==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-MAR-04 1SQM . COMPND 2 MOLECULE: LEUKOTRIENE A-4 HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.O.T.THOLANDER,P.C.RUDBERG,M.M.G.M.THUNNISSEN, . 610 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24048.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 433 71.0 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 . 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 . 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 . 74 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 31.1 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 1 1 0 0 5 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 . 2 3 1 2 3 1 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 0 185 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 101.2 20.0 -16.4 16.4 2 2 A E + 0 0 151 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.969 360.0 165.9-128.7 124.2 19.4 -16.4 12.6 3 3 A I - 0 0 62 -2,-0.4 2,-0.3 306,-0.0 417,-0.0 -0.994 19.1-149.4-134.0 138.4 19.8 -13.6 10.1 4 4 A V - 0 0 88 -2,-0.4 2,-1.0 8,-0.1 3,-0.1 -0.697 20.2-118.1-108.0 159.0 19.8 -13.7 6.3 5 5 A D > - 0 0 15 -2,-0.3 3,-1.6 1,-0.1 305,-0.0 -0.817 22.8-169.3 -96.2 101.2 21.6 -11.6 3.8 6 6 A T T 3 S+ 0 0 32 -2,-1.0 365,-0.4 1,-0.3 -1,-0.1 0.634 82.7 61.2 -68.1 -10.3 18.8 -10.1 1.7 7 7 A C T 3 S+ 0 0 0 363,-0.1 2,-0.4 364,-0.1 -1,-0.3 0.591 95.7 73.0 -90.8 -9.8 21.3 -8.8 -0.9 8 8 A S < - 0 0 19 -3,-1.6 -3,-0.1 1,-0.1 141,-0.1 -0.845 51.1-171.1-110.5 143.0 22.5 -12.3 -1.8 9 9 A L + 0 0 33 -2,-0.4 -1,-0.1 73,-0.2 2,-0.1 0.282 62.4 103.6-104.9 6.2 20.8 -15.0 -3.8 10 10 A A S S- 0 0 11 1,-0.1 44,-0.2 75,-0.1 -2,-0.1 -0.372 90.6 -79.8 -86.1 166.3 23.5 -17.6 -2.9 11 11 A S - 0 0 13 42,-2.3 -1,-0.1 -2,-0.1 44,-0.1 -0.475 58.5-118.4 -62.7 133.6 23.2 -20.4 -0.3 12 12 A P >> - 0 0 53 0, 0.0 3,-2.1 0, 0.0 4,-1.6 -0.223 26.1 -97.2 -70.7 167.1 23.8 -18.7 3.1 13 13 A A T 34 S+ 0 0 13 1,-0.3 -2,-0.1 2,-0.2 134,-0.0 0.713 119.5 68.6 -56.4 -27.8 26.7 -19.6 5.4 14 14 A S T 34 S+ 0 0 55 1,-0.2 -1,-0.3 30,-0.0 3,-0.1 0.661 107.0 39.3 -70.6 -11.8 24.5 -21.9 7.4 15 15 A V T <4 S- 0 0 23 -3,-2.1 30,-3.3 1,-0.5 31,-0.7 0.831 133.4 -20.2-100.8 -50.4 24.3 -24.3 4.4 16 16 A C E < -A 44 0A 1 -4,-1.6 -1,-0.5 28,-0.3 2,-0.4 -0.977 56.0-143.8-155.9 161.7 27.9 -24.1 3.1 17 17 A R E -A 43 0A 83 26,-2.6 26,-3.4 -2,-0.3 2,-0.5 -0.997 16.0-131.6-134.5 130.9 30.9 -21.8 3.3 18 18 A T E +A 42 0A 5 -2,-0.4 24,-0.3 24,-0.2 135,-0.1 -0.694 24.8 178.2 -78.5 125.4 33.5 -20.9 0.7 19 19 A K E + 0 0 85 22,-3.2 136,-1.8 -2,-0.5 2,-0.3 0.673 61.7 9.3 -99.4 -23.6 37.0 -21.4 2.3 20 20 A H E -Ab 41 155A 46 21,-1.1 21,-2.5 134,-0.2 2,-0.4 -0.999 53.0-154.5-157.4 154.2 39.2 -20.5 -0.6 21 21 A L E -Ab 40 156A 2 134,-1.6 136,-1.9 -2,-0.3 2,-0.6 -1.000 2.9-168.8-131.6 131.5 39.3 -19.1 -4.1 22 22 A H E -Ab 39 157A 56 17,-2.2 17,-2.4 -2,-0.4 2,-0.5 -0.954 17.1-165.8-119.3 107.6 41.9 -19.9 -6.7 