==== 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 3FUH . 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) . 24130.0 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 . 94 15.5 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 . 74 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 30.8 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 1 0 2 4 3 2 0 1 1 0 0 1 0 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 1 1 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,-0.9 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 137.0 19.8 101.0 -6.1 2 5 A D > - 0 0 15 1,-0.1 3,-1.7 305,-0.1 305,-0.0 -0.799 360.0-170.9-100.7 102.2 21.5 98.8 -3.5 3 6 A T T 3 S+ 0 0 44 -2,-0.9 365,-0.4 1,-0.3 -1,-0.1 0.500 83.1 62.3 -74.1 -2.5 18.7 97.2 -1.4 4 7 A C T 3 S+ 0 0 1 363,-0.1 2,-0.4 364,-0.1 -1,-0.3 0.542 96.9 71.4 -93.3 -7.9 21.2 95.9 1.0 5 8 A S < - 0 0 19 -3,-1.7 141,-0.1 1,-0.1 -3,-0.1 -0.866 52.7-168.7-117.2 143.0 22.4 99.3 2.0 6 9 A L + 0 0 36 -2,-0.4 -1,-0.1 73,-0.2 138,-0.1 0.375 62.5 103.5-102.0 -1.6 20.8 102.1 4.1 7 10 A A S S- 0 0 12 1,-0.2 44,-0.3 136,-0.1 -2,-0.1 -0.259 88.6 -80.1 -78.4 163.2 23.4 104.7 3.1 8 11 A S - 0 0 14 42,-2.7 -1,-0.2 1,-0.1 44,-0.1 -0.446 58.2-117.0 -56.7 135.8 23.1 107.5 0.5 9 12 A P >> - 0 0 54 0, 0.0 3,-2.2 0, 0.0 4,-1.9 -0.279 24.3 -99.2 -77.3 169.4 23.7 106.0 -2.9 10 13 A A T 34 S+ 0 0 11 1,-0.3 -2,-0.1 2,-0.2 134,-0.0 0.706 120.7 63.9 -63.7 -22.6 26.5 106.8 -5.3 11 14 A S T 34 S+ 0 0 84 1,-0.1 -1,-0.3 30,-0.0 3,-0.1 0.636 109.7 40.4 -74.8 -14.0 24.3 109.1 -7.3 12 15 A V T <4 S- 0 0 25 -3,-2.2 30,-2.9 1,-0.4 31,-0.4 0.851 133.5 -19.7 -97.7 -53.3 24.0 111.4 -4.2 13 16 A C E < -A 41 0A 1 -4,-1.9 -1,-0.4 28,-0.3 2,-0.4 -0.977 56.8-145.2-156.3 160.6 27.6 111.2 -2.8 14 17 A R E -A 40 0A 94 26,-2.2 26,-3.0 -2,-0.3 2,-0.4 -0.990 15.1-132.2-138.7 123.7 30.7 109.0 -3.1 15 18 A T E +A 39 0A 3 -2,-0.4 24,-0.2 24,-0.2 135,-0.1 -0.633 24.3 177.8 -72.6 125.1 33.4 108.1 -0.6 16 19 A K E + 0 0 83 22,-3.1 136,-2.1 -2,-0.4 2,-0.3 0.720 62.4 7.7 -96.7 -32.1 36.8 108.6 -2.2 17 20 A H E -Ab 38 152A 45 21,-1.2 21,-2.5 134,-0.3 2,-0.4 -0.994 53.9-153.7-154.1 146.6 39.1 107.7 0.7 18 21 A L E -Ab 37 153A 2 134,-1.7 136,-2.3 -2,-0.3 2,-0.6 -0.996 4.2-168.6-120.7 126.6 39.0 106.3 4.2 19 22 A H E -Ab 36 154A 49 17,-2.7 17,-2.8 -2,-0.4 2,-0.6 -0.957 14.9-166.7-109.5 115.2 41.7 107.1 