==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JAN-09 3FU6 . 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) . 23727.0 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 . 93 15.3 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 . 42 6.9 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 . 188 31.0 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 1 1 0 1 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 2 0 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 0 141 0, 0.0 2,-0.9 0, 0.0 306,-0.0 0.000 360.0 360.0 360.0 158.2 19.9 -13.5 6.5 2 5 A D > - 0 0 20 1,-0.1 3,-1.5 304,-0.1 305,-0.0 -0.722 360.0-171.1 -96.0 102.3 21.2 -11.4 3.6 3 6 A T T 3 S+ 0 0 44 -2,-0.9 365,-0.5 1,-0.3 -1,-0.1 0.468 84.4 60.9 -72.8 0.0 18.4 -9.8 1.6 4 7 A C T 3 S+ 0 0 1 363,-0.1 2,-0.4 364,-0.1 -1,-0.3 0.534 96.4 70.7 -97.9 -9.6 21.0 -8.6 -1.0 5 8 A S < - 0 0 20 -3,-1.5 141,-0.1 1,-0.1 139,-0.1 -0.861 53.0-167.4-113.7 144.9 22.2 -12.0 -2.0 6 9 A L + 0 0 36 -2,-0.4 -1,-0.1 73,-0.2 138,-0.1 0.388 61.4 105.7-101.5 -1.7 20.5 -14.8 -3.9 7 10 A A S S- 0 0 12 1,-0.1 44,-0.2 136,-0.1 -2,-0.1 -0.259 87.1 -81.6 -77.5 163.2 23.2 -17.4 -2.9 8 11 A S - 0 0 14 42,-2.5 -1,-0.1 1,-0.1 44,-0.1 -0.434 58.6-114.7 -57.1 134.0 22.9 -20.3 -0.3 9 12 A P >> - 0 0 48 0, 0.0 3,-2.3 0, 0.0 4,-1.9 -0.256 23.4-101.0 -71.1 166.0 23.5 -18.7 3.1 10 13 A A T 34 S+ 0 0 18 1,-0.3 -2,-0.1 2,-0.2 134,-0.0 0.731 121.3 64.9 -57.5 -25.0 26.4 -19.4 5.4 11 14 A S T 34 S+ 0 0 80 1,-0.1 -1,-0.3 30,-0.0 3,-0.1 0.686 109.6 39.0 -72.6 -17.3 24.2 -21.8 7.4 12 15 A V T <4 S- 0 0 24 -3,-2.3 30,-2.9 1,-0.4 31,-0.5 0.854 133.4 -19.5 -95.7 -52.1 23.9 -24.0 4.3 13 16 A C E < -A 41 0A 0 -4,-1.9 -1,-0.4 28,-0.3 2,-0.4 -0.981 56.6-144.2-156.6 158.2 27.5 -23.9 2.9 14 17 A R E -A 40 0A 106 26,-2.5 26,-3.2 -2,-0.3 2,-0.5 -0.993 15.5-131.6-132.8 127.1 30.6 -21.7 3.2 15 18 A T E +A 39 0A 3 -2,-0.4 24,-0.2 24,-0.2 135,-0.1 -0.701 24.8 178.5 -74.1 124.8 33.2 -20.8 0.6 16 19 A K E + 0 0 83 22,-3.0 136,-2.2 -2,-0.5 2,-0.3 0.740 62.7 3.7 -92.9 -36.3 36.6 -21.3 2.2 17 20 A H E -Ab 38 152A 45 21,-1.2 21,-2.8 134,-0.3 2,-0.4 -0.994 54.4-151.8-153.7 148.6 38.8 -20.4 -0.7 18 21 A L E -Ab 37 153A 2 134,-1.5 136,-2.1 -2,-0.3 2,-0.6 -0.998 4.0-165.7-121.1 127.5 38.8 -19.0 -4.3 19 22 A H E -Ab 36 154A 54 17,-2.6 17,-2.7 -2,-0.4 2,-0.5 -0.958 15.5-165.2-106.5 114.9 41.4 -19.8 -6.8 20 23 A L E +Ab 35 155A 5 134,-2.5 136,-2.4 -2,-0.6 2,-0.5 -0.869 13.8 177.0-103.6 125.0 40.9 -17.4 -9.7 21 24 A R E +Ab 34 156A 114 13,-2.6 13,-2.9 -2,-0.5 2,-0.3 -0.970 25.3 146.5-125.5 109.0 42.6 -18.0 -13.0 22 25 A C E -Ab 33 157A 10 134,-2.3 136,-2.9 -2,-0.5 2,-0.4 -0.935 39.8-139.8-142.9 166.7 41.7 -15.4 -15.6 23 26 A S E -Ab 32 158A 37 9,-2.2 9,-2.1 -2,-0.3 2,-0.7 -0.992 20.5-135.1-129.2 137.3 42.8 -13.4 -18.6 24 27 A V E -A 31 0A 0 134,-3.0 2,-0.9 -2,-0.4 7,-0.2 -0.839 18.1-165.8 -98.0 108.8 41.9 -9.7 -19.2 25 28 A D E >> +A 30 0A 40 5,-2.9 5,-1.7 -2,-0.7 4,-1.4 -0.814 11.2 179.5-101.0 97.6 40.8 -9.1 -22.8 26 29 A F T 45S+ 0 0 