==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-AUG-03 1UK8 . COMPND 2 MOLECULE: 2-HYDROXY-6-OXO-7-METHYLOCTA-2,4-DIENOATE . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR S.FUSHINOBU,S.-Y.JUN,M.HIDAKA,H.NOJIRI,H.YAMANE,H.SHOUN, . 271 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11589.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 26 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 32.1 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+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 1 1 2 0 0 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A N > 0 0 114 0, 0.0 3,-1.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 108.4 27.2 29.2 -16.5 2 4 A L T 3 + 0 0 124 1,-0.3 37,-0.0 37,-0.0 0, 0.0 0.601 360.0 73.4 -65.8 -11.6 28.2 32.0 -14.1 3 5 A E T 3 S+ 0 0 20 36,-0.1 2,-0.5 2,-0.1 36,-0.3 0.693 84.3 77.6 -76.2 -17.1 24.8 31.5 -12.3 4 6 A I < + 0 0 92 -3,-1.8 3,-0.1 1,-0.1 60,-0.0 -0.815 61.2 150.4 -93.4 127.2 26.2 28.3 -10.9 5 7 A G - 0 0 37 -2,-0.5 13,-0.2 1,-0.4 2,-0.2 0.199 47.9 -20.1-121.5-118.3 28.6 29.0 -8.0 6 8 A K E -A 17 0A 105 11,-3.2 11,-2.3 -2,-0.0 -1,-0.4 -0.533 56.2-135.1 -96.5 166.0 29.5 27.0 -4.9 7 9 A S E +A 16 0A 77 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.967 27.1 160.8-126.8 140.1 27.5 24.2 -3.3 8 10 A I E -A 15 0A 35 7,-1.7 7,-3.2 -2,-0.4 2,-0.6 -0.988 40.8-112.0-155.4 146.5 26.7 23.6 0.4 9 11 A L E +A 14 0A 115 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.716 42.2 172.6 -82.4 122.1 24.2 21.5 2.3 10 12 A A E > -A 13 0A 2 3,-2.6 3,-2.1 -2,-0.6 76,-0.2 -0.981 66.3 -14.2-136.3 123.9 21.8 23.9 4.1 11 13 A A T 3 S- 0 0 56 -2,-0.4 -1,-0.1 74,-0.3 3,-0.1 0.858 128.8 -56.2 54.6 34.9 18.6 22.9 6.0 12 14 A G T 3 S+ 0 0 66 1,-0.2 2,-0.4 73,-0.1 -1,-0.3 0.519 117.7 111.4 77.1 6.0 19.0 19.5 4.3 13 15 A V E < S-A 10 0A 6 -3,-2.1 -3,-2.6 69,-0.1 2,-0.5 -0.946 73.7-121.6-117.3 130.4 19.0 21.0 0.8 14 16 A L E -A 9 0A 76 -2,-0.4 53,-2.8 -5,-0.2 2,-0.4 -0.580 42.9-158.0 -68.2 118.4 22.0 21.1 -1.6 15 17 A T E -A 8 0A 1 -7,-3.2 -7,-1.7 -2,-0.5 2,-0.4 -0.874 18.4-146.1-113.7 132.8 22.3 24.8 -2.1 16 18 A N E +A 7 0A 9 -2,-0.4 43,-2.9 43,-0.3 2,-0.3 -0.757 38.3 153.0 -89.3 134.0 23.9 26.8 -4.9 17 19 A Y E -AB 6 58A 21 -11,-2.3 -11,-3.2 -2,-0.4 2,-0.4 -0.990 40.2-128.2-158.0 165.1 25.4 30.1 -3.7 18 20 A H E - B 0 57A 25 39,-1.8 39,-2.5 -2,-0.3 2,-0.4 -0.923 18.5-175.0-117.8 144.4 28.0 32.8 -4.2 19 21 A D E + B 0 56A 22 -2,-0.4 2,-0.4 37,-0.2 37,-0.2 -0.904 15.4 159.4-143.9 106.4 30.3 33.9 -1.4 20 22 A V E + B 0 55A 67 35,-2.3 35,-3.4 -2,-0.4 2,-0.1 -0.996 