==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 09-DEC-08 3FH8 . COMPND 2 MOLECULE: LEUKOTRIENE A-4 HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.MAMAT,D.R.DAVIES . 607 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24153.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 432 71.2 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 . 38 6.3 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 31.1 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 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 0 165 0, 0.0 2,-1.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 112.4 19.4 100.8 -6.2 2 5 A D > - 0 0 24 1,-0.1 3,-1.6 3,-0.1 305,-0.0 -0.790 360.0-171.0 -89.5 101.9 21.4 98.8 -3.7 3 6 A T T 3 S+ 0 0 37 -2,-1.0 365,-0.4 1,-0.3 -1,-0.1 0.511 80.5 61.7 -76.4 -4.2 18.7 97.2 -1.6 4 7 A C T 3 S+ 0 0 1 363,-0.1 2,-0.4 364,-0.1 -1,-0.3 0.492 96.4 71.6 -93.7 -5.6 21.2 95.9 0.9 5 8 A S < - 0 0 18 -3,-1.6 -3,-0.1 1,-0.1 141,-0.1 -0.916 52.1-168.8-117.1 140.3 22.5 99.4 1.9 6 9 A L + 0 0 36 -2,-0.4 -1,-0.1 73,-0.3 138,-0.1 0.371 62.0 103.9 -97.6 -0.9 20.8 102.2 3.9 7 10 A A S S- 0 0 13 1,-0.2 44,-0.3 75,-0.1 -2,-0.1 -0.280 88.4 -79.2 -79.0 165.8 23.4 104.8 3.0 8 11 A S - 0 0 13 42,-2.9 -1,-0.2 1,-0.1 44,-0.1 -0.414 59.0-117.1 -57.8 135.2 23.2 107.6 0.5 9 12 A P >> - 0 0 65 0, 0.0 3,-2.1 0, 0.0 4,-1.9 -0.266 24.0 -98.9 -76.5 169.8 23.7 106.1 -3.0 10 13 A A T 34 S+ 0 0 19 1,-0.3 -2,-0.1 2,-0.2 134,-0.0 0.655 120.9 65.1 -61.2 -21.4 26.6 106.8 -5.4 11 14 A S T 34 S+ 0 0 83 1,-0.1 -1,-0.3 30,-0.0 3,-0.1 0.652 109.2 38.8 -74.9 -16.4 24.3 109.2 -7.3 12 15 A V T <4 S- 0 0 23 -3,-2.1 30,-3.0 1,-0.4 31,-0.5 0.832 132.1 -19.8 -98.2 -50.7 24.1 111.5 -4.2 13 16 A C E < -A 41 0A 1 -4,-1.9 -1,-0.4 28,-0.3 2,-0.4 -0.982 56.0-145.5-157.1 160.4 27.7 111.3 -2.9 14 17 A R E -A 40 0A 100 26,-2.2 26,-3.0 -2,-0.3 2,-0.4 -0.988 15.6-131.2-138.5 127.0 30.8 109.1 -3.1 15 18 A T E +A 39 0A 5 -2,-0.4 24,-0.3 24,-0.2 135,-0.1 -0.621 24.2 177.4 -70.4 125.5 33.5 108.2 -0.6 16 19 A K E + 0 0 74 22,-3.3 136,-2.2 -2,-0.4 2,-0.3 0.698 63.5 8.9 -99.5 -29.1 36.9 108.7 -2.3 17 20 A H E -Ab 38 152A 48 21,-1.1 21,-2.8 134,-0.3 2,-0.4 -0.992 53.8-154.6-156.0 144.9 39.1 107.8 0.7 18 21 A L E -Ab 37 153A 1 134,-1.7 136,-2.3 -2,-0.3 2,-0.5 -0.990 4.0-168.5-117.7 130.8 39.1 106.4 4.2 19 22 A H E -Ab 36 154A 52 17,-2.2 17,-2.7 -2,-0.4 2,-0.5 -0.967 14.9-167.7-114.1 113.8 41.7 107.2 6.8 20 23 A L E +Ab 35 155A 5 134,-2.5 136,-2.5 -2,-0.5 2,-0.5 -0.880 13.2 177.7-104.7 122.0 41.2 104.8 9.8 21 24 A R E +Ab 34 156A 111 13,-2.5 13,-2.7 -2,-0.5 2,-0.3 -0.987 25.8 150.1-119.6 115.8 43.0 105.4 13.1 22 25 A C E -Ab 33 157A 10 134,-2.6 136,-3.0 -2,-0.5 2,-0.4 -0.948 38.6-139.3-146.7 166.4 42.1 102.7 