34 -2,-0.9 -1,-0.2 1,-0.2 101,-0.1 0.766 80.7 59.3 -68.8 -25.8 40.8 -5.3 -23.5 27 30 A T T 45S+ 0 0 129 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.902 120.8 26.3 -71.0 -37.7 39.7 -5.9 -27.1 28 31 A R T 45S- 0 0 116 2,-0.2 -2,-0.2 -3,-0.2 -1,-0.2 0.536 101.7-129.9 -97.4 -6.9 36.5 -7.6 -26.0 29 32 A R T <5 + 0 0 88 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.924 66.0 128.9 52.5 46.2 36.3 -5.8 -22.5 30 33 A T E < -A 25 0A 3 -5,-1.7 -5,-2.9 77,-0.1 2,-0.5 -0.964 57.2-145.1-127.9 146.7 35.9 -9.2 -20.9 31 34 A L E -A 24 0A 2 -2,-0.3 74,-2.5 -7,-0.2 2,-0.4 -0.956 30.0-173.1-101.6 129.9 37.5 -11.1 -18.1 32 35 A T E +AC 23 104A 54 -9,-2.1 -9,-2.2 -2,-0.5 2,-0.3 -0.990 27.5 70.4-128.5 134.4 37.5 -14.8 -19.0 33 36 A G E -AC 22 103A 17 70,-2.4 70,-2.6 -2,-0.4 2,-0.4 -0.972 69.2 -46.1 166.6-146.4 38.6 -17.8 -16.9 34 37 A T E -AC 21 102A 23 -13,-2.9 -13,-2.6 -2,-0.3 2,-0.6 -0.973 23.8-160.1-128.6 137.8 37.8 -20.2 -14.1 35 38 A A E -AC 20 101A 0 66,-2.2 66,-2.7 -2,-0.4 2,-0.8 -0.980 13.3-162.9-112.7 108.2 36.7 -19.6 -10.5 36 39 A A E -AC 19 100A 9 -17,-2.7 -17,-2.6 -2,-0.6 2,-0.6 -0.867 9.6-164.3 -94.0 106.6 37.6 -22.6 -8.4 37 40 A L E -AC 18 99A 3 62,-3.3 62,-2.8 -2,-0.8 2,-0.7 -0.839 12.7-150.9 -96.4 119.6 35.5 -22.4 -5.2 38 41 A T E -AC 17 98A 31 -21,-2.8 -22,-3.0 -2,-0.6 -21,-1.2 -0.831 27.2-170.2 -85.5 116.2 36.5 -24.6 -2.3 39 42 A V E -AC 15 97A 2 58,-2.9 58,-2.3 -2,-0.7 2,-0.5 -0.928 16.3-155.3-120.6 132.1 33.1 -25.0 -0.5 40 43 A Q E -AC 14 96A 28 -26,-3.2 -26,-2.5 -2,-0.4 56,-0.2 -0.905 19.2-130.6-106.2 126.3 32.4 -26.5 2.9 41 44 A S E -A 13 0A 0 54,-2.9 53,-2.6 -2,-0.5 -28,-0.3 -0.488 17.1-172.5 -70.3 139.5 28.9 -28.0 3.6 42 45 A Q + 0 0 24 -30,-2.9 2,-0.3 51,-0.2 -29,-0.2 0.242 68.9 64.4-106.6 8.9 27.2 -26.9 6.8 43 46 A E S > S- 0 0 77 -31,-0.5 3,-0.6 49,-0.2 52,-0.2 -0.957 82.9-110.7-136.0 148.7 24.5 -29.4 6.3 44 47 A D T 3 S+ 0 0 120 -2,-0.3 48,-0.2 1,-0.2 47,-0.1 -0.446 98.7 10.5 -70.0 149.3 23.9 -33.1 6.1 45 48 A N T 3 S- 0 0 82 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.865 80.5-177.5 51.4 45.8 23.0 -34.6 2.8 46 49 A L E < +H 91 0B 7 45,-2.8 45,-2.6 -3,-0.6 -1,-0.2 -0.663 13.9 163.8 -79.5 124.3 23.7 -31.4 0.7 47 50 A R E + 0 0 155 -2,-0.5 40,-2.7 1,-0.3 2,-0.3 0.537 58.7 16.2-120.7 -12.5 22.9 -32.0 -2.9 48 51 A S E -H 86 0B 46 38,-0.2 2,-0.3 40,-0.0 -1,-0.3 -0.977 56.3-170.0-153.1 162.3 22.8 -28.6 -4.5 49 52 A L E -H 85 0B 2 36,-1.7 36,-3.4 -2,-0.3 2,-0.4 -0.980 16.0-131.1-152.3 162.4 23.8 -25.0 -3.8 50 53 A V E -H 84 0B 28 -2,-0.3 -42,-2.5 34,-0.2 2,-0.3 -0.932 16.3-167.7-121.3 137.2 23.2 -21.5 -5.3 51 54 A L E -H 83 0B 1 32,-2.6 32,-2.8 -2,-0.4 2,-0.3 -0.884 25.2-112.6-117.4 155.0 25.6 -18.8 -6.2 52 55 A D E +HI 82 143B 0 91,-2.8 91,-1.6 -2,-0.3 2,-0.3 -0.629 39.1 168.8 -78.0 142.6 25.2 -15.1 -7.0 53 56 A T E -H 81 0B 3 28,-0.7 28,-1.8 26,-0.3 2,-0.3 -0.971 17.4-165.1-145.3 160.0 26.0 -14.0 -10.6 54 57 A K S S- 0 0 16 84,-1.7 52,-0.3 -2,-0.3 56,-0.1 -0.882 74.9 -22.4-149.9 114.0 25.4 -10.8 -12.6 55 58 A D S S+ 0 0 39 -2,-0.3 51,-0.8 1,-0.2 2,-0.3 0.870 93.9 148.9 55.8 40.6 25.7 -10.5 -16.4 56 59 A L E -D 105 0A 16 49,-0.2 2,-0.6 25,-0.1 49,-0.2 -0.809 44.7-142.2-103.9 145.7 28.0 -13.6 -16.4 57 60 A T E -D 104 0A 84 47,-3.0 47,-1.8 -2,-0.3 2,-0.5 -0.950 18.8-154.1-102.7 117.8 28.3 -16.1 -19.2 58 61 A I E +D 103 0A 18 -2,-0.6 45,-0.3 45,-0.2 3,-0.1 -0.835 18.0 178.3 -95.0 126.4 28.8 -19.6 -17.8 59 62 A E E - 0 0 144 43,-2.8 2,-0.3 -2,-0.5 -1,-0.2 0.855 63.4 -37.0 -88.7 -44.6 30.6 -22.1 -20.0 60 63 A K E -D 102 0A 69 42,-1.1 42,-2.3 2,-0.0 2,-0.4 -0.976 43.9-127.3-171.6 166.9 30.6 -25.1 -17.6 61 64 A V E -D 101 0A 1 7,-0.4 7,-2.5 -2,-0.3 2,-0.5 -0.992 24.7-165.0-132.3 121.7 30.9 -26.3 -14.1 62 65 A V E +DE 100 67A 21 38,-3.2 38,-3.0 -2,-0.4 2,-0.4 -0.938 13.7 168.7-116.4 126.2 33.4 -29.0 -13.2 63 66 A I E > S- E 0 66A 3 3,-2.6 3,-1.4 -2,-0.5 36,-0.1 -0.994 76.7 -1.2-133.1 130.3 33.5 -31.0 -10.0 64 67 A N T 3 S- 0 0 113 34,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.871 130.7 -59.2 56.9 39.3 35.8 -34.1 -9.6 65 68 A G T 3 S+ 0 0 62 1,-0.2 2,-0.4 -3,-0.0 -1,-0.2 0.523 118.9 100.1 72.7 6.5 37.0 -33.7 -13.2 66 69 A Q E < S-E 63 0A 142 -3,-1.4 -3,-2.6 0, 0.0 -1,-0.2 -0.964 75.6-112.8-126.4 143.0 33.4 -34.0 -14.7 67 70 A E E -E 62 0A 132 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.424 36.8-160.4 -66.2 143.9 30.9 -31.4 -15.9 68 71 A V - 0 0 19 -7,-2.5 -7,-0.4 -2,-0.1 2,-0.2 -0.843 23.0 -90.0-127.1 163.3 27.8 -31.1 -13.8 69 72 A K + 0 0 164 -2,-0.3 17,-2.9 17,-0.2 2,-0.3 -0.470 47.4 164.0 -73.5 140.6 24.3 -29.7 -14.2 70 73 A Y E -J 85 0B 82 15,-0.2 2,-0.3 -2,-0.2 15,-0.2 -0.952 18.3-155.3-147.9 163.7 23.6 -26.1 -13.3 71 74 A A E -J 84 0B 57 13,-2.1 13,-3.0 -2,-0.3 2,-0.6 -0.991 10.4-142.1-147.1 135.2 20.8 -23.6 -14.0 72 75 A L E -J 83 0B 76 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.879 24.0-145.6 -96.3 123.3 20.6 -19.8 -14.1 73 76 A G - 0 0 35 9,-3.2 3,-0.1 -2,-0.6 2,-0.1 -0.158 37.2 -67.2 -73.9 174.8 17.4 -18.4 -12.7 74 77 A E - 0 0 171 1,-0.1 -1,-0.2 7,-0.1 2,-0.1 -0.352 61.6 -97.1 -60.3 142.3 15.6 -15.3 -14.0 75 78 A R - 0 0 97 6,-0.2 2,-0.4 1,-0.1 6,-0.2 -0.390 28.5-155.5 -63.3 136.2 17.4 -12.0 -13.4 76 79 A Q > - 0 0 92 4,-3.1 3,-1.8 1,-0.4 4,-0.2 -0.631 40.7-103.9-114.9 69.5 16.3 -10.2 -10.3 77 80 A S G > S- 0 0 84 -2,-0.4 3,-1.9 1,-0.3 -1,-0.4 -0.140 96.5 -0.9 52.9-134.4 17.2 -6.6 -11.3 78 81 A Y G 3 S+ 0 0 32 1,-0.3 -1,-0.3 -3,-0.1 57,-0.0 0.689 127.5 67.5 -60.8 -21.6 20.3 -5.3 -9.5 79 82 A K G < S- 0 0 22 -3,-1.8 -26,-0.3 1,-0.2 -1,-0.3 0.671 95.6-147.4 -72.2 -17.0 20.8 -8.6 -7.6 80 83 A G < - 0 0 0 -3,-1.9 -4,-3.1 -4,-0.2 -26,-0.3 -0.509 34.4 -41.7 82.9-152.4 21.6 -10.5 -10.9 81 84 A S E -H 53 0B 21 -28,-1.8 -28,-0.7 -6,-0.2 2,-0.2 -0.956 51.1-124.2-122.3 131.5 20.7 -14.1 -11.5 82 85 A P E -H 52 0B 25 0, 0.0 -9,-3.2 0, 0.0 2,-0.6 -0.496 19.7-150.6 -74.0 141.3 20.9 -17.1 -9.1 83 86 A M E -HJ 51 72B 0 -32,-2.8 -32,-2.6 -11,-0.2 2,-0.5 -0.953 6.9-159.7-116.2 111.1 23.0 -20.0 -10.3 84 87 A E E -HJ 50 71B 95 -13,-3.0 -13,-2.1 -2,-0.6 