23 23 A L E +Ab 38 158A 7 134,-2.6 136,-2.4 -2,-0.6 2,-0.5 -0.833 14.8 177.0-101.0 126.1 41.4 -17.5 -9.6 24 24 A R E +Ab 37 159A 118 13,-2.4 13,-3.0 -2,-0.5 2,-0.3 -0.973 25.4 148.5-124.9 111.6 43.1 -18.1 -12.9 25 25 A C E -Ab 36 160A 11 134,-2.3 136,-2.7 -2,-0.5 2,-0.4 -0.936 38.0-141.4-143.4 165.9 42.1 -15.4 -15.5 26 26 A S E -Ab 35 161A 37 9,-3.2 9,-2.6 -2,-0.3 2,-0.8 -0.996 20.9-131.9-131.7 135.1 43.2 -13.4 -18.5 27 27 A V E -A 34 0A 0 134,-2.7 2,-1.0 -2,-0.4 7,-0.2 -0.782 18.2-163.4 -91.4 109.3 42.3 -9.8 -19.1 28 28 A D E >>> +A 33 0A 43 5,-2.8 5,-1.7 -2,-0.8 4,-1.7 -0.743 13.4 175.7 -98.1 95.0 41.1 -9.3 -22.7 29 29 A F T 345S+ 0 0 34 -2,-1.0 -1,-0.2 1,-0.2 101,-0.1 0.809 79.0 59.2 -65.7 -30.3 41.2 -5.5 -23.5 30 30 A T T 345S+ 0 0 137 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.801 120.7 27.2 -70.0 -27.3 40.1 -6.1 -27.1 31 31 A R T <45S- 0 0 113 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.2 0.519 101.3-128.7-109.6 -9.9 36.9 -7.7 -25.9 32 32 A R T <5 + 0 0 91 -4,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.908 67.6 126.6 60.6 41.2 36.6 -5.9 -22.6 33 33 A T E < -A 28 0A 3 -5,-1.7 -5,-2.8 77,-0.1 2,-0.5 -0.963 57.2-143.0-130.2 150.6 36.1 -9.2 -20.9 34 34 A L E -A 27 0A 3 -2,-0.4 74,-2.6 -7,-0.2 2,-0.4 -0.950 28.9-171.0-107.8 127.2 37.9 -11.0 -18.0 35 35 A T E +AC 26 107A 51 -9,-2.6 -9,-3.2 -2,-0.5 2,-0.3 -0.945 25.7 82.3-124.2 144.0 38.0 -14.7 -18.8 36 36 A G E -AC 25 106A 16 70,-2.1 70,-3.0 -2,-0.4 2,-0.4 -0.997 65.6 -60.2 162.3-165.3 39.1 -17.6 -16.6 37 37 A T E -AC 24 105A 19 -13,-3.0 -13,-2.4 -2,-0.3 2,-0.7 -0.963 25.4-158.6-121.9 134.1 38.3 -20.2 -14.0 38 38 A A E -AC 23 104A 0 66,-2.9 66,-3.1 -2,-0.4 2,-0.8 -0.953 12.5-163.5-108.2 111.2 37.2 -19.5 -10.4 39 39 A A E -AC 22 103A 9 -17,-2.4 -17,-2.2 -2,-0.7 2,-0.5 -0.889 9.1-164.7 -98.8 112.9 38.0 -22.6 -8.3 40 40 A L E -AC 21 102A 3 62,-3.0 62,-2.6 -2,-0.8 2,-0.8 -0.845 15.4-149.7-103.1 126.2 36.0 -22.5 -5.1 41 41 A T E -AC 20 101A 31 -21,-2.5 -22,-3.2 -2,-0.5 -21,-1.1 -0.836 27.5-170.1 -91.1 111.3 36.8 -24.7 -2.1 42 42 A V E -AC 18 100A 3 58,-3.0 58,-1.9 -2,-0.8 2,-0.5 -0.896 13.3-156.0-110.3 133.0 33.4 -25.1 -0.5 43 43 A Q E -AC 17 99A 27 -26,-3.4 -26,-2.6 -2,-0.5 56,-0.2 -0.885 18.3-129.3-107.1 130.7 32.7 -26.6 2.9 44 44 A S E -A 16 0A 0 54,-3.2 53,-2.7 -2,-0.5 -28,-0.3 -0.519 18.1-173.7 -75.7 143.7 29.3 -28.0 3.7 45 45 A Q + 0 0 30 -30,-3.3 2,-0.3 51,-0.2 -29,-0.2 0.285 68.3 60.4-114.1 5.0 27.7 -26.9 6.9 46 46 A E S > S- 0 0 78 -31,-0.7 3,-0.5 49,-0.2 52,-0.2 -0.868 86.2-101.4-129.5 166.0 24.8 -29.4 6.5 47 47 A D T 3 S+ 0 0 123 -2,-0.3 48,-0.2 1,-0.2 47,-0.1 -0.548 99.8 5.7 -84.3 147.9 24.2 -33.0 6.3 48 48 A N T 3 S- 0 0 81 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.874 79.3-175.1 47.7 52.0 23.6 -34.6 2.9 49 49 A L E < +H 94 0B 6 45,-2.3 45,-2.4 -3,-0.5 -1,-0.2 -0.680 13.7 166.6 -80.2 122.9 24.2 -31.4 0.8 50 50 A R E + 0 0 149 -2,-0.5 40,-2.2 1,-0.3 2,-0.3 