==== 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 3FUF . 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) . 24220.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 442 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 15.2 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 . 78 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 32.0 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 0 1 0 4 2 3 1 1 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 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 . 1 0 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,-0.7 0, 0.0 306,-0.0 0.000 360.0 360.0 360.0 115.5 19.0 13.7 6.2 2 5 A D > - 0 0 17 1,-0.1 3,-1.0 305,-0.1 305,-0.1 -0.702 360.0-170.3 -91.5 112.3 17.4 11.4 3.5 3 6 A T T 3 S+ 0 0 39 -2,-0.7 365,-0.4 1,-0.3 -1,-0.1 0.503 82.3 60.8 -86.3 -2.6 20.1 9.9 1.4 4 7 A C T 3 S+ 0 0 0 363,-0.1 2,-0.3 364,-0.1 -1,-0.3 0.440 96.9 73.5 -94.6 -4.9 17.7 8.5 -1.2 5 8 A S < - 0 0 20 -3,-1.0 139,-0.1 1,-0.1 141,-0.1 -0.870 53.7-167.1-116.2 150.2 16.4 12.0 -2.1 6 9 A L + 0 0 35 -2,-0.3 -1,-0.1 73,-0.2 138,-0.1 0.381 60.7 107.4-106.7 -2.5 18.0 14.8 -4.1 7 10 A A S S- 0 0 11 1,-0.1 44,-0.3 136,-0.1 -2,-0.1 -0.236 87.1 -85.7 -78.1 162.3 15.4 17.4 -3.0 8 11 A S - 0 0 15 42,-2.5 -1,-0.1 1,-0.1 44,-0.1 -0.524 60.0-114.4 -60.6 136.2 15.9 20.2 -0.5 9 12 A P >> - 0 0 58 0, 0.0 3,-2.7 0, 0.0 4,-1.7 -0.209 23.8 -96.6 -76.4 166.1 15.3 18.6 2.9 10 13 A A T 34 S+ 0 0 12 1,-0.3 -2,-0.1 2,-0.2 134,-0.0 0.728 120.6 65.4 -54.0 -28.1 12.5 19.3 5.3 11 14 A S T 34 S+ 0 0 89 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.656 110.5 38.2 -69.3 -11.9 14.7 21.7 7.3 12 15 A V T <4 S- 0 0 24 -3,-2.7 30,-3.2 1,-0.4 31,-0.4 0.840 133.1 -15.8-104.9 -53.7 14.8 24.0 4.3 13 16 A C E < -A 41 0A 0 -4,-1.7 -1,-0.4 28,-0.3 2,-0.4 -0.981 57.1-152.4-154.2 156.1 11.3 23.8 2.8 14 17 A R E -A 40 0A 101 26,-2.0 26,-2.7 -2,-0.3 2,-0.5 -0.993 17.1-129.5-135.9 128.8 8.3 21.5 3.2 15 18 A T E +A 39 0A 5 -2,-0.4 24,-0.2 24,-0.2 135,-0.2 -0.730 24.0 177.5 -78.1 127.1 5.5 20.7 0.8 16 19 A K E + 0 0 87 22,-2.5 136,-2.2 -2,-0.5 2,-0.3 0.702 63.1 10.0 -96.0 -30.0 2.1 21.2 2.4 17 20 A H E -Ab 38 152A 48 21,-1.1 21,-3.0 134,-0.3 2,-0.5 -0.996 52.1-156.0-158.6 143.6 -0.2 20.4 -0.6 18 21 A L E -Ab 37 153A 1 134,-1.7 136,-2.3 -2,-0.3 2,-0.6 -0.990 4.2-169.1-123.0 122.4 -0.3 19.0 -4.2 19 22 A H E -Ab 36 154A 50 17,-1.9 17,-2.8 -2,-0.5 2,-0.5 -0.975 16.3-168.1-108.9 121.5 -3.0 19.9 -6.7 20 23 A L E +Ab 35 155A 5 134,-2.1 136,-2.8 -2,-0.6 2,-0.5 -0.942 15.1 177.0-118.1 123.1 -2.5 17.5 -9.7 21 24 A R E +Ab 34 156A 