==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-DEC-00 1HS6 . COMPND 2 MOLECULE: LEUKOTRIENE A-4 HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.M.G.M.THUNNISSEN,P.N.NORDLUND,J.Z.HAEGGSTROM . 610 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23919.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 448 73.4 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 . 91 14.9 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 . 3 0.5 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 . 2 0.3 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 . 77 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.5 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 0 1 1 6 2 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 3 0 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 2 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 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 1 A P 0 0 179 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 38.2 -1.2 17.6 65.5 2 2 A E - 0 0 139 1,-0.0 2,-0.5 12,-0.0 0, 0.0 -0.469 360.0-158.7 -75.1 123.3 -2.6 21.2 65.1 3 3 A I - 0 0 53 -2,-0.4 2,-0.5 2,-0.0 -1,-0.0 -0.855 12.0-149.1-103.3 126.4 -0.5 24.3 65.9 4 4 A V - 0 0 99 -2,-0.5 2,-1.3 8,-0.1 306,-0.0 -0.820 12.7-145.4-103.3 130.8 -2.3 27.6 66.7 5 5 A D > - 0 0 19 -2,-0.5 3,-1.7 1,-0.2 305,-0.0 -0.733 16.4-171.7 -89.2 95.1 -1.1 31.1 66.0 6 6 A T T 3 S+ 0 0 32 -2,-1.3 365,-0.5 1,-0.3 -1,-0.2 0.399 79.6 61.7 -71.3 5.7 -2.6 32.7 69.0 7 7 A C T 3 S+ 0 0 1 363,-0.1 2,-0.4 364,-0.1 -1,-0.3 0.484 94.2 70.1-107.0 -5.3 -1.7 36.1 67.6 8 8 A S < - 0 0 19 -3,-1.7 141,-0.1 1,-0.1 139,-0.1 -0.888 51.8-166.7-115.6 147.2 -3.8 35.9 64.4 9 9 A L + 0 0 33 -2,-0.4 -1,-0.1 73,-0.2 138,-0.1 0.517 61.8 105.4-101.6 -10.7 -7.6 36.1 64.0 10 10 A A S S- 0 0 13 1,-0.2 44,-0.2 136,-0.1 137,-0.1 -0.002 87.9 -79.1 -65.3 165.6 -7.4 34.8 60.4 11 11 A S - 0 0 18 42,-2.8 -1,-0.2 1,-0.1 44,-0.1 -0.538 60.0-113.6 -66.6 134.7 -8.2 31.5 59.0 12 12 A P >> - 0 0 68 0, 0.0 3,-2.1 0, 0.0 4,-2.0 -0.133 21.8-103.0 -70.1 165.3 -5.3 29.1 59.8 13 13 A A T 34 S+ 0 0 13 1,-0.3 -2,-0.1 2,-0.2 134,-0.0 0.693 119.0 66.2 -61.2 -18.8 -3.0 27.5 57.3 14 14 A S T 34 S+ 0 0 44 1,-0.1 -1,-0.3 30,-0.0 3,-0.1 0.419 109.4 37.3 -84.3 2.3 -4.8 24.3 57.8 15 15 A V T <4 S- 0 0 21 -3,-2.1 30,-2.5 1,-0.6 31,-0.5 0.677 131.7 -18.0-115.8 -47.7 -7.9 25.8 56.2 16 16 A C E < -A 44 0A 2 -4,-2.0 -1,-0.6 28,-0.3 2,-0.4 -0.977 55.2-147.0-158.6 161.2 -6.6 28.0 53.4 17 17 A R E -A 43 0A 85 26,-2.3 26,-2.9 -2,-0.3 2,-0.4 -0.990 15.6-131.7-140.7 130.9 -3.3 29.6 52.4 18 18 A T E +A 42 0A 4 -2,-0.4 24,-0.3 24,-0.2 135,-0.1 -0.652 24.1 178.5 -78.4 132.3 -2.6 32.8 50.6 19 19 A K E + 0 0 74 22,-3.6 136,-2.5 -2,-0.4 2,-0.3 0.662 59.7 8.8-107.1 -23.2 -0.2 32.2 47.8 20 20 A H E -Ab 41 155A 44 21,-1.3 21,-3.0 134,-0.3 2,-0.4 -0.995 53.4-152.3-156.2 156.8 0.2 35.6 46.3 21 21 A L E -Ab 40 156A 3 134,-1.4 136,-2.8 -2,-0.3 2,-0.6 -0.996 2.8-164.5-135.6 128.3 -0.6 39.2 46.7 22 22 A H E -Ab 39 157A 46 17,-3.1 17,-3.5 -2,-0.4 2,-0.5 -0.976 18.1-170.7-112.8 117.3 -1.0 41.7 44.1 23 23 A L E +Ab 38 