15.6 23 26 A S E -Ab 32 158A 39 9,-2.3 9,-2.1 -2,-0.3 2,-0.7 -0.988 18.7-137.0-129.2 135.8 43.1 100.7 18.6 24 27 A V E -A 31 0A 0 134,-2.8 2,-0.7 -2,-0.4 7,-0.2 -0.848 17.3-168.1 -98.7 113.3 42.3 97.0 19.3 25 28 A D E >> +A 30 0A 46 5,-2.8 5,-1.7 -2,-0.7 4,-1.2 -0.865 11.2 179.0-107.3 102.0 41.3 96.3 22.8 26 29 A F T 45S+ 0 0 39 -2,-0.7 -1,-0.2 1,-0.2 101,-0.1 0.779 80.5 61.9 -73.2 -26.0 41.2 92.6 23.6 27 30 A T T 45S+ 0 0 136 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.894 120.2 24.8 -65.5 -38.8 40.1 93.2 27.2 28 31 A R T 45S- 0 0 123 2,-0.2 -2,-0.2 -3,-0.2 -1,-0.2 0.520 101.4-127.8-101.5 -8.2 36.9 94.8 26.0 29 32 A R T <5 + 0 0 89 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.928 66.9 128.0 54.3 48.0 36.6 93.1 22.6 30 33 A T E < -A 25 0A 4 -5,-1.7 -5,-2.8 77,-0.1 2,-0.5 -0.960 56.4-145.9-131.0 149.5 36.2 96.5 20.9 31 34 A L E -A 24 0A 1 -2,-0.3 74,-2.3 -7,-0.2 2,-0.4 -0.981 28.6-174.1-107.0 126.1 37.9 98.4 18.1 32 35 A T E +AC 23 104A 51 -9,-2.1 -9,-2.3 -2,-0.5 2,-0.3 -0.971 26.5 78.6-126.2 138.7 37.9 102.2 19.0 33 36 A G E -AC 22 103A 17 70,-2.3 70,-2.5 -2,-0.4 2,-0.4 -0.978 67.0 -52.7 167.7-156.0 39.0 105.1 16.9 34 37 A T E -AC 21 102A 22 -13,-2.7 -13,-2.5 -2,-0.3 2,-0.6 -0.982 24.8-160.3-126.0 134.6 38.2 107.5 14.1 35 38 A A E -AC 20 101A 0 66,-2.4 66,-2.7 -2,-0.4 2,-0.7 -0.973 11.4-164.6-110.4 110.7 37.1 107.0 10.5 36 39 A A E -AC 19 100A 13 -17,-2.7 -17,-2.2 -2,-0.6 2,-0.6 -0.884 8.6-165.7 -97.0 108.2 37.9 110.0 8.3 37 40 A L E -AC 18 99A 3 62,-2.8 62,-2.8 -2,-0.7 2,-0.7 -0.851 14.1-149.6 -98.4 121.2 35.9 109.7 5.1 38 41 A T E -AC 17 98A 32 -21,-2.8 -22,-3.3 -2,-0.6 -21,-1.1 -0.845 28.0-170.0 -83.7 114.3 36.8 112.0 2.2 39 42 A V E -AC 15 97A 3 58,-2.9 58,-2.1 -2,-0.7 2,-0.5 -0.924 16.0-154.0-118.5 132.5 33.4 112.4 0.5 40 43 A Q E -AC 14 96A 30 -26,-3.0 -26,-2.2 -2,-0.4 56,-0.2 -0.909 19.1-130.7-105.3 122.0 32.6 113.9 -2.9 41 44 A S E -A 13 0A 0 54,-2.8 53,-2.6 -2,-0.5 -28,-0.3 -0.440 16.5-171.2 -67.4 139.3 29.1 115.4 -3.5 42 45 A Q + 0 0 32 -30,-3.0 2,-0.3 51,-0.2 -29,-0.2 0.219 68.5 61.6-107.5 9.2 27.4 114.3 -6.7 43 46 A E S > S- 0 0 79 -31,-0.5 3,-0.6 49,-0.2 2,-0.2 -0.958 83.5-109.2-134.0 153.0 24.6 116.9 -6.2 44 47 A D T 3 S+ 0 0 116 -2,-0.3 48,-0.2 1,-0.2 47,-0.1 -0.513 100.2 11.8 -71.6 146.3 24.1 120.6 -6.0 45 48 A N T 3 S- 0 0 84 46,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.863 80.9-178.0 55.7 44.6 23.2 122.1 -2.6 46 49 A L E < +H 91 0B 8 45,-2.5 45,-2.3 -3,-0.6 -1,-0.2 -0.656 13.8 164.3 -78.4 121.1 23.9 118.9 -0.7 47 50 A R E + 0 0 150 -2,-0.5 40,-2.2 1,-0.2 2,-0.3 0.497 58.2 19.0-119.3 -8.1 23.2 119.3 3.1 48 51 A S E -H 86 0B 51 38,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.988 54.2-170.6-152.6 159.4 23.0 115.8 