==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-SEP-12 4BAZ . COMPND 2 MOLECULE: PROBABLE EPOXIDE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA PAO1; . AUTHOR J.W.SCHMIDBERGER,R.SCHNELL,G.SCHNEIDER . 296 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12629.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 5.4 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 . 1 0.3 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 . 16 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 36.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 2 2 3 1 0 0 0 1 3 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 1 2 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 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 T 0 0 174 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.7 11.4 60.5 11.8 2 4 A D - 0 0 138 1,-0.1 2,-0.0 4,-0.0 3,-0.0 -0.466 360.0-107.2 -76.8 149.3 11.1 58.9 15.2 3 5 A P - 0 0 95 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.353 38.4 -94.6 -69.7 166.4 14.3 58.1 17.2 4 6 A L S S- 0 0 48 1,-0.2 42,-0.1 -2,-0.0 41,-0.0 -0.653 93.3 -18.3 -85.2 126.3 15.5 54.6 17.7 5 7 A L S > S- 0 0 7 -2,-0.5 3,-1.9 40,-0.3 -1,-0.2 0.903 79.6-151.5 47.5 59.3 14.4 52.9 20.9 6 8 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.308 74.8 8.7 -61.6 133.7 13.4 55.9 22.9 7 9 A G T 3 S+ 0 0 64 1,-0.2 2,-0.4 18,-0.0 19,-0.2 0.483 89.0 142.1 78.3 2.6 13.7 55.5 26.6 8 10 A F < - 0 0 19 -3,-1.9 2,-0.6 17,-0.1 -1,-0.2 -0.660 46.2-138.3 -78.8 132.8 15.6 52.2 26.4 9 11 A D E -A 24 0A 101 15,-2.9 15,-2.1 -2,-0.4 2,-0.4 -0.826 15.1-141.1 -94.5 118.0 18.3 51.8 29.0 10 12 A Y E +A 23 0A 95 -2,-0.6 2,-0.3 13,-0.2 13,-0.2 -0.709 27.5 175.1 -87.6 125.8 21.5 50.2 27.6 11 13 A L E -A 22 0A 44 11,-3.2 11,-2.4 -2,-0.4 2,-0.5 -0.873 29.1-144.9-126.9 154.9 23.2 47.7 29.8 12 14 A T E -A 21 0A 55 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.989 23.1-158.7-119.1 116.9 26.2 45.3 29.6 13 15 A L E -A 20 0A 18 7,-2.8 7,-2.9 -2,-0.5 2,-0.6 -0.796 5.8-148.0 -98.3 140.1 25.5 42.1 31.7 14 16 A H E +A 19 0A 126 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.930 26.7 171.7-110.0 112.1 28.4 39.9 32.9 15 17 A T - 0 0 13 3,-2.8 3,-0.1 -2,-0.6 70,-0.1 -0.584 49.9 -86.6-114.9-178.5 27.4 36.3 33.1 16 18 A S S S+ 0 0 92 1,-0.2 3,-0.1 -2,-0.2 69,-0.0 0.836 123.7 11.8 -56.1 -35.3 29.3 33.1 33.7 17 19 A A S S+ 0 0 34 64,-0.1 54,-2.4 1,-0.1 55,-0.5 0.349 124.2 35.8-127.9 -0.9 30.2 32.6 30.0 18 20 A A E - B 0 70A 0 52,-0.3 -3,-2.8 53,-0.1 2,-0.5 -0.976 57.6-130.9-155.2 160.9 29.5 35.9 28.3 19 21 A R E -AB 14 69A 85 50,-2.7 50,-2.7 -2,-0.3 2,-0.4 -0.996 41.8-161.2-117.2 113.5 29.3 39.7 28.2 20 22 A L E -A 13 0A 2 -7,-2.9 -7,-2.8 -2,-0.5 2,-0.5 -0.884 18.8-138.8-112.7 131.2 25.9 40.6 26.9 21 23 A R E +A 12 0A 40 -2,-0.4 40,-2.5 40,-0.3 2,-0.3 -0.786 33.5 173.4 -83.9 125.1 24.5 43.8 25.4 22 24 A V E -AC 11 60A 0 -11,-2.4 -11,-3.2 -2,-0.5 2,-0.4 -0.954 19.6-165.1-132.2 145.4 21.0 44.3 26.7 23 25 A A E -AC 10 59A 0 36,-2.5 36,-2.9 -2,-0.3 2,-0.3 -0.996 16.7-172.4-133.9 132.5 18.5 47.2 26.3 24 26 A V E +AC 9 58A 30 -15,-2.1 -15,-2.9 -2,-0.4 2,-0.3 -0.913 13.4 157.8-130.7 148.6 15.5 47.5 28.6 25 27 A K E + C 0 57A 76 32,-2.1 32,-3.3 -2,-0.3 2,-0.2 -0.954 35.4 30.0-160.0 148.1 12.3 49.6 29.0 26 28 A G E - C 0 56A 45 -2,-0.3 2,-0.3 30,-0.2 30,-0.3 -0.493 58.4 -95.6 112.5-169.9 8.9 49.4 30.6 27 29 A S + 0 0 95 28,-0.8 -2,-0.0 25,-0.5 0, 0.0 -0.979 69.2 45.4-156.2 145.6 6.8 48.0 33.4 28 30 A G S S+ 0 0 36 -2,-0.3 27,-0.2 27,-0.2 28,-0.1 -0.711 96.2 3.3 112.0-165.2 4.6 44.9 33.7 29 31 A P S S- 0 0 52 0, 0.0 27,-2.0 0, 0.0 2,-0.3 -0.260 83.3-106.6 -58.9 144.6 5.0 41.3 32.7 30 32 A P E -d 56 0A 19 0, 0.0 69,-2.5 0, 0.0 2,-0.4 -0.531 33.4-175.4 -83.9 137.8 8.4 40.6 31.2 31 33 A L E -de 57 99A 0 25,-2.8 27,-2.7 -2,-0.3 2,-0.5 -0.991 10.1-157.5-124.3 133.9 9.0 39.9 27.5 32 34 A L E -de 58 100A 0 67,-2.5 69,-2.9 -2,-0.4 2,-0.5 -0.956 10.0-159.5-111.6 123.3 12.4 38.9 26.1 33 35 A L E -de 59 101A 0 25,-2.8 27,-1.2 -2,-0.5 2,-0.5 -0.924 5.0-166.0-110.8 125.4 12.9 39.7 22.3 34 36 A L E -de 60 102A 0 67,-2.5 69,-2.4 -2,-0.5 72,-0.2 -0.957 6.2-152.2-121.4 112.8 15.6 37.8 20.4 35 37 A H - 0 0 0 25,-0.7 71,-0.2 -2,-0.5 2,-0.1 -0.095 11.3-141.3 -70.0 177.9 16.8 38.9 17.0 36 38 A G > - 0 0 0 4,-0.2 3,-2.0 69,-0.2 68,-0.1 -0.396 38.0 -8.8-125.4-157.6 18.2 36.8 14.2 37 39 A Y T 3 S- 0 0 2 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.640 116.4 -0.4 -93.5 142.8 20.8 36.7 11.5 38 40 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 160,-0.2 -0.432 118.2 77.4-100.4 58.4 22.7 38.8 10.4 39 41 A Q < - 0 0 1 -3,-2.0 27,-0.3 158,-0.1 2,-0.2 -0.185 59.4-132.7-118.3-163.4 21.3 41.4 12.8 40 42 A T > - 0 0 2 25,-0.1 3,-2.2 -3,-0.1 -4,-0.2 -0.822 51.5 -72.1-143.6-177.1 21.2 42.8 16.3 41 43 A H G > S+ 0 0 3 1,-0.3 3,-1.9 -2,-0.2 20,-0.1 0.717 117.6 78.9 -58.7 -20.6 18.6 