==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-SEP-12 4B9E . COMPND 2 MOLECULE: PROBABLE EPOXIDE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA PAO1; . AUTHOR J.W.SCHMIDBERGER,R.SCHNELL,G.SCHNEIDER . 297 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12626.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 75.1 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 . 15 5.1 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 . 20 6.7 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 . 109 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 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 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 4 A D 0 0 202 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.0 11.4 59.5 15.1 2 5 A P - 0 0 96 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.305 360.0-102.5 -68.4 162.0 14.3 58.3 17.3 3 6 A L S S- 0 0 47 1,-0.2 42,-0.1 45,-0.0 41,-0.0 -0.662 93.2 -15.7 -84.9 127.9 15.5 54.8 17.7 4 7 A L S > S- 0 0 7 -2,-0.5 3,-2.0 40,-0.3 -1,-0.2 0.903 80.7-151.2 45.7 62.4 14.5 53.1 20.9 5 8 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.283 75.1 7.4 -61.4 132.0 13.4 56.2 22.8 6 9 A G T 3 S+ 0 0 65 1,-0.3 2,-0.3 18,-0.0 19,-0.2 0.465 89.1 143.1 76.5 6.2 13.8 55.8 26.6 7 10 A F < - 0 0 18 -3,-2.0 2,-0.6 17,-0.1 -1,-0.3 -0.601 45.3-138.1 -79.3 136.8 15.6 52.4 26.4 8 11 A D E -A 23 0A 102 15,-3.0 15,-2.1 -2,-0.3 2,-0.5 -0.858 14.6-141.3 -99.7 120.6 18.3 52.0 29.0 9 12 A Y E +A 22 0A 88 -2,-0.6 2,-0.3 13,-0.2 13,-0.2 -0.737 27.1 175.2 -89.7 126.8 21.5 50.3 27.6 10 13 A L E -A 21 0A 44 11,-3.0 11,-2.4 -2,-0.5 2,-0.5 -0.867 28.8-144.8-128.5 154.7 23.2 47.8 29.9 11 14 A T E -A 20 0A 44 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.982 23.4-159.4-119.4 113.7 26.1 45.4 29.8 12 15 A L E -A 19 0A 16 7,-2.7 7,-2.7 -2,-0.5 2,-0.7 -0.763 7.8-148.3 -96.9 137.6 25.4 42.3 31.8 13 16 A H E +A 18 0A 119 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.920 26.6 172.9-107.6 110.5 28.2 40.0 33.0 14 17 A T - 0 0 12 3,-2.7 3,-0.2 -2,-0.7 71,-0.1 -0.487 49.8 -85.9-112.4-179.0 27.0 36.4 33.1 15 18 A S S S+ 0 0 92 1,-0.2 3,-0.1 -2,-0.2 70,-0.0 0.822 122.9 11.6 -61.3 -30.9 28.9 33.3 33.8 16 19 A A S S+ 0 0 33 1,-0.1 54,-2.2 65,-0.1 55,-0.5 0.290 124.1 40.9-128.8 3.4 30.0 32.8 30.2 17 20 A A E - B 0 69A 0 52,-0.3 -3,-2.7 -3,-0.2 2,-0.5 -0.987 58.3-134.0-153.9 159.1 29.3 36.0 28.4 18 21 A R E -AB 13 68A 82 50,-2.7 50,-2.8 -2,-0.3 2,-0.4 -0.991 41.3-163.4-115.4 114.1 29.3 39.8 28.4 19 22 A L E -A 12 0A 2 -7,-2.7 -7,-2.7 -2,-0.5 2,-0.5 -0.866 19.8-139.5-115.8 132.2 25.8 40.7 27.0 20 23 A R E +A 11 0A 50 -2,-0.4 40,-2.3 40,-0.2 2,-0.3 -0.782 32.0 173.6 -86.2 124.4 24.4 43.9 25.5 21 24 A V E -AC 10 59A 0 -11,-2.4 -11,-3.0 -2,-0.5 2,-0.4 -0.962 20.1-162.6-130.6 147.6 20.9 44.5 26.7 22 25 A A E -AC 9 58A 0 36,-2.5 36,-2.9 -2,-0.3 2,-0.3 -0.999 18.3-172.8-133.5 132.8 18.5 47.4 26.3 23 26 A V E +AC 8 57A 32 -15,-2.1 -15,-3.0 -2,-0.4 2,-0.3 -0.914 13.5 158.0-131.8 147.9 15.4 47.7 28.6 24 27 A K E + C 0 56A 76 32,-1.9 32,-3.1 -2,-0.3 2,-0.1 -0.944 37.4 29.5-160.1 149.4 12.3 49.8 29.0 25 28 A G - 0 0 42 -2,-0.3 2,-0.3 30,-0.2 30,-0.3 -0.348 59.0-103.0 105.0-178.6 8.9 49.6 30.5 26 29 A S + 0 0 91 28,-0.5 -2,-0.0 25,-0.4 30,-0.0 -0.955 67.5 52.6-146.4 158.7 7.0 48.0 33.4 27 30 A G S S+ 0 0 41 -2,-0.3 27,-0.2 27,-0.2 28,-0.1 -0.669 96.3 3.4 106.7-165.0 4.6 45.1 33.8 28 31 A P S S- 0 0 49 0, 0.0 27,-2.0 0, 0.0 2,-0.3 -0.247 84.0-107.6 -59.1 142.6 5.0 41.5 32.6 29 32 A P E -d 55 0A 17 0, 0.0 70,-2.5 0, 0.0 2,-0.4 -0.532 32.7-175.0 -83.2 140.7 8.3 40.8 31.1 30 33 A L E -de 56 99A 0 25,-3.0 27,-2.7 -2,-0.3 2,-0.5 -0.994 9.9-157.5-127.6 133.6 9.0 40.1 27.4 31 34 A L E -de 57 100A 0 68,-2.5 70,-2.9 -2,-0.4 2,-0.5 -0.956 9.6-160.7-112.1 122.5 12.4 39.1 26.0 32 35 A L E -de 58 101A 0 25,-2.7 27,-1.4 -2,-0.5 2,-0.5 -0.938 4.7-166.3-110.4 125.2 12.9 39.9 22.3 33 36 A L E -de 59 102A 0 68,-2.4 70,-2.5 -2,-0.5 73,-0.2 -0.962 6.7-151.2-122.2 112.7 15.6 38.0 20.4 34 37 A H - 0 0 0 25,-0.7 72,-0.2 -2,-0.5 2,-0.1 -0.097 11.8-140.5 -70.4 176.4 16.9 39.1 16.9 35 38 A G > - 0 0 0 4,-0.2 3,-1.9 70,-0.2 69,-0.1 -0.360 38.9 -8.6-122.5-157.6 18.3 37.0 14.2 36 39 A Y T 3 S- 0 0 2 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.672 116.6 -2.0 -92.5 142.9 20.9 36.9 11.5 37 40 A P T 3 S+ 0 0 3 0, 0.0 -1,-0.3 0, 0.0 161,-0.1 -0.430 117.5 80.1-100.9 58.1 22.9 39.0 10.4 38 41 A Q < - 0 0 1 -3,-1.9 27,-0.3 159,-0.1 2,-0.2 -0.168 59.3-133.4-116.5-166.7 21.4 41.6 12.8 39 42 A T > - 0 0 2 25,-0.1 3,-2.2 -3,-0.1 -4,-0.2 -0.831 51.0 -72.6-140.3-176.3 21.3 43.0 16.3 40 43 A H G > S+ 0 0 3 1,-0.3 3,-1.9 -2,-0.2 20,-0.1 0.718 117.9 78.3 -59.0 -20.8 18.7 44.0 18.9 41 44 A L G > S+ 0 0 13 1,-0.3 3,-2.2 2,-0.2 -1,-0.3 0.693 70.2 82.1 -63.8 -16.3 18.0 47.1 16.8 42 45 A A G < S+ 0 0 0 -3,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.725 86.9 58.9 -58.9 -21.2 16.0 45.0 14.4 43 46 A W G X> + 0 0 0 -3,-1.9 4,-3.0 1,-0.2 3,-2.0 0.304 69.9 111.9 -87.6 9.3 13.2 45.5 17.0 44 47 A H T <4 S+ 0 0 18 -3,-2.2 -40,-0.3 1,-0.3 -1,-0.2 0.712 77.7 47.3 -63.7 -23.0 13.2 49.2 16.8 