==== 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 3FU0 . COMPND 2 MOLECULE: LEUKOTRIENE A-4 HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.R.DAVIES . 607 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24059.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 437 72.0 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 . 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 . 191 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 0 4 2 2 1 2 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 0 163 0, 0.0 2,-1.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 118.6 19.6 13.5 -6.1 2 5 A D > - 0 0 18 1,-0.2 3,-1.7 305,-0.1 305,-0.0 -0.721 360.0-172.5 -88.9 101.9 21.5 11.4 -3.5 3 6 A T T 3 S+ 0 0 44 -2,-1.1 -1,-0.2 1,-0.3 304,-0.0 0.579 80.1 62.4 -75.5 -5.0 18.8 9.9 -1.4 4 7 A C T 3 S+ 0 0 0 -3,-0.1 2,-0.3 364,-0.0 -1,-0.3 0.579 96.5 72.7 -89.9 -9.5 21.3 8.5 1.1 5 8 A S < - 0 0 19 -3,-1.7 141,-0.1 1,-0.1 139,-0.1 -0.817 52.8-168.9-113.9 146.0 22.5 11.9 2.0 6 9 A L + 0 0 34 -2,-0.3 -1,-0.1 73,-0.2 138,-0.1 0.407 61.8 102.0-105.3 -1.5 20.9 14.7 4.1 7 10 A A S S- 0 0 13 1,-0.2 44,-0.2 136,-0.1 -2,-0.1 -0.278 89.3 -76.6 -77.4 164.1 23.5 17.3 3.1 8 11 A S - 0 0 13 42,-2.7 -1,-0.2 1,-0.1 44,-0.1 -0.362 60.6-112.6 -50.9 136.2 23.2 20.2 0.6 9 12 A P >> - 0 0 63 0, 0.0 3,-2.3 0, 0.0 4,-1.8 -0.308 23.7-102.4 -78.1 166.0 23.6 18.6 -2.9 10 13 A A T 34 S+ 0 0 18 1,-0.3 -2,-0.1 2,-0.2 134,-0.0 0.683 120.5 63.9 -59.0 -20.8 26.5 19.2 -5.2 11 14 A S T 34 S+ 0 0 83 1,-0.1 -1,-0.3 30,-0.0 3,-0.1 0.628 108.7 40.3 -78.3 -12.2 24.3 21.6 -7.2 12 15 A V T <4 S- 0 0 22 -3,-2.3 30,-3.2 1,-0.4 31,-0.5 0.842 132.2 -20.8-100.9 -54.4 24.1 24.0 -4.2 13 16 A C E < -A 41 0A 1 -4,-1.8 -1,-0.4 28,-0.3 2,-0.4 -0.982 57.9-148.3-151.4 160.9 27.7 23.9 -2.7 14 17 A R E -A 40 0A 88 26,-2.3 26,-2.9 -2,-0.3 2,-0.3 -0.985 16.4-127.6-141.8 131.6 30.6 21.6 -2.9 15 18 A T E +A 39 0A 4 -2,-0.4 24,-0.2 24,-0.2 135,-0.1 -0.586 24.2 178.0 -70.3 130.6 33.4 20.7 -0.5 16 19 A K E + 0 0 76 22,-3.2 136,-2.1 -2,-0.3 2,-0.3 0.700 64.1 7.6-103.3 -29.7 36.8 21.2 -2.2 17 20 A H E -Ab 38 152A 48 21,-1.2 21,-2.8 134,-0.3 2,-0.5 -0.988 53.7-154.4-157.0 144.0 39.1 20.3 0.8 18 21 A L E -Ab 37 153A 2 134,-1.9 136,-2.2 -2,-0.3 2,-0.6 -0.994 4.8-167.7-120.2 124.0 39.0 19.0 4.3 19 22 A H E -Ab 36 154A 48 17,-2.5 17,-3.0 -2,-0.5 2,-0.5 -0.970 14.9-165.7-105.5 116.9 41.7 19.7 6.8 20 23 A L E +Ab 35 155A 5 134,-2.3 136,-2.5 -2,-0.6 2,-0.5 -0.891 14.8 177.6-106.5 124.1 41.3 