43.8 18.9 42 44 A L G > S+ 0 0 13 1,-0.3 3,-2.2 2,-0.2 -1,-0.3 0.692 70.5 81.7 -64.2 -16.7 18.0 46.9 16.8 43 45 A A G < S+ 0 0 0 -3,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.729 87.1 58.7 -57.0 -22.3 15.9 44.8 14.5 44 46 A W G X> S+ 0 0 0 -3,-1.9 4,-2.9 1,-0.2 3,-2.0 0.315 70.2 112.1 -87.2 7.8 13.1 45.2 17.1 45 47 A H T <4 S+ 0 0 19 -3,-2.2 -40,-0.3 1,-0.3 -1,-0.2 0.733 77.8 47.1 -61.6 -25.4 13.1 49.1 16.8 46 48 A R T 34 S+ 0 0 86 -3,-0.4 -1,-0.3 228,-0.2 -2,-0.1 0.496 123.8 32.0 -89.0 -5.6 9.6 49.3 15.2 47 49 A I T <> S+ 0 0 0 -3,-2.0 4,-1.8 2,-0.1 3,-0.2 0.727 104.0 66.1-116.9 -44.5 8.0 46.8 17.7 48 50 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 5,-0.1 0.854 95.9 56.3 -59.4 -42.1 9.7 47.2 21.1 49 51 A P H > S+ 0 0 34 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.946 108.7 47.3 -59.5 -42.4 8.6 50.7 22.0 50 52 A R H >4 S+ 0 0 84 1,-0.2 3,-1.3 -3,-0.2 4,-0.3 0.919 111.7 51.0 -62.4 -43.4 4.9 49.8 21.6 51 53 A L H >X S+ 0 0 0 -4,-1.8 3,-1.9 1,-0.3 4,-1.7 0.874 101.1 62.5 -60.3 -38.9 5.3 46.7 23.7 52 54 A A H 3< S+ 0 0 6 -4,-2.2 -25,-0.5 1,-0.3 -1,-0.3 0.613 87.7 72.7 -66.4 -10.6 7.1 48.7 26.4 53 55 A E T << S+ 0 0 131 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.727 118.9 14.8 -68.9 -21.8 3.9 50.8 26.9 54 56 A D T <4 S+ 0 0 83 -3,-1.9 2,-0.3 -4,-0.3 -2,-0.2 0.488 126.5 40.2-130.0 -10.9 2.3 47.7 28.5 55 57 A Y S < S- 0 0 25 -4,-1.7 -28,-0.8 -27,-0.2 2,-0.6 -0.881 81.0 -99.6-137.1 164.5 5.1 45.3 29.4 56 58 A S E -Cd 26 30A 17 -27,-2.0 -25,-2.8 -30,-0.3 2,-0.5 -0.833 47.5-158.3 -83.2 116.9 8.6 45.0 30.7 57 59 A V E -Cd 25 31A 1 -32,-3.3 -32,-2.1 -2,-0.6 2,-0.5 -0.897 15.1-174.3-111.6 128.7 10.7 44.7 27.5 58 60 A V E -Cd 24 32A 2 -27,-2.7 -25,-2.8 -2,-0.5 2,-0.4 -0.985 3.0-171.8-120.4 122.7 14.2 43.2 27.4 59 61 A L E -Cd 23 33A 0 -36,-2.9 -36,-2.5 -2,-0.5 2,-0.4 -0.900 10.9-179.3-110.5 136.2 16.2 43.3 24.1 60 62 A A E -Cd 22 34A 2 -27,-1.2 -25,-0.7 -2,-0.4 2,-0.5 -0.998 30.3-126.3-135.5 149.2 19.5 41.4 23.8 61 63 A D - 0 0 2 -40,-2.5 -40,-0.3 -2,-0.4 3,-0.1 -0.784 42.5-114.2 -83.3 130.9 22.2 40.8 21.3 62 64 A L > - 0 0 0 -2,-0.5 3,-2.5 1,-0.2 6,-0.3 -0.302 48.4 -74.7 -60.3 150.2 22.7 37.0 21.0 63 65 A R T 3 S+ 0 0 14 1,-0.3 6,-0.2 6,-0.1 -1,-0.2 -0.230 122.5 8.9 -50.1 120.9 26.0 35.6 22.1 64 66 A G T 3 S+ 0 0 5 4,-0.6 142,-0.3 1,-0.4 -1,-0.3 0.123 110.0 100.5 92.9 -22.5 28.6 36.6 19.5 65 67 A Y S X S- 0 0 1 -3,-2.5 3,-2.3 141,-0.1 -1,-0.4 -0.625 