0.558 58.6 10.5-114.4 -11.7 23.5 -32.1 -2.8 51 51 A S E -H 89 0B 44 38,-0.2 2,-0.3 2,-0.0 -1,-0.3 -0.979 56.4-165.8-158.9 164.0 23.4 -28.6 -4.5 52 52 A L E -H 88 0B 2 36,-1.4 36,-3.0 -2,-0.3 2,-0.4 -0.981 16.6-127.8-153.7 159.6 24.2 -25.0 -3.8 53 53 A V E -H 87 0B 31 -2,-0.3 -42,-2.3 34,-0.2 2,-0.3 -0.887 18.5-166.8-115.1 140.1 23.5 -21.6 -5.2 54 54 A L E -H 86 0B 2 32,-2.5 32,-3.0 -2,-0.4 2,-0.3 -0.867 24.4-111.7-122.7 157.2 26.0 -18.9 -6.1 55 55 A D B +J 146 0C 0 91,-2.6 91,-1.8 -2,-0.3 2,-0.3 -0.639 39.7 166.4 -85.9 147.4 25.6 -15.2 -7.0 56 56 A T - 0 0 2 26,-0.4 28,-2.0 -2,-0.3 2,-0.3 -0.969 18.6-167.2-154.6 154.9 26.2 -14.0 -10.5 57 57 A K S S- 0 0 21 84,-1.5 52,-0.3 -2,-0.3 56,-0.1 -0.854 76.1 -22.9-151.9 111.8 25.5 -10.9 -12.5 58 58 A D S S+ 0 0 35 -2,-0.3 51,-0.4 1,-0.2 2,-0.3 0.815 93.3 146.3 57.4 37.6 25.9 -10.7 -16.2 59 59 A L - 0 0 16 49,-0.1 2,-0.5 25,-0.1 -1,-0.2 -0.677 45.4-138.3-100.8 156.6 28.4 -13.6 -16.3 60 60 A T E -D 107 0A 80 47,-2.5 47,-2.0 -2,-0.3 2,-0.6 -0.977 16.6-151.7-114.3 122.7 28.7 -16.1 -19.1 61 61 A I E +D 106 0A 20 -2,-0.5 45,-0.2 45,-0.2 3,-0.1 -0.866 18.5 177.3 -99.1 119.7 29.2 -19.6 -17.8 62 62 A E E - 0 0 146 43,-2.4 2,-0.3 -2,-0.6 44,-0.2 0.841 65.0 -38.3 -86.2 -38.9 31.2 -21.9 -20.1 63 63 A K E -D 105 0A 62 42,-1.3 42,-2.9 2,-0.0 2,-0.4 -0.961 43.5-130.7-179.1 162.8 31.2 -24.9 -17.7 64 64 A V E -D 104 0A 1 7,-0.4 7,-2.8 -2,-0.3 2,-0.4 -0.996 23.3-170.0-131.8 126.0 31.4 -26.2 -14.2 65 65 A V E +DE 103 70A 21 38,-2.2 38,-2.6 -2,-0.4 2,-0.4 -0.965 10.1 175.5-124.2 131.4 33.7 -29.1 -13.2 66 66 A I E > S-DE 102 69A 1 3,-2.6 3,-0.9 -2,-0.4 36,-0.1 -0.994 77.4 -2.5-133.6 125.8 33.9 -31.1 -10.0 67 67 A N T 3 S- 0 0 108 34,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.840 132.5 -55.1 64.7 34.8 36.2 -34.1 -9.6 68 68 A G T 3 S+ 0 0 62 1,-0.2 2,-0.4 -3,-0.0 -1,-0.2 0.605 118.5 101.1 78.3 9.6 37.4 -33.7 -13.2 69 69 A Q E < S-E 66 0A 136 -3,-0.9 -3,-2.6 0, 0.0 -1,-0.2 -0.975 74.7-113.3-132.0 145.5 33.9 -33.9 -14.6 70 70 A E E -E 65 0A 142 -2,-0.4 -5,-0.3 -5,-0.2 2,-0.2 -0.494 39.4-163.5 -71.8 137.8 31.4 -31.4 -16.0 71 71 A V - 0 0 23 -7,-2.8 -7,-0.4 -2,-0.2 2,-0.3 -0.746 21.7 -91.6-121.7 169.6 28.3 -31.1 -13.8 72 72 A K + 0 0 170 17,-0.4 17,-3.3 -2,-0.2 2,-0.3 -0.576 46.7 156.7 -84.6 144.3 24.8 -29.7 -14.1 73 73 A Y E -I 88 0B 77 15,-0.3 2,-0.3 -2,-0.3 15,-0.2 -0.940 20.5-155.5-153.2 165.9 24.0 -26.2 -13.1 74 74 A A E -I 87 0B 57 13,-2.3 13,-2.6 -2,-0.3 2,-0.5 -0.979 13.2-134.3-153.8 138.4 21.3 -23.7 -14.1 75 75 A L E -I 86 0B 77 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.827 23.5-142.1 -94.7 125.3 21.0 -20.0 -14.1 76 76 A G - 0 0 35 9,-3.0 2,-0.1 -2,-0.5 3,-0.1 -0.202 40.0 -72.5 -75.1 176.3 17.8 -18.6 -12.6 77 77 A E - 0 0 171 1,-0.1 -1,-0.2 7,-0.1 0, 0.0 -0.430 62.5 -93.9 -69.8 145.2 16.0 -15.6 -14.1 78 78 A R - 0 0 102 6,-0.2 2,-0.5 -2,-0.1 6,-0.2 -0.291 28.1-153.1 -60.8 141.3 17.8 -12.3 -13.4 79 79 A Q B >> -K 