45 48 A R T 34 S+ 0 0 86 -3,-0.4 -1,-0.3 229,-0.2 -2,-0.1 0.488 123.9 31.5 -88.4 -8.0 9.7 49.4 15.1 46 49 A I T <> S+ 0 0 0 -3,-2.0 4,-1.8 2,-0.1 3,-0.2 0.734 104.1 65.5-115.5 -48.0 8.1 47.0 17.6 47 50 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 5,-0.1 0.841 95.5 57.7 -59.6 -39.5 9.8 47.3 21.0 48 51 A P H > S+ 0 0 36 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.944 108.8 46.5 -59.2 -42.6 8.6 50.9 21.8 49 52 A R H >4 S+ 0 0 85 -3,-0.2 3,-1.3 1,-0.2 4,-0.4 0.927 112.2 50.3 -64.1 -42.8 5.0 50.0 21.5 50 53 A L H >X S+ 0 0 0 -4,-1.8 3,-1.8 1,-0.2 4,-1.7 0.860 101.4 63.0 -61.3 -37.3 5.4 46.9 23.6 51 54 A A H 3< S+ 0 0 5 -4,-2.1 -25,-0.4 1,-0.3 -1,-0.2 0.591 87.7 72.4 -70.1 -6.5 7.1 48.9 26.3 52 55 A E T << S+ 0 0 130 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.758 119.3 14.2 -71.3 -23.6 3.9 51.0 26.8 53 56 A D T <4 S+ 0 0 84 -3,-1.8 2,-0.3 -4,-0.4 -2,-0.2 0.522 125.7 42.9-128.5 -12.4 2.4 47.9 28.4 54 57 A Y S < S- 0 0 26 -4,-1.7 2,-0.8 -27,-0.2 -28,-0.5 -0.873 81.3-101.2-136.1 161.2 5.2 45.4 29.3 55 58 A S E - d 0 29A 15 -27,-2.0 -25,-3.0 -2,-0.3 2,-0.5 -0.830 48.6-157.8 -82.2 112.7 8.7 45.2 30.7 56 59 A V E -Cd 24 30A 1 -32,-3.1 -32,-1.9 -2,-0.8 2,-0.5 -0.846 15.9-175.0-107.3 125.6 10.7 44.9 27.5 57 60 A V E -Cd 23 31A 3 -27,-2.7 -25,-2.7 -2,-0.5 2,-0.4 -0.986 2.1-171.7-120.0 123.1 14.2 43.4 27.3 58 61 A L E -Cd 22 32A 0 -36,-2.9 -36,-2.5 -2,-0.5 2,-0.4 -0.903 11.3-176.6-111.0 133.7 16.2 43.4 24.0 59 62 A A E -Cd 21 33A 1 -27,-1.4 -25,-0.7 -2,-0.4 2,-0.5 -0.994 28.8-127.6-131.7 147.2 19.4 41.5 23.9 60 63 A D - 0 0 2 -40,-2.3 -40,-0.2 -2,-0.4 3,-0.1 -0.791 42.4-114.5 -82.2 129.7 22.2 40.9 21.3 61 64 A L > - 0 0 0 -2,-0.5 3,-2.6 1,-0.2 6,-0.3 -0.339 47.5 -75.9 -60.4 151.3 22.7 37.1 21.0 62 65 A R T 3 S+ 0 0 15 1,-0.3 6,-0.2 6,-0.1 -1,-0.2 -0.222 122.2 10.2 -51.7 123.5 26.0 35.8 22.2 63 66 A G T 3 S+ 0 0 6 4,-0.8 143,-0.3 1,-0.4 -1,-0.3 0.137 110.3 98.8 92.2 -21.4 28.6 36.7 19.5 64 67 A Y S X S- 0 0 1 -3,-2.6 3,-2.2 142,-0.1 -1,-0.4 -0.635 90.0 -17.1 -92.8 158.9 26.3 39.0 17.6 65 68 A G T 3 S- 0 0 11 -27,-0.3 -26,-0.1 1,-0.3 138,-0.1 -0.258 130.6 -24.1 54.9-124.3 26.2 42.8 17.9 66 69 A E T 3 S+ 0 0 92 -46,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.364 110.2 106.3-102.5 3.8 28.0 43.8 21.1 67 70 A S < - 0 0 2 -3,-2.2 -4,-0.8 -6,-0.3 2,-0.3 -0.665 48.2-177.3 -86.6 140.5 27.5 40.6 23.0 68 71 A R E -B 18 0A 102 -50,-2.8 -50,-2.7 -2,-0.3 2,-0.2 -0.985 28.7-119.0-139.8 145.2 30.6 38.4 23.4 69 72 A A E -B 17 0A 5 -2,-0.3 -52,-0.3 -52,-0.2 6,-0.1 -0.543 21.3-136.5 -68.4 