89.5 -18.1 -89.2 157.3 26.2 38.9 17.5 66 68 A G T 3 S- 0 0 12 -27,-0.3 -26,-0.1 1,-0.3 137,-0.1 -0.280 131.0 -22.7 55.6-124.5 26.2 42.6 17.8 67 69 A E T 3 S+ 0 0 84 -46,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.342 110.0 106.6-102.2 3.8 28.0 43.7 20.9 68 70 A S < - 0 0 0 -3,-2.3 -4,-0.6 -6,-0.3 2,-0.4 -0.687 48.6-175.9 -86.5 139.3 27.6 40.4 22.9 69 71 A R E -B 19 0A 134 -50,-2.7 -50,-2.7 -2,-0.3 2,-0.2 -0.988 28.0-120.8-137.6 142.3 30.7 38.3 23.2 70 72 A A E -B 18 0A 11 -2,-0.4 -52,-0.3 -52,-0.2 5,-0.1 -0.517 21.1-136.1 -67.3 143.5 31.6 35.0 24.6 71 73 A L 0 0 104 -54,-2.4 -53,-0.1 -2,-0.2 -1,-0.1 0.816 360.0 360.0 -71.7 -28.2 34.3 35.2 27.4 72 74 A D 0 0 140 -55,-0.5 -1,-0.1 4,-0.1 -54,-0.1 0.184 360.0 360.0 68.4 360.0 36.1 32.2 25.7 73 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 74 77 A G 0 0 116 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 37.9 36.4 27.7 21.7 75 78 A A - 0 0 18 1,-0.1 2,-0.6 -5,-0.1 -5,-0.0 -0.202 360.0-108.6 -61.8 155.7 33.2 29.1 23.2 76 79 A D + 0 0 73 1,-0.1 -1,-0.1 -59,-0.1 -4,-0.1 -0.786 34.9 174.3 -85.9 118.7 29.9 27.2 22.9 77 80 A Y + 0 0 22 -2,-0.6 136,-0.1 132,-0.1 -1,-0.1 0.061 33.3 131.7-112.4 21.8 27.5 28.8 20.5 78 81 A S S > S- 0 0 9 1,-0.1 4,-2.3 135,-0.1 3,-0.3 -0.333 71.8-113.6 -64.3 156.3 24.8 26.1 20.6 79 82 A K H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.845 118.6 58.6 -58.3 -37.7 21.2 27.2 21.1 80 83 A A H > S+ 0 0 20 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.888 107.1 46.4 -59.7 -42.7 21.3 25.5 24.5 81 84 A A H > S+ 0 0 1 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.922 113.6 47.4 -65.1 -45.9 24.2 27.8 25.6 82 85 A L H X S+ 0 0 5 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.831 108.1 57.1 -67.5 -29.7 22.5 30.9 24.3 83 86 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.909 104.8 51.3 -62.8 -44.1 19.3 29.7 26.1 84 87 A R H X S+ 0 0 107 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.891 105.0 57.5 -60.5 -38.7 21.3 29.7 29.4 85 88 A D H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.893 106.3 49.6 -55.5 -40.0 22.4 33.2 28.6 86 89 A Q H X S+ 0 0 2 -4,-1.5 4,-2.7 2,-0.2 5,-0.3 0.900 108.5 50.8 -69.4 -41.8 18.8 34.2 28.5 87 90 A L H X S+ 0 0 45 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.934 114.7 44.9 -57.6 -45.9 18.0 32.6 31.8 88 91 A E H X S+ 0 0 62 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.899 113.0 51.2 -67.9 -41.2 20.9 34.4 