==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-JUL-13 4BZ9 . COMPND 2 MOLECULE: HISTONE DEACETYLASE 8; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHISTOSOMA MANSONI; . AUTHOR M.MAREK,C.ROMIER . 1621 23 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64202.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1090 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 169 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 94 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 171 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 542 33.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 1.4 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 0 2 4 4 6 4 6 6 0 1 2 1 0 1 1 6 8 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 0 7 9 8 4 0 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 . 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 4 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 2 A S 0 0 41 0, 0.0 128,-1.9 0, 0.0 129,-1.0 0.000 360.0 360.0 360.0 95.3 72.6 18.1 92.1 2 3 A V E -ab 40 130A 0 37,-0.5 39,-2.8 126,-0.2 2,-0.3 -0.856 360.0-149.1 -97.4 128.7 69.6 20.4 92.0 3 4 A G E -ab 41 131A 0 127,-3.3 129,-2.5 -2,-0.5 2,-0.4 -0.667 11.0-168.4 -97.9 149.3 69.6 23.1 89.3 4 5 A I E -ab 42 132A 0 37,-2.5 39,-2.9 -2,-0.3 2,-0.4 -0.981 21.4-127.9-140.4 129.0 68.1 26.5 89.5 5 6 A V E +a 43 0A 0 127,-2.7 129,-0.3 -2,-0.4 2,-0.3 -0.639 50.4 132.4 -78.4 123.8 67.6 29.0 86.6 6 7 A Y + 0 0 60 37,-1.3 2,-0.2 -2,-0.4 3,-0.1 -0.977 15.7 149.6-165.9 162.9 69.0 32.4 87.4 7 8 A G > - 0 0 12 -2,-0.3 4,-2.7 37,-0.1 5,-0.1 -0.838 52.3-100.9 172.7 156.0 71.2 35.3 86.2 8 9 A D H > S+ 0 0 131 -2,-0.2 4,-2.0 2,-0.2 5,-0.1 0.932 123.3 39.5 -59.9 -48.1 71.4 39.1 86.5 9 10 A Q H > S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.896 114.7 54.8 -67.5 -39.6 69.8 39.8 83.1 10 11 A Y H > S+ 0 0 8 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.918 107.2 50.0 -60.5 -45.5 67.3 37.0 83.6 11 12 A R H X S+ 0 0 70 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.942 110.7 49.3 -57.8 -52.2 66.2 38.5 87.0 12 13 A Q H < S+ 0 0 122 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.870 114.0 46.7 -56.2 -42.0 65.7 42.0 85.3 13 14 A L H >< S+ 0 0 31 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.933 110.6 49.7 -68.1 -46.1 63.6 40.5 82.5 14 15 A C H 3< S+ 0 0 11 -4,-2.7 3,-0.3 1,-0.3 10,-0.3 0.691 113.6 49.7 -62.4 -23.9 61.4 38.3 84.8 15 16 A C T 3< S+ 0 0 35 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.183 90.4 84.8 -98.8 11.3 60.8 41.5 86.9 16 17 A S < + 0 0 38 -3,-1.7 88,-0.3 -5,-0.1 -1,-0.2 0.328 64.8 98.1 -99.1 6.0 59.9 43.7 83.9 17 18 A S > - 0 0 6 4,-0.4 4,-1.2 -3,-0.3 85,-0.0 -0.698 69.2-135.6 -95.7 150.7 56.2 42.9 83.5 18 19 A P T 4 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 84,-0.0 0.786 104.4 45.9 -71.2 -23.8 53.3 45.1 84.9 19 20 A K T 4 S+ 0 0 77 1,-0.1 130,-0.0 2,-0.1 -3,-0.0 0.886 122.3 29.1 -84.2 -49.7 51.5 42.0 86.2 20 21 A F T >4 S+ 0 0 