103 13,-2.3 13,-2.5 -2,-0.5 2,-0.3 -0.994 24.9 150.4-122.4 118.2 -4.3 18.0 -13.0 22 25 A C E -Ab 33 157A 9 134,-2.1 136,-3.0 -2,-0.5 2,-0.4 -0.968 37.7-137.8-152.5 164.0 -3.3 15.5 -15.6 23 26 A S E -Ab 32 158A 40 9,-2.8 9,-2.4 -2,-0.3 2,-0.5 -0.977 17.7-139.7-128.4 135.5 -4.4 13.5 -18.6 24 27 A V E -A 31 0A 0 134,-2.5 2,-0.6 -2,-0.4 7,-0.2 -0.835 14.9-167.1 -97.2 128.1 -3.6 9.8 -19.3 25 28 A D E >> -A 30 0A 43 5,-2.6 5,-1.3 -2,-0.5 4,-1.3 -0.886 11.1-176.8-123.0 102.4 -2.7 8.9 -22.8 26 29 A F T 45S+ 0 0 37 -2,-0.6 -1,-0.1 1,-0.2 101,-0.1 0.790 83.0 59.2 -68.3 -24.6 -2.7 5.2 -23.6 27 30 A T T 45S+ 0 0 137 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.842 121.3 25.0 -73.7 -34.9 -1.4 5.8 -27.2 28 31 A R T 45S- 0 0 117 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.476 101.0-130.0-104.6 -0.9 1.7 7.5 -26.0 29 32 A R T <5 + 0 0 90 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.921 64.8 128.9 40.5 54.1 1.9 5.8 -22.5 30 33 A T E < -A 25 0A 4 -5,-1.3 -5,-2.6 77,-0.1 2,-0.5 -0.960 56.8-144.5-127.0 148.7 2.3 9.2 -20.9 31 34 A L E -A 24 0A 1 -2,-0.3 74,-2.3 -7,-0.2 2,-0.4 -0.970 27.4-173.4 -98.8 133.5 0.8 11.3 -18.1 32 35 A T E +AC 23 104A 52 -9,-2.4 -9,-2.8 -2,-0.5 2,-0.3 -0.983 28.7 80.1-127.4 136.8 0.8 14.9 -19.1 33 36 A G E -AC 22 103A 16 70,-2.7 70,-3.2 -2,-0.4 2,-0.4 -0.999 66.5 -57.2 166.6-163.9 -0.2 17.7 -16.8 34 37 A T E -AC 21 102A 20 -13,-2.5 -13,-2.3 -2,-0.3 2,-0.5 -0.904 23.5-160.9-117.2 142.7 0.5 20.2 -14.1 35 38 A A E -AC 20 101A 0 66,-2.2 66,-2.8 -2,-0.4 2,-0.8 -0.988 11.8-160.9-117.8 115.1 1.6 19.6 -10.4 36 39 A A E -AC 19 100A 15 -17,-2.8 -17,-1.9 -2,-0.5 2,-0.5 -0.862 8.6-162.7 -98.5 105.5 0.9 22.7 -8.3 37 40 A L E -AC 18 99A 4 62,-2.6 62,-2.9 -2,-0.8 2,-0.8 -0.763 11.8-151.4 -92.5 125.7 3.1 22.4 -5.1 38 41 A T E -AC 17 98A 30 -21,-3.0 -22,-2.5 -2,-0.5 -21,-1.1 -0.887 28.5-169.9 -91.9 112.5 2.1 24.6 -2.1 39 42 A V E -AC 15 97A 4 58,-2.8 58,-1.9 -2,-0.8 2,-0.6 -0.879 17.3-157.4-117.4 128.8 5.5 25.1 -0.6 40 43 A Q E -AC 14 96A 33 -26,-2.7 -26,-2.0 -2,-0.4 56,-0.2 -0.881 18.8-133.1-105.8 122.5 6.4 26.6 2.8 41 44 A S E -A 13 0A 0 54,-2.6 53,-1.7 -2,-0.6 -28,-0.3 -0.344 13.4-167.3 -67.5 149.8 9.9 27.9 3.4 42 45 A Q + 0 0 25 -30,-3.2 2,-0.3 51,-0.2 -29,-0.2 0.277 66.4 55.4-115.1 7.7 11.7 26.9 6.6 43 46 A E S > S- 0 0 79 -31,-0.4 3,-0.6 49,-0.2 51,-0.1 -0.954 85.7 -95.0-138.7 157.2 14.5 29.5 6.3 44 47 A D T 3 S+ 0 0 127 -2,-0.3 48,-0.2 1,-0.2 47,-0.1 -0.385 101.2 2.6 -65.6 142.6 15.2 33.2 6.0 45 48 A N T 3 S- 0 0 79 1,-0.2 2,-0.4 46,-0.2 -1,-0.2 0.836 78.9-176.6 54.0 44.1 15.8 34.6 2.5 46 49 A L E < +H 