158A 11 134,-3.2 136,-3.1 -2,-0.6 2,-0.5 -0.939 16.8 170.0-118.4 121.8 -0.8 45.2 45.6 24 24 A R E +Ab 37 159A 106 13,-1.8 13,-2.7 -2,-0.5 2,-0.3 -0.998 25.5 142.3-126.7 124.6 -1.6 48.4 43.8 25 25 A C E -Ab 36 160A 11 134,-2.3 136,-3.1 -2,-0.5 2,-0.4 -0.985 38.7-129.9-159.3 165.4 -1.8 51.4 46.0 26 26 A S E -Ab 35 161A 33 9,-2.5 9,-2.3 -2,-0.3 2,-0.8 -0.980 17.5-132.1-129.4 141.6 -1.1 55.1 46.4 27 27 A V E -A 34 0A 0 134,-2.9 2,-0.9 -2,-0.4 7,-0.2 -0.804 18.5-168.8 -93.4 104.5 0.6 57.0 49.2 28 28 A D E >> +A 33 0A 44 5,-3.7 5,-3.1 -2,-0.8 4,-0.6 -0.818 9.5 176.5 -99.8 100.8 -1.4 60.1 50.3 29 29 A F T 45S+ 0 0 32 -2,-0.9 -1,-0.2 3,-0.2 101,-0.1 0.578 79.9 56.3 -74.8 -16.3 0.8 62.1 52.5 30 30 A T T 45S+ 0 0 106 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.875 120.3 29.5 -84.5 -39.3 -1.7 64.8 52.9 31 31 A R T 45S- 0 0 153 2,-0.1 -2,-0.2 79,-0.0 -1,-0.2 0.494 106.0-129.1 -92.0 -5.3 -4.3 62.5 54.1 32 32 A R T <5 + 0 0 91 -4,-0.6 2,-0.3 1,-0.2 -3,-0.2 0.930 64.3 135.2 52.3 53.9 -1.5 60.2 55.7 33 33 A T E < -A 28 0A 11 -5,-3.1 -5,-3.7 77,-0.0 2,-0.5 -0.968 55.8-150.2-138.2 155.0 -3.1 57.3 53.9 34 34 A L E -A 27 0A 4 -2,-0.3 74,-2.1 -7,-0.2 2,-0.4 -0.974 29.6-179.6-117.3 120.4 -2.4 54.2 51.9 35 35 A T E +AC 26 107A 56 -9,-2.3 -9,-2.5 -2,-0.5 2,-0.3 -0.972 23.6 71.8-129.2 144.3 -5.2 53.5 49.6 36 36 A G E -AC 25 106A 18 70,-3.0 70,-3.1 -2,-0.4 2,-0.4 -0.988 66.2 -45.0 164.0-152.6 -5.7 50.7 47.2 37 37 A T E -AC 24 105A 13 -13,-2.7 -13,-1.8 -2,-0.3 2,-0.7 -0.978 23.9-157.8-130.2 141.1 -6.4 47.1 46.4 38 38 A A E -AC 23 104A 0 66,-3.0 66,-1.7 -2,-0.4 2,-0.9 -0.916 10.9-166.1-116.0 103.2 -5.1 43.9 47.8 39 39 A A E -AC 22 103A 12 -17,-3.5 -17,-3.1 -2,-0.7 2,-0.5 -0.805 12.3-168.7 -94.0 109.9 -5.6 41.1 45.4 40 40 A L E -AC 21 102A 3 62,-3.3 62,-2.1 -2,-0.9 2,-0.8 -0.855 16.4-149.8-101.7 128.2 -5.0 37.9 47.3 41 41 A T E -AC 20 101A 32 -21,-3.0 -22,-3.6 -2,-0.5 -21,-1.3 -0.847 25.9-169.4 -95.9 117.9 -4.6 34.6 45.7 42 42 A V E -AC 18 100A 2 58,-2.8 58,-1.7 -2,-0.8 2,-0.5 -0.878 13.6-155.5-112.3 139.3 -5.9 32.1 48.2 43 43 A Q E -AC 17 99A 27 -26,-2.9 -26,-2.3 -2,-0.4 56,-0.3 -0.942 15.1-136.3-117.2 121.6 -5.7 28.3 48.2 44 44 A S E -A 16 0A 0 54,-3.4 53,-1.7 -2,-0.5 -28,-0.3 -0.386 15.5-173.0 -71.0 154.6 -8.2 26.1 50.0 45 45 A Q S S+ 0 0 42 -30,-2.5 2,-0.3 51,-0.2 51,-0.2 0.143 72.2 60.6-124.8 3.3 -7.0 23.1 52.0 46 46 A E S > S- 0 0 81 -31,-0.5 3,-0.6 49,-0.2 2,-0.3 -0.947 85.4-114.2-131.4 152.7 -10.5 21.9 52.7 47 47 A D T 3 S+ 0 0 90 -2,-0.3 48,-0.3 48,-0.3 3,-0.1 -0.638 98.8 22.8 -85.8 149.2 -13.3 20.8 50.5 48 48 A N T 3 S+ 0 0 80 46,-0.8 2,-0.8 -2,-0.3 -1,-0.2 0.897 73.9 176.2 67.8 39.3 -16.3 23.1 50.5 49 49 A L E < +H 94 0B 8 45,-3.5 45,-1.8 -3,-0.6 -1,-0.2 -0.707 8.0 163.7 -80.6 114.4 -14.6 26.2 51.6 50 50 A R E + 0 0 154 -2,-0.8 40,-3.7 1,-0.3 2,-0.3 0.657 59.5 16.0-103.3 -20.8 -17.3 28.8 51.5 51 51 A S E -H 89 0B 49 38,-0.2 -1,-0.3 43,-0.1 2,-0.3 -0.994 59.3-163.6-153.5 146.3 -15.9 31.6 53.7 52 52 A L E -H 88 0B 2 36,-1.7 36,-3.4 -2,-0.3 2,-0.4 -0.834 14.9-130.6-128.0 166.5 -12.6 32.8 55.1 53 53 A V E -H 87 0B 27 -2,-0.3 -42,-2.8 