83 0D 87 4,-2.4 3,-1.8 1,-0.4 4,-0.5 -0.769 40.1-106.3-119.2 82.0 16.6 -10.4 -10.3 80 80 A S G >4 S+ 0 0 76 -2,-0.5 3,-2.2 1,-0.3 -1,-0.4 0.089 97.0 1.4 27.6-127.5 17.5 -6.8 -11.3 81 81 A Y G 34 S+ 0 0 35 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.736 126.9 67.2 -56.9 -24.1 20.5 -5.5 -9.4 82 82 A K G <4 S- 0 0 20 -3,-1.8 -26,-0.4 1,-0.2 -1,-0.3 0.676 95.2-148.3 -71.8 -14.9 21.0 -8.8 -7.6 83 83 A G B << -K 79 0D 0 -3,-2.2 -4,-2.4 -4,-0.5 -26,-0.3 -0.428 35.6 -38.0 82.7-159.6 21.9 -10.5 -10.8 84 84 A S - 0 0 18 -28,-2.0 -28,-0.2 -6,-0.2 -6,-0.2 -0.911 50.5-127.3-116.6 129.3 21.2 -14.2 -11.5 85 85 A P - 0 0 22 0, 0.0 -9,-3.0 0, 0.0 2,-0.6 -0.403 20.0-152.4 -69.1 138.8 21.3 -17.1 -9.1 86 86 A M E -HI 54 75B 0 -32,-3.0 -32,-2.5 -11,-0.2 2,-0.4 -0.930 7.1-162.2-118.6 107.9 23.4 -20.0 -10.3 87 87 A E E -HI 53 74B 93 -13,-2.6 -13,-2.3 -2,-0.6 2,-0.5 -0.757 4.8-162.9 -92.7 132.7 22.4 -23.4 -8.9 88 88 A I E -HI 52 73B 0 -36,-3.0 -36,-1.4 -2,-0.4 2,-0.7 -0.961 12.8-142.1-120.1 125.5 25.0 -26.2 -9.1 89 89 A S E -H 51 0B 59 -17,-3.3 -17,-0.4 -2,-0.5 -38,-0.2 -0.779 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-363,-0.1 3,-0.0 3,-0.1 -0.406 86.9 -4.8 -59.8 123.5 15.7 -5.9 1.1 371 371 A D T 3 S+ 0 0 115 -365,-0.4 2,-0.5 -2,-0.2 -1,-0.3 0.720 110.2 117.3 62.0 21.2 15.0 -5.0 -2.5 372 372 A I < - 0 0 51 -3,-2.4 -1,-0.2 -291,-0.0 3,-0.0 -0.979 68.2-126.6-121.7 126.6 17.2 -1.9 -2.3 373 373 A D >> - 0 0 27 -2,-0.5 4,-1.5 1,-0.2 3,-1.1 -0.527 18.3-138.9 -65.9 125.9 20.3 -1.6 -4.4 374 374 A P H 3> S+ 0 0 13 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.872 101.2 60.9 -56.1 -36.5 23.1 -0.8 -1.9 375 375 A D H 34 S+ 0 0 7 1,-0.2 -2,-0.1 2,-0.2 -3,-0.0 0.823 104.9 47.8 -60.0 -30.4 24.6 1.7 -4.3 376 376 A V H <4 S+ 0 0 38 -3,-1.1 -1,-0.2 1,-0.2 -3,-0.0 0.835 112.9 47.5 -79.4 -33.0 21.3 3.8 -4.2 377 377 A A H < S+ 0 0 14 -4,-1.5 -2,-0.2 -8,-0.1 -1,-0.2 0.651 84.2 116.2 -83.9 -15.1 21.2 3.7 -0.4 378 378 A Y < + 0 0 77 -4,-1.5 2,-0.3 -5,-0.2 -16,-0.0 -0.260 36.2 127.0 -56.2 135.5 24.8 4.7 0.1 379 379 A S S S- 0 0 15 -17,-0.0 4,-0.4 -16,-0.0 -2,-0.0 -0.882 71.9 -78.3-165.7-165.7 25.3 8.0 1.9 380 380 A S S > S+ 0 0 42 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-5,-0.2 3,-0.2 0.605 77.5 -57.2 119.6 7.4 34.3 8.3 30.6 399 399 A G >< - 0 0 17 -5,-3.1 4,-2.0 -6,-0.2 3,-0.5 -0.361 68.1 -58.5 114.2 165.6 36.4 9.7 27.8 400 400 A P H > S+ 0 0 40 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.878 124.0 54.7 -54.3 -45.2 38.5 8.8 24.7 401 401 A E H > S+ 0 0 177 1,-0.2 4,-1.0 2,-0.2 -2,-0.1 0.834 110.6 45.7 -62.4 -34.2 41.1 6.6 26.6 402 402 A I H > S+ 0 0 65 -3,-0.5 4,-1.2 2,-0.2 3,-0.3 0.929 114.5 46.4 -73.8 -44.9 38.4 4.4 28.1 403 403 A F H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.837 107.0 58.8 -67.6 -31.3 36.4 4.0 24.9 404 404 A L H X S+ 0 0 21 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.858 101.1 56.5 -65.4 -33.0 39.6 3.2 22.9 405 405 