17.4 9.8 21 24 A R E +Ab 34 156A 105 13,-2.6 13,-2.9 -2,-0.5 2,-0.3 -0.985 26.6 148.1-120.3 114.1 43.1 18.0 13.1 22 25 A C E -Ab 33 157A 10 134,-2.5 136,-2.8 -2,-0.5 2,-0.4 -0.947 39.0-141.0-146.5 167.6 42.1 15.3 15.6 23 26 A S E -Ab 32 158A 39 9,-1.8 9,-2.1 -2,-0.3 2,-0.7 -0.982 20.5-133.9-130.8 138.7 43.2 13.3 18.6 24 27 A V E -A 31 0A 0 134,-2.8 2,-0.8 -2,-0.4 7,-0.2 -0.866 18.4-165.7 -99.8 112.0 42.4 9.6 19.2 25 28 A D E >> +A 30 0A 43 5,-3.1 5,-1.9 -2,-0.7 4,-1.2 -0.819 12.4 177.6-104.3 97.2 41.3 9.0 22.8 26 29 A F T 45S+ 0 0 35 -2,-0.8 -1,-0.2 1,-0.2 101,-0.1 0.725 79.1 62.3 -69.5 -22.4 41.3 5.3 23.5 27 30 A T T 45S+ 0 0 136 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.879 120.9 23.2 -73.2 -35.3 40.2 5.9 27.2 28 31 A R T 45S- 0 0 112 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.468 103.6-125.9-102.4 -5.7 36.9 7.4 26.0 29 32 A R T <5 + 0 0 93 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.953 66.9 127.8 53.9 52.5 36.8 5.7 22.6 30 33 A T E < -A 25 0A 4 -5,-1.9 -5,-3.1 77,-0.0 2,-0.5 -0.975 57.0-144.3-136.1 152.2 36.4 9.1 20.9 31 34 A L E -A 24 0A 2 -2,-0.3 74,-2.2 -7,-0.2 2,-0.4 -0.971 30.4-173.2-108.7 127.0 38.0 11.0 18.1 32 35 A T E +AC 23 104A 55 -9,-2.1 -9,-1.8 -2,-0.5 2,-0.3 -0.988 27.8 72.3-126.2 132.2 38.0 14.8 19.0 33 36 A G E -AC 22 103A 15 70,-2.3 70,-2.6 -2,-0.4 2,-0.4 -0.959 68.4 -48.1 169.0-146.6 39.0 17.7 16.9 34 37 A T E -AC 21 102A 13 -13,-2.9 -13,-2.6 -2,-0.3 2,-0.6 -0.979 23.3-161.0-131.0 138.7 38.2 20.0 14.1 35 38 A A E -AC 20 101A 0 66,-2.1 66,-2.9 -2,-0.4 2,-0.8 -0.983 12.9-162.7-113.4 113.7 37.2 19.5 10.5 36 39 A A E -AC 19 100A 14 -17,-3.0 -17,-2.5 -2,-0.6 2,-0.6 -0.894 9.3-165.0-101.1 107.2 37.9 22.6 8.4 37 40 A L E -AC 18 99A 3 62,-2.7 62,-2.7 -2,-0.8 2,-0.7 -0.848 13.9-150.2 -95.6 121.7 35.9 22.3 5.2 38 41 A T E -AC 17 98A 31 -21,-2.8 -22,-3.2 -2,-0.6 -21,-1.2 -0.835 27.9-168.9 -84.9 115.6 36.7 24.6 2.3 39 42 A V E -AC 15 97A 4 58,-2.8 58,-2.3 -2,-0.7 2,-0.5 -0.904 15.2-153.2-117.1 133.7 33.3 24.9 0.6 40 43 A Q E -AC 14 96A 29 -26,-2.9 -26,-2.3 -2,-0.4 56,-0.2 -0.915 17.4-132.3-105.9 120.9 32.5 26.4 -2.8 41 44 A S E -A 13 0A 0 54,-2.6 53,-3.0 -2,-0.5 -28,-0.3 -0.488 17.3-173.8 -65.4 138.6 29.1 28.0 -3.4 42 45 A Q + 0 0 34 -30,-3.2 2,-0.3 51,-0.2 -29,-0.2 0.246 67.8 64.7-108.5 7.1 27.4 26.8 -6.6 43 46 A E S > S- 0 0 79 -31,-0.5 3,-0.6 49,-0.2 2,-0.2 -0.956 85.0-109.0-129.2 147.7 24.6 29.3 -6.1 44 47 A D T 3 S+ 0 0 120 -2,-0.3 48,-0.2 1,-0.2 47,-0.1 -0.507 99.1 9.0 -65.5 141.4 