4.5 49 52 A L E -H 85 0B 3 36,-1.6 36,-3.2 -2,-0.3 2,-0.4 -0.966 16.0-134.0-144.9 167.1 24.1 112.3 3.8 50 53 A V E -H 84 0B 31 -2,-0.3 -42,-2.9 34,-0.2 2,-0.3 -0.965 15.9-168.2-126.3 136.4 23.5 108.9 5.3 51 54 A L E -H 83 0B 3 32,-2.4 32,-2.9 -2,-0.4 2,-0.3 -0.851 25.0-111.3-118.1 156.6 25.9 106.1 6.2 52 55 A D E +HI 82 143B 0 91,-3.1 91,-1.6 -2,-0.3 2,-0.3 -0.658 38.4 169.3 -81.6 143.4 25.5 102.5 7.1 53 56 A T E -H 81 0B 2 28,-0.7 28,-1.8 -2,-0.3 2,-0.3 -0.964 16.8-166.4-145.2 159.2 26.3 101.3 10.7 54 57 A K S S- 0 0 16 84,-1.7 52,-0.3 -2,-0.3 3,-0.1 -0.848 75.8 -22.6-151.5 112.8 25.7 98.1 12.6 55 58 A D S S+ 0 0 64 -2,-0.3 51,-0.6 1,-0.2 2,-0.4 0.855 94.0 146.8 53.9 39.0 26.1 97.9 16.4 56 59 A L E -D 105 0A 14 49,-0.2 2,-0.6 25,-0.1 -1,-0.2 -0.861 44.7-142.6-102.5 141.0 28.4 100.9 16.4 57 60 A T E -D 104 0A 88 47,-2.8 47,-1.8 -2,-0.4 2,-0.5 -0.916 17.9-154.3 -98.1 123.2 28.6 103.4 19.3 58 61 A I E +D 103 0A 17 -2,-0.6 45,-0.2 45,-0.2 3,-0.1 -0.880 19.3 176.7-103.0 125.5 29.1 106.9 17.9 59 62 A E E - 0 0 138 43,-2.5 2,-0.3 -2,-0.5 -1,-0.2 0.860 64.3 -30.3 -89.0 -49.5 30.8 109.4 20.1 60 63 A K E -D 102 0A 59 42,-1.0 42,-2.7 2,-0.0 2,-0.4 -0.987 43.4-134.6-163.6 165.2 31.0 112.4 17.7 61 64 A V E -D 101 0A 1 7,-0.4 7,-2.6 -2,-0.3 2,-0.4 -0.997 24.3-163.9-131.3 126.7 31.2 113.6 14.1 62 65 A V E +DE 100 67A 21 38,-2.9 38,-2.7 -2,-0.4 2,-0.4 -0.944 13.8 170.4-122.3 126.9 33.6 116.4 13.2 63 66 A I E > S- E 0 66A 3 3,-2.3 3,-1.8 -2,-0.4 36,-0.1 -0.998 76.0 -1.0-131.7 136.4 33.7 118.5 10.1 64 67 A N T 3 S- 0 0 115 34,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.868 131.0 -58.7 50.9 39.7 35.9 121.6 9.7 65 68 A G T 3 S+ 0 0 61 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.538 118.4 96.4 73.9 8.4 37.2 121.2 13.2 66 69 A Q E < S-E 63 0A 142 -3,-1.8 -3,-2.3 0, 0.0 -1,-0.2 -0.954 78.1-104.8-129.5 150.8 33.7 121.3 14.9 67 70 A E E -E 62 0A 140 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.468 39.3-161.3 -70.3 140.1 31.2 118.8 16.1 68 71 A V - 0 0 19 -7,-2.6 -7,-0.4 -2,-0.1 2,-0.2 -0.789 23.2 -91.0-121.0 164.8 28.1 118.4 13.8 69 72 A K + 0 0 159 17,-0.3 17,-3.2 -2,-0.3 2,-0.3 -0.539 46.6 163.7 -76.9 139.7 24.6 117.0 14.2 70 73 A Y E -J 85 0B 76 15,-0.2 2,-0.3 -2,-0.2 15,-0.2 -0.960 18.8-155.9-147.9 160.7 23.9 113.4 13.4 71 74 A A E -J 84 0B 52 13,-2.0 13,-2.8 -2,-0.3 2,-0.5 -0.989 11.0-142.8-143.1 131.8 21.1 110.9 14.2 72 75 A L E -J 83 0B 78 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.843 24.7-146.3 -91.3 124.7 21.0 107.1 14.3 73 76 A G - 0 0 35 9,-3.3 2,-0.1 -2,-0.5 3,-0.1 -0.170 36.2 -67.4 -78.8 178.2 17.7 105.7 12.9 74 77 A E - 0 0 177 1,-0.1 -1,-0.2 7,-0.1 2,-0.1 -0.394 60.4 -97.3 -68.2 145.0 16.0 102.6 14.1 75 78 A R - 0 0 108 6,-0.2 2,-0.5 1,-0.1 