==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-JAN-09 3FU3 . COMPND 2 MOLECULE: LEUKOTRIENE A-4 HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.R.DAVIES . 606 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23974.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 436 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 39 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.8 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 0 1 0 1 0 2 4 3 2 0 1 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 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 PARALLEL BRIDGES PER LADDER . 1 3 1 2 1 2 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 2 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 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 V 0 0 156 0, 0.0 2,-1.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 162.4 -18.7 -13.9 5.8 2 5 A D > - 0 0 19 1,-0.2 3,-1.6 305,-0.1 305,-0.0 -0.794 360.0-169.3 -94.1 102.5 -17.1 -11.7 3.3 3 6 A T T 3 S+ 0 0 46 -2,-1.0 365,-0.3 1,-0.3 -1,-0.2 0.596 83.2 64.1 -70.8 -8.6 -19.9 -10.4 1.1 4 7 A C T 3 S+ 0 0 0 363,-0.1 2,-0.4 364,-0.1 -1,-0.3 0.561 94.9 69.7 -87.7 -11.1 -17.3 -9.0 -1.4 5 8 A S < - 0 0 18 -3,-1.6 141,-0.1 1,-0.1 139,-0.1 -0.888 53.8-168.5-110.7 140.7 -15.9 -12.5 -2.3 6 9 A L + 0 0 36 -2,-0.4 -1,-0.1 73,-0.3 2,-0.1 0.348 61.5 105.3 -98.4 3.3 -17.6 -15.2 -4.3 7 10 A A S S- 0 0 11 1,-0.2 44,-0.2 138,-0.1 -2,-0.1 -0.344 89.3 -78.7 -80.1 161.8 -15.0 -17.8 -3.3 8 11 A S - 0 0 12 42,-2.4 -1,-0.2 1,-0.1 44,-0.1 -0.399 60.6-112.8 -51.5 132.6 -15.3 -20.6 -0.8 9 12 A P >> - 0 0 49 0, 0.0 3,-2.2 0, 0.0 4,-1.8 -0.198 24.2-102.2 -69.8 165.9 -14.9 -19.0 2.7 10 13 A A T 34 S+ 0 0 18 1,-0.3 -2,-0.1 2,-0.2 134,-0.0 0.702 120.5 66.4 -63.5 -20.4 -12.0 -19.6 5.0 11 14 A S T 34 S+ 0 0 78 1,-0.1 -1,-0.3 30,-0.0 3,-0.1 0.577 108.1 39.5 -76.8 -10.6 -14.3 -22.0 7.0 12 15 A V T <4 S- 0 0 23 -3,-2.2 30,-3.1 1,-0.4 31,-0.6 0.811 133.2 -18.2-102.6 -51.6 -14.4 -24.3 4.0 13 16 A C E < -A 41 0A 0 -4,-1.8 -1,-0.4 28,-0.3 2,-0.4 -0.981 56.6-144.7-154.8 159.2 -10.8 -24.1 2.7 14 17 A R E -A 40 0A 99 26,-2.5 26,-3.3 -2,-0.3 2,-0.5 -0.994 15.8-131.9-131.8 129.3 -7.7 -21.9 3.0 15 18 A T E +A 39 0A 3 -2,-0.4 24,-0.2 24,-0.2 135,-0.1 -0.674 24.3 179.2 -74.8 126.6 -5.0 -21.0 0.5 16 19 A K E + 0 0 81 22,-3.5 136,-2.2 -2,-0.5 2,-0.3 0.747 63.2 5.2 -96.3 -34.7 -1.7 -21.5 2.3 17 20 A H E -Ab 38 152A 48 21,-1.1 21,-2.7 134,-0.3 2,-0.5 -0.996 55.4-151.0-154.7 146.0 0.7 -20.5 -0.6 18 21 A L E -Ab 37 153A 1 134,-1.7 136,-2.3 -2,-0.3 2,-0.6 -0.994 4.8-166.5-119.5 128.7 0.7 -19.2 -4.1 19 22 A H E -Ab 36 154A 55 17,-2.9 17,-2.9 -2,-0.5 2,-0.5 -0.954 14.9-167.1-110.2 116.2 3.3 -20.0 -6.6 20 23 A L E +Ab 35 155A 5 134,-2.6 136,-2.6 -2,-0.6 2,-0.5 -0.863 14.6 175.3-107.3 124.3 3.0 -17.6 -9.5 21 24 A R E +Ab 34 156A 100 13,-2.5 13,-3.0 -2,-0.5 2,-0.3 -0.974 25.2 147.9-125.6 113.2 4.8 -18.1 -12.8 22 25 A C E -Ab 33 157A 8 134,-2.2 136,-2.8 -2,-0.5 2,-0.4 -0.943 38.7-138.2-145.4 166.1 3.9 -15.6 -15.4 23 26 A S E -Ab 32 158A 38 9,-2.5 9,-2.2 -2,-0.3 2,-0.6 -0.979 19.0-136.9-126.7 138.2 5.0 -13.5 -18.4 24 27 A V E -A 31 0A 0 134,-2.5 2,-0.7 -2,-0.4 7,-0.2 -0.869 16.8-167.7-100.0 116.1 4.3 -9.9 -19.0 25 28 A D E >> -A 30 0A 41 5,-3.0 5,-1.7 -2,-0.6 4,-1.5 -0.889 9.5-179.3-109.1 103.5 3.3 -9.1 -22.7 26 29 A F T 45S+ 0 0 34 -2,-0.7 -1,-0.2 2,-0.2 101,-0.1 0.823 81.9 58.6 -72.7 -30.9 3.2 -5.4 -23.4 27 30 A T T 45S+ 0 0 136 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.918 120.8 27.3 -65.5 -38.9 2.2 -5.8 -27.0 28 31 A R T 45S- 0 0 124 2,-0.2 -2,-0.2 -3,-0.0 -1,-0.2 0.586 101.0-130.9 -94.3 -11.6 -1.0 -7.7 -25.9 29 32 A R T <5 + 0 0 90 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.942 64.9 128.3 54.1 49.7 -1.3 -6.0 -22.4 30 33 A T E < -A 25 0A 4 -5,-1.7 -5,-3.0 77,-0.0 2,-0.5 -0.965 56.4-145.5-132.0 150.5 -1.7 -9.4 -20.8 31 34 A L E -A 24 0A 2 -2,-0.3 74,-2.3 -7,-0.2 2,-0.4 -0.973 28.4-175.5-108.5 129.3 -0.2 -11.3 -18.0 32 35 A T E +AC 23 104A 50 -9,-2.2 -9,-2.5 -2,-0.5 2,-0.3 -0.982 26.9 73.8-129.2 136.5 -0.1 -15.0 -18.9 33 36 A G E -AC 22 103A 16 70,-2.1 70,-2.4 -2,-0.4 2,-0.4 -0.988 68.7 -48.5 165.6-147.4 1.0 -18.0 -16.8 34 37 A T E -AC 21 102A 22 -13,-3.0 -13,-2.5 -2,-0.3 2,-0.6 -0.958 23.9-158.6-128.5 137.7 0.1 -20.3 -13.9 35 38 A A E -AC 20 101A 0 66,-2.5 66,-3.1 -2,-0.4 2,-0.7 -0.970 13.3-164.4-110.8 112.9 -1.1 -19.8 -10.4 36 39 A A E -AC 19 100A 11 -17,-2.9 -17,-2.9 -2,-0.6 2,-0.6 -0.898 9.1-165.2 -99.4 112.0 -0.4 -22.8 -8.3 37 40 A L E -AC 18 99A 2 62,-3.3 62,-2.7 -2,-0.7 2,-0.8 -0.875 14.6-150.3-103.0 121.4 -2.4 -22.6 -5.1 38 41 A T E -AC 17 98A 28 -21,-2.7 -22,-3.5 -2,-0.6 -21,-1.1 -0.824 28.1-171.0 -84.9 112.8 -1.6 -24.8 -2.1 39 42 A V E -AC 15 97A 3 58,-2.9 58,-2.2 -2,-0.8 2,-0.5 -0.885 16.2-154.6-115.3 136.2 -5.0 -25.2 -0.6 40 43 A Q E -AC 14 96A 32 -26,-3.3 -26,-2.5 -2,-0.4 56,-0.2 -0.939 18.3-131.8-108.9 124.5 -5.9 -26.7 2.8 41 44 A S E -A 13 0A 0 54,-2.6 53,-2.7 -2,-0.5 -28,-0.3 -0.469 16.4-172.0 -69.1 139.3 -9.4 -28.2 3.4 42 45 A Q + 0 0 25 -30,-3.1 2,-0.3 51,-0.2 -29,-0.2 0.306 67.6 62.2-108.5 3.7 -11.1 -27.1 6.5 43 46 A E S > S- 0 0 81 -31,-0.6 3,-0.6 49,-0.2 2,-0.2 -0.924 84.5-106.3-130.5 153.8 -14.0 -29.6 6.0 44 47 A D T 3 S+ 0 0 119 -2,-0.3 48,-0.2 1,-0.2 47,-0.1 -0.495 99.1 9.2 -72.5 145.8 -14.5 -33.3 5.8 45 48 A N T 3 S- 0 0 83 46,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.856 79.7-177.5 57.5 43.1 -15.2 -34.9 2.4 46 49 A L E < +H 91 0B 10 45,-2.4 45,-2.3 -3,-0.6 -1,-0.2 -0.656 13.0 167.3 -79.1 121.1 -14.5 -31.7 0.4 47 50 A R E + 0 0 156 -2,-0.5 40,-2.4 1,-0.2 2,-0.3 0.471 58.8 17.5-116.9 -8.4 -15.2 -32.3 -3.3 48 51 A S E -H 86 0B 41 38,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.992 55.3-163.1-158.5 162.1 -15.1 -28.8 -4.8 49 52 A L E -H 85 0B 4 36,-1.8 36,-2.9 -2,-0.3 2,-0.4 -0.978 14.1-136.4-145.4 155.8 -14.0 -25.3 -4.2 50 53 A V E -H 84 0B 36 -2,-0.3 -42,-2.4 34,-0.2 2,-0.3 -0.952 16.7-168.4-119.6 133.4 -14.8 -21.8 -5.6 51 54 A L E -H 83 0B 0 32,-2.9 32,-3.2 -2,-0.4 2,-0.3 -0.878 24.1-114.0-115.3 153.3 -12.3 -19.1 -6.5 52 55 A D E +HI 82 143B 0 91,-2.9 91,-1.5 -2,-0.3 2,-0.3 -0.605 38.8 167.7 -76.9 142.5 -12.8 -15.4 -7.4 53 56 A T E -H 81 0B 2 28,-0.5 28,-1.8 26,-0.3 2,-0.3 -0.973 17.7-166.1-145.5 159.2 -11.9 -14.2 -10.9 54 57 A K S S- 0 0 16 84,-1.9 52,-0.3 -2,-0.3 3,-0.1 -0.890 75.8 -21.5-149.7 117.0 -12.6 -11.1 -12.9 55 58 A D S S+ 0 0 36 -2,-0.3 51,-0.9 1,-0.2 2,-0.4 0.837 93.5 147.1 54.4 37.4 -12.0 -10.8 -16.6 56 59 A L E -D 105 0A 13 49,-0.2 2,-0.6 25,-0.1 49,-0.2 -0.875 45.0-141.4-102.8 139.0 -9.6 -13.8 -16.6 57 60 A T E -D 104 0A 89 47,-3.2 47,-2.0 -2,-0.4 2,-0.5 -0.885 19.1-153.2 -95.5 118.7 -9.3 -16.3 -19.4 58 61 A I E +D 103 0A 16 -2,-0.6 45,-0.2 45,-0.2 3,-0.1 -0.840 19.7 176.4 -97.8 127.4 -8.9 -19.8 -18.0 59 62 A E E - 0 0 141 43,-2.6 2,-0.3 -2,-0.5 44,-0.2 0.831 63.0 -31.5 -92.1 -43.0 -7.0 -22.3 -20.1 60 63 A K E -D 102 0A 69 42,-1.1 42,-2.7 2,-0.0 2,-0.4 -0.967 43.8-132.3-171.7 159.4 -6.9 -25.3 -17.8 61 64 A V E -D 101 0A 1 7,-0.4 7,-2.7 -2,-0.3 2,-0.5 -0.999 25.0-165.1-124.7 125.8 -6.8 -26.5 -14.2 62 65 A V E +DE 100 67A 20 38,-2.9 38,-2.8 -2,-0.4 2,-0.4 -0.955 12.2 173.0-119.5 129.5 -4.3 -29.2 -13.3 63 66 A I E > S- E 0 66A 2 3,-2.8 3,-1.8 -2,-0.5 36,-0.1 -0.996 75.3 -7.3-133.4 127.5 -4.2 -31.3 -10.1 64 67 A N T 3 S- 0 0 117 34,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.864 130.5 -55.8 56.3 38.4 -1.8 -34.2 -9.5 65 68 A G T 3 S+ 0 0 61 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.446 118.8 102.3 77.6 1.2 -0.7 -33.9 -13.2 66 69 A Q E < S-E 63 0A 132 -3,-1.8 -3,-2.8 0, 0.0 2,-0.2 -0.900 74.8-113.2-118.6 147.6 -4.2 -34.3 -14.6 67 70 A E E -E 62 0A 139 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.536 37.5-159.3 -72.7 138.6 -6.6 -31.7 -16.0 68 71 A V - 0 0 18 -7,-2.7 -7,-0.4 -2,-0.2 2,-0.2 -0.810 21.7 -93.5-120.5 163.4 -9.8 -31.3 -13.9 69 72 A K + 0 0 167 17,-0.3 17,-2.8 -2,-0.3 2,-0.3 -0.539 47.3 162.9 -77.7 138.6 -13.3 -30.0 -14.5 70 73 A Y E -J 85 0B 76 15,-0.2 2,-0.3 -2,-0.2 15,-0.2 -0.973 16.9-160.8-147.3 156.4 -14.0 -26.3 -13.7 71 74 A A E -J 84 0B 58 13,-2.4 13,-2.8 -2,-0.3 2,-0.5 -0.998 13.5-136.6-141.4 147.6 -16.8 -23.9 -14.6 72 75 A L E -J 83 0B 77 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.883 22.7-143.4-102.0 127.3 -17.2 -20.1 -14.6 73 76 A G - 0 0 30 9,-3.1 3,-0.1 -2,-0.5 -1,-0.0 -0.163 38.9 -67.8 -76.6 175.7 -20.4 -18.6 -13.2 74 77 A E - 0 0 162 1,-0.1 -1,-0.2 7,-0.1 2,-0.1 -0.339 62.0 -97.9 -56.2 145.3 -22.3 -15.5 -14.5 75 78 A R - 0 0 105 6,-0.2 2,-0.4 -3,-0.1 6,-0.2 -0.464 29.3-154.8 -62.8 136.4 -20.4 -12.3 -14.0 76 79 A Q > - 0 0 94 4,-2.7 3,-2.0 1,-0.4 4,-0.2 -0.609 40.4-104.0-113.9 68.6 -21.7 -10.5 -10.9 77 80 A S G > S- 0 0 82 -2,-0.4 3,-2.0 1,-0.3 -1,-0.4 -0.151 96.6 -2.1 53.7-136.1 -20.7 -6.9 -11.8 78 81 A Y G 3 S+ 0 0 33 1,-0.3 -1,-0.3 -3,-0.1 57,-0.0 0.639 127.5 68.7 -61.2 -20.0 -17.6 -5.6 -10.0 79 82 A K G < S- 0 0 17 -3,-2.0 -26,-0.3 1,-0.2 -1,-0.3 0.687 95.0-150.3 -71.5 -18.6 -17.3 -8.9 -8.0 80 83 A G < - 0 0 0 -3,-2.0 -4,-2.7 -4,-0.2 -26,-0.3 -0.470 33.5 -39.4 83.2-155.0 -16.4 -10.8 -11.2 81 84 A S E -H 53 0B 21 -28,-1.8 -28,-0.5 -6,-0.2 -6,-0.2 -0.939 51.0-126.9-118.2 127.7 -17.1 -14.4 -12.0 82 85 A P E -H 52 0B 24 0, 0.0 -9,-3.1 0, 0.0 2,-0.6 -0.470 19.2-150.3 -69.5 138.9 -16.9 -17.3 -9.5 83 86 A M E -HJ 51 72B 0 -32,-3.2 -32,-2.9 -11,-0.2 2,-0.4 -0.952 8.4-161.6-113.3 111.6 -14.8 -20.3 -10.7 84 87 A E E -HJ 50 71B 93 -13,-2.8 -13,-2.4 -2,-0.6 2,-0.5 -0.802 3.9-163.7 -93.7 133.1 -15.9 -23.7 -9.4 85 88 A I E -HJ 49 70B 0 -36,-2.9 -36,-1.8 -2,-0.4 2,-0.7 -0.978 13.9-140.4-119.6 125.3 -13.3 -26.5 -9.5 86 89 A S E -H 48 0B 56 -17,-2.8 -17,-0.3 -2,-0.5 -38,-0.2 -0.781 24.4-133.6 -82.5 115.6 -14.3 -30.1 -9.2 87 90 A L E - 0 0 17 -40,-2.4 3,-0.1 -2,-0.7 -17,-0.0 -0.484 3.6-137.8 -71.3 137.8 -11.6 -31.8 -7.0 88 91 A P E S+ 0 0 72 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.887 89.9 26.3 -63.1 -38.1 -10.4 -35.2 -8.4 89 92 A I E S- 0 0 113 -43,-0.1 -43,-0.0 -3,-0.0 2,-0.0 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0 0 134 -4,-0.4 2,-0.5 -3,-0.3 -1,-0.3 0.221 96.7 99.5 -97.7 16.5 5.7 32.9 9.9 491 494 A L < - 0 0 27 -3,-2.0 2,-0.0 -27,-0.1 -3,-0.0 -0.883 62.7-142.6-106.4 130.4 3.7 30.0 8.4 492 495 A S > - 0 0 53 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.307 37.4-101.0 -70.6 170.1 5.2 26.6 7.6 493 496 A S H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.858 127.6 54.8 -61.5 -34.9 4.0 24.9 4.4 494 497 A H H > S+ 0 0 55 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.901 109.2 47.0 -62.1 -43.7 1.8 22.7 6.6 495 498 A Q H > S+ 0 0 25 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.868 109.7 52.9 -67.6 -36.7 0.3 26.0 8.1 496 499 A L H X S+ 0 0 18 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.930 109.8 50.1 -61.6 -46.9 -0.2 27.5 4.6 497 500 A N H X S+ 0 0 32 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.899 111.7 46.8 -54.0 -46.4 -2.0 24.3 3.6 498 501 A E H X S+ 0 0 17 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.848 107.7 55.9 -70.7 -37.6 -4.3 24.5 6.6 499 502 A F H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.937 112.5 43.9 -52.8 -49.1 -4.9 28.2 6.0 500 503 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.912 111.8 52.8 -65.2 -42.7 -6.1 27.2 2.5 501 504 A A H X S+ 0 0 9 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.910 111.2 47.2 -55.2 -45.9 -8.1 24.3 4.0 502 505 A Q H < S+ 0 0 26 -4,-2.8 4,-0.4 2,-0.2 -1,-0.2 0.886 114.7 45.4 -63.5 -42.5 -9.9 26.6 6.4 503 506 A T H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.899 107.7 57.8 -69.9 -40.8 -10.7 