33.4 89 92 A T H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.957 114.3 41.4 -57.8 -56.9 20.0 37.7 31.7 90 93 A M H X>S+ 0 0 0 -4,-2.7 5,-2.9 1,-0.2 4,-0.6 0.911 114.2 53.5 -63.1 -39.8 16.4 37.7 32.8 91 94 A G H ><5S+ 0 0 22 -4,-2.4 3,-1.2 -5,-0.3 -1,-0.2 0.917 106.7 51.3 -61.2 -44.7 17.4 36.4 36.3 92 95 A Q H 3<5S+ 0 0 101 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.869 109.7 51.0 -59.3 -33.1 19.8 39.3 36.7 93 96 A L H 3<5S- 0 0 51 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.517 129.4 -96.6 -83.5 -6.4 17.1 41.8 35.8 94 97 A G T <<5S+ 0 0 60 -3,-1.2 2,-0.5 -4,-0.6 -3,-0.2 0.551 84.8 120.0 105.9 11.3 14.7 40.2 38.3 95 98 A F < + 0 0 50 -5,-2.9 -1,-0.2 -6,-0.1 -2,-0.2 -0.944 26.2 168.5-118.1 118.0 12.7 37.8 36.2 96 99 A E S S+ 0 0 155 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.571 80.8 34.5 -92.5 -15.5 12.5 34.0 36.8 97 100 A R S S+ 0 0 97 -7,-0.1 2,-0.3 199,-0.1 -1,-0.2 -0.991 75.0 148.5-143.3 132.5 9.6 33.5 34.4 98 101 A F E - f 0 121A 2 22,-2.6 24,-2.3 -2,-0.3 25,-0.6 -0.973 44.4 -99.8-163.1 159.2 8.9 35.5 31.2 99 102 A A E -ef 31 123A 2 -69,-2.5 -67,-2.5 -2,-0.3 2,-0.4 -0.674 33.2-148.7 -84.4 150.2 7.5 35.4 27.6 100 103 A V E -ef 32 124A 0 23,-2.3 25,-2.6 -2,-0.3 2,-0.5 -0.986 13.4-175.2-126.4 129.2 10.0 35.0 24.7 101 104 A I E +ef 33 125A 0 -69,-2.9 -67,-2.5 -2,-0.4 2,-0.3 -0.990 17.2 178.4-124.1 116.7 9.5 36.5 21.2 102 105 A G E -ef 34 126A 0 23,-2.8 25,-2.6 -2,-0.5 2,-0.4 -0.918 19.9-160.4-125.4 151.0 12.1 35.4 18.7 103 106 A H E > - f 0 127A 0 -69,-2.4 3,-1.9 -2,-0.3 25,-0.2 -0.996 64.0 -37.3-124.1 131.0 12.8 36.0 15.0 104 107 A D T >> S+ 0 0 13 23,-1.7 3,-1.4 -2,-0.4 4,-1.2 -0.269 136.6 6.1 60.9-132.8 15.0 33.8 12.9 105 108 A R H 3> S+ 0 0 2 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.832 131.3 59.8 -55.9 -33.9 18.0 32.5 15.0 106 109 A G H <> S+ 0 0 0 -3,-1.9 4,-2.3 -71,-0.2 -1,-0.3 0.818 100.0 54.2 -62.3 -33.6 16.5 34.1 18.1 107 110 A A H <> S+ 0 0 0 -3,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.801 105.9 54.4 -65.9 -31.0 13.4 32.0 17.8 108 111 A R H X S+ 0 0 13 -4,-1.2 4,-1.6 -3,-0.3 -2,-0.2 0.896 109.4 46.1 -70.3 -42.5 15.7 29.0 17.7 109 112 A V H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.930 112.9 54.2 -56.8 -47.1 17.3 30.1 21.0 110 113 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.891 108.4 43.1 -60.1 -48.2 13.8 30.7 22.3 111 114 A Y H X S+ 0 0 4 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.862 