34,-0.2 2,-0.3 -0.967 18.6-169.3-121.0 136.3 -11.3 35.2 57.8 54 54 A L E -H 86 0B 3 32,-2.6 32,-3.3 -2,-0.4 2,-0.3 -0.827 23.2-116.7-116.9 157.7 -8.6 37.7 57.3 55 55 A D B +J 146 0C 0 91,-3.4 91,-1.9 -2,-0.3 2,-0.3 -0.732 38.2 165.2 -93.0 144.4 -6.8 39.8 59.9 56 56 A T - 0 0 2 28,-0.4 28,-2.1 -2,-0.3 2,-0.3 -0.981 19.1-165.9-150.3 157.7 -7.2 43.7 59.9 57 57 A K S S- 0 0 19 84,-2.1 52,-0.3 -2,-0.3 3,-0.1 -0.912 78.5 -16.3-149.6 117.6 -6.4 46.5 62.2 58 58 A D S S+ 0 0 61 -2,-0.3 51,-0.8 1,-0.2 2,-0.4 0.889 93.6 155.9 56.7 35.9 -7.8 50.0 61.8 59 59 A L E -D 108 0A 16 49,-0.2 2,-0.7 25,-0.1 -1,-0.2 -0.774 38.8-149.7-101.0 138.5 -8.6 49.1 58.3 60 60 A T E -D 107 0A 79 47,-3.0 47,-2.7 -2,-0.4 2,-0.7 -0.926 16.2-153.7-104.6 112.3 -11.3 50.9 56.3 61 61 A I E +D 106 0A 19 -2,-0.7 45,-0.3 45,-0.2 3,-0.1 -0.834 18.0 178.6 -94.0 117.3 -12.8 48.4 53.7 62 62 A E E - 0 0 124 43,-3.2 2,-0.3 -2,-0.7 -1,-0.2 0.980 66.2 -31.7 -73.8 -66.1 -14.3 50.0 50.6 63 63 A K E -D 105 0A 56 42,-0.5 42,-3.4 2,-0.0 2,-0.5 -0.979 45.6-134.3-153.1 164.3 -15.3 46.8 48.8 64 64 A V E -D 104 0A 1 7,-0.4 7,-2.9 -2,-0.3 2,-0.4 -0.945 27.9-169.2-122.3 105.8 -14.4 43.1 48.4 65 65 A V E +DE 103 70A 18 38,-2.7 38,-3.3 -2,-0.5 2,-0.4 -0.850 13.6 175.2-108.1 141.2 -14.5 41.8 44.8 66 66 A I E > S- E 0 69A 3 3,-3.0 3,-1.4 -2,-0.4 36,-0.1 -0.992 75.8 -6.0-138.1 123.1 -14.4 38.3 43.5 67 67 A N T 3 S- 0 0 111 34,-0.4 -1,-0.1 -2,-0.4 3,-0.1 0.957 129.3 -55.5 57.0 54.1 -14.8 37.4 39.8 68 68 A G T 3 S+ 0 0 62 1,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.373 121.8 102.0 63.2 -3.2 -15.6 41.0 38.9 69 69 A Q E < S-E 66 0A 138 -3,-1.4 -3,-3.0 0, 0.0 -1,-0.1 -0.914 74.6-117.7-118.8 140.1 -18.5 40.9 41.4 70 70 A E E -E 65 0A 131 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.367 35.0-154.5 -67.4 143.7 -18.7 42.4 44.9 71 71 A V - 0 0 28 -7,-2.9 -7,-0.4 -2,-0.1 2,-0.1 -0.775 19.8 -90.1-122.7 166.6 -19.1 39.9 47.7 72 72 A K + 0 0 165 -2,-0.3 17,-2.4 17,-0.2 2,-0.3 -0.431 50.6 162.7 -72.3 145.9 -20.6 39.8 51.3 73 73 A Y E -I 88 0B 77 15,-0.2 2,-0.3 -2,-0.1 15,-0.2 -0.994 20.6-156.7-161.3 160.9 -18.3 40.5 54.2 74 74 A A E -I 87 0B 48 13,-2.3 13,-1.9 -2,-0.3 2,-0.5 -0.975 12.5-145.1-144.6 155.9 -18.1 41.4 57.8 75 75 A L E -I 86 0B 74 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.983 23.9-149.6-119.2 112.2 -15.8 43.0 60.4 76 76 A G - 0 0 37 9,-3.4 2,-0.1 -2,-0.5 3,-0.1 -0.159 38.6 -72.7 -74.2 177.8 -16.0 41.5 63.8 77 77 A E - 0 0 166 1,-0.1 -1,-0.2 7,-0.1 0, 0.0 -0.488 60.8 -90.4 -74.9 151.9 -15.4 43.6 66.9 78 78 A R - 0 0 102 6,-0.2 2,-0.5 -2,-0.1 6,-0.2 -0.250 25.4-154.1 -59.1 139.7 -11.8 44.6 67.7 79 79 A Q > - 0 0 81 4,-3.0 3,-3.1 1,-0.3 4,-0.3 -0.694 40.9-112.2-116.5 69.8 -9.7 42.3 69.8 80 80 A S G > S+ 0 0 77 -2,-0.5 3,-1.8 1,-0.3 -1,-0.3 -0.035 96.8 8.7 38.0-118.5 -7.4 45.0 71.2 81 81 A Y G 3 S+ 0 0 36 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.564 125.0 63.9 -67.2 -13.6 -4.0 44.4 69.9 82 82 A K G < S- 0 0 28 -3,-3.1 -26,-0.3 1,-0.3 -1,-0.3 0.548 96.8-143.6 -85.5 -9.3 -5.0 41.8 67.4 83 83 A G < - 0 0 0 -3,-1.8 -4,-3.0 -4,-0.3 -1,-0.3 -0.437 39.4 -42.7 80.4-156.1 -7.2 44.2 65.5 84 84 A S - 0 0 21 -28,-2.1 -28,-0.4 -6,-0.2 2,-0.2 -0.934 51.1-120.2-122.4 132.6 -10.5 43.1 63.9 85 85 A P - 0 0 24 0, 0.0 -9,-3.4 0, 0.0 2,-0.7 -0.436 21.3-152.5 -67.6 131.3 -11.4 39.9 62.1 86 86 A M E -HI 54 75B 0 -32,-3.3 -32,-2.6 -11,-0.2 2,-0.5 -0.903 7.5-158.7-110.8 106.5 -12.7 40.3 58.6 87 87 A E E -HI 53 74B 94 -13,-1.9 -13,-2.3 -2,-0.7 2,-0.4 -0.687 6.7-161.5 -88.4 128.9 -14.9 37.5 57.4 88 88 A I E -HI 52 73B 0 -36,-3.4 -36,-1.7 -2,-0.5 2,-0.6 -0.914 11.1-137.5-115.5 136.4 -15.3 37.0 53.6 89 89 A S E -H 51 0B 49 -17,-2.4 -38,-0.2 -2,-0.4 -17,-0.2 -0.818 14.5-145.3 -94.4 119.4 -18.1 35.1 51.8 90 90 A L E - 0 0 15 -40,-3.7 4,-0.0 -2,-0.6 3,-0.0 -0.731 4.4-150.6 -88.0 127.0 -17.1 32.9 48.9 91 91 A P E S+ 0 0 78 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.541 86.2 40.6 -71.4 -8.2 -19.6 32.8 46.0 92 92 A I E S- 0 0 100 -43,-0.1 -43,-0.0 -42,-0.1 -2,-0.0 -0.986 90.5-115.3-140.1 128.4 -18.4 29.2 45.2 93 93 A A E - 0 0 33 -2,-0.3 2,-0.3 -45,-0.1 -43,-0.2 -0.413 37.4-142.1 -61.7 143.5 -17.6 26.4 47.7 94 94 A L E -H 49 0B 5 -45,-1.8 -45,-3.5 -47,-0.1 -46,-0.8 -0.773 10.5-153.6-106.3 154.3 -13.9 25.6 47.3 95 95 A S > - 0 0 39 -48,-0.3 3,-2.4 -2,-0.3 -48,-0.3 -0.758 44.6 -55.4-120.3 168.4 -12.3 22.2 47.5 96 96 A K T 3 S+ 0 0 119 -2,-0.3 -51,-0.2 1,-0.3 -1,-0.2 -0.009 121.8 4.6 -40.7 144.6 -8.9 21.2 48.4 97 97 A N T 3 S+ 0 0 107 -53,-1.7 2,-0.3 1,-0.2 -1,-0.3 0.448 96.9 129.9 58.7 2.8 -6.1 22.9 46.4 98 98 A Q < - 0 0 101 -3,-2.4 -54,-3.4 -52,-0.2 2,-0.4 -0.665 44.3-147.8 -88.5 147.6 -8.5 25.1 44.6 99 99 A E E -C 43 0A 109 -2,-0.3 2,-0.3 -56,-0.3 -56,-0.2 -0.936 17.1-178.8-124.4 141.3 -7.8 28.8 44.5 100 100 A I E -C 42 0A 17 -58,-1.7 -58,-2.8 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78 1,-0.1 3,-3.0 37,-0.0 4,-0.2 -0.987 52.7-101.8-162.0 158.8 43.5 57.6 84.1 488 488 A A G > S+ 0 0 55 1,-0.3 3,-2.2 -2,-0.3 4,-0.3 0.783 114.4 73.2 -56.5 -24.5 42.8 57.8 80.4 489 489 A T G > S+ 0 0 86 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.786 79.2 75.9 -63.2 -18.7 45.7 55.5 80.0 490 490 A D G < S+ 0 0 34 -3,-3.0 -1,-0.3 1,-0.2 3,-0.2 0.777 95.9 46.9 -59.4 -26.8 43.3 52.9 81.4 491 491 A L G X S+ 0 0 31 -3,-2.2 3,-1.8 -4,-0.2 -1,-0.2 0.390 80.8 112.7 -96.0 -1.2 41.6 52.9 78.0 492 492 A K T < S+ 0 0 158 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 0.818 85.6 25.7 -40.3 -59.2 44.8 52.6 75.9 493 493 A D T 3 S+ 0 0 130 -4,-0.3 2,-0.5 -3,-0.2 -1,-0.3 0.086 96.0 112.4-107.0 34.0 44.4 49.2 74.5 494 494 A L < - 0 0 28 -3,-1.8 2,-0.1 -27,-0.1 -3,-0.0 -0.884 55.7-143.5-106.0 130.0 40.6 48.9 74.6 495 495 A S > - 0 0 49 -2,-0.5 4,-2.2 1,-0.1 3,-0.3 -0.315 36.0-101.3 -77.5 172.9 38.6 48.8 71.4 496 496 A S H > S+ 0 0 30 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.871 126.1 59.6 -61.6 -32.8 35.2 50.5 71.3 497 497 A H H > S+ 0 0 57 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.868 107.3 44.0 -59.8 -40.8 33.8 47.0 71.7 498 498 A Q H > S+ 0 0 17 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.853 108.6 56.1 -75.3 -36.6 35.6 46.6 75.0 499 499 A L H X S+ 0 0 21 