29.2 3.8 504 507 A L H >< S+ 0 0 18 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.821 96.2 64.1 -59.3 -34.3 -11.9 26.6 1.3 505 508 A Q T 3< S+ 0 0 50 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.771 106.8 43.6 -59.6 -26.6 -14.5 25.4 3.9 506 509 A R T < S+ 0 0 107 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.170 99.3 173.3-103.9 14.5 -16.1 28.9 3.5 507 510 A A < + 0 0 23 -3,-1.6 2,-0.1 2,-0.0 35,-0.1 -0.444 42.1 62.9 -71.4 145.4 -15.8 29.0 -0.3 508 511 A P + 0 0 75 0, 0.0 34,-0.1 0, 0.0 31,-0.1 0.367 62.0 179.5 -83.1 155.2 -16.8 30.8 -2.3 509 512 A L - 0 0 13 29,-0.3 -36,-0.1 -2,-0.1 -2,-0.0 -0.716 46.3 -78.5-100.5 161.3 -15.0 34.0 -1.5 510 513 A P >> - 0 0 74 0, 0.0 4,-1.7 0, 0.0 3,-1.0 -0.359 38.8-120.0 -59.0 145.7 -15.6 37.1 -3.7 511 514 A L H 3> S+ 0 0 62 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.868 113.5 58.5 -56.9 -37.7 -13.6 37.1 -6.9 512 515 A G H 3> S+ 0 0 38 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.828 104.0 51.0 -59.4 -35.1 -11.8 40.3 -5.9 513 516 A H H <> S+ 0 0 12 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.932 110.5 48.3 -67.9 -43.8 -10.5 38.6 -2.7 514 517 A I H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.891 110.2 51.2 -67.5 -40.9 -9.2 35.7 -4.7 515 518 A K H X S+ 0 0 106 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.896 110.6 50.3 -59.9 -40.5 -7.5 38.0 -7.2 516 519 A R H X S+ 0 0 40 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.909 105.7 56.3 -64.0 -43.0 -5.9 39.9 -4.4 517 520 A M H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.4 0.910 110.7 43.6 -54.5 -46.7 -4.6 36.6 -2.8 518 521 A Q H X S+ 0 0 33 -4,-1.9 4,-1.8 3,-0.2 -1,-0.2 0.919 112.0 55.2 -65.4 -42.5 -2.8 35.7 -6.0 519 522 A E H < S+ 0 0 138 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.906 121.8 26.4 -57.0 -44.0 -1.5 39.3 -6.3 520 523 A V H < S+ 0 0 24 -4,-2.7 -2,-0.2 1,-0.1 -1,-0.2 0.763 133.0 30.9 -95.4 -26.6 0.1 39.3 -2.8 521 524 A Y H < S- 0 0 17 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.575 83.0-144.1-109.5 -12.9 0.9 35.6 -2.1 522 525 A N >< + 0 0 84 -4,-1.8 3,-1.9 -5,-0.4 4,-0.2 0.868 31.5 168.9 46.4 46.5 1.6 34.3 -5.6 523 526 A F G > + 0 0 0 -6,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.758 65.9 74.4 -58.2 -22.6 -0.1 30.9 -4.7 524 527 A N G 3 S+ 0 0 48 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.772 90.7 56.5 -60.5 -26.8 0.1 30.1 -8.5 525 528 A A G < S+ 0 0 56 -3,-1.9 2,-0.3 2,-0.0 -1,-0.3 0.527 81.7 108.3 -81.2 -6.7 3.8 29.6 -8.2 526 529 A I < - 0 0 38 -3,-1.7 -4,-0.0 -4,-0.2 -3,-0.0 -0.562 43.0-176.3 -81.3 131.4 3.5 26.9 -5.4 527 530 A N + 0 0 136 -2,-0.3 -1,-0.1 -246,-0.2 2,-0.1 0.597 44.9 118.4-101.6 -15.0 4.3 23.4 -6.6 528 531 A N > - 0 0 14 1,-0.1 4,-3.0 -247,-0.1 5,-0.2 -0.368 63.3-142.0 -51.0 122.3 3.4 21.6 -3.3 529 532 A S H > S+ 0 0 12 -251,-0.5 4,-2.5 1,-0.2 -1,-0.1 0.875 94.9 49.5 -65.4 -40.2 0.6 19.3 -4.6 