6,-0.2 -0.385 26.7-156.1 -64.6 136.6 17.7 99.3 13.5 76 79 A Q > - 0 0 89 4,-2.9 3,-2.0 1,-0.3 4,-0.2 -0.644 41.7-104.4-114.1 69.6 16.5 97.4 10.4 77 80 A S G > S+ 0 0 81 -2,-0.5 3,-1.7 1,-0.3 -1,-0.3 -0.133 97.1 0.8 50.7-131.1 17.5 93.9 11.3 78 81 A Y G 3 S+ 0 0 28 1,-0.3 -1,-0.3 -3,-0.1 57,-0.0 0.656 127.0 66.4 -63.8 -18.8 20.6 92.6 9.5 79 82 A K G < S- 0 0 22 -3,-2.0 -26,-0.3 1,-0.2 -1,-0.3 0.655 95.6-148.1 -76.8 -15.7 21.0 95.9 7.6 80 83 A G < - 0 0 0 -3,-1.7 -4,-2.9 -4,-0.2 -26,-0.3 -0.496 33.8 -39.3 82.5-152.4 21.8 97.8 10.9 81 84 A S E -H 53 0B 23 -28,-1.8 -28,-0.7 -6,-0.2 2,-0.2 -0.949 51.2-126.1-121.9 128.9 21.0 101.4 11.6 82 85 A P E -H 52 0B 24 0, 0.0 -9,-3.3 0, 0.0 2,-0.6 -0.492 18.5-151.1 -74.3 141.2 21.2 104.4 9.2 83 86 A M E -HJ 51 72B 0 -32,-2.9 -32,-2.4 -11,-0.2 2,-0.5 -0.941 6.8-160.7-115.5 111.5 23.3 107.3 10.4 84 87 A E E -HJ 50 71B 95 -13,-2.8 -13,-2.0 -2,-0.6 2,-0.5 -0.797 6.2-162.0 -94.2 128.5 22.2 110.7 9.0 85 88 A I E -HJ 49 70B 0 -36,-3.2 -36,-1.6 -2,-0.5 2,-0.7 -0.934 11.8-140.5-114.7 130.8 24.8 113.5 9.2 86 89 A S E -H 48 0B 50 -17,-3.2 -17,-0.3 -2,-0.5 -38,-0.2 -0.813 19.8-138.2 -92.2 116.1 23.9 117.2 8.9 87 90 A L E - 0 0 16 -40,-2.2 3,-0.1 -2,-0.7 -17,-0.0 -0.498 3.0-141.9 -75.2 139.7 26.6 119.0 6.9 88 91 A P E S+ 0 0 71 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.818 88.1 28.8 -72.5 -29.8 27.5 122.4 8.3 89 92 A I E S- 0 0 112 -43,-0.1 -43,-0.1 -3,-0.0 2,-0.0 -1.000 91.7-110.5-133.8 130.0 27.8 124.0 4.8 90 93 A A E - 0 0 26 -2,-0.4 2,-0.3 -3,-0.1 -43,-0.2 -0.342 36.9-135.3 -57.9 135.5 25.9 123.0 1.7 91 94 A L E -H 46 0B 5 -45,-2.3 -45,-2.5 -47,-0.1 -46,-0.2 -0.754 5.5-137.0-101.2 141.8 28.1 121.4 -1.0 92 95 A S > - 0 0 55 -2,-0.3 3,-1.9 -48,-0.2 -51,-0.3 -0.455 48.3 -70.3 -83.2 164.3 28.2 122.0 -4.7 93 96 A K T 3 S+ 0 0 124 1,-0.3 -51,-0.2 -51,-0.2 -1,-0.1 -0.338 121.7 10.5 -57.3 133.0 28.5 119.2 -7.2 94 97 A N T 3 S+ 0 0 101 -53,-2.6 -1,-0.3 1,-0.3 2,-0.1 0.296 91.2 139.2 76.1 -4.3 32.0 117.6 -7.1 95 98 A Q < - 0 0 77 -3,-1.9 -54,-2.8 -55,-0.1 2,-0.4 -0.470 40.0-150.1 -68.5 139.7 33.0 119.4 -3.9 96 99 A E E +C 40 0A 99 -56,-0.2 2,-0.3 -2,-0.1 -56,-0.2 -0.914 18.6 172.6-115.0 139.3 34.9 117.2 -1.5 97 100 A I E -C 39 0A 19 -58,-2.1 -58,-2.9 -2,-0.4 2,-0.5 -0.935 29.4-119.9-134.8 165.0 35.0 117.4 2.3 98 101 A V E -C 38 0A 77 -2,-0.3 2,-0.6 -60,-0.2 -34,-0.5 -0.923 21.1-167.0-108.8 124.5 36.5 115.3 5.2 99 102 A I E -C 37 0A 1 -62,-2.8 -62,-2.8 -2,-0.5 2,-0.7 -0.952 5.6-159.9-113.4 115.0 34.1 113.8 7.8 100 103 A E E -CD 36 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152.4 21.8 56.5 2.1 509 512 A L - 0 0 14 29,-0.3 -36,-0.1 -2,-0.1 5,-0.1 -0.727 46.3 -74.6-101.6 164.7 23.5 53.2 1.1 510 513 A P >> - 0 0 76 0, 0.0 4,-1.7 0, 