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.939 110.2 47.7 -58.4 -46.7 34.7 50.1 76.3 500 500 A N H X S+ 0 0 33 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.940 112.3 47.2 -59.2 -49.3 31.1 49.1 75.7 501 501 A E H X S+ 0 0 28 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.880 109.3 55.2 -64.0 -36.8 31.5 45.8 77.5 502 502 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.950 111.0 44.8 -59.1 -47.2 33.3 47.5 80.4 503 503 A L H X S+ 0 0 1 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.927 110.4 54.1 -64.1 -41.1 30.3 49.8 80.8 504 504 A A H X S+ 0 0 7 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.914 110.8 46.6 -60.0 -42.3 27.9 47.0 80.5 505 505 A Q H < S+ 0 0 22 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.911 113.3 48.2 -66.0 -41.6 29.6 45.2 83.3 506 506 A T H >< S+ 0 0 0 -4,-2.5 3,-1.9 -5,-0.2 -2,-0.2 0.939 108.1 55.9 -63.8 -42.7 29.7 48.3 85.4 507 507 A L H >< S+ 0 0 20 -4,-3.2 3,-2.1 1,-0.3 -1,-0.2 0.846 94.0 66.8 -59.3 -36.9 26.1 49.0 84.7 508 508 A Q T 3< S+ 0 0 70 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.737 106.3 43.6 -59.6 -20.5 25.1 45.6 86.1 509 509 A R T < S+ 0 0 140 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 0.141 98.3 175.9-111.3 23.9 26.3 46.8 89.5 510 510 A A < + 0 0 25 -3,-2.1 2,-0.1 2,-0.0 35,-0.1 -0.413 43.0 62.4 -71.4 153.5 24.8 50.3 89.4 511 511 A P - 0 0 88 0, 0.0 34,-0.1 0, 0.0 31,-0.1 0.495 61.6-176.2 -85.8 158.0 24.5 52.6 91.2 512 512 A L - 0 0 10 29,-0.4 5,-0.1 -2,-0.1 -36,-0.1 -0.714 46.8 -79.2-101.8 159.9 28.1 53.6 91.8 513 513 A P >> - 0 0 74 0, 0.0 4,-1.6 0, 0.0 3,-0.9 -0.367 41.4-123.2 -58.5 140.3 28.8 56.4 94.2 514 514 A L H 3> S+ 0 0 64 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.899 111.5 58.2 -51.0 -45.8 28.2 59.7 92.4 515 515 A G H 3> S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.853 104.8 52.5 -55.2 -35.0 31.7 60.9 93.1 516 516 A H H <> S+ 0 0 18 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.917 108.2 48.6 -69.5 -40.9 33.0 57.8 91.2 517 517 A I H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 5,-0.2 0.901 110.3 51.3 -65.1 -41.7 30.9 58.5 88.2 518 518 A K H X S+ 0 0 89 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.951 110.3 49.5 -59.8 -46.0 32.0 62.1 88.1 519 519 A R H X S+ 0 0 47 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.912 106.9 57.4 -59.3 -38.6 35.6 60.9 88.3 520 520 A M H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.4 0.900 107.4 44.9 -61.2 -41.0 34.9 58.5 85.5 521 521 A Q H X S+ 0 0 31 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.915 112.1 55.5 -68.6 -37.6 33.8 61.3 83.2 522 522 A E H < S+ 0 0 140 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.920 117.2 32.8 -61.1 -41.9 36.8 63.3 84.3 523 523 A V H < S+ 0 0 18 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.828 133.0 25.6 -87.2 -29.4 39.3 60.6 83.4 524 524 A Y H < S- 0 0 14 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.533 82.6-142.2-112.5 -9.9 37.6 59.0 80.3 525 525 A N >< + 0 0 85 -4,-2.2 3,-0.9 -5,-0.4 4,-0.2 0.908 33.6 165.7 46.2 55.7 35.4 61.8 78.9 526 526 A F G > + 