38.7 17.8-135.6 136.9 32.6 36.9 -2.1 21 23 A G - 0 0 30 -2,-0.4 2,-0.3 33,-0.3 33,-0.3 -0.300 67.4 -98.6 100.6 173.9 34.5 39.3 0.1 22 24 A E + 0 0 175 28,-0.5 2,-0.3 31,-0.3 -2,-0.0 -0.940 68.9 31.1-135.8 157.4 35.6 39.4 3.8 23 25 A G S S+ 0 0 57 -2,-0.3 30,-0.1 30,-0.2 29,-0.0 -0.788 97.4 27.9 106.0-145.9 34.3 41.0 7.0 24 26 A Q S S- 0 0 69 28,-0.4 30,-2.2 -2,-0.3 2,-0.2 -0.346 84.4-119.5 -57.9 126.4 30.8 41.7 8.1 25 27 A P E -c 54 0A 18 0, 0.0 71,-2.2 0, 0.0 2,-0.4 -0.454 28.6-173.2 -74.9 141.8 28.4 39.3 6.4 26 28 A V E -cd 55 96A 0 28,-2.5 30,-3.1 69,-0.2 2,-0.5 -0.996 10.6-152.9-134.1 124.2 25.6 40.4 4.1 27 29 A I E -cd 56 97A 2 69,-2.8 71,-2.9 -2,-0.4 2,-0.5 -0.885 6.2-157.5-102.3 126.0 23.0 38.0 2.8 28 30 A L E - d 0 98A 0 28,-2.9 2,-0.6 -2,-0.5 71,-0.2 -0.906 5.7-163.5-103.8 125.0 21.4 38.9 -0.6 29 31 A I E - d 0 99A 0 69,-3.2 71,-2.9 -2,-0.5 74,-0.2 -0.937 13.1-141.0-114.7 116.1 18.0 37.3 -1.2 30 32 A H - 0 0 0 -2,-0.6 73,-0.4 28,-0.5 8,-0.1 0.018 16.9-105.0 -67.2 171.9 16.7 37.3 -4.8 31 33 A G - 0 0 5 6,-0.2 70,-0.1 71,-0.2 -1,-0.1 -0.024 28.9-106.7 -85.3-167.2 13.2 37.8 -6.2 32 34 A S + 0 0 12 31,-0.0 3,-0.1 2,-0.0 69,-0.0 -0.106 62.9 129.4-121.6 39.1 10.7 35.3 -7.6 33 35 A G S > S- 0 0 10 1,-0.1 3,-1.7 4,-0.1 2,-0.2 -0.413 70.3 -77.9 -86.1 167.3 10.6 35.8 -11.4 34 36 A P T 3 S+ 0 0 14 0, 0.0 142,-0.2 0, 0.0 -1,-0.1 -0.453 117.7 10.6 -67.1 131.3 10.9 32.9 -13.9 35 37 A G T 3 S+ 0 0 7 1,-0.2 5,-0.1 141,-0.2 142,-0.1 0.497 92.5 157.7 80.6 4.3 14.5 31.9 -14.4 36 38 A V < + 0 0 12 -3,-1.7 28,-1.1 4,-0.1 2,-0.3 -0.214 11.7 168.4 -63.0 150.8 15.7 33.9 -11.4 37 39 A S > - 0 0 0 26,-0.1 4,-1.9 27,-0.1 5,-0.2 -0.952 48.7-105.2-153.7 162.7 18.9 33.1 -9.7 38 40 A A H > S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 5,-0.1 0.922 121.9 48.5 -60.1 -42.8 21.1 34.8 -7.1 39 41 A Y H > S+ 0 0 69 -36,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.931 107.7 53.6 -63.7 -45.9 23.6 35.7 -9.8 40 42 A A H 4 S+ 0 0 13 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.877 117.5 38.2 -56.3 -39.5 21.0 37.1 -12.2 41 43 A N H < S+ 0 0 4 -4,-1.9 3,-0.3 1,-0.1 -2,-0.2 0.890 128.2 30.3 -77.6 -42.5 19.7 39.4 -9.5 42 44 A W H >X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 3,-1.5 0.297 76.4 113.2-107.6 10.5 23.0 40.4 -7.8 43 45 A R T 3< S+ 0 0 98 -4,-2.0 -1,-0.2 1,-0.3 -3,-0.1 0.771 90.5 37.9 -53.9 -30.3 25.7 40.3 -10.5 44 46 A L T 34 S+ 0 0 64 -3,-0.3 4,-0.3 -4,-0.1 -1,-0.3 0.463 117.4 52.0-100.2 -2.9 26.2 44.1 -10.4 45 47 A T T <> S+ 0 0 0 -3,-1.5 4,-2.4 2,-0.1 3,-0.3 0.833 98.6 59.9 -97.8 -44.1 25.7 44.3 -6.6 46 48 