530 533 A E H > S+ 0 0 13 -252,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 116.1 42.1 -62.5 -48.9 -1.6 19.6 -1.4 531 534 A I H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.926 115.8 49.3 -62.9 -47.4 -1.4 23.5 -1.3 532 535 A R H X S+ 0 0 39 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.912 109.4 53.2 -61.4 -43.7 -1.8 23.8 -5.1 533 536 A F H X S+ 0 0 9 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.952 112.4 42.7 -53.5 -53.4 -4.8 21.5 -5.0 534 537 A R H X S+ 0 0 14 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.893 113.9 52.4 -65.8 -39.5 -6.6 23.5 -2.3 535 538 A W H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.896 110.8 46.3 -59.6 -47.8 -5.7 26.8 -4.0 536 539 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.903 112.7 49.9 -66.3 -40.2 -7.1 25.8 -7.3 537 540 A R H X S+ 0 0 57 -4,-2.5 4,-2.5 -5,-0.2 5,-0.3 0.935 109.6 52.6 -59.1 -43.9 -10.3 24.4 -5.7 538 541 A L H X S+ 0 0 0 -4,-2.6 4,-1.3 -5,-0.2 -29,-0.3 0.930 112.3 45.5 -58.1 -44.3 -10.5 27.8 -3.9 539 542 A C H <>S+ 0 0 0 -4,-2.2 5,-2.7 2,-0.2 -2,-0.2 0.888 114.3 46.5 -65.3 -45.8 -10.2 29.7 -7.3 540 543 A I H ><5S+ 0 0 2 -4,-2.7 3,-1.8 3,-0.2 -2,-0.2 0.941 113.2 47.3 -63.1 -49.8 -12.7 27.5 -9.2 541 544 A Q H 3<5S+ 0 0 55 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.778 110.5 53.7 -64.9 -27.8 -15.4 27.5 -6.5 542 545 A S T 3<5S- 0 0 5 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.346 119.8-117.1 -86.1 4.3 -14.9 31.3 -6.3 543 546 A K T < 5 + 0 0 125 -3,-1.8 2,-0.9 1,-0.2 -3,-0.2 0.803 53.5 162.1 70.0 37.5 -15.5 31.4 -10.1 544 547 A W > < - 0 0 24 -5,-2.7 3,-1.7 1,-0.2 4,-0.3 -0.793 24.7-161.9 -89.9 106.7 -12.2 32.7 -11.4 545 548 A E G > S+ 0 0 108 -2,-0.9 3,-1.6 1,-0.3 -1,-0.2 0.797 85.1 67.4 -57.9 -32.9 -12.0 31.8 -15.1 546 549 A D G 3 S+ 0 0 111 1,-0.3 4,-0.5 2,-0.1 -1,-0.3 0.756 95.3 57.6 -59.9 -27.0 -8.2 32.3 -15.2 547 550 A A G <> S+ 0 0 3 -3,-1.7 4,-2.6 1,-0.2 -1,-0.3 0.601 82.9 88.4 -81.3 -12.7 -7.8 29.2 -12.9 548 551 A I H <> S+ 0 0 8 -3,-1.6 4,-2.8 -4,-0.3 5,-0.2 0.942 88.7 43.3 -54.6 -55.7 -9.7 26.9 -15.4 549 552 A P H > S+ 0 0 78 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.877 115.3 51.3 -61.9 -34.2 -6.7 25.8 -17.5 550 553 A L H > S+ 0 0 45 -4,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.896 112.6 44.8 -65.7 -41.9 -4.5 25.4 -14.3 551 554 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.914 113.4 49.8 -66.7 -44.7 -7.2 23.2 -12.7 552 555 A L H X S+ 0 0 19 -4,-2.8 4,-1.4 -5,-0.2 5,-0.2 0.918 112.2 49.8 -58.8 -44.5 -7.8 21.1 -15.9 553 556 A K H X S+ 0 0 102 -4,-2.2 4,-2.8 -5,-0.2 3,-0.5 0.939 112.1 45.1 -59.8 -53.6 -4.0 20.7 -16.1 554 557 A M H X S+ 0 0 17 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.895 111.1 55.5 -59.5 -37.9 -3.5 19.5 -12.5 555 558 A A H < S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.817 120.6 28.1 -64.9 -30.5 -6.6 17.2 -12.8 556 559 A T H < S+ 0 0 