91 0B 11 45,-2.1 45,-2.1 -3,-0.6 -1,-0.2 -0.638 11.3 170.4 -78.5 126.4 15.3 31.3 0.6 47 50 A R E + 0 0 153 -2,-0.4 40,-2.3 1,-0.3 2,-0.3 0.595 57.9 20.6-116.8 -15.4 15.9 31.9 -3.1 48 51 A S E -H 86 0B 46 38,-0.2 2,-0.3 40,-0.0 -1,-0.3 -0.995 57.6-160.2-148.6 152.4 15.9 28.5 -4.7 49 52 A L E -H 85 0B 3 36,-2.3 36,-3.1 -2,-0.3 2,-0.4 -0.976 12.2-136.7-133.1 156.8 14.6 25.0 -4.0 50 53 A V E -H 84 0B 30 -2,-0.3 -42,-2.5 34,-0.2 2,-0.3 -0.921 18.4-172.7-114.9 132.0 15.4 21.4 -5.3 51 54 A L E -H 83 0B 1 32,-2.6 32,-3.3 -2,-0.4 2,-0.3 -0.833 25.8-112.8-117.1 155.5 12.9 18.6 -6.2 52 55 A D E +HI 82 143B 0 91,-2.7 91,-1.6 -2,-0.3 2,-0.3 -0.667 41.1 161.7 -81.3 139.1 13.3 15.0 -7.2 53 56 A T E -H 81 0B 3 28,-0.5 28,-2.5 -2,-0.3 2,-0.3 -0.955 18.2-167.4-144.9 165.6 12.4 13.9 -10.7 54 57 A K S S- 0 0 14 84,-1.4 52,-0.3 -2,-0.3 3,-0.1 -0.904 75.6 -17.8-156.2 123.1 13.2 10.8 -12.9 55 58 A D S S+ 0 0 66 -2,-0.3 51,-0.7 1,-0.2 2,-0.4 0.816 93.9 147.7 44.4 38.3 12.7 10.6 -16.6 56 59 A L E -D 105 0A 14 49,-0.2 2,-0.7 25,-0.1 49,-0.2 -0.835 44.9-143.4 -98.7 137.0 10.3 13.6 -16.5 57 60 A T E -D 104 0A 86 47,-3.2 47,-1.7 -2,-0.4 2,-0.5 -0.901 17.5-157.0 -95.1 116.0 10.0 16.1 -19.3 58 61 A I E -D 103 0A 16 -2,-0.7 45,-0.2 45,-0.2 3,-0.1 -0.835 15.6-179.9 -91.3 127.0 9.5 19.5 -17.8 59 62 A E E - 0 0 139 43,-3.2 2,-0.3 -2,-0.5 -1,-0.2 0.869 62.8 -31.2 -88.3 -50.2 7.8 22.0 -20.1 60 63 A K E -D 102 0A 59 42,-0.8 42,-2.6 7,-0.0 2,-0.4 -0.975 46.3-132.6-161.3 168.2 7.8 25.1 -17.8 61 64 A V E -D 101 0A 1 7,-0.3 7,-2.0 -2,-0.3 2,-0.4 -0.995 22.9-165.0-133.0 125.0 7.5 26.3 -14.2 62 65 A V E +DE 100 67A 21 38,-2.7 38,-2.6 -2,-0.4 2,-0.4 -0.952 13.4 171.9-120.3 125.6 5.1 29.1 -13.2 63 66 A I E > S- E 0 66A 3 3,-1.6 3,-1.3 -2,-0.4 36,-0.1 -0.999 79.5 -5.2-127.5 134.4 5.1 31.2 -10.0 64 67 A N T 3 S- 0 0 112 34,-0.4 -1,-0.1 -2,-0.4 3,-0.1 0.833 131.7 -58.1 50.4 33.8 2.7 34.2 -9.7 65 68 A G T 3 S+ 0 0 58 1,-0.2 2,-0.3 35,-0.0 -1,-0.2 0.718 112.9 109.9 75.0 22.7 1.8 33.7 -13.3 66 69 A Q E < S-E 63 0A 139 -3,-1.3 -3,-1.6 0, 0.0 -1,-0.2 -0.992 72.5-114.5-128.8 140.4 5.3 34.0 -14.9 67 70 A E E -E 62 0A 156 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.414 45.4-159.9 -59.7 140.2 7.6 31.3 -16.5 68 71 A V - 0 0 18 -7,-2.0 -7,-0.3 -2,-0.0 2,-0.1 -0.935 19.3 -91.4-129.3 160.7 10.7 31.0 -14.2 69 72 A K + 0 0 163 -2,-0.3 17,-2.6 17,-0.2 2,-0.3 -0.397 53.1 147.7 -69.7 141.7 14.4 29.7 -14.4 70 73 A Y E -J 85 0B 80 15,-0.2 2,-0.3 -2,-0.1 15,-0.2 -0.957 23.1-158.5-162.1 162.7 15.1 26.1 -13.4 71 74 A A E -J 84 0B 55 13,-1.7 13,-2.6 -2,-0.3 2,-0.6 -0.998 17.1-129.7-152.3 