10 1,-0.2 3,-2.4 -6,-0.1 4,-0.2 0.520 83.8 172.1 -93.8 -1.6 54.2 40.0 88.0 21 22 A G T 3< - 0 0 23 -4,-1.2 -4,-0.4 1,-0.3 3,-0.3 0.019 69.0 -16.7 33.9-124.8 56.3 43.0 88.9 22 23 A D T >> S+ 0 0 40 1,-0.2 4,-2.0 2,-0.1 3,-0.6 0.201 97.6 118.7 -92.8 12.8 59.2 42.1 91.2 23 24 A R H <> S+ 0 0 6 -3,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.878 74.8 51.5 -44.5 -51.5 57.8 38.6 92.2 24 25 A Y H 3> S+ 0 0 10 -3,-0.3 4,-2.7 -10,-0.3 -1,-0.2 0.847 108.9 51.6 -56.7 -42.4 60.8 36.7 90.8 25 26 A A H <> S+ 0 0 2 -3,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.906 110.8 47.7 -61.1 -45.2 63.3 38.9 92.7 26 27 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.927 113.2 49.6 -60.6 -44.7 61.4 38.3 96.0 27 28 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.953 116.6 39.7 -59.1 -54.7 61.4 34.5 95.2 28 29 A M H X S+ 0 0 9 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.820 115.6 51.1 -67.7 -34.7 65.2 34.4 94.5 29 30 A D H X S+ 0 0 25 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.798 109.5 50.8 -74.0 -27.9 66.1 36.8 97.3 30 31 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.947 110.9 48.4 -72.9 -42.3 64.1 34.7 99.8 31 32 A I H <>S+ 0 0 0 -4,-2.0 5,-2.1 1,-0.2 6,-0.4 0.898 115.1 46.5 -57.9 -42.5 65.9 31.5 98.6 32 33 A N H ><5S+ 0 0 91 -4,-1.9 3,-1.8 1,-0.2 -1,-0.2 0.906 108.7 54.1 -69.0 -40.2 69.2 33.4 98.9 33 34 A A H 3<5S+ 0 0 16 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.831 105.6 54.6 -62.2 -33.1 68.3 34.7 102.4 34 35 A Y T 3<5S- 0 0 23 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.282 116.6-118.4 -84.0 11.3 67.6 31.1 103.5 35 36 A K T < 5S+ 0 0 168 -3,-1.8 -3,-0.2 -5,-0.1 4,-0.1 0.756 76.6 129.2 57.8 33.0 71.3 30.2 102.3 36 37 A L > < + 0 0 3 -5,-2.1 3,-1.3 1,-0.1 4,-0.5 0.685 48.2 80.1 -85.0 -25.4 69.9 27.7 99.7 37 38 A I G > S+ 0 0 28 -6,-0.4 3,-1.8 1,-0.2 -1,-0.1 0.898 87.0 55.8 -55.0 -45.1 71.9 29.2 96.7 38 39 A P G 3 S+ 0 0 90 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.686 105.5 54.8 -60.3 -18.6 75.3 27.4 97.7 39 40 A E G < S+ 0 0 34 -3,-1.3 -37,-0.5 -4,-0.1 2,-0.3 0.552 101.5 75.1 -86.5 -14.4 73.3 24.0 97.6 40 41 A L E < S-a 2 0A 9 -3,-1.8 2,-0.5 -4,-0.5 -37,-0.2 -0.803 76.9-129.6-108.5 145.2 72.1 24.6 94.0 41 42 A S E -a 3 0A 1 -39,-2.8 -37,-2.5 -2,-0.3 2,-0.3 -0.794 32.4-126.1 -87.4 118.9 73.7 24.5 90.6 42 43 A R E -a 4 0A 31 -2,-0.5 -37,-0.2 447,-0.2 453,-0.1 -0.572 19.7-154.8 -70.3 128.3 73.0 27.8 88.7 43 44 A V E -a 5 0A 1 -39,-2.9 -37,-1.3 -2,-0.3 76,-0.1 -0.918 12.6-140.1-101.9 112.2 71.5 26.9 85.3 44 45 A P - 0 0 34 0, 0.0 -37,-0.1 0, 0.0 3,-0.1 -0.559 24.1-107.1 -74.1 138.7 72.2 29.8 82.9 45 46 A P - 0 0 24 0, 0.0 70,-0.2 0, 0.0 2,-0.1 -0.311 43.1 -99.3 -59.7 146.6 69.3 30.7 80.5 46 47 A L - 0 0 44 68,-2.3 2,-0.3 65,-0.1 72,-0.1 -0.451 38.2-167.9 -70.6 137.5 69.9 29.6 76.9 47 48 A Q - 0 0 62 -2,-0.1 2,-0.2 -3,-0.1 559,-0.2 -0.922 15.3-128.7-124.8 148.0 71.1 32.3 74.4 48 49 A W B -h 606 0B 17 557,-3.2 559,-1.3 -2,-0.3 4,-0.0 -0.680 