2,-0.5 -0.807 5.5-160.6 -92.1 128.8 22.0 -23.4 -8.9 85 88 A I E -HJ 49 70B 0 -36,-3.4 -36,-1.7 -2,-0.5 2,-0.6 -0.943 11.1-141.5-111.6 128.2 24.6 -26.1 -9.1 86 89 A S E -H 48 0B 56 -17,-2.9 -38,-0.2 -2,-0.5 -17,-0.2 -0.786 21.0-137.3 -87.4 117.8 23.7 -29.8 -8.9 87 90 A L E - 0 0 17 -40,-2.7 3,-0.1 -2,-0.6 -18,-0.0 -0.551 2.8-141.0 -77.0 139.4 26.3 -31.6 -6.8 88 91 A P E S+ 0 0 67 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.762 88.2 27.6 -74.2 -21.8 27.3 -35.0 -8.2 89 92 A I E S- 0 0 112 -43,-0.1 2,-0.1 -42,-0.0 -43,-0.0 -0.997 91.4-109.0-140.3 131.6 27.5 -36.6 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114.5 48.6 -65.8 -42.1 27.2 -4.3 27.5 427 430 A S H >< S+ 0 0 74 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.963 114.5 44.7 -60.9 -52.0 29.6 -7.1 28.4 428 431 A Y H 3< S+ 0 0 83 -4,-3.3 3,-0.3 1,-0.3 -2,-0.2 0.877 122.4 37.0 -60.9 -42.7 32.7 -4.9 28.2 429 432 A F T >< S+ 0 0 12 -4,-2.4 3,-2.9 -5,-0.3 -1,-0.3 -0.162 74.6 137.6-102.0 37.7 31.1 -2.0 30.1 430 433 A K G X S+ 0 0 124 -3,-1.4 3,-0.9 1,-0.3 -1,-0.2 0.786 70.1 57.9 -59.4 -26.4 29.1 -4.3 32.5 431 434 A D G 3 S+ 0 0 133 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.409 110.3 45.9 -78.7 2.1 30.1 -2.0 35.5 432 435 A K G <> S+ 0 0 68 -3,-2.9 4,-2.3 -6,-0.2 3,-0.5 0.070 70.4 119.5-131.9 23.2 28.4 0.8 33.6 433 436 A V H <> S+ 0 0 45 -3,-0.9 4,-3.1 1,-0.2 5,-0.2 0.852 73.0 60.7 -58.8 -37.4 25.1 -0.9 32.5 434 437 A D H 4 S+ 0 0 107 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.896 109.3 42.3 -55.8 -42.7 23.1 1.7 34.4 435 438 A V H >4 S+ 0 0 31 -3,-0.5 3,-1.2 2,-0.2 4,-0.4 0.879 113.4 52.4 -70.0 -43.2 24.6 4.4 32.2 436 439 A L H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.3 -2,-0.2 0.853 102.2 60.6 -60.9 -37.1 24.1 2.3 29.1 437 440 A N T 3< S+ 0 0 101 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.586 93.0 66.8 -68.5 -9.6 20.5 1.8 30.0 438 441 A Q T < S+ 0 0 132 -3,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.711 79.9 99.2 -79.6 -22.2 20.0 5.6 29.7 439 442 A V S < S- 0 0 7 -3,-1.3 2,-1.6 -4,-0.4 3,-0.2 -0.420 79.8-128.1 -65.9 136.7 20.7 5.4 25.9 440 443 A D > + 0 0 86 1,-0.2 4,-2.6 -2,-0.1 3,-0.2 -0.662 35.4 176.0 -85.7 83.7 17.6 5.5 23.8 441 444 A W H > S+ 0 0 24 -2,-1.6 4,-2.7 1,-0.2 5,-0.5 0.890 73.0 54.8 -60.4 -43.7 18.6 2.4 21.8 442 445 A N H >>S+ 0 0 104 -3,-0.2 4,-1.8 1,-0.2 5,-0.5 0.892 113.4 41.9 -58.5 -42.2 15.4 2.3 19.8 443 446 A A H >5S+ 0 0 15 -3,-0.2 4,-1.6 3,-0.2 -2,-0.2 0.966 116.6 46.1 -69.2 -55.5 15.8 5.9 18.6 444 447 A W H <5S+ 0 0 1 -4,-2.6 -82,-0.4 1,-0.2 -2,-0.2 0.894 126.3 28.2 -53.4 -46.4 19.6 5.7 17.9 445 448 A L H <5S+ 0 0 2 -4,-2.7 -82,-2.5 -5,-0.2 -1,-0.2 0.811 134.8 20.7 -87.3 -34.1 19.5 2.4 16.0 446 449 A Y H <5S+ 0 0 87 -4,-1.8 -3,-0.2 -5,-0.5 -2,-0.1 0.542 97.5 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H X S+ 0 0 33 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.910 112.1 46.7 -58.9 -46.5 36.3 24.4 3.8 498 501 A E H X S+ 0 0 21 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.880 