6.8 20 23 A L E +Ab 35 155A 5 134,-2.5 136,-2.6 -2,-0.6 2,-0.5 -0.877 12.9 178.2-105.5 119.2 41.2 104.7 9.8 21 24 A R E +Ab 34 156A 102 13,-2.8 13,-2.9 -2,-0.6 2,-0.3 -0.973 25.9 148.9-117.0 114.0 43.0 105.3 13.1 22 25 A C E -Ab 33 157A 11 134,-2.6 136,-3.2 -2,-0.5 2,-0.4 -0.920 39.4-139.7-145.1 167.3 42.1 102.7 15.6 23 26 A S E -Ab 32 158A 38 9,-2.2 9,-2.1 -2,-0.3 2,-0.7 -0.995 20.0-135.6-129.6 135.1 43.2 100.7 18.7 24 27 A V E -A 31 0A 0 134,-3.0 2,-0.8 -2,-0.4 7,-0.2 -0.814 18.2-165.4 -96.2 114.7 42.4 97.0 19.2 25 28 A D E >> +A 30 0A 39 5,-2.9 5,-1.6 -2,-0.7 4,-1.5 -0.825 12.7 177.4-106.2 100.1 41.3 96.4 22.8 26 29 A F T 45S+ 0 0 38 -2,-0.8 -1,-0.2 1,-0.2 101,-0.1 0.812 79.8 59.8 -71.9 -30.3 41.3 92.7 23.6 27 30 A T T 45S+ 0 0 138 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.891 121.4 25.7 -63.4 -38.6 40.3 93.2 27.3 28 31 A R T 45S- 0 0 121 2,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.532 101.0-128.5-102.2 -10.4 37.0 94.8 26.1 29 32 A R T <5 + 0 0 91 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.923 66.9 126.1 56.7 47.9 36.8 93.1 22.6 30 33 A T E < -A 25 0A 4 -5,-1.6 -5,-2.9 77,-0.1 2,-0.5 -0.950 57.3-143.7-132.0 150.1 36.3 96.5 21.0 31 34 A L E -A 24 0A 2 -2,-0.3 74,-2.2 -7,-0.2 2,-0.4 -0.982 30.1-172.5-109.4 127.3 37.9 98.4 18.2 32 35 A T E +AC 23 104A 49 -9,-2.1 -9,-2.2 -2,-0.5 2,-0.3 -0.956 27.6 67.5-124.9 139.9 38.0 102.1 19.0 33 36 A G E -AC 22 103A 17 70,-2.3 70,-2.6 -2,-0.4 2,-0.4 -0.992 69.4 -42.3 160.5-148.1 39.0 105.2 17.0 34 37 A T E -AC 21 102A 18 -13,-2.9 -13,-2.8 -2,-0.3 2,-0.6 -0.970 23.9-161.4-128.4 137.2 38.3 107.4 14.1 35 38 A A E -AC 20 101A 0 66,-2.2 66,-2.7 -2,-0.4 2,-0.7 -0.977 13.6-163.6-113.0 112.5 37.2 106.9 10.5 36 39 A A E -AC 19 100A 12 -17,-2.8 -17,-2.7 -2,-0.6 2,-0.6 -0.907 8.3-165.2-100.6 112.3 37.9 109.9 8.4 37 40 A L E -AC 18 99A 4 62,-2.8 62,-2.5 -2,-0.7 2,-0.7 -0.885 13.9-151.0-103.3 118.9 35.9 109.7 5.2 38 41 A T E -AC 17 98A 32 -21,-2.5 -22,-3.1 -2,-0.6 -21,-1.2 -0.827 27.7-170.0 -83.9 114.9 36.7 112.0 2.2 39 42 A V E -AC 15 97A 3 58,-3.1 58,-2.3 -2,-0.7 2,-0.5 -0.935 15.8-153.7-119.7 130.6 33.3 112.3 0.6 40 43 A Q E -AC 14 96A 32 -26,-3.0 -26,-2.2 -2,-0.4 56,-0.2 -0.893 19.6-129.8-103.2 123.9 32.6 113.9 -2.8 41 44 A S E -A 13 0A 0 54,-2.9 53,-2.6 -2,-0.5 -28,-0.3 -0.438 17.3-171.6 -68.8 140.7 29.1 115.4 -3.4 42 45 A Q + 0 0 34 -30,-2.9 2,-0.3 51,-0.2 -29,-0.2 0.276 67.6 58.9-110.8 8.8 27.3 114.2 -6.6 43 46 A E S > S- 0 0 79 -31,-0.4 3,-0.5 49,-0.2 2,-0.2 -0.948 84.5-105.6-134.9 151.2 24.5 116.8 -6.2 44 47 A D T 3 S+ 0 0 119 -2,-0.3 48,-0.2 1,-0.2 47,-0.1 -0.478 100.4 11.0 -65.0 145.6 23.9 120.5 -6.0 45 48 A N T 3 S- 0 0 82 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.856 79.8-177.1 56.1 44.9 23.1 121.9 -2.5 46 49 A L E < +H 91 0B 8 45,-2.5 45,-2.2 -3,-0.5 -1,-0.2 -0.653 13.9 165.2 -79.5 121.8 23.9 118.8 -0.5 47 50 A R E + 0 0 157 -2,-0.5 40,-2.3 1,-0.2 2,-0.3 0.533 58.7 15.8-118.1 -10.0 23.1 119.3 3.2 48 51 A S E -H 86 0B 50 38,-0.2 2,-0.3 40,-0.0 -1,-0.2 -0.989 54.6-166.9-156.2 162.7 23.0 115.8 4.6 49 52 A L E -H 85 0B 3 36,-1.8 36,-3.0 -2,-0.3 2,-0.4 -0.975 15.5-132.4-149.3 164.6 24.1 112.3 4.0 50 53 A V E -H 84 0B 28 -2,-0.3 -42,-2.7 34,-0.2 2,-0.3 -0.950 17.2-168.2-124.5 138.0 23.4 108.8 5.4 51 54 A L E -H 83 0B 2 32,-2.4 32,-2.8 -2,-0.4 2,-0.3 -0.899 24.2-112.6-120.7 152.8 25.9 106.0 6.3 52 55 A D E +HI 82 143B 0 91,-2.8 91,-1.6 -2,-0.3 2,-0.3 -0.630 39.0 166.5 -78.7 140.8 25.5 102.4 7.2 53 56 A T E -H 81 0B 2 28,-0.6 28,-1.6 -2,-0.3 2,-0.3 -0.953 17.9-165.9-143.7 162.0 26.3 101.2 10.7 54 57 A K S S- 0 0 16 84,-1.5 52,-0.3 -2,-0.3 56,-0.1 -0.852 76.0 -22.1-153.2 113.3 25.7 98.0 12.7 55 58 A D S S+ 0 0 63 -2,-0.3 51,-0.5 1,-0.2 2,-0.4 0.813 94.1 147.6 55.2 36.6 26.1 97.8 16.5 56 59 A L E -D 105 0A 14 49,-0.2 2,-0.6 25,-0.1 49,-0.2 -0.809 44.6-141.2-101.1 142.0 28.5 100.8 16.5 57 60 A T E -D 104 0A 84 47,-3.1 47,-1.5 -2,-0.4 2,-0.5 -0.914 17.7-154.1-102.1 119.2 28.7 103.3 19.3 58 61 A I E +D 103 0A 16 -2,-0.6 45,-0.2 45,-0.2 3,-0.1 -0.824 19.1 176.2 -98.8 124.7 29.1 106.8 18.0 59 62 A E E - 0 0 140 43,-2.5 2,-0.3 -2,-0.5 -1,-0.2 0.870 63.7 -31.7 -89.1 -46.4 30.9 109.3 20.2 60 63 A K E -D 102 0A 66 42,-1.0 42,-2.6 2,-0.0 2,-0.4 -0.981 44.2-132.9-169.1 162.2 31.0 112.3 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 23.9-164.6-131.1 124.2 31.2 113.5 14.2 62 65 A V E +DE 100 67A 21 38,-3.1 38,-2.8 -2,-0.4 2,-0.4 -0.941 13.5 169.7-119.6 128.5 33.7 116.3 13.3 63 66 A I E > S- E 0 66A 4 3,-2.6 3,-1.8 -2,-0.5 36,-0.1 -0.998 75.5 -1.0-133.4 133.8 33.8 118.4 10.1 64 67 A N T 3 S- 0 0 111 34,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.880 131.3 -58.1 54.3 40.2 36.0 121.6 9.7 65 68 A G T 3 S+ 0 0 64 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.478 