24.1 33.0 -6.0 45 48 A N T 3 S- 0 0 78 46,-0.4 2,-0.5 1,-0.2 -1,-0.2 0.853 79.9-177.7 60.3 45.2 23.2 34.5 -2.6 46 49 A L E < +H 91 0B 8 45,-2.4 45,-2.2 -3,-0.6 -1,-0.2 -0.619 12.9 167.9 -82.4 123.5 23.9 31.3 -0.6 47 50 A R E + 0 0 156 -2,-0.5 40,-1.9 1,-0.2 2,-0.3 0.425 58.8 14.4-119.6 -3.0 23.2 31.9 3.1 48 51 A S E -H 86 0B 47 38,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.990 55.4-164.9-160.5 162.6 23.2 28.4 4.6 49 52 A L E -H 85 0B 3 36,-1.8 36,-2.9 -2,-0.3 2,-0.4 -0.988 15.2-131.1-150.8 162.6 24.1 24.9 4.0 50 53 A V E -H 84 0B 31 -2,-0.3 -42,-2.7 34,-0.2 2,-0.3 -0.942 17.0-168.7-118.6 136.0 23.5 21.4 5.4 51 54 A L E -H 83 0B 2 32,-2.7 32,-2.9 -2,-0.4 2,-0.3 -0.872 25.1-113.5-115.2 154.3 26.0 18.7 6.3 52 55 A D E +HI 82 143B 0 91,-2.8 91,-1.5 -2,-0.3 2,-0.3 -0.624 39.5 166.9 -79.6 144.0 25.6 15.0 7.2 53 56 A T E -H 81 0B 1 28,-0.7 28,-1.6 26,-0.3 2,-0.3 -0.958 17.5-167.1-147.1 164.6 26.4 13.9 10.7 54 57 A K S S- 0 0 14 84,-1.4 52,-0.3 -2,-0.3 56,-0.1 -0.790 75.5 -21.8-159.0 109.2 25.7 10.7 12.8 55 58 A D S S+ 0 0 66 -2,-0.3 51,-0.6 1,-0.2 2,-0.3 0.823 94.2 145.9 60.8 32.9 26.1 10.4 16.5 56 59 A L E -D 105 0A 12 49,-0.2 2,-0.6 25,-0.1 -1,-0.2 -0.788 46.0-139.8 -97.6 143.8 28.6 13.4 16.5 57 60 A T E -D 104 0A 83 47,-3.1 47,-1.8 -2,-0.3 2,-0.6 -0.930 18.2-154.4-101.8 121.1 28.8 15.9 19.3 58 61 A I E +D 103 0A 20 -2,-0.6 45,-0.2 45,-0.2 3,-0.1 -0.883 19.3 175.7-103.1 122.7 29.2 19.4 17.9 59 62 A E E - 0 0 146 43,-2.4 2,-0.3 -2,-0.6 -1,-0.2 0.865 64.2 -28.5 -87.1 -46.9 30.9 22.0 20.2 60 63 A K E -D 102 0A 60 42,-1.1 42,-2.8 2,-0.0 2,-0.4 -0.984 44.1-135.8-166.2 160.3 31.0 24.9 17.8 61 64 A V E -D 101 0A 1 7,-0.4 7,-2.7 -2,-0.3 2,-0.5 -0.996 24.9-165.8-127.5 122.1 31.2 26.1 14.2 62 65 A V E +DE 100 67A 18 38,-2.9 38,-2.8 -2,-0.4 2,-0.4 -0.938 12.6 171.6-115.6 128.3 33.6 28.9 13.4 63 66 A I E > S- E 0 66A 4 3,-2.5 3,-1.9 -2,-0.5 36,-0.1 -0.998 75.4 -0.7-131.8 136.5 33.7 31.0 10.1 64 67 A N T 3 S- 0 0 113 34,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.820 131.2 -59.1 55.2 33.2 35.9 34.1 9.7 65 68 A G T 3 S+ 0 0 60 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.561 119.2 98.5 76.2 8.8 37.2 33.6 13.2 66 69 A Q E < S-E 63 0A 145 -3,-1.9 -3,-2.5 0, 0.0 -1,-0.2 -0.938 76.8-107.6-125.5 153.4 33.8 33.9 14.8 67 70 A E E -E 62 0A 134 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.539 37.6-162.5 -76.7 140.9 31.2 31.4 16.1 68 71 A V - 0 0 19 -7,-2.7 -7,-0.4 -2,-0.2 2,-0.2 -0.822 23.6 -93.4-123.6 163.3 28.1 31.0 13.9 