144.7 31.6 35.0 24.9 70 73 A L S S+ 0 0 85 -54,-2.2 2,-1.1 -2,-0.2 -53,-0.1 0.818 95.2 73.8 -71.6 -28.4 34.1 35.3 27.6 71 74 A D > - 0 0 81 -55,-0.5 4,-0.7 1,-0.2 -2,-0.1 -0.742 64.4-177.3 -84.9 100.8 36.0 32.3 26.1 72 75 A E T 4 S+ 0 0 164 -2,-1.1 -1,-0.2 1,-0.1 -2,-0.1 0.548 75.5 43.8 -80.0 -2.5 37.5 33.9 23.1 73 76 A E T 4 S+ 0 0 185 -3,-0.0 -1,-0.1 1,-0.0 -2,-0.1 0.852 129.1 5.5-107.1 -50.8 39.0 30.6 21.9 74 77 A G T 4 S+ 0 0 56 2,-0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.184 78.9 165.1-135.9 38.6 36.5 27.7 22.1 75 78 A A < - 0 0 12 -4,-0.7 2,-0.6 1,-0.1 -3,-0.0 -0.151 40.0-113.6 -63.5 155.2 33.2 29.2 23.2 76 79 A D + 0 0 76 1,-0.1 -1,-0.1 2,-0.0 -5,-0.1 -0.807 33.2 173.4 -90.4 117.0 29.9 27.4 23.0 77 80 A Y + 0 0 28 -2,-0.6 136,-0.1 132,-0.1 -1,-0.1 0.082 33.2 131.5-109.5 19.8 27.5 28.9 20.5 78 81 A S S > S- 0 0 8 1,-0.1 4,-2.2 135,-0.1 3,-0.3 -0.323 71.3-114.7 -64.1 157.3 24.8 26.2 20.7 79 82 A K H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.855 117.6 59.3 -63.3 -33.0 21.3 27.3 21.1 80 83 A A H > S+ 0 0 20 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.895 106.7 46.7 -59.8 -41.7 21.3 25.6 24.5 81 84 A A H > S+ 0 0 2 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.913 113.3 47.7 -66.9 -43.7 24.2 27.9 25.7 82 85 A L H X S+ 0 0 5 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.847 107.7 57.4 -68.6 -30.7 22.5 31.0 24.4 83 86 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 3,-0.3 0.931 104.7 51.2 -62.8 -41.1 19.3 29.9 26.1 84 87 A R H X S+ 0 0 109 -4,-1.9 4,-2.4 1,-0.3 -2,-0.2 0.875 104.2 58.1 -63.6 -37.0 21.2 29.8 29.4 85 88 A D H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -1,-0.3 0.868 106.0 50.2 -55.0 -41.9 22.4 33.3 28.6 86 89 A Q H X S+ 0 0 2 -4,-1.4 4,-2.8 -3,-0.3 5,-0.3 0.899 108.1 50.8 -66.5 -44.0 18.8 34.4 28.5 87 90 A L H X S+ 0 0 46 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.918 114.3 44.6 -54.5 -47.3 17.9 32.7 31.8 88 91 A E H X S+ 0 0 62 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.890 113.0 51.7 -67.9 -39.8 20.8 34.5 33.4 89 92 A T H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.967 114.6 40.8 -59.4 -56.3 20.0 37.8 31.7 90 93 A M H X>S+ 0 0 0 -4,-2.8 5,-2.9 1,-0.2 4,-0.7 0.917 114.2 54.0 -64.9 -38.4 16.3 37.8 32.8 91 94 A G H ><5S+ 0 0 23 -4,-2.4 3,-1.0 -5,-0.3 -1,-0.2 0.907 107.0 50.3 -60.3 -46.5 17.2 36.5 36.2 92 95 A Q H 3<5S+ 0 0 104 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.893 109.6 51.9 -58.2 -37.2 19.7 39.4 36.8 93 96 A L H 3<5S- 0 0 52 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.554 