A I H X S+ 0 0 13 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.903 100.9 54.2 -53.7 -49.3 28.2 41.7 -5.3 47 49 A P H 4 S+ 0 0 63 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.890 113.2 43.1 -55.2 -41.4 31.3 43.4 -6.9 48 50 A A H >4 S+ 0 0 30 -4,-0.3 3,-0.8 -3,-0.3 -2,-0.2 0.944 120.1 39.4 -70.7 -49.6 30.6 46.7 -5.2 49 51 A L H >X S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.2 4,-1.9 0.841 104.2 66.7 -70.9 -34.8 29.6 45.4 -1.8 50 52 A S T 3< S+ 0 0 17 -4,-3.1 -28,-0.5 -5,-0.3 -1,-0.2 0.575 86.7 72.5 -65.1 -7.9 32.2 42.6 -1.6 51 53 A K T <4 S+ 0 0 141 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.2 0.700 118.7 15.1 -77.9 -18.2 34.9 45.4 -1.5 52 54 A F T <4 S+ 0 0 135 -3,-2.1 -28,-0.4 -4,-0.2 2,-0.3 0.467 129.1 37.9-131.6 -9.6 33.8 46.1 2.1 53 55 A Y S < S- 0 0 17 -4,-1.9 2,-0.8 -30,-0.1 -31,-0.3 -0.910 79.0-105.8-141.1 165.5 31.7 43.1 3.2 54 56 A R E - c 0 25A 65 -30,-2.2 -28,-2.5 -2,-0.3 2,-0.6 -0.875 44.1-156.3 -93.3 113.7 31.5 39.3 2.9 55 57 A V E -Bc 20 26A 2 -35,-3.4 -35,-2.3 -2,-0.8 2,-0.5 -0.839 13.3-172.4-101.9 122.8 28.6 38.9 0.5 56 58 A I E +Bc 19 27A 0 -30,-3.1 -28,-2.9 -2,-0.6 -37,-0.2 -0.958 5.4 177.0-114.9 121.7 26.5 35.7 0.5 57 59 A A E -B 18 0A 0 -39,-2.5 -39,-1.8 -2,-0.5 2,-0.2 -0.876 9.7-177.5-128.6 98.7 24.0 35.2 -2.3 58 60 A P E -B 17 0A 1 0, 0.0 2,-0.7 0, 0.0 -28,-0.5 -0.590 31.6-118.3 -96.5 156.5 22.1 31.9 -2.4 59 61 A D - 0 0 0 -43,-2.9 -43,-0.3 -2,-0.2 3,-0.1 -0.838 39.7-125.3 -89.4 119.7 19.6 30.4 -4.7 60 62 A M > - 0 0 0 -2,-0.7 3,-2.5 1,-0.1 6,-0.3 -0.375 37.3 -85.1 -65.9 144.7 16.5 29.9 -2.6 61 63 A V T 3 S+ 0 0 0 1,-0.3 -1,-0.1 18,-0.1 7,-0.1 -0.247 120.9 29.5 -52.7 129.0 15.1 26.4 -2.6 62 64 A G T 3 S+ 0 0 1 5,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.251 114.0 78.4 101.8 -9.7 12.7 26.0 -5.6 63 65 A F S X S- 0 0 6 -3,-2.5 3,-1.4 4,-0.2 -1,-0.3 -0.861 89.6 -13.1-128.9 162.1 14.7 28.6 -7.6 64 66 A G T 3 S- 0 0 1 -28,-1.1 -27,-0.1 -2,-0.3 -60,-0.1 -0.126 115.1 -30.0 52.1-137.5 17.9 28.8 -9.6 65 67 A F T 3 S+ 0 0 50 -62,-0.3 -1,-0.2 -49,-0.1 2,-0.1 0.221 99.5 115.0-102.3 13.8 20.4 25.9 -9.3 66 68 A T S < S- 0 0 2 -3,-1.4 -51,-0.2 -6,-0.3 -4,-0.2 -0.505 81.7 -84.9 -78.0 152.7 19.6 24.8 -5.7 67 69 A D - 0 0 81 -53,-2.8 -5,-0.5 -2,-0.1 -4,-0.2 -0.271 31.5-145.4 -59.6 144.2 18.1 21.3 -5.4 68 70 A R - 0 0 66 -7,-0.1 3,-0.1 -6,-0.1 -1,-0.1 -0.809 23.0-143.3-112.9 85.1 14.3 21.1 -5.8 69 71 A P > - 0 0 43 0, 0.0 3,-1.8 0, 0.0 2,-0.1 -0.153 24.6-101.1 -50.5 137.0 13.4 18.3 -3.4 70 72 A E T 3 S+ 0 0 179 1,-0.3 0, 0.0 2,-0.0 0, 0.0 -0.411 105.1 1.6 -63.3 130.6 