118.9 100.8 73.0 4.2 37.2 121.1 13.3 66 69 A Q E < S-E 63 0A 141 -3,-1.8 -3,-2.6 0, 0.0 2,-0.2 -0.938 75.9-109.7-124.6 146.6 33.7 121.3 14.8 67 70 A E E -E 62 0A 138 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.464 38.1-162.0 -68.1 136.9 31.2 118.8 16.1 68 71 A V - 0 0 25 -7,-2.7 -7,-0.4 -2,-0.2 2,-0.2 -0.774 23.2 -92.3-119.0 165.2 28.1 118.4 13.9 69 72 A K + 0 0 169 17,-0.3 17,-2.6 -2,-0.3 2,-0.3 -0.523 46.0 166.5 -77.0 141.3 24.7 117.0 14.4 70 73 A Y E -J 85 0B 78 15,-0.2 2,-0.3 -2,-0.2 15,-0.2 -0.967 17.4-155.8-147.5 161.0 23.9 113.4 13.6 71 74 A A E -J 84 0B 56 13,-2.2 13,-2.6 -2,-0.3 2,-0.5 -0.998 11.1-141.5-143.6 137.9 21.1 110.9 14.3 72 75 A L E -J 83 0B 78 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.886 23.8-145.2 -99.1 122.9 21.0 107.1 14.4 73 76 A G - 0 0 32 9,-3.2 3,-0.1 -2,-0.5 2,-0.1 -0.222 36.4 -70.9 -77.6 174.2 17.8 105.6 12.9 74 77 A E - 0 0 174 1,-0.1 -1,-0.2 7,-0.1 2,-0.0 -0.352 60.7 -93.6 -67.3 145.7 16.0 102.6 14.2 75 78 A R - 0 0 105 6,-0.2 2,-0.4 1,-0.1 6,-0.2 -0.332 28.6-156.9 -61.9 137.0 17.7 99.2 13.6 76 79 A Q > - 0 0 94 4,-3.2 3,-2.0 1,-0.3 4,-0.2 -0.596 41.5-104.6-115.6 68.2 16.6 97.4 10.5 77 80 A S G > S- 0 0 83 -2,-0.4 3,-1.5 1,-0.3 -1,-0.3 -0.193 96.2 -2.0 52.6-129.9 17.5 93.8 11.4 78 81 A Y G 3 S+ 0 0 34 1,-0.3 -1,-0.3 -3,-0.1 57,-0.0 0.633 127.7 67.9 -67.6 -17.2 20.6 92.5 9.7 79 82 A K G < S- 0 0 20 -3,-2.0 -26,-0.3 1,-0.2 -1,-0.3 0.614 95.5-148.9 -75.5 -14.9 21.0 95.8 7.8 80 83 A G < - 0 0 0 -3,-1.5 -4,-3.2 -4,-0.2 -26,-0.3 -0.466 34.2 -39.8 81.8-150.4 21.8 97.7 11.0 81 84 A S E -H 53 0B 22 -28,-1.6 -28,-0.6 -6,-0.2 -6,-0.2 -0.960 51.4-124.1-122.4 129.8 21.0 101.3 11.7 82 85 A P E -H 52 0B 24 0, 0.0 -9,-3.2 0, 0.0 2,-0.6 -0.438 19.4-150.0 -70.9 141.4 21.2 104.3 9.3 83 86 A M E -HJ 51 72B 0 -32,-2.8 -32,-2.4 -11,-0.2 2,-0.4 -0.939 8.0-161.8-115.6 109.1 23.3 107.2 10.4 84 87 A E E -HJ 50 71B 100 -13,-2.6 -13,-2.2 -2,-0.6 2,-0.4 -0.772 5.6-163.7 -91.4 130.6 22.2 110.7 9.1 85 88 A I E -HJ 49 70B 0 -36,-3.0 -36,-1.8 -2,-0.4 2,-0.7 -0.968 12.9-140.7-118.4 130.7 24.9 113.4 9.3 86 89 A S E -H 48 0B 52 -17,-2.6 -17,-0.3 -2,-0.4 -38,-0.2 -0.814 20.2-139.0 -90.2 114.2 24.0 117.1 9.0 87 90 A L E - 0 0 15 -40,-2.3 3,-0.1 -2,-0.7 -18,-0.0 -0.493 5.0-139.1 -74.3 142.5 26.6 118.9 7.0 88 91 A P E S+ 0 0 72 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.784 88.8 