69 72 A K + 0 0 165 -2,-0.3 17,-2.8 17,-0.3 2,-0.3 -0.492 46.2 163.4 -75.5 141.3 24.7 29.6 14.4 70 73 A Y E -J 85 0B 77 15,-0.2 2,-0.3 -2,-0.2 15,-0.2 -0.947 17.8-156.0-147.2 164.1 23.9 26.0 13.4 71 74 A A E -J 84 0B 56 13,-2.2 13,-2.7 -2,-0.3 2,-0.4 -0.973 10.9-139.7-148.4 138.4 21.2 23.5 14.3 72 75 A L E -J 83 0B 78 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.799 23.0-145.2 -95.4 130.2 21.0 19.7 14.3 73 76 A G - 0 0 34 9,-3.0 3,-0.1 -2,-0.4 2,-0.1 -0.273 37.0 -67.9 -84.7 177.1 17.8 18.2 13.0 74 77 A E - 0 0 176 1,-0.1 -1,-0.2 7,-0.1 2,-0.0 -0.368 61.7 -96.1 -63.9 142.8 16.0 15.0 14.2 75 78 A R - 0 0 105 6,-0.2 2,-0.5 1,-0.1 6,-0.2 -0.330 26.5-154.2 -60.8 137.9 17.8 11.7 13.5 76 79 A Q > - 0 0 94 4,-2.9 3,-2.3 1,-0.4 4,-0.2 -0.610 41.1-107.5-113.8 68.2 16.7 9.9 10.4 77 80 A S G > S+ 0 0 81 -2,-0.5 3,-1.6 1,-0.3 -1,-0.4 -0.158 96.8 2.0 45.3-126.3 17.6 6.4 11.4 78 81 A Y G 3 S+ 0 0 32 1,-0.3 -1,-0.3 -3,-0.1 57,-0.0 0.625 127.5 65.6 -64.5 -16.1 20.7 5.1 9.6 79 82 A K G < S- 0 0 20 -3,-2.3 -26,-0.3 1,-0.3 -1,-0.3 0.625 95.9-149.3 -79.9 -14.9 21.1 8.5 7.7 80 83 A G < - 0 0 0 -3,-1.6 -4,-2.9 -4,-0.2 -26,-0.3 -0.441 33.3 -38.6 81.0-151.6 21.9 10.3 10.9 81 84 A S E -H 53 0B 18 -28,-1.6 -28,-0.7 -6,-0.2 2,-0.2 -0.939 51.0-126.4-120.9 129.7 21.1 13.9 11.6 82 85 A P E -H 52 0B 23 0, 0.0 -9,-3.0 0, 0.0 2,-0.5 -0.488 17.8-151.0 -74.4 144.0 21.3 16.9 9.3 83 86 A M E -HJ 51 72B 0 -32,-2.9 -32,-2.7 -11,-0.2 2,-0.5 -0.952 7.0-162.7-118.9 111.9 23.4 19.9 10.4 84 87 A E E -HJ 50 71B 94 -13,-2.7 -13,-2.2 -2,-0.5 2,-0.4 -0.835 5.5-162.8 -98.9 128.6 22.3 23.3 9.1 85 88 A I E -HJ 49 70B 0 -36,-2.9 -36,-1.8 -2,-0.5 2,-0.7 -0.943 13.1-140.0-116.6 130.9 24.9 26.1 9.4 86 89 A S E -H 48 0B 48 -17,-2.8 -17,-0.3 -2,-0.4 -38,-0.2 -0.817 21.5-138.4 -92.2 113.6 23.9 29.7 9.0 87 90 A L E - 0 0 17 -40,-1.9 3,-0.1 -2,-0.7 -17,-0.0 -0.523 4.3-138.9 -73.9 142.1 26.6 31.5 7.0 88 91 A P E S+ 0 0 71 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.761 88.6 28.9 -73.7 -25.6 27.6 35.0 8.4 89 92 A I E S- 0 0 110 -43,-0.1 -43,-0.1 0, 0.0 -2,-0.0 -0.997 90.8-109.1-136.4 132.1 27.8 36.6 4.9 90 93 A A E - 0 0 31 -2,-0.3 2,-0.4 -3,-0.1 -43,-0.2 -0.288 37.0-136.5 -58.9 140.3 25.8 35.6 1.7 91 94 A L E -H 46 0B 6 -45,-2.2 -45,-2.4 -47,-0.1 -46,-0.4 -0.797 4.9-140.0-107.2 140.3 28.1 33.9 -0.9 92 95 A S > - 0 0 59 -2,-0.4 3,-1.7 -48,-0.2 -51,-0.2 -0.436 48.6 -69.8 -86.4 167.6 28.1 34.5 -4.6 93 96 A K T 3 S+ 0 0 127 1,-0.2 -51,-0.2 -51,-0.2 -1,-0.2 -0.387 121.1 11.3 -61.6 