A G H X S+ 0 0 28 -4,-1.0 4,-1.9 -3,-0.3 -1,-0.2 0.878 108.2 47.0 -64.2 -36.4 40.1 0.3 25.3 406 406 A F H X S+ 0 0 0 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.852 109.5 54.9 -71.5 -33.5 36.7 -1.1 24.3 407 407 A L H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.946 109.2 45.8 -66.3 -45.8 37.6 -0.5 20.6 408 408 A K H X S+ 0 0 66 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.926 114.7 46.6 -64.5 -43.9 40.7 -2.6 20.8 409 409 A A H X S+ 0 0 20 -4,-1.9 4,-3.7 2,-0.2 -1,-0.2 0.865 110.6 54.9 -65.0 -34.2 39.0 -5.4 22.7 410 410 A Y H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.950 110.2 45.0 -64.1 -47.6 36.1 -5.2 20.2 411 411 A V H X S+ 0 0 2 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.937 116.2 47.3 -61.2 -44.2 38.6 -5.7 17.3 412 412 A E H >< S+ 0 0 120 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.949 111.8 50.5 -61.4 -50.6 40.3 -8.5 19.2 413 413 A K H 3< S+ 0 0 119 -4,-3.7 -1,-0.2 1,-0.2 -2,-0.2 0.859 121.3 31.2 -56.1 -42.9 37.0 -10.2 20.1 414 414 A F H >< S+ 0 0 20 -4,-2.4 3,-1.9 -5,-0.2 -107,-0.3 0.227 80.4 146.9-108.5 20.4 35.7 -10.2 16.6 415 415 A S T << S+ 0 0 26 -3,-0.9 -109,-0.2 -4,-0.6 3,-0.1 -0.272 76.8 8.4 -56.1 136.9 38.8 -10.5 14.5 416 416 A Y T 3 S+ 0 0 111 -111,-0.8 -1,-0.3 1,-0.2 2,-0.2 0.698 112.8 109.8 63.9 20.8 38.3 -12.6 11.3 417 417 A K E < -t 306 0G 115 -3,-1.9 -110,-2.5 -112,-1.1 2,-0.4 -0.764 64.5-132.3-122.3 173.2 34.5 -12.6 11.9 418 418 A S E +t 307 0G 15 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S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.955 112.2 43.2 -60.6 -48.7 29.5 -3.2 24.5 429 429 A Y H < S+ 0 0 45 -4,-2.4 6,-0.2 2,-0.2 -1,-0.2 0.854 115.1 50.7 -63.6 -34.7 27.3 -4.2 27.5 430 430 A S H >< S+ 0 0 73 -4,-2.2 3,-1.2 -5,-0.2 -2,-0.2 0.960 113.0 44.2 -68.4 -48.8 29.7 -7.0 28.4 431 431 A Y H 3< S+ 0 0 90 -4,-3.3 3,-0.3 1,-0.3 -2,-0.2 0.912 123.3 37.1 -61.9 -45.8 32.8 -4.8 28.3 432 432 A F T >< S+ 0 0 12 -4,-2.7 3,-2.0 -5,-0.3 -1,-0.3 -0.250 74.1 134.9-101.6 44.5 31.1 -2.0 30.2 433 433 A K G X S+ 0 0 121 -3,-1.2 3,-1.8 1,-0.3 4,-0.2 0.917 71.7 58.8 -58.4 -42.2 29.0 -4.2 32.6 434 434 A D G 3 S+ 0 0 136 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.316 111.2 42.7 -71.7 12.7 30.0 -2.0 35.4 435 435 A K G <> S+ 0 0 72 -3,-2.0 4,-2.3 -6,-0.2 3,-0.3 0.058 72.2 120.7-144.5 27.1 28.4 0.9 33.6 436 436 A V H <> S+ 0 0 46 -3,-1.8 4,-2.9 1,-0.2 5,-0.1 0.793 72.1 61.2 -63.4 -31.4 25.2 -0.7 32.4 437 437 A D H 4 S+ 0 0 126 -4,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.919 108.6 44.0 -63.3 -39.5 23.2 1.8 34.3 438 438 A V H >4 S+ 0 0 49 -3,-0.3 3,-2.0 1,-0.2 -2,-0.2 0.934 113.7 49.9 -66.7 -46.8 24.8 4.4 32.1 439 439 A L H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.3 -2,-0.2 0.855 102.9 62.1 -60.3 -34.9 24.4 2.3 29.0 440 440 A N T 3< S+ 0 0 96 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.493 91.7 68.7 -73.3 1.9 20.8 1.9 29.9 441 441 A Q T < S+ 0 