130.1 -94.1 -79.2 -7.3 17.0 41.9 35.8 94 97 A G T <<5S+ 0 0 60 -3,-1.0 2,-0.5 -4,-0.7 -3,-0.2 0.536 86.1 119.1 111.7 10.0 14.6 40.4 38.3 95 98 A F < + 0 0 47 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.2 -0.940 27.1 169.0-119.2 118.6 12.6 37.9 36.2 96 99 A E S S+ 0 0 155 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.544 82.3 31.6 -94.4 -11.8 12.4 34.1 36.7 97 100 A R S S+ 0 0 98 -7,-0.1 2,-0.3 199,-0.1 -1,-0.2 -0.987 74.6 148.5-149.4 133.7 9.5 33.6 34.2 98 101 A F E - f 0 121A 2 22,-2.4 24,-2.3 -2,-0.3 25,-0.6 -0.977 44.2 -97.7-162.0 160.0 8.9 35.7 31.1 99 102 A A E -ef 30 123A 1 -70,-2.5 -68,-2.5 -2,-0.3 2,-0.4 -0.664 33.9-148.9 -84.9 152.2 7.5 35.6 27.5 100 103 A V E -ef 31 124A 0 23,-2.4 25,-2.6 -2,-0.3 2,-0.5 -0.989 13.2-175.0-128.7 128.9 9.9 35.2 24.6 101 104 A I E +ef 32 125A 0 -70,-2.9 -68,-2.4 -2,-0.4 2,-0.4 -0.993 16.9 179.9-123.6 118.9 9.5 36.7 21.1 102 105 A G E -ef 33 126A 0 23,-2.8 25,-2.6 -2,-0.5 2,-0.4 -0.939 19.6-159.9-125.9 149.1 12.1 35.6 18.6 103 106 A H E > - f 0 127A 0 -70,-2.5 3,-1.9 -2,-0.4 25,-0.2 -0.991 64.5 -39.8-121.4 130.6 12.9 36.2 14.9 104 107 A D T >> S+ 0 0 12 23,-1.9 3,-1.3 -2,-0.4 4,-1.3 -0.268 136.6 7.5 59.6-131.4 15.1 34.0 12.9 105 108 A R H 3> S+ 0 0 2 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.847 130.6 60.0 -56.1 -33.5 18.1 32.7 15.0 106 109 A G H <> S+ 0 0 0 -3,-1.9 4,-2.2 -72,-0.2 -1,-0.3 0.825 100.4 53.4 -61.3 -35.2 16.5 34.4 18.0 107 110 A A H <> S+ 0 0 0 -3,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.805 106.0 55.2 -66.9 -29.3 13.4 32.2 17.7 108 111 A R H X S+ 0 0 12 -4,-1.3 4,-1.5 -3,-0.3 -2,-0.2 0.885 109.3 45.9 -70.3 -41.4 15.8 29.2 17.7 109 112 A V H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.932 113.2 53.5 -60.4 -44.3 17.3 30.3 20.9 110 113 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.883 107.8 44.7 -61.8 -46.3 13.8 30.9 22.2 111 114 A Y H X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.865 113.4 52.1 -70.0 -31.5 12.3 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41.3-121.6 -60.7 145.4 12.6 23.8 14.7 132 135 A I H 3> S+ 0 0 2 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.803 110.5 64.7 -55.2 -34.8 15.8 23.0 12.9 133 136 A L H 3> S+ 0 0 20 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.923 105.1 45.3 -58.2 -40.6 15.0 19.3 12.9 134 137 A D H <> S+ 0 0 28 -3,-0.9 4,-1.0 2,-0.2 -2,-0.2 0.913 110.7 53.7 -68.6 -40.6 12.1 20.0 10.6 135 138 A N H >< S+ 0 0 25 -4,-1.8 3,-0.9 1,-0.2 4,-0.3 0.937 107.8 49.9 -58.8 -46.3 14.2 22.3 8.4 136 139 A W H >< S+ 0 0 54 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.887 106.0 55.5 -64.9 -34.3 16.8 19.6 7.9 137 140 A A H 3< S+ 0 0 88 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.743 105.6 54.9 -67.6 -21.3 14.2 17.0 6.9 138 141 A A T << S+ 0 0 16 -4,-1.0 -1,-0.3 -3,-0.9 5,-0.2 0.353 75.7 132.7 -90.6 -1.5 12.9 19.4 4.2 139 142 A V < + 0 0 59 -3,-1.4 2,-0.2 -4,-0.3 -3,-0.0 -0.388 22.9 142.3 -63.5 129.4 16.3 19.9 2.4 140 143 A N > - 0 0 95 -2,-0.2 4,-2.5 1,-0.0 5,-0.2 -0.829 66.3 -74.3-146.4-176.6 16.1 19.5 -1.3 141 144 A K H > S+ 0 0 166 -2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.908 129.3 44.2 -52.0 -54.2 17.7 21.2 -4.4 142 145 A V H > S+ 0 0 84 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.898 112.2 52.4 -65.5 -38.0 15.6 24.4 -4.1 143 146 A F H > S+ 0 0 39 1,-0.2 4,-2.9 -5,-0.2 -1,-0.2 0.940 110.3 47.9 -59.0 -47.6 16.0 24.7 -0.4 144 147 A A H < S+ 0 0 33 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.811 113.4 47.9 -67.7 -32.6 19.8 24.4 -0.6 145 148 A L H >< S+ 0 0 107 -4,-1.8 3,-0.9 -5,-0.2 -1,-0.2 0.910 115.8 43.0 -70.5 -45.5 19.9 27.0 -3.4 146 149 A N H 3< S+ 0 0 110 -4,-2.7 3,-0.2 1,-0.3 -2,-0.2 0.897 126.6 32.9 -67.6 -41.1 17.7 29.5 -1.6 147 150 A A T >X S+ 0 0 12 -4,-2.9 3,-1.8 -5,-0.2 4,-0.5 -0.316 73.9 143.8-110.4 45.8 19.5 28.9 1.8 148 151 A Y H X> + 0 0 71 -3,-0.9 4,-2.2 1,-0.3 3,-1.2 0.791 65.9 64.8 -55.6 -33.7 23.0 28.2 0.4 149 152 A H H 3> S+ 0 0 29 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.722 87.4 67.6 -67.4 -24.0 24.5 30.0 3.4 150 153 A W H <4 S+ 0 0 29 -3,-1.8 4,-0.3 2,-0.2 -1,-0.3 0.825 111.3 35.9 -61.1 -29.0 23.2 27.4 5.8 151 154 A F H << S+ 0 0 63 -3,-1.2 4,-0.2 -4,-0.5 -2,-0.2 0.840 118.3 49.1 -93.0 -37.8 25.6 25.0 4.1 152 155 A L H >< S+ 0 0 38 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.941 112.0 47.1 -64.5 -52.9 28.5 27.5 3.5 153 156 A L T 3< S+ 0 0 0 -4,-2.5 59,-0.3 1,-0.3 -1,-0.2 0.732 107.3 58.9 -70.2 -15.9 28.6 28.9 7.0 154 157 A A T 3 S+ 0 0 21 -4,-0.3 -1,-0.3 -5,-0.3 -2,-0.2 0.417 79.5 113.9 -88.9 -3.5 28.5 25.4 8.5 155 158 A Q S < S- 0 0 90 -3,-1.7 3,-0.1 -4,-0.2 57,-0.1 -0.318 82.9 -79.1 -64.4 154.7 31.7 24.3 6.8 156 159 A P S > S- 0 0 93 0, 0.0 3,-2.2 0, 0.0 -1,-0.2 -0.176 72.6 -53.3 -61.0 150.5 34.6 23.6 9.1 157 160 A Y T 3 S+ 0 0 159 1,-0.3 -3,-0.0 2,-0.1 48,-0.0 -0.309 117.0 10.2 -55.8 133.5 36.6 26.5 10.6 158 161 A D T 3> S+ 0 0 55 -3,-0.1 4,-2.4 47,-0.0 -1,-0.3 -0.775 99.0 89.8-117.7 34.3 38.0 28.7 8.9 159 162 A L H <> S+ 0 0 79 -3,-2.2 4,-1.9 1,-0.2 5,-0.2 0.954 98.2 35.3 -57.7 -59.8 36.6 28.2 5.4 