10.7 15.9 -4.5 71 73 A N T 3 S+ 0 0 154 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.746 90.7 173.4 62.8 25.2 7.4 16.8 -2.8 72 74 A Y < - 0 0 56 -3,-1.8 2,-1.0 1,-0.1 -1,-0.2 -0.411 32.1-129.6 -65.8 137.4 9.1 19.7 -1.0 73 75 A N - 0 0 127 -2,-0.1 2,-0.3 5,-0.0 -1,-0.1 -0.772 23.3-156.3 -94.3 98.9 6.6 21.9 0.9 74 76 A Y + 0 0 58 -2,-1.0 2,-0.3 4,-0.1 3,-0.1 -0.565 30.7 137.6 -76.9 131.9 7.3 25.5 -0.1 75 77 A S > - 0 0 39 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.975 65.8 -98.4-164.6 164.8 6.2 28.2 2.3 76 78 A K H > S+ 0 0 51 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.935 125.2 46.7 -55.6 -47.8 7.3 31.4 3.9 77 79 A D H > S+ 0 0 82 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.855 110.2 52.4 -64.7 -36.9 8.5 29.5 7.0 78 80 A S H > S+ 0 0 14 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.897 110.3 48.4 -66.4 -40.3 10.3 26.9 4.9 79 81 A W H X S+ 0 0 10 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.872 109.8 51.6 -68.1 -36.4 12.2 29.6 3.0 80 82 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.925 108.1 53.2 -64.1 -42.2 13.1 31.3 6.3 81 83 A D H X S+ 0 0 65 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.851 107.6 51.7 -60.2 -34.5 14.4 27.9 7.5 82 84 A H H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.930 109.1 49.0 -68.5 -44.6 16.5 27.7 4.3 83 85 A I H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.940 114.5 45.0 -59.4 -47.6 18.0 31.1 4.9 84 86 A I H X S+ 0 0 8 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.868 111.1 54.6 -64.7 -35.5 18.8 30.2 8.5 85 87 A G H X S+ 0 0 10 -4,-2.1 4,-2.5 -5,-0.3 -74,-0.3 0.891 108.2 48.8 -64.6 -39.0 20.1 26.8 7.4 86 88 A I H X S+ 0 0 2 -4,-2.4 4,-1.6 -76,-0.2 -2,-0.2 0.930 112.4 47.9 -65.5 -46.0 22.5 28.6 5.0 87 89 A M H <>S+ 0 0 0 -4,-2.3 5,-3.1 1,-0.2 4,-0.3 0.925 112.9 48.4 -61.8 -44.3 23.7 31.0 7.7 88 90 A D H ><5S+ 0 0 95 -4,-2.9 3,-1.5 1,-0.2 -2,-0.2 0.927 108.8 53.5 -61.6 -45.3 24.2 28.0 10.1 89 91 A A H 3<5S+ 0 0 46 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.814 114.5 41.6 -59.7 -31.0 26.1 26.1 7.5 90 92 A L T 3<5S- 0 0 23 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.297 112.1-116.7 -99.8 8.3 28.5 29.0 7.0 91 93 A E T < 5 + 0 0 130 -3,-1.5 2,-1.0 -4,-0.3 -3,-0.2 0.868 58.5 158.1 58.1 37.3 28.8 29.9 10.7 92 94 A I < + 0 0 7 -5,-3.1 -1,-0.2 1,-0.2 3,-0.1 -0.828 15.2 177.6 -94.1 102.1 27.2 33.2 10.0 93 95 A E + 0 0 124 -2,-1.0 2,-0.3 1,-0.3 -1,-0.2 0.857 67.7 4.7 -76.0 -37.7 25.9 34.2 13.5 94 96 A K S S+ 0 0 102 -7,-0.1 2,-0.3 24,-0.0 -1,-0.3 -0.982 73.6 167.1-149.2 136.7 24.5 37.6 12.6 