108.6 55.8 -67.2 -37.7 34.1 24.6 6.9 499 502 A F H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.937 111.8 44.5 -54.0 -47.3 33.4 28.3 6.3 500 503 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.898 111.3 52.5 -67.5 -40.4 32.1 27.2 2.8 501 504 A A H X S+ 0 0 8 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.886 110.2 49.0 -61.0 -40.2 30.1 24.3 4.3 502 505 A Q H < S+ 0 0 22 -4,-2.7 4,-0.4 2,-0.2 -2,-0.2 0.910 114.6 44.6 -62.2 -46.1 28.5 26.7 6.8 503 506 A T H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.907 107.7 57.5 -69.2 -39.8 27.6 29.2 4.1 504 507 A L H >< S+ 0 0 22 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.822 95.9 65.5 -61.7 -32.4 26.3 26.5 1.7 505 508 A Q T 3< S+ 0 0 49 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.722 107.6 40.8 -60.4 -22.2 23.9 25.4 4.4 506 509 A R T < S+ 0 0 109 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.245 100.4 173.2-109.6 11.0 22.1 28.8 4.0 507 510 A A < + 0 0 22 -3,-1.4 2,-0.2 -4,-0.2 35,-0.1 -0.374 43.1 61.4 -69.4 147.4 22.4 28.9 0.2 508 511 A P - 0 0 86 0, 0.0 34,-0.1 0, 0.0 31,-0.1 0.422 65.3-179.0 -78.6 153.1 21.4 30.7 -2.0 509 512 A L - 0 0 14 29,-0.3 -36,-0.1 -2,-0.2 5,-0.1 -0.714 47.1 -72.7-101.0 164.4 23.0 33.9 -1.0 510 513 A P >> - 0 0 73 0, 0.0 4,-1.6 0, 0.0 3,-0.7 -0.330 42.3-123.3 -57.1 143.9 22.5 37.1 -3.0 511 514 A L H 3> S+ 0 0 63 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.884 111.4 57.2 -55.4 -43.5 24.3 36.9 -6.4 512 515 A G H 3> S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.844 103.8 53.0 -57.3 -37.2 26.2 40.1 -5.6 513 516 A H H <> S+ 0 0 12 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.914 110.1 46.9 -63.3 -46.0 27.6 38.6 -2.4 514 517 A I H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 5,-0.2 0.916 111.0 52.0 -64.5 -43.4 29.0 35.6 -4.2 515 518 A K H X S+ 0 0 98 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.940 110.9 48.5 -57.3 -45.7 30.5 37.8 -6.9 516 519 A R H X S+ 0 0 44 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.892 106.2 57.2 -60.3 -42.8 32.1 39.8 -4.1 517 520 A M H X>S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.5 0.897 109.4 44.9 -54.7 -45.0 33.4 36.6 -2.5 518 521 A Q H X5S+ 0 0 34 -4,-2.1 4,-1.6 3,-0.2 -1,-0.2 0.912 111.5 55.0 -65.0 -40.3 35.2 35.7 -5.7 519 522 A E H <5S+ 0 0 140 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.925 122.3 24.8 -58.8 -46.7 36.5 39.3 -6.0 520 523 A V H <5S+ 0 0 22 -4,-2.7 -2,-0.2 1,-0.1 -1,-0.2 0.747 133.5 32.1 -95.4 -25.4 38.1 39.3 -2.5 521 524 A Y H <5S- 0 0 16 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.609 83.7-146.0-108.7 -17.0 38.8 35.6 -1.8 522 525 A N ><< + 0 0 82 -4,-1.6 3,-1.8 -5,-0.5 4,-0.3 0.882 30.3 168.1 50.7 49.1 39.5 34.3 -5.4 523 526 A F G > + 0 0 1 -6,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.740 65.9 73.7 -64.1 -21.7 38.0 30.9 -4.6 524 527 A N G 3 S+ 0 0 49 1,-0.2 -1,-0.3 -6,-0.1 -2,-0.1 0.769 92.1 57.8 -61.5 -22.3 38.1 30.1 -8.3 525 528 A A G < S+ 0 0 56 -3,-1.8 2,-0.4 2,-0.0 -1,-0.2 0.596 82.3 101.4 -84.1 -13.0 41.9 29.7 -8.0 526 529 A I < - 0 0 39 -3,-1.4 -4,-0.0 -4,-0.3 -3,-0.0 -0.601 45.3-176.9 -80.9 125.4 41.7 27.0 -5.3 527 530 A N + 0 0 138 -2,-0.4 2,-0.3 -246,-0.2 -1,-0.1 0.504 43.7 121.8 -99.9 -7.5 42.2 23.4 -6.6 528 531 A N > - 0 0 15 1,-0.2 4,-3.3 -247,-0.1 5,-0.3 -0.452 61.9-143.3 -51.1 115.0 41.6 21.7 -3.3 529 532 A S H > S+ 0 0 11 -251,-0.5 4,-2.3 -2,-0.3 -1,-0.2 0.812 94.3 51.0 -64.1 -36.1 38.7 19.5 -4.5 530 533 A E H > S+ 0 0 15 -252,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.937 116.6 41.4 -64.2 -47.4 36.7 19.6 -1.3 531 534 A I H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.947 115.6 48.6 -62.7 -52.0 36.9 23.4 -1.2 532 535 A R H X S+ 0 0 36 -4,-3.3 4,-2.8 1,-0.2 5,-0.2 0.916 109.7 55.1 -60.3 -41.6 36.3 23.8 -5.0 533 536 A F H X S+ 0 0 11 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.956 111.7 40.7 -51.2 -59.9 33.3 21.5 -4.7 534 537 A R H X S+ 0 0 12 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.880 114.4 53.9 -60.9 -38.4 31.5 23.4 -2.0 535 538 A W H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.934 110.3 45.8 -63.6 -45.3 32.4 26.8 -3.6 536 539 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.893 111.5 52.3 -66.4 -37.3 30.9 25.7 -7.0 537 540 A R H X S+ 0 0 59 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.925 110.2 49.5 -60.0 -44.7 27.8 24.4 -5.3 538 541 A L H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -29,-0.3 0.898 112.0 48.5 -61.4 -40.8 27.4 27.7 -3.6 539 542 A C H <>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 -2,-0.2 0.919 114.8 42.9 -66.2 -46.4 27.8 29.6 -6.9 540 543 A I H ><5S+ 0 0 2 -4,-2.5 3,-2.1 3,-0.2 -2,-0.2 0.931 113.6 50.7 -67.1 -48.2 25.3 27.5 -8.9 541 544 A Q H 3<5S+ 0 0 50 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.801 110.0 52.2 -58.2 -30.3 22.7 27.5 -6.0 542 545 A S T 3<5S- 0 0 4 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.254 119.9-114.9 -90.4 9.6 23.2 31.3 -5.9 543 546 A K T < 5 + 0 0 104 -3,-2.1 2,-0.9 1,-0.2 -3,-0.2 0.821 55.0 161.0 67.1 39.1 22.5 31.4 -9.7 544 547 A W > < - 0 0 23 -5,-2.5 3,-1.9 1,-0.2 4,-0.3 -0.815 23.9-164.7 -92.9 103.7 25.9 32.6 -11.0 545 548 A E G > S+ 0 0 107 -2,-0.9 3,-1.6 1,-0.3 -1,-0.2 0.783 84.3 68.7 -58.5 -29.9 26.0 31.7 -14.7 546 549 A D G 3 S+ 0 0 107 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.803 96.0 55.0 -56.8 -31.6 29.7 32.3 -14.7 547 550 A A G <> S+ 0 0 2 -3,-1.9 4,-3.0 1,-0.2 -1,-0.3 0.593 84.6 88.2 -82.3 -10.6 30.2 29.2 -12.6 548 551 A I H <> S+ 0 0 13 -3,-1.6 4,-2.7 -4,-0.3 5,-0.2 0.941 90.3 41.9 -56.3 -54.5 28.2 27.0 -15.0 549 552 A P H > S+ 0 0 78 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.844 115.4 52.5 -65.3 -28.8 31.2 25.9 -17.2 550 553 A L H > S+ 0 0 43 -4,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.939 112.1 44.5 -67.6 -46.1 33.4 25.5 -14.0 551 554 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.893 113.7 50.2 -65.9 -39.9 30.8 23.2 -12.4 552 555 A L H X S+ 0 0 11 -4,-2.7 4,-1.3 -5,-0.3 5,-0.2 0.924 111.2 50.0 -63.0 -43.9 30.3 21.3 -15.6 