11.3-130.8-105.5 158.8 71.2 31.8 70.7 49 50 A D S S- 0 0 88 -2,-0.2 557,-0.1 1,-0.2 3,-0.1 0.555 89.6 -5.4 -75.7 -17.1 73.8 32.2 67.9 50 51 A S S > S- 0 0 11 1,-0.1 4,-2.0 555,-0.1 5,-0.2 -0.973 72.7 -98.7-168.0 162.1 71.5 34.2 65.7 51 52 A P H > S+ 0 0 9 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.898 122.5 56.2 -56.1 -37.5 67.9 35.6 65.3 52 53 A S H > S+ 0 0 81 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.883 106.7 47.9 -60.6 -43.5 67.3 32.6 62.9 53 54 A R H > S+ 0 0 133 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.868 111.6 50.3 -65.6 -39.1 68.3 30.1 65.6 54 55 A M H X S+ 0 0 3 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.942 111.4 48.9 -64.2 -45.4 66.0 31.8 68.2 55 56 A Y H X S+ 0 0 32 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.916 109.0 52.8 -59.9 -42.5 63.1 31.7 65.6 56 57 A E H < S+ 0 0 121 -4,-2.3 -1,-0.2 1,-0.2 4,-0.2 0.882 112.1 46.6 -60.3 -39.9 63.8 27.9 65.0 57 58 A A H >< S+ 0 0 15 -4,-2.0 3,-1.1 2,-0.2 4,-0.2 0.948 117.0 40.5 -68.8 -48.6 63.6 27.3 68.8 58 59 A V H >X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 3,-1.4 0.878 111.4 57.9 -71.8 -34.5 60.4 29.3 69.5 59 60 A T T 3< S+ 0 0 46 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.402 76.5 89.3 -78.4 3.4 58.7 28.1 66.2 60 61 A A T <4 S+ 0 0 52 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.1 0.777 120.1 2.0 -64.8 -23.6 59.0 24.4 67.3 61 62 A F T <4 S+ 0 0 27 -3,-1.4 -2,-0.2 -4,-0.2 -3,-0.1 0.665 125.4 64.5-123.8 -58.2 55.6 25.3 68.9 62 63 A H S < S- 0 0 1 -4,-2.1 82,-0.2 1,-0.1 -1,-0.1 -0.397 83.7-109.3 -74.4 152.1 54.5 29.0 68.1 63 64 A S > - 0 0 1 80,-1.8 4,-2.1 1,-0.1 5,-0.2 -0.463 21.9-121.3 -77.7 156.0 53.8 30.2 64.5 64 65 A T H > S+ 0 0 70 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.919 114.2 55.1 -58.6 -45.1 56.3 32.6 62.8 65 66 A E H > S+ 0 0 101 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.875 108.1 49.3 -56.9 -39.4 53.4 35.1 62.4 66 67 A Y H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.947 111.8 46.3 -66.7 -46.8 52.7 35.0 66.1 67 68 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.897 112.8 51.6 -59.9 -43.4 56.4 35.5 67.1 68 69 A D H X S+ 0 0 76 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.934 110.6 48.9 -58.8 -47.2 56.6 38.4 64.5 69 70 A A H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.913 112.1 47.6 -59.2 -46.3 53.5 40.0 66.1 70 71 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 36,-0.2 0.913 113.4 47.2 -63.8 -41.9 54.9 39.7 69.7 71 72 A K H X S+ 0 0 75 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.920 113.9 48.1 -66.6 -41.6 58.3 41.1 68.6 72 73 A K H X S+ 0 0 71 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.894 107.0 57.8 -64.6 -39.0 56.5 44.0 66.7 73 74 A L H X S+ 0 0 3 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.908 108.1 45.9 -56.6 -45.5 54.3 44.6 69.9 74 75 A Q H < S+ 0 0 23 -4,-1.8 4,-0.4 2,-0.2 3,-0.2 0.954 112.4 50.3 -61.4 -51.5 57.5 45.2 72.0 75 76 A M H >< S+ 0 0 109 