0 0 1 -6,-0.3 3,-1.7 1,-0.2 -1,-0.1 0.757 65.6 74.4 -70.4 -21.5 32.7 59.3 77.9 527 527 A N G 3 S+ 0 0 49 1,-0.3 -1,-0.2 -6,-0.1 -2,-0.1 0.856 93.0 55.6 -58.0 -31.9 30.4 62.4 77.4 528 528 A A G < S+ 0 0 56 -3,-0.9 2,-0.4 -4,-0.1 -1,-0.3 0.590 82.7 104.8 -76.8 -12.6 32.3 63.0 74.3 529 529 A I < - 0 0 39 -3,-1.7 -3,-0.0 -4,-0.2 -4,-0.0 -0.516 46.3-171.7 -75.5 127.5 31.7 59.5 72.7 530 530 A N + 0 0 132 -2,-0.4 -1,-0.1 -246,-0.1 2,-0.1 0.694 47.0 116.0 -95.1 -10.1 29.2 59.4 70.0 531 531 A N > - 0 0 15 1,-0.2 4,-2.7 -247,-0.1 5,-0.3 -0.352 63.8-140.0 -55.4 124.2 28.9 55.7 69.5 532 532 A S H > S+ 0 0 11 -251,-0.6 4,-2.5 1,-0.2 5,-0.2 0.850 95.2 52.0 -62.4 -38.7 25.3 54.9 70.5 533 533 A E H > S+ 0 0 16 -252,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.961 114.6 43.5 -62.7 -48.3 25.8 51.7 72.3 534 534 A I H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.928 116.1 46.2 -63.3 -49.8 28.5 53.3 74.5 535 535 A R H X S+ 0 0 35 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.939 110.3 55.2 -62.3 -41.3 26.6 56.5 75.1 536 536 A F H X S+ 0 0 9 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.979 113.8 39.0 -54.4 -57.3 23.5 54.6 75.9 537 537 A R H X S+ 0 0 14 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.862 115.2 53.4 -63.0 -36.6 25.1 52.5 78.6 538 538 A W H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.958 109.9 47.8 -63.3 -48.9 27.2 55.4 79.9 539 539 A L H X S+ 0 0 0 -4,-3.2 4,-2.5 -5,-0.2 5,-0.2 0.872 109.2 52.7 -63.2 -33.8 24.1 57.6 80.3 540 540 A R H X S+ 0 0 57 -4,-1.8 4,-3.3 -5,-0.3 5,-0.2 0.927 109.1 50.5 -63.4 -42.3 22.2 54.9 82.1 541 541 A L H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -29,-0.4 0.889 111.3 49.0 -59.8 -42.9 25.0 54.4 84.5 542 542 A C H <>S+ 0 0 1 -4,-2.2 5,-2.9 2,-0.2 -1,-0.2 0.933 114.6 43.1 -61.1 -51.3 25.0 58.1 85.2 543 543 A I H ><5S+ 0 0 1 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.934 114.7 48.9 -64.2 -47.9 21.3 58.4 85.7 544 544 A Q H 3<5S+ 0 0 52 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.797 109.1 54.5 -65.1 -24.6 21.1 55.3 87.8 545 545 A S T 3<5S- 0 0 3 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.315 119.6-114.3 -88.7 6.8 24.1 56.7 89.8 546 546 A K T < 5 + 0 0 98 -3,-1.9 2,-1.1 1,-0.2 -3,-0.2 0.768 56.1 160.5 69.6 31.0 22.0 59.9 90.4 547 547 A W > < - 0 0 27 -5,-2.9 3,-1.4 1,-0.2 4,-0.3 -0.711 23.9-163.8 -85.3 106.9 24.1 62.3 88.4 548 548 A E T > S+ 0 0 108 -2,-1.1 3,-1.8 1,-0.3 -1,-0.2 0.810 83.2 65.3 -58.6 -32.9 21.7 65.2 87.8 549 549 A D T 3> S+ 0 0 106 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.757 94.5 61.3 -63.4 -21.6 23.9 66.7 85.1 550 550 A A H <> S+ 0 0 4 -3,-1.4 4,-2.7 1,-0.2 -1,-0.3 0.639 80.9 87.5 -78.6 -13.7 23.3 63.7 83.0 551 551 A I H <> S+ 0 0 14 -3,-1.8 4,-2.9 -4,-0.3 5,-0.2 0.893 89.8 43.7 -51.2 -51.6 19.5 64.4 82.9 552 552 A P H > S+ 0 0 77 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.880 113.2 52.8 -66.9 -35.2 19.5 66.6 79.9 553 553 A L H X S+ 0 0 46 -4,-0.5 4,-2.5 2,-0.2 5,-0.3 0.937 111.8 45.5 -64.2 -44.7 21.9 64.3 78.1 554 554 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.935 