553 556 A K H X S+ 0 0 103 -4,-2.2 4,-2.7 -5,-0.2 3,-0.4 0.933 112.8 44.5 -60.4 -51.1 34.0 20.8 -16.0 554 557 A M H X S+ 0 0 17 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.896 110.1 56.4 -61.3 -39.1 34.5 19.6 -12.4 555 558 A A H < S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.789 120.6 28.0 -63.6 -30.2 31.5 17.2 -12.7 556 559 A T H < S+ 0 0 43 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.736 108.9 64.6-105.4 -30.6 32.9 15.5 -15.7 557 560 A E H < S+ 0 0 112 -4,-2.7 2,-0.3 -5,-0.2 -3,-0.1 0.635 117.4 24.8 -76.8 -14.4 36.7 15.7 -15.5 558 561 A Q < - 0 0 19 -4,-0.9 -297,-0.2 -5,-0.2 -282,-0.0 -0.917 67.5-154.1-135.8 167.8 36.6 13.6 -12.3 559 562 A G + 0 0 10 -299,-3.0 2,-0.5 -2,-0.3 -298,-0.1 0.140 37.5 142.3-132.8 18.2 33.9 11.1 -11.3 560 563 A R >> - 0 0 11 -300,-0.3 4,-2.8 1,-0.2 3,-2.1 -0.561 48.9-141.5 -62.5 118.3 34.0 10.9 -7.5 561 564 A M H 3> S+ 0 0 12 -298,-2.5 4,-1.8 -2,-0.5 -1,-0.2 0.813 96.9 67.4 -59.5 -35.4 30.3 10.5 -6.8 562 565 A K H 34 S+ 0 0 86 -299,-0.4 -1,-0.3 1,-0.2 -298,-0.1 0.798 118.7 23.6 -47.1 -35.8 30.6 12.7 -3.7 563 566 A F H <> S+ 0 0 0 -3,-2.1 4,-2.0 2,-0.1 -2,-0.2 0.845 121.6 52.6-102.0 -48.1 31.3 15.6 -6.1 564 567 A T H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.890 107.8 50.6 -61.9 -43.6 29.9 14.5 -9.5 565 568 A R H X S+ 0 0 55 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.949 114.3 39.6 -65.3 -51.2 26.3 13.7 -8.3 566 569 A P H > S+ 0 0 28 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.870 115.1 53.8 -71.2 -30.7 25.6 16.9 -6.3 567 570 A L H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.956 112.1 44.7 -64.1 -46.6 27.3 19.1 -9.0 568 571 A F H X S+ 0 0 2 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.924 114.3 49.3 -59.7 -45.2 25.1 17.5 -11.7 569 572 A K H X S+ 0 0 106 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.879 111.9 48.7 -61.4 -42.4 21.9 17.8 -9.5 570 573 A D H X S+ 0 0 15 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.928 111.5 49.5 -62.2 -47.0 22.7 21.5 -8.8 571 574 A L H < S+ 0 0 0 -4,-2.5 6,-0.3 1,-0.2 10,-0.3 0.833 111.6 49.0 -61.8 -35.3 23.3 22.2 -12.5 572 575 A A H < S+ 0 0 19 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.830 108.2 53.8 -72.4 -34.6 20.0 20.5 -13.3 573 576 A A H < S+ 0 0 81 -4,-1.8 2,-0.6 -5,-0.2 -2,-0.2 0.651 93.0 82.8 -76.8 -14.8 18.1 22.5 -10.7 574 577 A F S >X S- 0 0 7 -4,-1.0 4,-1.5 -3,-0.2 3,-1.2 -0.811 74.9-147.9 -92.8 116.9 19.4 25.8 -12.2 575 578 A D T 34 S+ 0 0 112 -2,-0.6 4,-0.5 1,-0.3 3,-0.4 0.877 95.2 56.2 -55.5 -37.8 17.2 26.7 -15.1 576 579 A K T 34 S+ 0 0 122 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.775 119.7 29.4 -66.3 -27.3 20.1 28.4 -17.0 577 580 A S T <> S+ 0 0 0 -3,-1.2 4,-2.7 -6,-0.3 -1,-0.2 0.448 91.7 100.4-111.1 -2.3 22.2 25.2 -16.9 578 581 A H H X S+ 0 0 77 -4,-1.5 4,-2.2 -3,-0.4 5,-0.2 0.907 85.1 42.9 -52.3 -53.2 19.5 22.5 -16.9 579 582 A D H > S+ 0 0 104 -4,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.910 115.9 47.9 -65.8 -43.1 19.6 21.6 -20.6 580 583 A Q H > S+ 0 0 86 2,-0.2 4,-2.7 -4,-0.2 -1,-0.2 0.873 109.2 54.4 -64.4 -39.3 23.4 21.6 -20.8 581 584 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 -10,-0.3 -2,-0.2 0.944 112.2 43.9 -54.8 -51.0 23.6 19.5 -17.6 582 585 A V H X S+ 0 0 24 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.924 115.5 48.0 -63.0 -47.1 21.3 16.9 -19.2 583 586 A R H X S+ 0 0 119 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.862 110.8 51.6 -61.4 -39.4 23.1 17.0 -22.6 584 587 A T H X S+ 0 0 17 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.937 110.5 47.6 -66.1 -46.8 26.5 16.7 -20.9 585 588 A Y H X S+ 0 0 4 -4,-2.4 4,-2.0 1,-0.2 3,-0.3 0.947 111.2 52.4 -56.1 -48.3 25.4 13.6 -18.9 586 589 A Q H < S+ 0 0 116 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.889 111.9 45.6 -55.7 -42.5 24.0 12.1 -22.2 587 590 A E H < S+ 0 0 145 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.785 120.6 37.4 -73.1 -29.4 27.3 12.7 -24.0 588 591 A H H >< S+ 0 0 67 -4,-1.8 3,-1.5 -3,-0.3 4,-0.3 0.609 90.3 94.5 -96.2 -15.7 29.5 11.3 -21.2 589 592 A K G >< S+ 0 0 94 -4,-2.0 3,-1.1 1,-0.3 -1,-0.1 0.781 81.0 52.2 -53.6 -41.6 27.3 8.5 -20.0 590 593 A A G 3 S+ 0 0 99 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.745 114.3 43.6 -69.3 -24.6 28.8 5.7 -22.1 591 594 A S G < S+ 0 0 56 -3,-1.5 -1,-0.2 -4,-0.1 -2,-0.2 0.261 97.5 97.2-106.5 10.2 32.3 6.5 -20.9 592 595 A M S < S- 0 0 36 -3,-1.1 -36,-0.0 -4,-0.3 -331,-0.0 -0.453 92.0 -81.6 -88.7 166.8 31.4 6.9 -17.3 593 596 A H > - 0 0 3 -332,-0.2 4,-3.6 -2,-0.1 5,-0.2 -0.514 44.4-124.1 -62.2 135.1 31.7 4.4 -14.5 594 597 A P H > S+ 0 0 40 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.820 109.3 44.3 -59.2 -34.1 28.6 2.1 -14.7 595 598 A V H > S+ 0 0 6 -485,-0.3 4,-2.6 2,-0.2 5,-0.2 0.927 116.6 46.3 -73.5 -47.0 27.4 2.7 -11.1 596 599 A T H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.917 112.2 51.7 -58.6 -45.3 28.1 6.5 -11.4 597 600 A A H X S+ 0 0 6 -4,-3.6 4,-2.1 1,-0.2 -1,-0.2 0.923 111.4 48.0 -58.2 -44.4 26.3 6.5 -14.8 598 601 A M H X S+ 0 0 57 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.933 114.6 43.9 -62.4 -48.0 23.3 4.8 -13.3 599 602 A L H X S+ 0 0 3 -4,-2.6 4,-3.2 2,-0.2 -2,-0.2 0.887 113.0 48.9 -71.3 -41.5 23.0 7.1 -10.3 600 603 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.929 111.0 53.6 -61.8 -45.5 23.5 10.4 -12.1 601 604 A G H X>S+ 0 0 4 -4,-2.1 5,-2.1 -5,-0.3 4,-0.8 0.931 112.1 43.5 -49.0 -52.8 20.9 9.2 -14.6 602 605 A K H ><5S+ 0 0 133 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.938 112.8 52.8 -60.1 -47.8 18.4 8.5 -11.7 603 606 A D H 3<5S+ 0 0 32 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.878 115.8 40.0 -53.1 -42.8 19.4 11.9 -10.1 604 607 A L H 3<5S- 0 0 17 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.532 105.9-127.8 -86.1 -7.9 18.7 13.7 -13.3 605 608 A K T <<5 0 0 196 -3,-0.9 -3,-0.2 -4,-0.8 -4,-0.1 0.905 360.0 360.0 55.4 44.5 15.6 11.7 -14.2 606 609 A V < 0 0 84 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.785 360.0 360.0-113.2 360.0 16.9 10.9 -17.6