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.901 111.9 48.7 -51.1 -48.3 58.9 47.5 69.3 76 77 A L H >< S+ 0 0 24 -4,-2.9 3,-1.0 1,-0.3 -1,-0.2 0.812 107.8 53.5 -64.4 -35.9 55.6 49.5 69.2 77 78 A H T 3< S+ 0 0 58 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.439 99.1 66.5 -80.6 1.8 55.5 49.8 73.0 78 79 A C T < 0 0 48 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.154 360.0 360.0-104.7 14.2 59.1 51.3 72.8 79 80 A E < 0 0 178 -3,-1.0 0, 0.0 0, 0.0 0, 0.0 -0.904 360.0 360.0-139.1 360.0 57.9 54.4 71.0 80 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 81 83 A E 0 0 192 0, 0.0 2,-0.1 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 172.6 50.0 54.9 70.0 82 84 A L - 0 0 23 1,-0.1 2,-0.1 2,-0.1 -5,-0.0 -0.354 360.0-118.3 -65.3 144.6 49.2 51.8 67.7 83 85 A T > - 0 0 77 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.388 28.6-106.4 -75.7 162.7 47.6 52.4 64.3 84 86 A A H > S+ 0 0 85 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.918 123.7 50.9 -57.3 -43.2 44.1 50.8 63.6 85 87 A D H > S+ 0 0 130 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.887 111.0 47.2 -64.4 -37.1 45.9 48.2 61.4 86 88 A D H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.895 109.5 53.1 -72.6 -34.1 48.4 47.3 64.1 87 89 A E H X S+ 0 0 72 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.903 109.9 49.4 -63.0 -41.4 45.6 47.0 66.7 88 90 A L H X S+ 0 0 118 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.881 109.1 52.2 -62.1 -44.9 43.8 44.6 64.4 89 91 A L H X S+ 0 0 60 -4,-1.9 4,-0.5 2,-0.2 -2,-0.2 0.947 111.4 45.8 -58.1 -48.2 47.0 42.6 63.9 90 92 A M H ><>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 3,-1.7 0.927 110.0 54.3 -62.0 -43.3 47.5 42.3 67.7 91 93 A D H ><5S+ 0 0 67 -4,-2.5 3,-1.9 1,-0.3 -1,-0.2 0.849 98.0 63.9 -57.8 -35.4 43.8 41.3 68.3 92 94 A S H 3<5S+ 0 0 78 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.723 112.6 35.9 -64.7 -17.3 44.2 38.5 65.7 93 95 A F T <<5S- 0 0 20 -3,-1.7 53,-2.1 -4,-0.5 -1,-0.3 0.079 115.7-112.5-114.7 13.9 46.7 36.9 68.2 94 96 A S T < 5 + 0 0 33 -3,-1.9 2,-1.8 1,-0.2 5,-0.3 0.785 64.2 152.5 53.0 31.2 44.9 38.0 71.4 95 97 A L < + 0 0 5 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.624 52.1 67.8 -86.2 72.1 47.8 40.4 72.2 96 98 A N S > S+ 0 0 31 -2,-1.8 3,-2.8 4,-0.2 2,-0.3 -0.946 85.2 20.7-170.1 177.8 45.4 42.6 74.1 97 99 A Y T 3 S+ 0 0 202 1,-0.3 -2,-0.0 -2,-0.3 -3,-0.0 -0.301 133.1 16.4 50.8-104.6 43.2 42.8 77.3 98 100 A D T 3 S+ 0 0 107 -2,-0.3 -1,-0.3 1,-0.3 49,-0.1 0.704 136.6 45.2 -67.0 -26.7 44.7 40.1 79.7 99 101 A C S < S+ 0 0 3 -3,-2.8 -1,-0.3 -5,-0.3 -2,-0.1 -0.607 82.9 171.1-118.3 69.5 47.9 40.0 77.5 100 102 A P - 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0 0 30 -5,-2.3 2,-0.6 -6,-0.1 -1,-0.2 -0.769 38.9-125.0 -95.4 137.8 52.0 -0.9 78.2 391 425 A I + 0 0 170 -2,-0.3 2,-0.3 -135,-0.1 -5,-0.0 -0.769 46.6 153.4 -85.4 118.9 52.5 -3.7 80.7 392 426 A Y - 0 0 62 -2,-0.6 2,-0.7 -10,-0.0 -136,-0.1 -0.966 45.8-122.0-144.7 156.9 50.9 -2.9 84.0 393 427 A D > - 0 0 90 -2,-0.3 4,-1.4 1,-0.1 3,-0.2 -0.923 17.0-160.8-105.6 109.3 49.3 -4.6 87.1 394 428 A Y H > S+ 0 0 93 -2,-0.7 4,-3.1 1,-0.2 -1,-0.1 0.851 91.0 51.4 -54.9 -42.4 45.7 -3.5 87.5 395 429 A D H > S+ 0 0 94 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.830 106.3 53.2 -67.3 -36.0 45.5 -4.6 91.2 396 430 A Q H 4 S+ 0 0 99 -3,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.834 118.0 39.2 -64.6 -35.0 48.8 -2.7 92.1 397 431 A V H >X S+ 0 0 3 -4,-1.4 3,-1.1 2,-0.2 4,-0.6 0.888 113.0 54.1 -81.3 -44.9 47.1 0.4 90.6 398 432 A Y H >< S+ 0 0 136 -4,-3.1 3,-1.0 1,-0.2 -2,-0.2 0.885 103.8 57.2 -55.9 -47.1 43.5 -0.3 92.0 399 433 A Q T 3< S+ 0 0 139 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.619 91.7 69.5 -63.6 -18.6 44.8 -0.5 95.6 400 434 A L T <4 0 0 59 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.2 0.851 360.0 360.0 -67.6 -35.3 46.4 3.0 95.5 401 435 A Y << 0 0 78 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.619 360.0 360.0 -85.0 360.0 42.8 4.5 95.5 402 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 403 2 B S 0 0 51 0, 0.0 127,-2.1 0, 0.0 128,-1.2 0.000 360.0 360.0 360.0 129.8 108.0 48.9 65.2 404 3 B V E -n 531 0H 1 37,-0.4 39,-3.0 125,-0.2 2,-0.2 -0.930 360.0-155.3-101.6 119.4 104.8 46.8 64.6 405 4 B G E -no 532 443H 0 126,-3.5 128,-2.4 -2,-0.6 2,-0.4 -0.610 13.3-170.0 -93.5 155.8 104.8 44.1 67.3 406 5 B I E -no 533 444H 3 37,-2.2 39,-3.2 -2,-0.2 2,-0.5 -0.974 23.9-125.6-145.3 128.1 103.1 40.7 67.2 407 6 B V E + o 0 445H 0 126,-2.6 2,-0.3 -2,-0.4 128,-0.3 -0.642 50.3 136.9 -75.7 120.2 102.7 38.3 70.1 408 7 B Y + 0 0 32 37,-1.0 2,-0.3 -2,-0.5 3,-0.1 -0.982 14.3 151.4-158.8 159.4 104.1 34.9 69.3 409 8 B G > - 0 0 13 -2,-0.3 4,-2.2 37,-0.1 5,-0.1 -0.889 50.5-106.6-177.8 160.6 106.2 32.0 70.8 410 9 B D H > S+ 0 0 128 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.955 121.2 40.2 -64.1 -50.6 106.5 28.2 70.5 411 10 B Q H > S+ 0 0 122 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.916 114.3 55.2 -64.7 -40.8 104.8 27.5 73.8 412 11 B Y H > S+ 0 0 7 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.900 107.1 48.9 -58.6 -47.5 102.3 30.3 73.3 413 12 B R H X S+ 0 0 56 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.937 111.0 50.7 -60.5 -45.7 101.2 28.8 69.9 414 13 B Q H < S+ 0 0 144 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.925 115.3 43.2 -59.1 -44.8 100.8 25.3 71.6 415 14 B L H >< S+ 0 0 26 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.902 110.8 52.3 -69.6 -41.9 98.6 26.8 74.4 416 15 B C H 3< S+ 0 0 12 -4,-3.0 3,-0.3 1,-0.3 10,-0.3 0.727 113.7 48.5 -64.1 -22.4 96.5 29.1 72.1 417 16 B C T 3< S+ 0 0 34 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.215 90.7 83.7 -98.6 9.7 95.8 25.9 70.1 418 17 B S < + 0 0 41 -3,-1.7 87,-0.3 87,-0.1 -1,-0.2 0.381 65.1 100.6 -98.0 2.6 94.9 23.6 73.1 419 18 B S > - 0 0 5 4,-0.4 4,-1.1 -3,-0.3 84,-0.0 -0.639 67.9-137.0 -88.7 152.0 91.2 24.5 73.5 420 19 B P T 4 