2 44.2 154 157 A S H 4 S+ 0 0 7 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.2 0.808 117.6 52.8 -76.5 -32.9 4.4 -5.3 47.7 155 158 A F H >< S+ 0 0 1 -4,-1.7 3,-1.6 2,-0.2 -2,-0.2 0.952 110.9 42.9 -66.7 -54.4 5.2 -8.8 48.8 156 159 A L H 3< S+ 0 0 2 -4,-2.5 61,-0.3 1,-0.3 -1,-0.2 0.719 108.9 62.7 -68.7 -20.2 7.6 -9.7 46.0 157 160 A A T 3< S+ 0 0 3 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.513 75.8 114.0 -83.1 -4.4 9.2 -6.3 46.2 158 161 A Q S < S- 0 0 23 -3,-1.6 59,-0.1 -4,-0.2 288,-0.0 -0.334 84.6 -80.7 -60.2 147.9 10.4 -6.9 49.8 159 162 A P S > S- 0 0 92 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.204 70.0 -67.7 -56.0 135.1 14.2 -7.0 50.1 160 163 A A T 3 S+ 0 0 54 1,-0.3 -4,-0.0 2,-0.2 -3,-0.0 -0.320 112.4 27.1 -54.5 146.5 15.9 -10.3 49.1 161 164 A P T 3> S+ 0 0 67 0, 0.0 4,-3.0 0, 0.0 -1,-0.3 -0.878 100.0 83.3-101.3 28.4 15.9 -12.9 50.3 162 165 A L H <> S+ 0 0 19 -3,-1.8 4,-2.1 2,-0.2 5,-0.2 0.938 101.3 33.0 -60.2 -54.4 12.5 -12.7 52.0 163 166 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.923 118.1 55.0 -71.7 -36.3 10.2 -13.6 49.2 164 167 A E H > S+ 0 0 27 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.894 109.7 47.8 -61.1 -41.3 12.7 -16.0 47.7 165 168 A N H < S+ 0 0 59 -4,-3.0 3,-0.5 1,-0.2 4,-0.4 0.909 112.5 48.4 -68.2 -35.4 12.9 -17.8 51.0 166 169 A L H >< S+ 0 0 8 -4,-2.1 3,-0.6 -5,-0.3 4,-0.3 0.881 111.6 49.0 -68.0 -36.8 9.1 -18.0 51.3 167 170 A L H 3< S+ 0 0 3 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.611 96.1 74.5 -78.1 -17.1 8.6 -19.2 47.8 168 171 A G T 3< S+ 0 0 39 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.629 83.0 65.4 -74.6 -22.2 11.2 -22.0 48.1 169 172 A G S < S- 0 0 49 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.1 0.887 126.2 -3.0 -65.6 -43.5 9.2 -24.5 50.3 170 173 A D >> + 0 0 67 -4,-0.3 4,-1.5 -3,-0.3 3,-0.6 -0.482 69.7 166.4-152.8 66.8 6.4 -25.3 47.8 171 174 A P H 3> S+ 0 0 23 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.880 74.4 60.6 -58.3 -40.1 6.8 -23.3 44.6 172 175 A D H 3> S+ 0 0 53 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.887 103.0 52.0 -53.1 -43.4 4.3 -25.4 42.7 173 176 A F H <> S+ 0 0 88 -3,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.937 110.6 47.8 -65.0 -41.1 1.5 -24.5 45.1 174 177 A Y H X S+ 0 0 6 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.925 113.5 45.2 -64.5 -52.0 2.2 -20.7 44.8 175 178 A V H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.945 115.5 47.2 -60.7 -43.0 2.4 -20.6 40.9 176 179 A K H X S+ 0 0 80 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.850 110.3 51.5 -69.9 -33.9 -0.7 -22.7 40.5 177 180 A A H X S+ 0 0 33 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.913 