0 154 -3,-2.0 2,-0.3 -5,-0.1 -1,-0.3 0.532 78.7 94.1 -97.1 -3.6 20.3 5.6 29.6 442 442 A V S < S- 0 0 9 -3,-1.7 2,-2.0 -4,-0.2 3,-0.2 -0.673 80.7-123.2 -91.2 143.6 20.8 5.7 25.8 443 443 A D > + 0 0 90 -2,-0.3 4,-2.8 1,-0.2 3,-0.5 -0.557 37.6 174.9 -80.7 75.5 17.7 5.6 23.5 444 444 A W H > S+ 0 0 23 -2,-2.0 4,-3.2 1,-0.2 5,-0.5 0.874 73.5 53.5 -51.2 -47.3 18.9 2.6 21.6 445 445 A N H > S+ 0 0 107 1,-0.2 4,-1.8 2,-0.2 5,-0.4 0.870 113.4 43.9 -59.7 -38.0 15.7 2.2 19.5 446 446 A A H > S+ 0 0 15 -3,-0.5 4,-1.5 3,-0.2 -2,-0.2 0.959 116.6 45.9 -71.3 -50.3 16.0 5.8 18.4 447 447 A W H < S+ 0 0 0 -4,-2.8 -82,-0.4 1,-0.2 -2,-0.2 0.925 125.5 28.9 -57.8 -49.9 19.8 5.6 17.7 448 448 A L H < S+ 0 0 1 -4,-3.2 -82,-2.5 -5,-0.2 -3,-0.2 0.835 134.5 21.0 -83.4 -35.1 19.7 2.3 15.8 449 449 A Y H < S+ 0 0 90 -4,-1.8 -3,-0.2 -5,-0.5 -2,-0.2 0.442 96.8 89.0-119.8 -2.0 16.3 2.2 14.2 450 450 A S < - 0 0 37 -4,-1.5 -85,-0.4 -5,-0.4 -84,-0.1 -0.776 67.6-125.3-102.0 146.8 14.8 5.6 13.9 451 451 A P + 0 0 44 0, 0.0 -87,-0.1 0, 0.0 -92,-0.1 -0.232 67.2 39.4 -78.2 171.2 15.2 8.0 10.9 452 452 A G S S- 0 0 5 -92,-0.4 -2,-0.1 -95,-0.3 -93,-0.1 -0.108 102.5 -20.3 82.7 178.4 16.5 11.6 11.2 453 453 A L S S- 0 0 79 1,-0.1 4,-0.1 -103,-0.1 -90,-0.0 -0.178 84.0 -87.3 -56.8 151.9 19.2 13.2 13.3 454 454 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.187 37.5-111.5 -58.8 156.1 20.2 11.3 16.5 455 455 A P S S+ 0 0 71 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.534 100.9 30.8 -70.4 -2.6 18.1 12.0 19.6 456 456 A I S S- 0 0 70 -9,-0.0 -64,-0.1 0, 0.0 0, 0.0 -0.964 72.3-138.0-158.6 136.6 21.1 13.7 21.1 457 457 A K - 0 0 101 -2,-0.3 3,-0.1 1,-0.1 -4,-0.0 -0.817 27.8-124.6 -97.3 130.2 24.1 15.7 19.9 458 458 A P - 0 0 7 0, 0.0 2,-0.5 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519 A R H X S+ 0 0 45 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.927 106.0 56.5 -59.0 -45.5 32.6 39.7 -4.1 520 520 A M H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.5 0.880 109.5 45.0 -54.9 -40.9 33.8 36.5 -2.5 521 521 A Q H X S+ 0 0 32 -4,-1.9 4,-1.9 3,-0.2 -1,-0.2 0.930 111.2 55.5 -68.3 -41.8 35.6 35.5 -5.7 522 522 A E H < S+ 0 0 138 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.907 121.4 25.8 -56.6 -46.9 36.9 39.1 -6.0 523 523 A V H < S+ 0 0 22 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.836 133.5 30.6 -93.2 -32.3 38.5 39.1 -2.5 524 524 A Y H < S- 0 0 15 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.564 84.2-146.4-103.5 -10.5 39.3 35.4 -1.8 525 525 A N >< + 0 0 82 -4,-1.9 3,-2.2 -5,-0.5 4,-0.2 0.815 30.7 167.1 47.2 44.9 39.9 34.2 -5.3 526 526 A F G > + 0 0 1 -6,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.707 66.2 74.6 -59.5 -22.5 38.4 30.7 -4.6 527 527 A N G 3 S+ 0 0 48 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.806 91.8 58.1 -61.1 -23.9 38.4 30.0 -8.3 528 528 A A G < S+ 0 0 55 -3,-2.2 2,-0.4 -4,-0.1 -1,-0.3 0.538 84.0 100.5 -82.4 -8.4 42.1 29.6 -8.0 