113.3 52.7 -72.2 -31.6 12.2 27.3 21.6 112 115 A R H X S+ 0 0 6 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.917 109.3 50.7 -66.4 -39.7 15.3 25.6 22.9 113 116 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.923 110.4 49.9 -57.2 -47.3 15.0 27.7 26.1 114 117 A A H < S+ 0 0 2 -4,-2.2 119,-0.3 1,-0.2 -1,-0.2 0.861 114.3 43.6 -62.7 -38.6 11.3 26.7 26.4 115 118 A L H < S+ 0 0 12 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.893 120.6 39.7 -72.7 -41.4 12.2 23.0 26.0 116 119 A D H < S+ 0 0 60 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.814 131.4 25.0 -76.7 -33.9 15.2 23.0 28.4 117 120 A H >X + 0 0 38 -4,-2.8 3,-2.0 -5,-0.3 4,-0.6 -0.548 65.7 162.9-132.4 62.7 13.7 25.3 31.0 118 121 A P G >4 S+ 0 0 53 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.770 73.9 64.1 -60.2 -26.9 9.9 25.1 30.8 119 122 A Q G 34 S+ 0 0 126 1,-0.2 -5,-0.1 -3,-0.1 -23,-0.0 0.750 103.3 50.2 -65.3 -21.7 9.5 26.6 34.2 120 123 A A G <4 S+ 0 0 2 -3,-2.0 -22,-2.6 -7,-0.2 2,-0.7 0.605 94.9 75.8 -91.6 -17.2 11.0 29.9 32.9 121 124 A V E << +f 98 0A 5 -3,-0.7 -22,-0.2 -4,-0.6 3,-0.1 -0.876 46.2 176.9-112.8 109.4 9.0 30.4 29.7 122 125 A A E 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3 - 0 0 22 -2,-0.7 4,-2.7 1,-0.1 5,-0.2 -0.409 24.1-126.4 -58.1 132.1 16.6 52.1 8.9 188 191 A P H > S+ 0 0 91 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.822 108.0 47.3 -62.0 -28.7 19.9 53.6 7.8 189 192 A Q H > S+ 0 0 123 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.908 110.3 49.8 -79.4 -36.8 21.1 53.9 11.3 190 193 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 3,-0.4 0.905 107.9 58.2 -61.1 -41.6 20.1 50.4 12.3 191 194 A L H X S+ 0 0 29 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.890 100.9 53.9 -54.6 -43.8 22.0 49.3 9.1 192 195 A E H X S+ 0 0 95 -4,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.842 107.7 51.6 -62.9 -32.6 25.2 50.9 10.3 193 196 A S H X S+ 0 0 39 -4,-1.2 4,-2.3 -3,-0.4 -2,-0.2 0.936 110.1 47.2 -68.0 -45.4 25.0 48.9 13.5 194 197 A Y H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.909 114.1 49.5 -59.8 -43.2 24.5 45.6 11.6 195 198 A R H X S+ 0 0 45 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.913 108.4 51.5 -62.6 -47.1 27.4 46.6 9.3 196 199 A R H < S+ 0 0 181 -4,-2.3 4,-0.5 1,-0.2 3,-0.3 0.930 111.3 48.0 -58.3 -47.3 29.7 47.4 12.2 197 200 A A H >< S+ 0 0 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