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 83,-0.0 0.804 102.9 46.4 -72.7 -28.5 88.3 22.4 72.2 421 20 B K T 4 S+ 0 0 63 1,-0.1 129,-0.0 2,-0.1 0, 0.0 0.908 122.5 29.5 -78.9 -49.1 86.3 25.4 70.9 422 21 B F T >4 S+ 0 0 11 1,-0.2 3,-2.4 -6,-0.1 4,-0.2 0.499 83.7 176.1 -93.5 -3.9 89.1 27.3 69.0 423 22 B G T 3< - 0 0 24 -4,-1.1 -4,-0.4 1,-0.3 3,-0.4 0.003 68.3 -19.9 38.6-127.7 91.2 24.3 68.0 424 23 B D T 3> S+ 0 0 42 1,-0.2 4,-1.9 2,-0.1 3,-0.5 0.061 96.6 120.3 -95.0 19.2 94.2 25.3 65.8 425 24 B R H <> S+ 0 0 7 -3,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.882 74.2 53.2 -51.8 -45.3 92.8 28.7 64.6 426 25 B Y H > S+ 0 0 8 -3,-0.4 4,-2.8 -10,-0.3 -1,-0.2 0.862 108.4 51.5 -59.0 -40.2 95.8 30.7 66.1 427 26 B A H > S+ 0 0 1 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.889 109.9 47.9 -65.0 -45.0 98.2 28.3 64.2 428 27 B L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.924 114.4 48.5 -61.0 -42.4 96.3 28.9 60.9 429 28 B V H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.953 116.6 39.8 -58.2 -58.7 96.4 32.7 61.6 430 29 B M H X S+ 0 0 3 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.878 116.5 50.9 -63.4 -39.3 100.1 32.9 62.5 431 30 B D H X S+ 0 0 23 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.818 110.1 49.5 -70.1 -32.9 101.1 30.4 59.7 432 31 B L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.892 111.6 48.3 -70.6 -41.6 99.2 32.4 57.0 433 32 B I H <>S+ 0 0 0 -4,-2.1 5,-2.1 -5,-0.2 6,-0.4 0.930 115.4 47.0 -61.3 -40.3 100.8 35.7 58.2 434 33 B N H ><5S+ 0 0 84 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.907 108.9 53.2 -67.0 -43.0 104.1 33.7 58.0 435 34 B A H 3<5S+ 0 0 14 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.827 104.6 55.5 -63.6 -31.0 103.3 32.2 54.5 436 35 B Y T 3<5S- 0 0 25 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.290 117.9-117.1 -84.8 10.3 102.7 35.7 53.2 437 36 B K T < 5S+ 0 0 163 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.794 77.6 128.8 60.0 36.3 106.3 36.6 54.4 438 37 B L >>< + 0 0 4 -5,-2.1 3,-1.4 -6,-0.1 4,-0.5 0.705 48.9 79.9 -88.9 -26.7 104.9 39.2 56.9 439 38 B I G >4 S+ 0 0 50 -6,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.874 87.0 54.9 -51.9 -46.3 106.8 37.8 60.0 440 39 B P G 34 S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.682 104.4 57.8 -66.2 -12.8 110.3 39.5 59.2 441 40 B E G <4 S+ 0 0 41 -3,-1.4 -37,-0.4 -4,-0.1 2,-0.3 0.657 101.2 73.4 -82.1 -19.5 108.4 42.9 59.0 442 41 B L S << S- 0 0 19 -3,-1.6 2,-0.5 -4,-0.5 -37,-0.2 -0.742 77.9-129.4-103.5 149.6 107.2 42.4 62.6 443 42 B S E -o 405 0H 30 -39,-3.0 -37,-2.2 -2,-0.3 2,-0.3 -0.829 32.9-124.5 -93.8 122.3 108.9 42.6 66.0 444 43 B R E -o 406 0H 142 -2,-0.5 -37,-0.2 -39,-0.2 -39,-0.1 -0.527 19.4-154.8 -68.2 127.8 108.1 39.4 68.0 445 44 B V E -o 407 0H 9 -39,-3.2 -37,-1.0 -2,-0.3 75,-0.1 -0.912 14.5-140.8-103.7 109.0 106.5 40.4 71.3 446 45 B P - 0 0 88 0, 0.0 -37,-0.1 0, 0.0 3,-0.1 -0.504 24.7-103.3 -71.4 138.4 107.2 37.5 73.8 447 46 B P - 0 0 24 0, 0.0 69,-0.3 