150.8 17.5 23.4 -14.5 72 75 A L E -J 83 0B 82 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.892 27.9-145.5 -98.8 123.2 17.9 19.6 -14.4 73 76 A G - 0 0 40 9,-2.3 2,-0.2 -2,-0.6 3,-0.1 -0.032 41.5 -62.5 -68.5-176.4 21.2 18.3 -12.9 74 77 A E - 0 0 174 1,-0.1 -1,-0.2 7,-0.1 2,-0.0 -0.480 62.1 -99.9 -67.1 138.3 23.1 15.2 -14.1 75 78 A R - 0 0 109 -2,-0.2 6,-0.2 6,-0.2 2,-0.2 -0.359 28.7-156.3 -57.4 134.3 21.2 11.9 -13.7 76 79 A Q > - 0 0 97 4,-3.2 3,-1.9 1,-0.3 4,-0.1 -0.554 39.0-105.4-114.9 61.8 22.4 10.1 -10.6 77 80 A S G > S+ 0 0 82 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 -0.255 95.1 1.3 72.7-134.8 21.4 6.6 -11.5 78 81 A Y G 3 S+ 0 0 35 1,-0.2 -1,-0.3 -3,-0.1 291,-0.0 0.629 125.7 67.8 -67.7 -15.6 18.3 5.2 -9.6 79 82 A K G < S- 0 0 22 -3,-1.9 -26,-0.3 1,-0.3 -1,-0.2 0.630 95.5-146.6 -75.8 -12.8 17.9 8.5 -7.7 80 83 A G < - 0 0 0 -3,-1.4 -4,-3.2 -4,-0.1 -26,-0.3 -0.581 36.1 -43.6 81.2-145.1 16.9 10.3 -11.0 81 84 A S E -H 53 0B 18 -28,-2.5 -28,-0.5 -6,-0.2 -6,-0.2 -0.989 50.3-123.1-133.9 125.6 17.8 13.9 -11.6 82 85 A P E -H 52 0B 24 0, 0.0 -9,-2.3 0, 0.0 2,-0.6 -0.390 20.1-145.2 -69.0 135.9 17.5 16.9 -9.2 83 86 A M E -HJ 51 72B 0 -32,-3.3 -32,-2.6 -11,-0.2 2,-0.7 -0.915 9.1-159.2-104.3 115.3 15.4 19.8 -10.3 84 87 A E E -HJ 50 71B 101 -13,-2.6 -13,-1.7 -2,-0.6 2,-0.5 -0.842 7.8-166.2 -94.6 117.0 16.6 23.3 -9.2 85 88 A I E -HJ 49 70B 0 -36,-3.1 -36,-2.3 -2,-0.7 2,-0.7 -0.906 12.7-142.6-107.7 127.0 14.0 26.0 -9.2 86 89 A S E -H 48 0B 51 -17,-2.6 -38,-0.2 -2,-0.5 -17,-0.2 -0.796 19.0-136.1 -87.4 109.8 14.9 29.7 -9.0 87 90 A L E - 0 0 17 -40,-2.3 3,-0.1 -2,-0.7 -18,-0.0 -0.343 2.8-142.3 -67.0 136.3 12.4 31.6 -6.9 88 91 A P E S+ 0 0 68 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.744 88.6 26.3 -72.8 -16.1 11.4 35.0 -8.4 89 92 A I E S- 0 0 110 -43,-0.1 2,-0.1 -42,-0.1 -43,-0.0 -0.992 90.8-110.2-146.7 133.4 11.2 36.6 -4.9 90 93 A A E - 0 0 27 -2,-0.3 2,-0.3 -3,-0.1 -43,-0.2 -0.356 35.5-139.7 -67.0 144.4 13.1 35.6 -1.7 91 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0.761 107.9 64.4-108.9 -29.9 5.3 -15.4 -16.0 557 560 A E H < S+ 0 0 112 -4,-2.5 2,-0.3 -5,-0.2 -3,-0.1 0.563 119.5 21.8 -71.9 -8.6 1.4 -15.7 -15.7 558 561 A Q < - 0 0 18 -4,-0.6 -297,-0.2 -5,-0.2 -282,-0.0 -0.938 66.1-158.0-146.1 166.0 1.8 -13.5 -12.6 559 562 A G + 0 0 11 -299,-3.0 2,-0.6 -2,-0.3 -298,-0.1 0.168 32.8 146.2-139.7 20.6 4.5 -11.2 -11.4 560 563 A R >> - 0 0 11 -300,-0.4 3,-2.2 1,-0.2 4,-2.1 -0.517 50.0-136.6 -59.7 111.0 4.2 -10.8 -7.7 561 564 A M H 3> S+ 0 0 14 -298,-1.6 4,-1.7 -2,-0.6 -1,-0.2 0.757 98.0 67.8 -43.4 -40.0 8.0 -10.5 -6.9 562 565 A K H 34 S+ 0 0 86 -299,-0.4 -1,-0.3 1,-0.2 -298,-0.1 0.854 118.2 23.3 -46.6 -41.8 7.9 -12.8 -3.9 563 566 A F H <> S+ 0 0 0 -3,-2.2 4,-2.0 2,-0.1 -2,-0.2 0.841 121.1 54.1 -93.9 -46.4 7.1 -15.7 -6.3 564 567 A T H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.921 106.5 50.4 -66.5 -43.5 8.5 -14.5 -9.7 565 568 A R H X S+ 0 0 54 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.938 113.8 40.5 -62.0 -50.4 12.1 -13.8 -8.6 566 569 A P H > S+ 0 0 29 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.854 113.1 56.9 -73.8 -24.9 12.9 -17.0 -6.7 567 570 A L H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.954 112.1 41.0 -62.8 -49.1 11.2 -19.1 -9.4 568 571 A F H X S+ 0 0 3 -4,-2.2 4,-1.9 -5,-0.2 5,-0.2 0.949 115.7 51.2 -61.9 -49.0 13.4 -17.6 -12.1 569 572 A K H X S+ 0 0 106 -4,-2.8 4,-1.7 -5,-0.2 3,-0.4 0.951 112.3 45.8 -53.5 -55.0 16.5 -17.8 -9.9 570 573 A D H >X S+ 0 0 17 -4,-2.8 4,-1.4 1,-0.2 3,-0.5 0.929 111.2 51.9 -50.7 -56.1 15.8 -21.5 -9.1 571 574 A L H 3< S+ 0 0 1 -4,-2.4 6,-0.3 1,-0.3 -1,-0.2 0.812 109.3 51.6 -48.6 -37.2 15.1 -22.4 -12.7 572 575 A A H 3< S+ 0 0 20 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.839 106.4 52.5 -74.6 -31.5 18.4 -20.7 -13.7 573 576 A A H << S+ 0 0 83 -4,-1.7 2,-0.6 -3,-0.5 -2,-0.2 0.707 92.8 84.3 -77.2 -19.3 20.4 -22.7 -11.1 574 577 A F S >X S- 0 0 8 -4,-1.4 4,-1.6 -5,-0.2 3,-1.4 -0.762 78.2-145.7 -81.5 115.9 18.9 -26.0 -12.5 575 578 A D H 3> S+ 0 0 116 -2,-0.6 4,-0.5 1,-0.3 -1,-0.1 0.844 94.0 55.2 -54.6 -37.0 21.2 -26.9 -15.4 576 579 A K H 34 S+ 0 0 117 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.717 117.8 32.6 -68.5 -25.5 18.3 -28.4 -17.5 577 580 A S H <> S+ 0 0 0 -3,-1.4 4,-2.6 -6,-0.3 5,-0.2 0.488 89.7 100.4-112.4 -6.3 16.2 -25.3 -17.3 578 581 A H H X S+ 0 0 77 -4,-1.6 4,-2.1 1,-0.2 5,-0.2 0.906 85.6 44.1 -46.3 -56.3 18.9 -22.6 -17.3 579 582 A D H X S+ 0 0 96 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.915 113.8 49.3 -59.9 -41.9 18.6 -21.7 -20.9 580 583 A Q H > S+ 0 0 83 2,-0.2 4,-2.6 -4,-0.2 -1,-0.2 0.846 109.4 53.6 -68.3 -32.9 14.8 -21.7 -21.0 581 584 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 -10,-0.2 -1,-0.2 0.964 112.4 42.9 -64.2 -51.0 14.7 -19.4 -17.9 582 585 A V H X S+ 0 0 24 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.825 116.6 48.5 -61.6 -36.0 17.0 -16.9 -19.5 583 586 A R H X S+ 0 0 121 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.901 110.4 49.8 -72.2 -43.4 15.2 -17.1 -22.8 584 587 A T H X S+ 0 0 23 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.868 109.8 51.5 -65.6 -40.4 11.7 -16.7 -21.2 585 588 