0.0 3,-0.9 -0.341 40.3-122.0 -59.7 145.6 22.9 50.1 3.2 511 514 A L H 3> S+ 0 0 64 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.882 112.3 56.4 -57.2 -42.9 24.8 50.1 6.6 512 515 A G H 3> S+ 0 0 39 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.822 104.6 53.5 -57.7 -35.3 26.6 46.9 5.7 513 516 A H H <> S+ 0 0 12 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.936 109.4 47.4 -64.4 -47.9 28.0 48.6 2.5 514 517 A I H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.887 110.8 51.3 -64.5 -39.7 29.4 51.5 4.4 515 518 A K H X S+ 0 0 106 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.924 110.9 49.3 -60.5 -43.4 31.0 49.2 7.0 516 519 A R H X S+ 0 0 43 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.894 105.8 57.0 -63.2 -40.6 32.6 47.3 4.1 517 520 A M H X>S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.5 0.915 110.1 44.2 -57.0 -43.7 33.9 50.5 2.5 518 521 A Q H X5S+ 0 0 34 -4,-1.9 4,-1.4 3,-0.2 -1,-0.2 0.891 111.4 55.0 -67.0 -39.2 35.7 51.3 5.8 519 522 A E H <5S+ 0 0 141 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.895 122.0 26.4 -60.5 -39.9 37.0 47.7 6.0 520 523 A V H <5S+ 0 0 21 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.742 133.1 30.4-100.8 -25.3 38.6 47.8 2.5 521 524 A Y H <5S- 0 0 15 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.629 82.9-145.8-110.1 -17.7 39.4 51.5 1.8 522 525 A N ><< + 0 0 83 -4,-1.4 3,-1.6 -5,-0.5 4,-0.2 0.909 30.4 168.1 50.9 49.8 40.0 52.8 5.4 523 526 A F G > + 0 0 0 -6,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.782 65.9 74.5 -64.2 -24.4 38.6 56.2 4.6 524 527 A N G 3 S+ 0 0 54 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.757 91.3 58.8 -54.6 -27.1 38.6 57.0 8.4 525 528 A A G < S+ 0 0 58 -3,-1.6 2,-0.4 2,-0.0 -1,-0.3 0.593 83.1 98.0 -78.4 -15.2 42.4 57.4 8.0 526 529 A I < - 0 0 41 -3,-1.8 -4,-0.0 -4,-0.2 -3,-0.0 -0.628 45.8-177.3 -85.6 130.3 42.2 60.2 5.3 527 530 A N + 0 0 130 -2,-0.4 2,-0.2 -246,-0.1 -1,-0.1 0.481 41.1 123.9-108.7 -2.8 42.6 63.7 6.7 528 531 A N > - 0 0 16 1,-0.1 4,-2.9 -247,-0.1 5,-0.3 -0.429 62.9-138.3 -49.6 117.8 42.1 65.6 3.4 529 532 A S H > S+ 0 0 12 -251,-0.5 4,-2.3 1,-0.2 5,-0.2 0.849 96.0 49.6 -61.4 -38.8 39.2 67.8 4.5 530 533 A E H > S+ 0 0 15 -252,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.939 115.9 42.2 -65.8 -47.3 37.1 67.5 1.3 531 534 A I H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.938 115.4 48.9 -64.5 -47.2 37.3 63.7 1.3 532 535 A R H X S+ 0 0 36 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.910 109.2 54.4 -63.2 -42.0 36.8 63.3 5.0 533 536 A F H X S+ 0 0 10 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.945 112.2 41.8 -51.1 -54.1 33.8 65.6 4.9 534 537 A R H X S+ 0 0 13 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.891 