0, 0.0 2,-0.2 -0.187 43.9 -99.5 -55.6 147.8 104.4 36.6 76.2 448 47 B L - 0 0 40 67,-2.5 2,-0.3 64,-0.2 71,-0.1 -0.531 40.4-171.2 -72.7 136.0 104.9 37.8 79.8 449 48 B Q - 0 0 135 -2,-0.2 2,-0.2 -3,-0.1 0, 0.0 -0.919 14.4-131.8-124.5 150.9 106.2 35.3 82.3 450 49 B W - 0 0 44 -2,-0.3 4,-0.0 1,-0.1 6,-0.0 -0.659 14.0-128.8-106.6 162.0 106.5 35.9 86.1 451 50 B D S S+ 0 0 141 -2,-0.2 -1,-0.1 1,-0.2 3,-0.1 0.546 92.7 2.2 -78.1 -16.2 109.2 35.4 88.7 452 51 B S S > S- 0 0 46 1,-0.1 4,-1.9 0, 0.0 3,-0.2 -0.972 73.2-105.3-164.5 160.6 106.8 33.4 90.9 453 52 B P H > S+ 0 0 103 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.802 120.5 56.4 -61.3 -32.6 103.2 32.0 91.2 454 53 B S H > S+ 0 0 79 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.876 106.9 49.2 -67.9 -35.3 102.3 34.9 93.7 455 54 B R H > S+ 0 0 102 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.888 112.7 47.4 -67.3 -37.8 103.4 37.4 91.0 456 55 B M H X S+ 0 0 22 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.951 113.8 47.6 -64.7 -48.2 101.2 35.7 88.4 457 56 B Y H X S+ 0 0 52 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.891 110.1 51.9 -60.4 -45.0 98.3 35.6 90.9 458 57 B E H < S+ 0 0 130 -4,-2.5 -1,-0.2 1,-0.2 4,-0.2 0.921 110.7 49.7 -56.6 -45.0 98.8 39.3 91.8 459 58 B A H >< S+ 0 0 19 -4,-2.1 3,-1.0 1,-0.2 4,-0.2 0.903 114.3 41.9 -62.4 -47.0 98.7 40.2 88.0 460 59 B V H >X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 3,-1.4 0.869 110.3 59.3 -70.9 -32.6 95.5 38.2 87.2 461 60 B T T 3< S+ 0 0 42 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.406 76.2 89.3 -79.8 8.8 93.8 39.4 90.5 462 61 B A T <4 S+ 0 0 54 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.1 0.811 119.3 1.3 -70.0 -25.6 94.2 43.1 89.3 463 62 B F T <4 S+ 0 0 36 -3,-1.4 -2,-0.2 -4,-0.2 -3,-0.1 0.682 122.7 70.0-120.3 -53.9 90.7 42.3 87.8 464 63 B H S < S- 0 0 2 -4,-2.1 81,-0.2 1,-0.1 80,-0.1 -0.397 82.9-107.5 -76.5 149.0 89.6 38.7 88.7 465 64 B S > - 0 0 4 79,-2.2 4,-2.5 1,-0.1 5,-0.2 -0.415 21.2-122.4 -72.7 153.0 88.6 37.6 92.1 466 65 B T H > S+ 0 0 64 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.906 113.5 51.5 -59.5 -43.4 90.9 35.3 94.1 467 66 B E H > S+ 0 0 100 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.893 111.0 47.1 -63.1 -40.6 88.1 32.7 94.4 468 67 B Y H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.916 113.6 47.0 -65.8 -47.8 87.4 32.7 90.7 469 68 B V H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.931 113.0 51.4 -60.6 -42.6 91.2 32.4 89.8 470 69 B D H X S+ 0 0 77 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.908 110.3 48.0 -58.4 -47.7 91.4 29.6 92.5 471 70 B A H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.872 110.6 51.5 -61.8 -41.1 88.4 27.7 90.9 472 71 B L H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 35,-0.2 0.908 110.8 47.3 -63.5 -42.2 89.8 28.0 87.4 473 72 B K H X S+ 0 0 58 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.884 113.9 48.9 -63.9 -39.8 93.2 26.6 88.5 474 73 B K H X S+ 