112.5 50.4 -66.5 -42.1 19.6 61.3 78.7 555 555 A L H X S+ 0 0 14 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.860 110.9 50.4 -61.2 -38.1 16.5 63.2 77.8 556 556 A K H X S+ 0 0 112 -4,-2.1 4,-2.9 -5,-0.2 3,-0.2 0.945 111.5 45.2 -66.4 -49.8 18.1 64.3 74.5 557 557 A M H X S+ 0 0 16 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.876 111.5 55.1 -62.4 -37.6 19.3 60.9 73.4 558 558 A A H < S+ 0 0 2 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.853 120.0 28.4 -64.5 -36.0 16.0 59.4 74.3 559 559 A T H < S+ 0 0 42 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.695 110.0 65.1-101.2 -23.7 14.0 61.8 72.2 560 560 A E H < S+ 0 0 113 -4,-2.9 2,-0.3 -5,-0.2 -3,-0.2 0.674 117.1 21.6 -75.6 -14.5 16.4 62.6 69.5 561 561 A Q < - 0 0 18 -4,-0.9 -297,-0.2 -5,-0.2 0, 0.0 -0.905 65.9-153.9-140.8 164.8 16.3 59.0 68.3 562 562 A G + 0 0 9 -299,-2.8 2,-0.4 -2,-0.3 -298,-0.2 0.171 36.9 142.5-135.1 22.6 13.8 56.4 68.8 563 563 A R >> - 0 0 11 -300,-0.3 4,-2.9 1,-0.2 3,-2.0 -0.455 50.4-139.0 -61.3 114.1 15.5 53.0 68.6 564 564 A M H 3> S+ 0 0 13 -298,-2.0 4,-2.2 -2,-0.4 -1,-0.2 0.825 96.8 68.6 -49.4 -36.2 13.4 51.2 71.4 565 565 A K H 34 S+ 0 0 90 -299,-0.4 -1,-0.3 1,-0.2 -298,-0.1 0.839 117.0 23.5 -53.5 -35.5 16.5 49.5 72.7 566 566 A F H <> S+ 0 0 0 -3,-2.0 4,-1.7 2,-0.1 5,-0.2 0.836 121.3 55.3 -98.9 -44.0 17.8 52.9 73.8 567 567 A T H X S+ 0 0 4 -4,-2.9 4,-2.3 1,-0.2 5,-0.3 0.890 104.7 50.3 -57.7 -47.8 14.6 55.0 74.2 568 568 A R H X S+ 0 0 44 -4,-2.2 4,-2.5 -5,-0.3 5,-0.2 0.954 114.2 40.1 -62.4 -51.6 12.7 52.8 76.5 569 569 A P H > S+ 0 0 20 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.822 113.2 55.6 -71.3 -26.8 15.3 52.2 79.2 570 570 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.975 112.6 42.5 -67.2 -48.8 16.5 55.8 79.1 571 571 A F H X S+ 0 0 1 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.907 114.9 51.5 -60.8 -41.3 13.0 57.0 79.7 572 572 A K H X S+ 0 0 80 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.933 110.5 47.1 -64.6 -40.6 12.5 54.4 82.3 573 573 A D H X S+ 0 0 15 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.920 111.2 51.2 -65.9 -40.8 15.7 55.3 84.1 574 574 A L H < S+ 0 0 0 -4,-2.7 3,-0.3 1,-0.2 6,-0.3 0.834 108.7 51.4 -65.0 -31.8 14.9 58.9 84.1 575 575 A A H < S+ 0 0 19 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.798 108.1 52.8 -75.1 -26.3 11.4 58.2 85.5 576 576 A A H < S+ 0 0 77 -4,-1.6 2,-0.7 -5,-0.2 -1,-0.2 0.611 91.1 86.1 -82.9 -11.7 13.0 56.2 88.3 577 577 A F S >X S- 0 0 4 -4,-0.8 4,-1.6 -3,-0.3 3,-1.0 -0.810 74.5-147.7 -91.0 113.9 15.3 59.1 89.2 578 578 A D T 34 S+ 0 0 118 -2,-0.7 4,-0.5 1,-0.3 3,-0.4 0.881 95.9 56.3 -47.7 -43.9 13.4 61.3 91.6 579 579 A K T 34 S+ 0 0 116 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.794 118.3 28.4 -61.2 -35.4 15.2 64.4 90.2 580 580 A S T <> S+ 0 0 0 -3,-1.0 4,-2.5 -6,-0.3 -1,-0.2 0.454 91.6 102.0-108.0 1.0 14.2 63.8 86.5 581 581 A H H X S+ 0 0 73 -4,-1.6 4,-2.3 -3,-0.4 5,-0.2 0.935 82.9 42.7 -48.6 -57.5 10.9 62.0 87.0 582 582 A D H > S+ 0 0 112 -4,-0.5 4,-2.4 1,-0.3 -1,-0.2 0.918 116.3 49.0 -60.0 -42.6 8.5 64.8 86.3 583 583 A