95 97 A A E - e 0 118A 0 22,-2.2 24,-2.7 -2,-0.3 2,-0.2 -0.965 36.5-111.3-148.0 163.0 24.2 39.3 9.2 96 98 A H E -d 26 0A 2 -71,-2.2 -69,-2.8 -2,-0.3 2,-0.4 -0.622 37.7-148.1 -86.2 155.5 22.7 42.2 7.3 97 99 A I E -de 27 121A 0 23,-2.4 25,-2.5 -2,-0.2 2,-0.6 -0.995 15.0-164.5-134.1 133.0 20.1 41.1 4.8 98 100 A V E -de 28 122A 0 -71,-2.9 -69,-3.2 -2,-0.4 2,-0.5 -0.969 16.8-168.5-113.0 115.1 19.1 42.7 1.5 99 101 A G E -de 29 123A 0 23,-3.1 25,-2.7 -2,-0.6 2,-0.7 -0.928 9.8-155.2-113.4 122.5 15.8 41.3 0.2 100 102 A N E > - e 0 124A 3 -71,-2.9 3,-2.4 -2,-0.5 2,-0.3 -0.839 57.4 -63.8 -98.1 113.1 14.6 41.9 -3.3 101 103 A A T >> S+ 0 0 6 23,-3.3 26,-2.5 -2,-0.7 4,-1.6 -0.302 138.4 22.7 54.3-110.5 10.8 41.7 -3.7 102 104 A F H 3> S+ 0 0 4 -2,-0.3 4,-1.6 1,-0.3 3,-0.5 0.922 129.0 52.8 -47.2 -46.7 10.0 38.0 -2.8 103 105 A G H <> S+ 0 0 0 -3,-2.4 4,-2.1 -73,-0.4 -1,-0.3 0.769 101.2 60.1 -62.6 -27.6 13.3 38.1 -0.9 104 106 A G H <> S+ 0 0 0 -3,-1.2 4,-2.2 20,-0.3 -1,-0.2 0.877 103.6 50.1 -68.1 -38.2 12.2 41.2 1.0 105 107 A G H X S+ 0 0 0 -4,-1.6 4,-2.3 -3,-0.5 -2,-0.2 0.896 111.5 48.9 -65.8 -39.1 9.3 39.3 2.4 106 108 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.873 108.2 54.3 -67.3 -37.1 11.6 36.5 3.5 107 109 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.935 110.0 46.4 -62.1 -47.0 14.0 39.0 5.0 108 110 A I H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.935 113.5 48.9 -60.4 -47.1 11.2 40.5 7.2 109 111 A A H X S+ 0 0 4 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.845 111.1 50.4 -63.1 -34.6 10.0 37.0 8.2 110 112 A T H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.911 108.8 51.3 -70.3 -41.4 13.5 36.0 9.1 111 113 A A H < S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.817 111.5 49.2 -64.6 -30.5 14.0 39.1 11.2 112 114 A L H < S+ 0 0 47 -4,-1.7 3,-0.4 -5,-0.2 -1,-0.2 0.897 119.9 33.9 -76.1 -42.0 10.8 38.3 13.1 113 115 A R H < S+ 0 0 96 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.761 134.0 27.6 -84.4 -27.4 11.5 34.6 13.8 114 116 A Y >X + 0 0 58 -4,-2.8 3,-2.3 -5,-0.2 4,-0.6 -0.427 67.8 158.5-133.3 57.8 15.3 35.0 14.3 115 117 A S G >4 S+ 0 0 51 -3,-0.4 3,-1.0 1,-0.3 -1,-0.1 0.832 74.1 58.7 -51.0 -37.6 15.8 38.6 15.5 116 118 A E G 34 S+ 0 0 120 1,-0.2 -1,-0.3 -3,-0.1 -5,-0.1 0.609 103.5 53.1 -71.8 -9.6 19.1 37.7 17.0 117 119 A R G <4 S+ 0 0 35 -3,-2.3 -22,-2.2 -7,-0.2 2,-0.5 0.545 99.7 71.3-100.3 -9.5 20.5 36.6 13.6 118 120 A V E << +e 95 0A 2 -3,-1.0 -22,-0.2 -4,-0.6 3,-0.1 -0.926 47.7 170.0-116.4 130.1 19.6 39.8 11.7 119 121 A D E - 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