134.2 28.5 31.6 -7.1 94 97 A N T 3 S+ 0 0 93 -53,-3.0 -1,-0.2 1,-0.3 2,-0.2 0.279 90.5 137.1 80.8 -5.6 32.0 30.1 -7.0 95 98 A Q < - 0 0 76 -3,-1.7 -54,-2.6 -55,-0.1 2,-0.4 -0.498 42.0-148.6 -70.1 138.9 33.0 32.0 -3.8 96 99 A E E +C 40 0A 100 -56,-0.2 2,-0.3 -2,-0.2 -56,-0.2 -0.903 18.4 175.8-112.0 137.2 34.9 29.7 -1.4 97 100 A I E -C 39 0A 20 -58,-2.3 -58,-2.8 -2,-0.4 2,-0.5 -0.903 27.5-123.5-127.2 165.0 34.9 29.9 2.4 98 101 A V E -C 38 0A 75 -2,-0.3 2,-0.5 -60,-0.2 -34,-0.5 -0.940 20.7-166.0-107.0 127.7 36.4 27.8 5.2 99 102 A I E -C 37 0A 1 -62,-2.7 -62,-2.7 -2,-0.5 2,-0.7 -0.958 5.3-158.2-112.7 116.0 34.1 26.4 7.8 100 103 A E E -CD 36 62A 76 -38,-2.8 -38,-2.9 -2,-0.5 2,-0.6 -0.833 8.8-169.6 -98.4 112.8 35.8 25.0 11.0 101 104 A I E -CD 35 61A 0 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76 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.871 114.8 51.9 -60.4 -35.2 31.7 -26.0 17.2 550 553 A L H X S+ 0 0 43 -4,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.943 113.5 44.7 -62.3 -46.6 33.9 -25.6 14.1 551 554 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.896 112.6 50.1 -66.2 -43.1 31.3 -23.4 12.5 552 555 A L H X S+ 0 0 17 -4,-3.0 4,-1.3 -5,-0.2 -1,-0.2 0.887 111.9 50.5 -59.2 -40.2 30.7 -21.4 15.7 553 556 A K H X S+ 0 0 113 -4,-2.2 4,-2.7 -5,-0.2 3,-0.3 0.932 111.6 44.6 -66.9 -48.6 34.5 -20.9 16.0 554 557 A M H X S+ 0 0 18 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.912 110.4 56.9 -62.0 -40.3 35.0 -19.7 12.4 555 558 A A H < S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.816 120.1 28.4 -58.7 -35.2 31.9 -17.4 12.8 556 559 A T H < S+ 0 0 43 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.667 108.4 66.0-105.1 -22.6 33.4 -15.6 15.8 557 560 A E H < S+ 0 0 114 -4,-2.7 2,-0.3 -5,-0.2 -3,-0.1 0.666 116.7 20.8 -78.5 -16.6 37.2 -15.8 15.4 558 561 A Q < - 0 0 20 -4,-1.0 -297,-0.3 -5,-0.2 -282,-0.0 -0.915 66.8-152.6-135.2 169.6 37.0 -13.6 12.3 559 562 A G + 0 0 10 -299,-2.8 2,-0.4 -2,-0.3 -298,-0.1 0.106 36.8 144.1-134.3 26.8 34.3 -11.2 11.2 560 563 A R >> - 0 0 12 -300,-0.3 4,-2.8 1,-0.2 3,-2.1 -0.549 49.3-139.0 -65.4 120.2 34.5 -10.9 7.5 561 564 A M H 3> S+ 0 0 12 -298,-2.5 4,-1.8 -2,-0.4 -1,-0.2 0.827 97.3 67.4 -58.8 -31.8 30.8 -10.6 6.7 562 565 A K H 34 S+ 0 0 84 -299,-0.4 -1,-0.3 1,-0.2 -298,-0.1 0.784 119.0 22.9 -54.0 -30.3 31.0 -12.9 3.7 563 566 A F H <> S+ 0 0 0 -3,-2.1 4,-1.8 3,-0.1 -2,-0.2 0.798 121.8 52.6-107.4 -46.2 31.7 -15.7 6.1 564 567 A T H X S+ 0 0 2 