529 529 A I < - 0 0 40 -3,-1.6 -4,-0.0 -4,-0.2 -3,-0.0 -0.673 44.5-176.9 -87.8 131.0 42.0 26.8 -5.4 530 530 A N + 0 0 135 -2,-0.4 2,-0.5 -246,-0.1 -1,-0.1 0.484 43.8 122.2-101.3 -6.1 42.5 23.2 -6.6 531 531 A N > - 0 0 16 1,-0.2 4,-3.4 -247,-0.1 5,-0.3 -0.444 61.7-143.2 -57.0 112.6 41.9 21.5 -3.2 532 532 A S H > S+ 0 0 8 -251,-0.5 4,-2.6 -2,-0.5 5,-0.2 0.830 93.8 49.2 -54.1 -39.9 39.0 19.3 -4.5 533 533 A E H > S+ 0 0 37 2,-0.2 4,-1.9 -252,-0.2 -1,-0.2 0.924 116.8 43.5 -66.4 -42.5 36.9 19.5 -1.3 534 534 A I H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.961 116.1 46.4 -66.8 -49.5 37.2 23.2 -1.2 535 535 A R H X S+ 0 0 38 -4,-3.4 4,-3.2 1,-0.2 5,-0.3 0.910 110.0 55.4 -59.3 -44.6 36.6 23.7 -4.9 536 536 A F H X S+ 0 0 11 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.926 111.6 42.5 -51.1 -50.9 33.6 21.3 -4.8 537 537 A R H X S+ 0 0 15 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.867 113.4 52.8 -70.1 -34.1 32.0 23.4 -2.1 538 538 A W H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.935 110.2 46.6 -66.3 -46.6 32.8 26.6 -3.7 539 539 A L 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26.7 13.6 -8.2 569 569 A P H > S+ 0 0 30 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.853 114.2 53.0 -67.0 -28.2 26.0 16.8 -6.2 570 570 A L H X S+ 0 0 1 -4,-1.7 4,-3.4 2,-0.2 5,-0.3 0.966 110.6 44.3 -69.7 -50.1 27.5 18.9 -9.0 571 571 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.918 115.3 50.8 -59.6 -39.8 25.3 17.4 -11.8 572 572 A K H X S+ 0 0 106 -4,-2.4 4,-1.4 -5,-0.3 -1,-0.2 0.920 112.7 44.7 -63.9 -43.4 22.3 17.7 -9.4 573 573 A D H >X S+ 0 0 14 -4,-2.4 4,-1.1 1,-0.2 3,-0.7 0.956 113.7 50.5 -64.0 -48.6 23.1 21.4 -8.7 574 574 A L H 3< S+ 0 0 0 -4,-3.4 6,-0.3 1,-0.3 3,-0.3 0.854 111.4 49.3 -57.6 -34.3 23.7 22.0 -12.4 575 575 A A H 3< S+ 0 0 19 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.739 107.9 52.5 -79.1 -23.5 20.4 20.4 -13.1 576 576 A A H << S+ 0 0 81 -4,-1.4 2,-0.7 -3,-0.7 -1,-0.2 0.574 92.9 82.3 -86.3 -11.7 18.4 22.4 -10.5 577 577 A F S >X S- 0 0 6 -4,-1.1 3,-1.7 -3,-0.3 4,-1.5 -0.859 78.1-145.2 -94.3 113.4 19.7 25.7 -11.9 578 578 A D T 34 S+ 0 0 124 -2,-0.7 4,-0.5 1,-0.3 -1,-0.1 0.814 93.7 58.1 -51.3 -35.4 17.4 26.6 -14.9 579 579 A K T 34 S+ 0 0 127 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.712 117.3 30.5 -69.9 -22.0 20.3 28.2 -16.9 580 580 A S T <> S+ 0 0 1 -3,-1.7 4,-2.8 -6,-0.3 -1,-0.2 0.507 91.5 101.1-113.7 -5.0 22.5 25.1 -16.9 581 581 A H H X S+ 0 0 75 -4,-1.5 4,-2.3 1,-0.2 5,-0.2 0.897 84.6 42.2 -46.4 -59.6 19.8 22.4 -16.8 582 582 A D H > S+ 0 0 125 -4,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.901 115.3 51.3 -59.9 -38.8 19.9 21.4 -20.5 583 583 A Q H > S+ 0 0 87 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.887 107.8 53.0 -66.7 -34.3 23.6 21.5 -20.5 584 584 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 -10,-0.3 -2,-0.2 0.976 112.6 43.5 -62.3 -54.3 23.8 19.2 -17.5 585 585 A V