43 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.739 109.8 63.3-106.5 -29.0 -5.1 15.4 -15.8 557 560 A E H < S+ 0 0 117 -4,-2.8 2,-0.3 -5,-0.2 -3,-0.2 0.644 115.8 29.0 -77.4 -17.9 -1.4 15.6 -15.5 558 561 A Q < - 0 0 18 -4,-0.9 -297,-0.2 -5,-0.3 -282,-0.0 -0.927 67.8-154.7-130.9 167.4 -1.5 13.5 -12.3 559 562 A G + 0 0 10 -299,-3.0 2,-0.4 -2,-0.3 -298,-0.2 0.154 39.4 138.9-130.7 16.2 -4.1 10.9 -11.3 560 563 A R >> - 0 0 12 -300,-0.3 4,-2.9 1,-0.2 3,-1.6 -0.539 49.0-143.1 -65.6 120.8 -4.2 10.8 -7.5 561 564 A M H 3> S+ 0 0 13 -298,-2.4 4,-1.9 -2,-0.4 -1,-0.2 0.833 95.9 67.4 -62.8 -35.9 -7.9 10.5 -6.9 562 565 A K H 34 S+ 0 0 89 -299,-0.4 -1,-0.3 1,-0.2 -298,-0.1 0.798 119.2 23.1 -44.9 -37.1 -7.7 12.7 -3.8 563 566 A F H <> S+ 0 0 0 -3,-1.6 4,-2.1 2,-0.1 -2,-0.2 0.862 122.8 51.0 -98.9 -53.2 -6.9 15.6 -6.2 564 567 A T H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.892 107.7 52.4 -55.4 -46.8 -8.2 14.5 -9.6 565 568 A R H X S+ 0 0 43 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.938 114.0 39.0 -64.5 -51.2 -11.8 13.7 -8.4 566 569 A P H > S+ 0 0 21 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.819 113.6 57.0 -68.7 -29.8 -12.6 17.0 -6.5 567 570 A L H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.967 110.2 43.8 -63.1 -47.2 -10.9 19.0 -9.3 568 571 A F H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.895 113.2 52.1 -60.8 -42.5 -13.1 17.5 -11.9 569 572 A K H X S+ 0 0 84 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.922 111.9 45.6 -58.6 -47.6 -16.2 17.9 -9.6 570 573 A D H X S+ 0 0 15 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.935 113.4 49.5 -62.4 -48.2 -15.4 21.6 -9.1 571 574 A L H < S+ 0 0 0 -4,-2.6 6,-0.3 1,-0.2 10,-0.3 0.854 111.6 49.1 -57.6 -37.7 -14.7 22.2 -12.8 572 575 A A H < S+ 0 0 20 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.841 110.0 52.0 -72.8 -30.1 -18.1 20.4 -13.7 573 576 A A H < S+ 0 0 89 -4,-1.9 2,-0.7 -5,-0.2 -1,-0.2 0.647 92.9 81.1 -80.5 -17.5 -19.9 22.6 -11.1 574 577 A F S >X S- 0 0 15 -4,-1.1 3,-1.7 -3,-0.2 4,-1.5 -0.824 75.3-149.0 -87.3 114.3 -18.5 25.9 -12.6 575 578 A D T 34 S+ 0 0 123 -2,-0.7 4,-0.5 1,-0.3 3,-0.2 0.848 94.8 58.9 -55.1 -33.8 -20.7 26.6 -15.6 576 579 A K T 34 S+ 0 0 115 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.722 119.1 27.3 -67.6 -23.1 -17.8 28.3 -17.4 577 580 A S T <> S+ 0 0 0 -3,-1.7 4,-2.9 -6,-0.3 -1,-0.2 0.426 92.4 100.8-116.1 -3.3 -15.6 25.1 -17.2 578 581 A H H X S+ 0 0 74 -4,-1.5 4,-2.2 1,-0.2 5,-0.2 0.901 86.5 42.2 -54.7 -51.4 -18.4 22.5 -17.2 579 582 A D H > S+ 0 0 127 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.854 114.6 52.5 -65.5 -36.8 -18.2 21.5 -20.9 580 583 A Q H > S+ 0 0 89 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.894 107.9 52.1 -63.3 -41.4 -14.4 21.6 -20.7 581 584 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 -10,-0.3 -2,-0.2 0.967 113.2 42.9 -60.9 -52.4 -14.4 19.3 -17.7 582 585 