113.9 52.8 -67.7 -40.6 32.0 63.6 2.1 535 538 A W H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.927 110.9 46.6 -57.5 -47.6 32.9 60.3 3.8 536 539 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.902 111.1 51.4 -68.1 -37.7 31.5 61.4 7.1 537 540 A R H X S+ 0 0 59 -4,-2.4 4,-2.9 -5,-0.2 5,-0.3 0.930 110.0 50.4 -58.7 -45.0 28.3 62.7 5.5 538 541 A L H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -29,-0.3 0.921 112.4 47.3 -59.3 -44.8 27.9 59.3 3.7 539 542 A C H <>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 -2,-0.2 0.907 115.1 44.3 -62.0 -46.3 28.4 57.5 7.0 540 543 A I H ><5S+ 0 0 3 -4,-2.7 3,-1.7 3,-0.2 -2,-0.2 0.926 113.2 49.5 -70.0 -43.7 25.9 59.7 9.0 541 544 A Q H 3<5S+ 0 0 60 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.828 110.2 52.9 -63.3 -29.6 23.2 59.6 6.2 542 545 A S T 3<5S- 0 0 5 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.279 119.8-114.9 -89.4 8.2 23.6 55.8 6.1 543 546 A K T < 5 + 0 0 131 -3,-1.7 2,-0.9 1,-0.2 -3,-0.2 0.799 54.3 162.0 68.4 38.6 23.0 55.7 9.9 544 547 A W > < - 0 0 24 -5,-2.5 3,-1.5 1,-0.2 4,-0.4 -0.792 24.4-162.7 -90.7 107.2 26.4 54.5 11.1 545 548 A E G > S+ 0 0 100 -2,-0.9 3,-1.4 1,-0.3 -1,-0.2 0.791 84.6 67.7 -60.4 -30.0 26.6 55.3 14.8 546 549 A D G 3 S+ 0 0 108 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.783 96.9 56.0 -61.3 -28.2 30.4 54.8 14.9 547 550 A A G <> S+ 0 0 2 -3,-1.5 4,-2.6 1,-0.2 -1,-0.3 0.611 83.1 87.2 -80.3 -13.8 30.7 57.9 12.7 548 551 A I H <> S+ 0 0 8 -3,-1.4 4,-2.5 -4,-0.4 5,-0.2 0.944 91.3 43.1 -55.0 -54.2 28.8 60.2 15.1 549 552 A P H > S+ 0 0 80 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.849 114.1 52.1 -62.2 -32.1 31.8 61.2 17.3 550 553 A L H > S+ 0 0 44 -4,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.912 111.9 45.4 -67.1 -42.8 34.0 61.7 14.1 551 554 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.885 112.4 50.6 -70.9 -39.9 31.4 64.0 12.5 552 555 A L H X S+ 0 0 18 -4,-2.5 4,-1.4 -5,-0.3 -1,-0.2 0.909 111.2 49.8 -62.3 -42.6 30.9 66.0 15.8 553 556 A K H X S+ 0 0 109 -4,-2.0 4,-2.7 -5,-0.2 3,-0.4 0.940 113.4 44.2 -61.4 -49.7 34.7 66.4 16.1 554 557 A M H X S+ 0 0 18 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.922 110.7 56.0 -63.2 -40.7 35.1 67.6 12.5 555 558 A A H < S+ 0 0 2 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.805 120.5 28.8 -58.5 -33.2 32.0 69.9 12.8 556 559 A T H < S+ 0 0 44 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.687 108.4 64.3-105.8 -25.7 33.5 71.7 15.8 557 560 A E H < S+ 0 0 113 -4,-2.7 2,-0.3 -5,-0.2 -3,-0.1 0.588 117.3 24.4 -80.1 -13.8 37.3 71.5 15.5 558 561 A Q < - 0 0 19 -4,-0.9 -297,-0.3 -5,-0.2 -282,-0.0 -0.925 66.3-154.5-137.1 169.4 37.0 73.7 12.3 559 562 A G + 0 0 11 -299,-2.9 