29.0 -76.2 -25.9 27.5 122.4 8.4 89 92 A I E S- 0 0 111 -43,-0.1 -43,-0.1 -42,-0.0 2,-0.0 -0.998 91.2-110.5-134.2 129.2 27.7 124.0 4.9 90 93 A A E - 0 0 29 -2,-0.4 2,-0.3 -3,-0.1 -43,-0.2 -0.300 36.5-136.5 -54.0 136.2 25.7 122.9 1.8 91 94 A L E -H 46 0B 5 -45,-2.2 -45,-2.5 -47,-0.1 2,-0.2 -0.774 4.7-140.0-103.9 142.4 28.0 121.3 -0.9 92 95 A S > - 0 0 59 -2,-0.3 3,-1.9 -48,-0.2 -51,-0.3 -0.488 49.7 -66.1 -87.2 167.3 28.0 122.0 -4.7 93 96 A K T 3 S+ 0 0 122 1,-0.3 -51,-0.2 -2,-0.2 -1,-0.2 -0.292 121.4 9.4 -57.5 132.7 28.4 119.1 -7.2 94 97 A N T 3 S+ 0 0 94 -53,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.349 90.0 141.0 77.7 -2.6 31.9 117.5 -7.0 95 98 A Q < - 0 0 79 -3,-1.9 -54,-2.9 -55,-0.1 2,-0.4 -0.497 40.0-147.9 -68.1 139.2 32.9 119.4 -3.9 96 99 A E E +C 40 0A 98 -56,-0.2 2,-0.3 -2,-0.2 -56,-0.2 -0.912 20.6 170.7-113.2 136.2 34.9 117.2 -1.5 97 100 A I E -C 39 0A 20 -58,-2.3 -58,-3.1 -2,-0.4 2,-0.5 -0.931 28.6-121.9-134.1 166.2 34.9 117.3 2.3 98 101 A V E -C 38 0A 76 -2,-0.3 2,-0.5 -60,-0.2 -34,-0.5 -0.932 19.2-167.3-113.0 127.6 36.3 115.2 5.2 99 102 A I E -C 37 0A 2 -62,-2.5 -62,-2.8 -2,-0.5 2,-0.6 -0.962 5.7-159.5-115.7 118.2 34.1 113.8 7.9 100 103 A E E -CD 36 62A 80 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81.7 102.3 -80.5 -17.1 42.2 57.4 8.0 526 529 A I < - 0 0 38 -3,-1.6 -4,-0.0 -4,-0.3 -3,-0.0 -0.562 46.1-174.0 -79.2 129.9 42.1 60.2 5.4 527 530 A N + 0 0 142 -2,-0.3 -1,-0.1 -246,-0.1 2,-0.1 0.569 46.0 119.8 -97.0 -16.5 42.8 63.7 6.6 528 531 A N > - 0 0 16 1,-0.2 4,-3.0 -247,-0.1 5,-0.2 -0.350 62.7-141.8 -48.8 119.0 42.0 65.5 3.4 529 532 A S H > S+ 0 0 12 -251,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.854 95.1 49.6 -64.3 -37.7 39.1 67.8 4.5 530 533 A E H > S+ 0 0 15 2,-0.2 4,-2.0 -252,-0.2 -1,-0.2 0.933 115.4 43.6 -65.6 -47.4 37.0 67.5 1.4 531 534 A I H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.939 114.5 48.9 -61.0 -48.9 37.2 63.7 1.4 532 535 A R H X S+ 0 0 43 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.933 109.6 54.0 -60.8 -44.6 36.6 63.4 5.1 533 536 A F H X S+ 0 0 10 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.935 112.4 41.3 -51.6 -54.8 33.6 65.7 4.9 534 537 A R H X S+ 0 0 13 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.879 115.2 51.8 -67.6 -37.9 31.8 63.7 2.2 535 538 A W H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.932 110.7 47.3 