H X S+ 0 0 32 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.935 115.6 49.1 -56.4 -47.4 21.6 16.6 -19.0 586 586 A R H X S+ 0 0 136 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.844 110.0 50.4 -62.1 -38.3 23.4 16.9 -22.4 587 587 A T H X S+ 0 0 13 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.882 111.0 50.1 -69.3 -37.2 26.8 16.6 -20.8 588 588 A Y H X S+ 0 0 7 -4,-2.2 4,-2.8 -5,-0.2 3,-0.4 0.949 109.0 50.2 -66.2 -48.0 25.7 13.5 -19.0 589 589 A Q H < S+ 0 0 75 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.893 112.4 48.4 -58.2 -38.4 24.3 11.8 -22.0 590 590 A E H < S+ 0 0 104 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.780 118.6 38.4 -74.8 -25.1 27.5 12.4 -24.0 591 591 A H H >< S+ 0 0 71 -4,-1.4 3,-2.1 -3,-0.4 -2,-0.2 0.742 89.9 92.6 -95.0 -26.7 29.8 11.1 -21.2 592 592 A K G >< S+ 0 0 52 -4,-2.8 3,-2.5 1,-0.3 -2,-0.1 0.812 80.1 57.0 -31.0 -61.6 27.6 8.2 -20.0 593 593 A A G 3 S+ 0 0 98 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.767 113.0 39.6 -49.1 -35.0 29.3 5.6 -22.3 594 594 A S G < S+ 0 0 58 -3,-2.1 -1,-0.3 -4,-0.1 2,-0.2 0.101 97.2 103.4-107.9 23.9 32.7 6.3 -20.9 595 595 A M S < S- 0 0 32 -3,-2.5 -36,-0.0 -4,-0.2 -331,-0.0 -0.568 87.3 -85.9 -97.5 163.0 31.7 6.7 -17.3 596 596 A H > - 0 0 3 -2,-0.2 4,-2.7 -332,-0.2 5,-0.2 -0.527 44.4-121.0 -66.6 136.2 32.1 4.2 -14.5 597 597 A P H > S+ 0 0 38 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.846 109.2 44.0 -48.3 -46.4 29.1 1.9 -14.6 598 598 A V H > S+ 0 0 6 -485,-0.2 4,-2.2 2,-0.2 5,-0.2 0.902 114.1 49.5 -71.3 -38.1 27.8 2.6 -11.1 599 599 A T H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.880 110.5 51.4 -66.8 -38.8 28.4 6.4 -11.4 600 600 A A H X S+ 0 0 11 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.944 110.6 48.3 -63.0 -45.7 26.5 6.5 -14.7 601 601 A M H X S+ 0 0 70 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.925 114.8 44.8 -62.2 -44.7 23.6 4.7 -13.3 602 602 A L H X S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.873 113.9 46.2 -70.3 -38.8 23.4 6.9 -10.2 603 603 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.908 110.1 58.6 -69.2 -36.9 23.8 10.3 -12.0 604 604 A G H X>S+ 0 0 6 -4,-2.4 5,-2.1 -5,-0.3 4,-0.6 0.917 109.0 42.7 -55.2 -46.4 21.2 8.9 -14.5 605 605 A K H <5S+ 0 0 104 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.837 112.1 53.8 -70.1 -34.5 18.7 8.5 -11.6 606 606 A D H <5S+ 0 0 36 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.905 114.9 40.4 -65.8 -40.6 19.6 11.9 -10.1 607 607 A L H <5S- 0 0 18 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.568 106.5-131.0 -82.9 -9.2 19.0 13.6 -13.4 608 608 A K T <5 + 0 0 192 -4,-0.6 2,-0.3 -5,-0.3 -3,-0.2 0.904 54.5 150.4 57.1 44.2 15.9 11.5 -14.0 609 609 A V < 0 0 20 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.764 360.0 360.0-106.6 155.7 17.2 10.7 -17.6 610 610 A D 0 0 181 -2,-0.3 -5,-0.0 -5,-0.0 -6,-0.0 -0.591 360.0 360.0 71.0 360.0 16.5 7.5 -19.6