111.2 48.8 -69.5 -39.3 -2.7 -20.7 43.0 178 181 A K H X S+ 0 0 7 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.943 110.4 50.4 -61.6 -48.0 -1.8 -17.4 41.3 179 182 A L H < S+ 0 0 0 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.928 116.5 40.9 -54.9 -51.2 -2.7 -18.8 37.8 180 183 A A H >< S+ 0 0 13 -4,-2.1 3,-1.6 1,-0.2 6,-0.5 0.927 110.2 58.5 -66.4 -45.1 -6.1 -20.0 39.1 181 184 A S H 3< S+ 0 0 80 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.802 104.3 49.3 -56.5 -38.1 -6.8 -16.9 41.2 182 185 A W T 3< S+ 0 0 22 -4,-1.7 94,-2.9 -5,-0.2 -1,-0.3 0.492 92.6 94.6 -88.2 -1.3 -6.6 -14.4 38.4 183 186 A T S < S- 0 0 10 -3,-1.6 91,-0.1 -4,-0.4 5,-0.0 -0.386 88.5-108.7 -79.5 164.4 -8.9 -16.3 36.0 184 187 A R S S+ 0 0 133 1,-0.2 -1,-0.1 -2,-0.1 90,-0.1 0.939 119.3 37.5 -54.1 -47.3 -12.7 -15.6 35.6 185 188 A A S S- 0 0 68 2,-0.1 -1,-0.2 1,-0.0 3,-0.1 0.658 103.6-124.6 -84.2 -19.7 -13.5 -19.0 37.3 186 189 A G S S+ 0 0 44 -6,-0.5 2,-0.2 1,-0.3 -5,-0.2 0.699 79.6 89.0 78.2 16.7 -10.8 -19.1 40.0 187 190 A D S S- 0 0 71 -7,-0.3 3,-0.4 -8,-0.1 -1,-0.3 -0.693 90.0-102.7-131.0-176.7 -9.5 -22.5 38.8 188 191 A L S > S+ 0 0 62 -2,-0.2 3,-1.6 1,-0.2 8,-0.1 0.240 85.3 109.1 -95.4 13.5 -7.0 -23.8 36.2 189 192 A S T 3 + 0 0 96 1,-0.3 -1,-0.2 -9,-0.1 -9,-0.0 0.793 69.8 60.8 -68.7 -22.3 -9.7 -24.8 33.6 190 193 A A T 3 S+ 0 0 24 -3,-0.4 2,-0.3 -10,-0.1 -1,-0.3 0.636 93.4 77.9 -69.3 -22.6 -8.8 -22.0 31.3 191 194 A F S < S- 0 0 11 -3,-1.6 -148,-0.0 90,-0.0 89,-0.0 -0.776 82.6-118.7 -99.5 139.0 -5.2 -23.2 30.7 192 195 A D >> - 0 0 37 -2,-0.3 4,-2.1 1,-0.1 3,-0.8 -0.578 30.3-130.3 -58.6 128.8 -3.9 -26.0 28.5 193 196 A P H 3> S+ 0 0 102 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.814 107.9 57.8 -59.2 -26.5 -2.3 -28.4 31.0 194 197 A R H 3> S+ 0 0 125 2,-0.2 4,-1.4 1,-0.2 -192,-0.2 0.840 105.9 50.3 -70.8 -29.0 0.9 -28.5 28.9 195 198 A A H <> S+ 0 0 0 -3,-0.8 4,-2.2 2,-0.2 5,-0.2 0.922 106.6 54.3 -70.2 -41.2 1.1 -24.7 29.2 196 199 A V H X S+ 0 0 13 -4,-2.1 4,-3.1 1,-0.2 -2,-0.2 0.917 105.0 54.8 -58.1 -40.2 0.7 -25.0 33.0 197 200 A E H X S+ 0 0 72 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.893 104.1 53.5 -63.7 -39.1 3.7 -27.4 33.0 198 201 A H H X S+ 0 0 12 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.930 113.3 44.5 -51.7 -50.7 5.8 -24.8 31.1 199 202 A Y H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.896 113.4 49.5 -65.8 -42.4 4.9 -22.2 33.8 200 203 A R H X S+ 0 0 46 -4,-3.1 4,-1.2 -5,-0.2 -1,-0.2 0.928 110.0 50.0 -64.6 -41.3 5.5 -24.6 36.7 201 204 A I H < S+ 0 0 71 -4,-2.7 4,-0.4 2,-0.2 3,-0.2 0.907 111.7 48.9 -65.0 -41.8 8.9 -25.8 35.4 202 205 A A H >< S+ 0 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