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40.3 -60.5 -53.6 26.7 73.5 8.4 566 569 A P H > S+ 0 0 26 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.838 113.8 55.0 -66.4 -30.7 25.9 70.3 6.5 567 570 A L H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.963 112.0 42.9 -65.2 -47.8 27.6 68.1 9.2 568 571 A F H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.902 114.9 51.4 -58.3 -42.1 25.4 69.7 12.0 569 572 A K H X S+ 0 0 99 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.913 111.7 45.4 -64.9 -44.1 22.3 69.4 9.7 570 573 A D H X S+ 0 0 17 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.905 112.8 51.3 -61.3 -45.5 23.0 65.7 8.9 571 574 A L H < S+ 0 0 0 -4,-2.6 6,-0.3 1,-0.2 10,-0.3 0.854 109.5 50.8 -60.6 -37.0 23.6 65.1 12.7 572 575 A A H < S+ 0 0 20 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.831 108.7 52.0 -68.1 -34.4 20.3 66.8 13.5 573 576 A A H < S+ 0 0 90 -4,-1.6 2,-0.7 -5,-0.2 -1,-0.2 0.647 92.0 83.0 -79.2 -18.3 18.4 64.7 10.9 574 577 A F S >X S- 0 0 13 -4,-1.1 3,-1.5 -3,-0.2 4,-1.4 -0.812 75.4-146.7 -88.7 115.6 19.8 61.3 12.4 575 578 A D T 34 S+ 0 0 122 -2,-0.7 4,-0.5 1,-0.3 3,-0.2 0.827 95.1 56.3 -55.9 -34.6 17.5 60.4 15.3 576 579 A K T 34 S+ 0 0 120 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.746 119.1 30.5 -68.9 -25.5 20.4 58.8 17.2 577 580 A S T <> S+ 0 0 0 -3,-1.5 4,-2.9 -6,-0.3 -1,-0.2 0.466 91.0 100.0-110.9 -3.7 22.6 62.0 17.1 578 581 A H H X S+ 0 0 73 -4,-1.4 4,-2.3 1,-0.2 5,-0.2 0.913 86.1 42.6 -52.3 -55.3 19.9 64.7 17.1 579 582 A D H > S+ 0 0 98 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.893 115.0 50.9 -62.1 -40.5 20.0 65.6 20.8 580 583 A Q H > S+ 0 0 74 2,-0.2 4,-3.0 -4,-0.2 5,-0.2 0.921 108.7 53.3 -58.0 -46.4 23.9 65.5 20.8 581 584 A A H X S+ 0 0 0 -4,-2.9 4,-2.0 -10,-0.3 -2,-0.2 0.939 112.6 42.2 -55.2 -51.0 23.9 67.8 17.7 582 585 A V H X S+ 0 0 23 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.902 116.8 48.8 -65.3 -39.5 21.7 70.4 19.4 583 586 A R H X S+ 0 0 115 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.880 110.0 50.6 -65.9 -40.5 23.6 70.1 22.7 584 587 A T H X S+ 0 0 26 -4,-3.0 4,-1.4 2,-0.2 -1,-0.2 0.890 111.2 49.2 -69.0 -39.1 27.0 70.5 21.0 585 588 A Y H >X S+ 0 0 1 -4,-2.0 4,-2.4 -5,-0.2 3,-0.7 0.961 110.7 49.6 -60.4 -52.7 25.9 73.6 19.2 586 589 A Q H 3< S+ 0 0 111 -4,-2.4 4,-0.4 1,-0.3 -2,-0.2 0.841 112.5 48.1 -57.7 -37.0 24.5 75.2 22.4 587 590 A E H 3< S+ 0 0 145 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.764 120.8 35.8 -74.1 -26.5 27.7 74.4 24.2 588 591 A H H X< S+ 0 0 70 -4,-1.4 3,-1.4 -3,-0.7 4,-0.3 0.641 90.6 94.6 -99.8 -19.5 29.9 75.8 21.4 589 592 A K G >< S+ 0 0 66 -4,-2.4 3,-1.3 1,-0.3 -2,-0.1 0.776 80.6 53.9 -47.5 -46.5 27.7 78.7 20.2 590 593 A A G 3 S+ 0 0 103 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.797 113.2 43.0 -64.4 -30.7 29.3 81.5 22.4 591 594 A S G < S+ 0 0 59 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.2 0.259 97.3 100.3-101.7 13.5 32.8 80.8 21.1 592 595 A M S < S- 0 0 33 -3,-1.3 -36,-0.0 -4,-0.3 -331,-0.0 -0.487 89.2 -85.7 -88.4 163.5 31.8 80.3 17.4 593 596 A H > - 0 0 4 -332,-0.2 4,-3.1 -2,-0.1 5,-0.2 -0.472 43.1-121.3 -60.7 137.9 32.1 82.9 14.6 594 597 A P H > S+ 0 0 41 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.870 110.0 44.5 -54.8 -41.5 29.0 85.2 14.8 595 598 A V H > S+ 0 0 9 -485,-0.3 4,-2.4 2,-0.2 5,-0.2 0.952 115.8 46.5 -68.9 -48.9 27.8 84.4 11.2 596 599 A T H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.914 111.8 52.2 -57.0 -46.0 28.4 80.7 11.6 597 600 A A H X S+ 0 0 8 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.940 110.8 48.3 -55.8 -48.6 26.6 80.7 15.0 598 601 A M H X S+ 0 0 56 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.916 114.8 43.3 -59.6 -45.3 23.6 82.4 13.5 599 602 A L H X S+ 0 0 3 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.905 112.9 49.7 -74.7 -41.9 23.3 80.1 10.4 600 603 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.914 110.0 54.3 -59.8 -43.2 23.8 76.8 12.3 601 604 A G H <>S+ 0 0 4 -4,-2.2 5,-2.6 -5,-0.3 4,-0.4 0.924 111.7 43.4 -53.4 -49.4 21.2 78.0 14.8 602 605 A K H ><5S+ 0 0 123 -4,-1.9 3,-1.1 3,-0.2 -2,-0.2 0.913 112.4 53.4 -62.7 -44.9 18.7 78.6 12.0 603 606 A D H 3<5S+ 0 0 26 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.899 114.8 41.0 -54.5 -45.1 19.7 75.3 10.3 604 607 A L T 3<5S- 0 0 14 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.442 109.0-123.3 -83.8 -2.6 19.0 73.4 13.6 605 608 A K T < 5 + 0 0 194 -3,-1.1 2,-0.3 -4,-0.4 -3,-0.2 0.898 65.1 139.3 52.3 45.9 15.8 75.4 14.4 606 609 A V < 0 0 32 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.882 360.0 360.0-120.3 155.9 17.3 76.5 17.8 607 610 A D 0 0 160 -2,-0.3 -5,-0.0 -3,-0.1 0, 0.0 -0.409 360.0 360.0 46.5 360.0 17.2 79.9 19.5