Q H > S+ 0 0 77 -4,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.852 107.5 54.8 -67.5 -31.6 10.5 66.1 83.5 584 584 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 -10,-0.2 -2,-0.2 0.945 111.2 45.6 -63.3 -46.0 10.7 62.6 81.9 585 585 A V H X S+ 0 0 36 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.916 113.2 49.2 -62.5 -45.1 6.9 62.3 82.0 586 586 A R H X S+ 0 0 121 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.912 108.5 53.4 -63.8 -41.9 6.4 65.7 80.6 587 587 A T H X S+ 0 0 14 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.924 109.5 48.4 -60.4 -43.6 8.9 65.2 77.8 588 588 A Y H >X S+ 0 0 6 -4,-2.0 4,-3.3 2,-0.2 3,-0.7 0.966 109.5 51.4 -59.6 -52.3 7.1 62.0 76.7 589 589 A Q H 3< S+ 0 0 79 -4,-2.4 4,-0.4 1,-0.3 -1,-0.2 0.887 112.6 47.8 -50.9 -41.8 3.7 63.6 76.8 590 590 A E H 3< S+ 0 0 133 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.725 119.4 38.5 -72.9 -27.4 5.1 66.4 74.6 591 591 A H H XX S+ 0 0 61 -4,-1.6 3,-1.5 -3,-0.7 4,-0.5 0.618 88.8 92.0 -99.3 -17.5 6.7 64.1 72.2 592 592 A K G >< S+ 0 0 67 -4,-3.3 3,-1.4 1,-0.3 -2,-0.1 0.834 81.2 54.8 -47.6 -43.8 4.2 61.4 72.0 593 593 A A G 34 S+ 0 0 100 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.790 112.2 45.6 -59.9 -29.4 2.2 62.6 69.0 594 594 A S G <4 S+ 0 0 55 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.363 98.2 97.9 -96.3 3.0 5.4 62.9 66.9 595 595 A M S << S- 0 0 31 -3,-1.4 -36,-0.0 -4,-0.5 -33,-0.0 -0.460 87.8 -86.3 -91.6 166.9 6.7 59.5 67.9 596 596 A H > - 0 0 4 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.368 45.1-120.8 -63.4 145.2 6.6 56.1 66.3 597 597 A P H > S+ 0 0 40 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.842 107.4 41.0 -61.7 -38.7 3.3 54.4 67.2 598 598 A V H > S+ 0 0 8 -485,-0.3 4,-3.2 2,-0.2 5,-0.2 0.950 116.5 49.6 -77.3 -44.1 4.6 51.3 68.9 599 599 A T H > S+ 0 0 4 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.934 111.7 51.2 -54.0 -44.1 7.4 53.1 70.6 600 600 A A H X S+ 0 0 15 -4,-2.6 4,-1.9 1,-0.2 5,-0.2 0.946 110.4 47.0 -59.1 -49.4 4.8 55.6 71.8 601 601 A M H X S+ 0 0 73 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.930 114.8 46.7 -61.6 -43.3 2.5 52.9 73.1 602 602 A L H X S+ 0 0 3 -4,-3.2 4,-3.6 2,-0.2 -2,-0.2 0.918 110.5 50.2 -66.6 -42.5 5.4 51.1 74.9 603 603 A V H X S+ 0 0 0 -4,-2.9 4,-3.2 -5,-0.2 5,-0.2 0.930 110.1 51.9 -60.8 -41.5 7.0 54.2 76.5 604 604 A G H X>S+ 0 0 2 -4,-1.9 5,-2.8 -5,-0.3 4,-0.6 0.918 112.3 45.9 -62.6 -41.0 3.5 55.3 77.9 605 605 A K H ><5S+ 0 0 134 -4,-1.8 3,-1.6 -5,-0.2 -2,-0.2 0.975 112.3 50.0 -63.4 -52.7 3.1 51.9 79.3 606 606 A D H 3<5S+ 0 0 36 -4,-3.6 -2,-0.2 1,-0.3 -1,-0.2 0.881 115.6 43.8 -51.8 -42.3 6.6 52.0 80.7 607 607 A L H 3<5S- 0 0 18 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.458 107.2-127.3 -85.0 -3.4 5.9 55.4 82.2 608 608 A K T <<5 + 0 0 194 -3,-1.6 2,-0.4 -4,-0.6 -3,-0.2 0.863 56.5 151.9 62.4 32.6 2.5 54.3 83.4 609 609 A V < 0 0 20 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.797 360.0 360.0 -97.6 146.7 1.0 57.2 81.7 610 610 A D 0 0 167 -2,-0.4 -5,-0.0 -3,-0.1 -6,-0.0 -0.817 360.0 360.0 95.5 360.0 -2.7 57.1 80.5