2,-0.3 -2,-0.3 -298,-0.1 0.151 36.9 142.1-135.5 19.9 34.4 76.1 11.2 560 563 A R >> - 0 0 12 -300,-0.3 4,-2.8 1,-0.2 3,-1.9 -0.512 49.6-139.1 -65.2 124.0 34.4 76.3 7.4 561 564 A M H 3> S+ 0 0 19 -298,-2.7 4,-1.9 -2,-0.3 -1,-0.2 0.848 97.9 66.0 -63.0 -32.0 30.7 76.6 6.7 562 565 A K H 34 S+ 0 0 87 -299,-0.4 -1,-0.3 1,-0.2 -298,-0.1 0.758 119.1 24.8 -54.6 -31.9 30.9 74.3 3.7 563 566 A F H <> S+ 0 0 0 -3,-1.9 4,-2.0 3,-0.1 -2,-0.2 0.813 122.1 50.5-100.0 -51.0 31.8 71.5 6.2 564 567 A T H X S+ 0 0 2 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.902 108.5 50.7 -62.8 -43.3 30.3 72.6 9.5 565 568 A R H X S+ 0 0 56 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.964 114.2 40.9 -66.5 -50.7 26.8 73.4 8.3 566 569 A P H > S+ 0 0 28 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.864 113.5 54.6 -67.1 -31.9 26.1 70.2 6.5 567 570 A L H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.957 111.7 43.9 -62.8 -49.8 27.7 68.1 9.2 568 571 A F H X S+ 0 0 2 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.906 114.1 51.0 -58.5 -41.7 25.5 69.6 11.9 569 572 A K H X S+ 0 0 103 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.930 112.1 46.2 -65.3 -43.0 22.4 69.3 9.6 570 573 A D H X S+ 0 0 16 -4,-2.7 4,-1.0 2,-0.2 -2,-0.2 0.923 112.6 50.1 -61.7 -46.5 23.2 65.6 8.9 571 574 A L H < S+ 0 0 0 -4,-2.6 6,-0.3 1,-0.2 10,-0.2 0.852 111.0 50.1 -60.7 -37.4 23.8 64.9 12.7 572 575 A A H < S+ 0 0 20 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.835 108.9 52.0 -67.3 -33.9 20.5 66.6 13.5 573 576 A A H < S+ 0 0 91 -4,-1.7 2,-0.6 -5,-0.2 -1,-0.2 0.655 93.1 83.6 -78.6 -17.3 18.6 64.5 10.9 574 577 A F S >X S- 0 0 11 -4,-1.0 4,-1.6 -3,-0.2 3,-1.2 -0.808 74.8-147.4 -90.4 115.1 20.0 61.3 12.3 575 578 A D T 34 S+ 0 0 114 -2,-0.6 4,-0.5 1,-0.3 3,-0.3 0.873 95.4 55.5 -52.5 -40.9 17.8 60.3 15.3 576 579 A K T 34 S+ 0 0 107 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.767 119.4 30.4 -66.2 -27.3 20.7 58.7 17.2 577 580 A S T <> S+ 0 0 0 -3,-1.2 4,-2.4 -6,-0.3 -1,-0.2 0.485 90.5 100.5-108.0 -4.9 22.8 61.9 17.1 578 581 A H H X S+ 0 0 76 -4,-1.6 4,-2.0 -3,-0.3 5,-0.2 0.878 85.3 43.2 -52.9 -50.4 20.1 64.6 17.1 579 582 A D H > S+ 0 0 102 -4,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.891 114.3 51.2 -67.3 -37.8 20.3 65.5 20.8 580 583 A Q H > S+ 0 0 71 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.866 108.1 53.4 -63.1 -38.9 24.1 65.5 20.8 581 584 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -10,-0.2 -2,-0.2 0.951 112.6 43.1 -61.2 -49.1 24.1 67.8 17.7 582 585 A V H X S+ 0 0 23 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.935 116.3 47.0 -63.5 -46.8 21.9 70.3 19.4 583 586 A R H X S+ 0 0 121 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.896 111.9 