A V H X S+ 0 0 23 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.922 116.5 47.5 -59.6 -47.3 -16.6 16.7 -19.5 583 586 A R H X S+ 0 0 161 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.915 111.1 50.8 -62.4 -45.5 -14.7 16.9 -22.8 584 587 A T H X S+ 0 0 21 -4,-2.7 4,-1.9 1,-0.2 5,-0.2 0.934 110.3 50.0 -60.5 -47.3 -11.3 16.7 -21.1 585 588 A Y H X S+ 0 0 10 -4,-2.4 4,-2.4 -5,-0.2 3,-0.3 0.945 110.0 50.2 -52.9 -50.4 -12.4 13.6 -19.2 586 589 A Q H < S+ 0 0 106 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.890 111.9 48.8 -59.3 -38.8 -13.7 12.0 -22.5 587 590 A E H < S+ 0 0 119 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.818 119.8 35.9 -67.3 -34.5 -10.4 12.7 -24.2 588 591 A H H >X S+ 0 0 65 -4,-1.9 3,-1.4 -3,-0.3 4,-0.5 0.621 90.1 97.7 -96.2 -16.8 -8.2 11.3 -21.4 589 592 A K G >< S+ 0 0 107 -4,-2.4 3,-1.3 1,-0.3 -1,-0.1 0.809 80.4 52.6 -34.4 -55.1 -10.5 8.4 -20.4 590 593 A A G 34 S+ 0 0 99 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.778 113.3 42.1 -64.3 -32.3 -8.7 5.8 -22.4 591 594 A S G <4 S+ 0 0 56 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.2 0.313 95.4 100.6-102.3 7.5 -5.3 6.5 -20.9 592 595 A M S << S- 0 0 35 -3,-1.3 -36,-0.0 -4,-0.5 -331,-0.0 -0.412 89.2 -84.0 -83.2 163.1 -6.4 6.9 -17.3 593 596 A H > - 0 0 4 -332,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.482 45.3-121.7 -60.4 140.1 -6.1 4.3 -14.5 594 597 A P H > S+ 0 0 42 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.845 109.0 45.3 -62.8 -35.3 -9.2 2.1 -14.9 595 598 A V H > S+ 0 0 8 -485,-0.3 4,-2.4 2,-0.2 5,-0.2 0.939 114.6 48.5 -71.3 -44.5 -10.6 2.7 -11.4 596 599 A T H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.903 109.3 53.8 -60.1 -43.1 -10.0 6.4 -11.6 597 600 A A H X S+ 0 0 14 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.932 110.6 46.9 -54.7 -47.7 -11.7 6.5 -15.0 598 601 A M H X S+ 0 0 58 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.914 115.2 44.5 -63.8 -45.4 -14.7 4.8 -13.6 599 602 A L H X S+ 0 0 2 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.910 113.1 48.5 -71.0 -44.7 -15.0 7.0 -10.6 600 603 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.909 111.3 53.2 -59.4 -43.2 -14.4 10.4 -12.4 601 604 A G H X>S+ 0 0 4 -4,-2.3 5,-2.3 -5,-0.3 4,-0.6 0.933 110.6 46.2 -56.4 -48.0 -17.1 9.2 -14.9 602 605 A K H ><5S+ 0 0 128 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.956 112.3 50.9 -58.5 -48.6 -19.5 8.6 -12.1 603 606 A D H 3<5S+ 0 0 36 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.858 113.1 44.9 -57.7 -38.6 -18.6 12.0 -10.5 604 607 A L H 3<5S- 0 0 16 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.482 108.6-126.9 -83.8 -3.3 -19.2 13.7 -13.9 605 608 A K T <<5 0 0 201 -3,-1.5 -3,-0.2 -4,-0.6 -2,-0.1 0.894 360.0 360.0 55.9 45.6 -22.4 11.7 -14.4 606 609 A V < 0 0 89 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.944 360.0 360.0-117.3 360.0 -21.2 10.6 -17.9