A Y H >X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 3,-0.5 0.964 111.0 48.2 -58.1 -51.7 12.9 -13.7 -19.3 586 589 A Q H 3< S+ 0 0 103 -4,-1.7 4,-0.4 1,-0.2 -2,-0.2 0.897 111.9 49.5 -60.7 -41.2 14.2 -12.1 -22.5 587 590 A E H 3< S+ 0 0 146 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.794 121.9 33.7 -63.1 -29.7 10.9 -12.9 -24.4 588 591 A H H X< S+ 0 0 66 -4,-1.7 3,-1.1 -3,-0.5 -2,-0.2 0.629 91.1 95.2-101.8 -17.5 8.8 -11.4 -21.5 589 592 A K G >< S+ 0 0 67 -4,-2.6 3,-1.5 1,-0.3 -1,-0.1 0.806 79.7 54.9 -45.1 -45.2 11.0 -8.5 -20.3 590 593 A A G 3 S+ 0 0 101 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.847 112.9 41.9 -66.8 -33.2 9.5 -5.7 -22.5 591 594 A S G < S+ 0 0 56 -3,-1.1 -1,-0.3 -4,-0.1 -2,-0.2 0.140 97.0 104.7 -99.3 15.6 5.9 -6.3 -21.2 592 595 A M S < S- 0 0 33 -3,-1.5 -331,-0.0 -4,-0.2 -36,-0.0 -0.541 88.9 -85.1 -91.4 162.3 7.0 -6.8 -17.5 593 596 A H > - 0 0 6 -2,-0.2 4,-2.7 -332,-0.1 5,-0.2 -0.494 45.7-127.1 -61.3 132.0 6.6 -4.4 -14.6 594 597 A P H > S+ 0 0 42 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.803 105.9 47.3 -63.3 -30.1 9.8 -2.3 -15.0 595 598 A V H > S+ 0 0 8 -485,-0.2 4,-2.5 2,-0.2 5,-0.2 0.928 114.1 47.1 -72.5 -46.5 11.0 -2.8 -11.4 596 599 A T H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.907 111.2 54.6 -55.6 -39.2 10.3 -6.6 -11.6 597 600 A A H X S+ 0 0 12 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.929 109.2 46.2 -63.1 -44.6 12.1 -6.5 -14.9 598 601 A M H X S+ 0 0 60 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.920 114.1 46.1 -69.9 -42.6 15.2 -4.9 -13.5 599 602 A L H X S+ 0 0 3 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.887 112.9 49.0 -71.8 -36.0 15.5 -7.2 -10.5 600 603 A V H X S+ 0 0 1 -4,-2.6 4,-2.3 -5,-0.2 5,-0.2 0.971 109.9 53.6 -68.2 -49.3 14.9 -10.4 -12.4 601 604 A G H X>S+ 0 0 3 -4,-2.6 5,-2.5 -5,-0.3 4,-0.7 0.918 111.6 45.4 -38.7 -55.6 17.6 -9.2 -14.9 602 605 A K H ><5S+ 0 0 122 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.966 112.3 50.5 -58.3 -53.0 20.0 -8.7 -12.1 603 606 A D H 3<5S+ 0 0 35 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.790 114.6 44.2 -52.7 -35.8 19.2 -12.0 -10.5 604 607 A L H 3<5S- 0 0 13 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.485 110.0-121.9 -91.2 -3.6 19.7 -13.8 -13.8 605 608 A K T <<5 + 0 0 191 -3,-1.5 2,-0.3 -4,-0.7 -3,-0.2 0.907 61.0 153.6 60.4 47.7 22.9 -11.9 -14.6 606 609 A V < 0 0 23 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.856 360.0 360.0-121.0 148.2 21.3 -10.7 -17.8 607 610 A D 0 0 180 -2,-0.3 -5,-0.0 -5,-0.0 -6,-0.0 -0.581 360.0 360.0 64.5 360.0 21.8 -7.6 -20.1