51.0 -63.0 -40.5 23.7 70.1 22.7 584 587 A T H X S+ 0 0 27 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.900 111.1 48.4 -64.4 -42.0 27.1 70.4 21.0 585 588 A Y H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 3,-0.5 0.959 111.2 50.5 -60.7 -50.1 25.9 73.5 19.1 586 589 A Q H < S+ 0 0 111 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.850 111.9 47.6 -56.6 -39.5 24.6 75.1 22.3 587 590 A E H < S+ 0 0 149 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.780 120.5 36.4 -73.4 -28.7 27.9 74.5 24.1 588 591 A H H >< S+ 0 0 69 -4,-1.5 3,-1.5 -3,-0.5 4,-0.3 0.618 90.9 93.4 -97.5 -15.7 30.0 75.9 21.3 589 592 A K G >< S+ 0 0 79 -4,-2.2 3,-1.4 1,-0.3 -2,-0.1 0.825 80.9 54.7 -50.5 -46.6 27.7 78.7 20.2 590 593 A A G 3 S+ 0 0 101 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.733 113.9 41.7 -63.2 -26.3 29.3 81.5 22.3 591 594 A S G < S+ 0 0 57 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.240 96.2 99.9-106.8 11.3 32.8 80.8 20.9 592 595 A M S < S- 0 0 35 -3,-1.4 -36,-0.0 -4,-0.3 -331,-0.0 -0.516 89.7 -84.0 -88.8 162.2 31.8 80.3 17.2 593 596 A H > - 0 0 4 -332,-0.2 4,-3.0 -2,-0.2 5,-0.2 -0.414 44.6-120.5 -57.2 138.3 32.1 82.9 14.5 594 597 A P H > S+ 0 0 41 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.839 110.2 45.0 -58.4 -37.5 28.9 85.1 14.7 595 598 A V H > S+ 0 0 5 -485,-0.3 4,-2.3 2,-0.2 5,-0.2 0.921 114.9 47.5 -71.8 -43.6 27.7 84.4 11.2 596 599 A T H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.916 111.0 52.6 -63.3 -42.2 28.4 80.7 11.5 597 600 A A H X S+ 0 0 7 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.907 110.5 48.2 -58.4 -44.4 26.6 80.6 14.9 598 601 A M H X S+ 0 0 53 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.931 114.5 44.3 -62.6 -45.5 23.6 82.3 13.4 599 602 A L H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.877 113.1 48.8 -73.8 -40.1 23.3 80.0 10.4 600 603 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.924 110.8 53.2 -63.7 -42.9 23.9 76.7 12.3 601 604 A G H X>S+ 0 0 4 -4,-2.0 5,-2.5 -5,-0.3 4,-0.7 0.912 111.3 45.3 -55.9 -45.1 21.2 77.8 14.8 602 605 A K H ><5S+ 0 0 127 -4,-1.9 3,-0.7 3,-0.2 -1,-0.2 0.904 111.6 52.0 -64.5 -43.3 18.8 78.4 11.9 603 606 A D H 3<5S+ 0 0 28 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.884 116.9 39.7 -58.6 -41.7 19.7 75.1 10.3 604 607 A L H 3<5S- 0 0 14 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.464 107.6-123.1 -87.7 -3.6 19.0 73.3 13.7 605 608 A K T <<5 + 0 0 193 -3,-0.7 2,-0.5 -4,-0.7 -3,-0.2 0.882 66.1 139.1 56.3 41.0 15.9 75.4 14.6 606 609 A V < 0 0 22 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.979 360.0 360.0-114.3 120.2 17.7 76.4 17.9 607 610 A D 0 0 201 -2,-0.5 -1,-0.1 -3,-0.1 -5,-0.1 0.389 360.0 360.0 -95.2 360.0 17.2 80.0 18.9