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.901 108.5 50.9 -62.4 -41.6 30.3 -14.6 9.5 565 568 A R H X S+ 0 0 53 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.962 113.1 40.6 -66.3 -50.5 26.8 -13.8 8.2 566 569 A P H > S+ 0 0 28 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.878 114.3 54.9 -67.0 -33.5 26.0 -17.0 6.3 567 570 A L H X S+ 0 0 2 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.973 111.0 43.4 -62.9 -51.2 27.6 -19.2 9.1 568 571 A F H X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.910 114.3 51.8 -57.5 -41.9 25.4 -17.6 11.8 569 572 A K H X S+ 0 0 102 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.911 112.2 45.6 -61.7 -41.4 22.4 -17.9 9.5 570 573 A D H X S+ 0 0 15 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.923 113.1 49.1 -67.3 -45.9 23.2 -21.6 8.9 571 574 A L H < S+ 0 0 0 -4,-2.9 6,-0.3 1,-0.2 10,-0.3 0.837 112.6 49.5 -60.6 -35.7 23.7 -22.3 12.6 572 575 A A H < S+ 0 0 20 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.836 108.4 52.4 -71.8 -32.9 20.5 -20.5 13.4 573 576 A A H < S+ 0 0 91 -4,-1.8 2,-0.6 -5,-0.2 -2,-0.2 0.689 94.4 81.9 -75.2 -19.5 18.6 -22.6 10.7 574 577 A F S >X S- 0 0 12 -4,-1.1 4,-1.5 1,-0.2 3,-1.2 -0.795 75.3-147.2 -89.3 117.0 19.8 -25.9 12.2 575 578 A D H 3> S+ 0 0 124 -2,-0.6 4,-0.5 1,-0.3 3,-0.4 0.880 95.1 57.1 -54.6 -38.3 17.6 -26.8 15.2 576 579 A K H 34 S+ 0 0 114 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.796 119.4 28.9 -63.5 -27.2 20.5 -28.5 17.0 577 580 A S H <> S+ 0 0 0 -3,-1.2 4,-2.4 -6,-0.3 -1,-0.2 0.467 90.7 99.8-113.3 -4.7 22.7 -25.3 17.0 578 581 A H H X S+ 0 0 77 -4,-1.5 4,-2.1 -3,-0.4 5,-0.2 0.911 85.9 45.1 -50.9 -54.2 20.0 -22.6 17.0 579 582 A D H X S+ 0 0 99 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.918 114.1 48.6 -60.6 -44.8 20.2 -21.8 20.7 580 583 A Q H > S+ 0 0 77 -4,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.853 108.6 56.2 -60.8 -38.1 24.0 -21.7 20.7 581 584 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -10,-0.3 -2,-0.2 0.951 111.7 40.2 -61.8 -48.8 24.1 -19.5 17.7 582 585 A V H X S+ 0 0 23 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.915 116.6 50.2 -70.1 -37.4 21.9 -16.8 19.3 583 586 A R H X S+ 0 0 122 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.893 111.2 49.4 -61.0 -43.7 23.7 -17.1 22.6 584 587 A T H X S+ 0 0 19 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.901 111.6 48.3 -64.3 -43.3 27.1 -16.9 20.9 585 588 A Y H X S+ 0 0 2 -4,-2.4 4,-2.3 -5,-0.2 3,-0.3 0.949 110.1 52.2 -61.8 -45.9 25.9 -13.8 19.0 586 589 A Q H < S+ 0 0 112 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.882 111.5 47.6 -59.2 -39.0 24.6 -12.2 22.3 587 590 A E H < S+ 0 0 143 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.829 120.0 35.8 -67.4 -35.0 28.0 -12.8 24.0 588 591 A H H >< S+ 0 0 63 -4,-1.7 3,-1.6 -3,-0.3 4,-0.5 0.659 90.2 95.2 -97.0 -17.3 30.1 -11.4 21.2 589 592 A K G >< S+ 0 0 68 -4,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.809 82.4 51.2 -45.8 -46.2 27.8 -8.6 20.1 590 593 A A G 3 S+ 0 0 97 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.773 114.5 43.6 -69.0 -24.8 29.5 -5.8 22.2 591 594 A S G < S+ 0 0 57 -3,-1.6 -1,-0.3 -4,-0.1 -2,-0.2 0.328 97.4 98.2-104.2 7.5 32.9 -6.6 20.9 592 595 A M S < S- 0 0 33 -3,-1.2 -36,-0.0 -4,-0.5 -331,-0.0 -0.423 90.5 -83.6 -87.0 166.7 31.9 -7.0 17.2 593 596 A H > - 0 0 3 -332,-0.2 4,-3.2 1,-0.1 5,-0.3 -0.508 44.7-123.5 -64.9 135.4 32.2 -4.5 14.5 594 597 A P H > S+ 0 0 42 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.827 108.6 44.6 -58.7 -35.7 29.1 -2.3 14.8 595 598 A V H > S+ 0 0 7 -485,-0.3 4,-2.4 2,-0.2 5,-0.2 0.930 114.4 48.8 -74.5 -44.0 27.9 -2.9 11.3 596 599 A T H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.934 110.8 52.1 -57.6 -44.6 28.5 -6.6 11.4 597 600 A A H X S+ 0 0 6 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.898 109.9 48.9 -55.8 -46.8 26.7 -6.7 14.8 598 601 A M H X S+ 0 0 56 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.923 114.1 44.4 -60.4 -48.2 23.7 -4.9 13.3 599 602 A L H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.891 113.2 48.8 -70.1 -38.9 23.4 -7.2 10.3 600 603 A V H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 5,-0.2 0.936 110.4 53.7 -66.6 -42.9 23.9 -10.5 12.1 601 604 A G H X>S+ 0 0 6 -4,-2.2 5,-2.5 -5,-0.3 4,-0.5 0.916 111.1 45.1 -52.0 -48.6 21.3 -9.3 14.6 602 605 A K H ><5S+ 0 0 124 -4,-2.0 3,-0.6 3,-0.2 -1,-0.2 0.886 112.6 50.9 -63.3 -42.2 18.8 -8.7 11.8 603 606 A D H 3<5S+ 0 0 34 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.938 115.2 42.5 -61.1 -46.0 19.7 -12.0 10.1 604 607 A L H 3<5S- 0 0 15 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.505 107.5-128.8 -75.8 -6.6 19.1 -13.9 13.5 605 608 A K T <<5 + 0 0 193 -3,-0.6 2,-0.5 -4,-0.5 -3,-0.2 0.898 55.5 153.9 51.6 44.3 16.0 -11.8 14.1 606 609 A V < 0 0 26 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.932 360.0 360.0-110.9 128.1 17.3 -11.0 17.6 607 610 A D 0 0 195 -2,-0.5 -5,-0.0 -3,-0.1 -6,-0.0 -0.943 360.0 360.0 129.0 360.0 16.5 -7.9 19.6