160 163 A P H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.4 0.902 114.4 58.6 -67.9 -34.1 33.5 30.4 5.6 161 164 A E H > S+ 0 0 23 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.902 107.3 48.0 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36.5 13.6 41.0 -1.3 182 185 A G T 3 - 0 0 39 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 -0.384 24.7-125.8 -59.8 132.0 16.7 52.4 8.9 188 191 A P H > S+ 0 0 91 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.834 109.1 47.6 -61.0 -30.2 20.1 53.9 7.9 189 192 A Q H > S+ 0 0 124 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.887 109.9 50.5 -78.2 -34.6 21.2 54.1 11.5 190 193 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.918 107.8 57.1 -62.1 -41.3 20.2 50.5 12.3 191 194 A L H X S+ 0 0 27 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.885 101.2 54.4 -57.7 -43.1 22.1 49.5 9.2 192 195 A E H X S+ 0 0 96 -4,-1.3 4,-2.3 -5,-0.2 -1,-0.2 0.849 107.6 51.6 -61.2 -34.3 25.3 51.1 10.5 193 196 A S H X S+ 0 0 37 -4,-1.3 4,-2.1 -3,-0.3 -2,-0.2 0.935 110.4 46.8 -66.2 -44.0 25.0 49.1 13.7 194 197 A Y H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.908 113.7 50.1 -62.0 -41.8 24.6 45.9 11.7 195 198 A R H X S+ 0 0 50 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.911 108.2 51.4 -63.5 -44.4 27.6 46.8 9.5 196 199 A R H < S+ 0 0 185 -4,-2.3 4,-0.5 2,-0.2 3,-0.3 0.934 111.1 48.3 -61.2 -44.2 29.9 47.6 12.5 197 200 A A H >< S+ 0 0 11 -4,-2.1 3,-1.8 1,-0.2 6,-0.3 0.948 110.6 50.8 -61.4 -44.6 29.1 44.3 14.1 198 201 A F H 3< S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.754 100.4 63.2 -68.4 -24.9 29.8 42.4 10.8 199 202 A R T 3< S+ 0 0 116 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.613 85.4 90.9 -68.8 -14.4 33.1 44.1 10.3 200 203 A D S X> S- 0 0 68 -3,-1.8 4,-1.9 -4,-0.5 3,-0.8 -0.762 72.0-149.3 -85.5 119.7 34.3 42.5 13.6 201 204 A P H 3> S+ 0 0 85 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.792 97.1 59.5 -58.3 -30.9 35.9 39.1 12.8 202 205 A A H 3> S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.872 105.2 48.9 -66.8 -34.0 34.7 37.7 16.2 203 206 A V H <> S+ 0 0 3 -3,-0.8 4,-2.3 -6,-0.3 5,-0.2 0.935 110.5 49.4 -69.4 -46.5 31.1 38.4 15.2 204 207 A R H X S+ 0 0 29 -4,-1.9 4,-2.1 -7,-0.3 -2,-0.2 0.900 111.8 49.6 -60.4 -41.3 31.5 36.7 11.8 205 208 A H H X S+ 0 0 46 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.908 109.0 51.4 -61.3 -45.5 33.1 33.7 13.6 206 209 A A H X S+ 0 0 1 -4,-2.1 4,-1.8 -143,-0.3 -2,-0.2 0.860 108.3 52.7 -60.2 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