0 0 85 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.875 106.4 56.7 -68.4 -39.3 91.3 23.7 90.3 475 74 B L H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.905 108.6 46.7 -58.1 -43.9 89.2 23.1 87.1 476 75 B Q H X S+ 0 0 30 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.944 112.6 49.3 -61.9 -50.5 92.5 22.5 85.2 477 76 B M H >< S+ 0 0 118 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.917 112.0 50.0 -57.1 -42.5 93.9 20.2 87.9 478 77 B L H >< S+ 0 0 40 -4,-3.0 3,-1.4 1,-0.2 -1,-0.2 0.907 108.9 50.0 -64.6 -42.5 90.5 18.3 87.9 479 78 B H H 3< S+ 0 0 74 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.671 101.7 65.1 -73.2 -10.1 90.6 17.8 84.1 480 79 B C T << 0 0 69 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.193 360.0 360.0 -93.4 15.1 94.2 16.5 84.4 481 80 B E < 0 0 187 -3,-1.4 0, 0.0 0, 0.0 0, 0.0 -0.892 360.0 360.0-134.6 360.0 93.0 13.4 86.4 482 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 483 84 B L 0 0 95 0, 0.0 2,-0.1 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 145.8 84.4 15.6 90.0 484 85 B T > - 0 0 81 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.416 360.0-105.4 -78.4 165.7 82.7 15.4 93.4 485 86 B A H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.875 124.3 50.0 -60.2 -37.6 79.3 16.9 93.9 486 87 B D H > S+ 0 0 114 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.882 110.1 49.9 -68.5 -37.4 80.9 19.9 95.8 487 88 B D H > S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.921 110.4 50.0 -66.2 -42.2 83.5 20.4 93.0 488 89 B E H X S+ 0 0 76 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.937 112.4 47.9 -61.0 -44.4 80.7 20.4 90.4 489 90 B L H X S+ 0 0 22 -4,-2.2 4,-1.7 2,-0.2 -447,-0.2 0.900 110.9 50.8 -61.0 -44.1 78.8 23.0 92.5 490 91 B L H < S+ 0 0 58 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.931 112.4 46.4 -58.8 -48.4 81.9 25.2 92.9 491 92 B M H ><>S+ 0 0 2 -4,-2.5 5,-2.8 1,-0.2 3,-1.4 0.908 110.8 52.3 -61.4 -44.1 82.5 25.1 89.1 492 93 B D H ><5S+ 0 0 4 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.822 100.4 63.5 -62.7 -30.3 78.8 26.0 88.4 493 94 B S T 3<5S+ 0 0 71 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.663 109.6 39.0 -67.7 -18.6 79.1 29.0 90.8 494 95 B F T < 5S- 0 0 21 -3,-1.4 53,-2.3 -4,-0.5 -1,-0.3 0.203 117.6-110.6-112.6 10.6 81.7 30.6 88.4 495 96 B S T < 5 + 0 0 10 -3,-1.3 2,-1.7 51,-0.2 5,-0.3 0.764 66.1 152.2 59.9 32.0 79.9 29.5 85.2 496 97 B L < + 0 0 6 -5,-2.8 2,-0.3 -6,-0.2 6,-0.2 -0.490 52.9 63.7 -88.4 63.9 82.8 27.0 84.6 497 98 B N S > S+ 0 0 17 -2,-1.7 3,-2.9 4,-0.2 2,-0.2 -0.894 88.4 21.2-164.3-176.2 80.4 24.7 82.7 498 99 B Y T 3 S+ 0 0 77 1,-0.3 -2,-0.0 -2,-0.3 -3,-0.0 -0.223 133.3 16.4 42.5 -98.7 78.2 24.6 79.5 499 100 B D T 3 S+ 0 0 92 1,-0.3 -1,-0.3 -2,-0.2 49,-0.1 0.670 138.4 40.3 -72.0 -23.5 79.7 27.4 77.2 500 101 B C S < S+ 0 0 3 -3,-2.9 -1,-0.3 -5,-0.3 -2,-0.1 -0.613 84.3 171.6-125.3 69.7 83.0 27.5 79.3 501 102 B P - 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