==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-MAR-08 2VQM . COMPND 2 MOLECULE: HISTONE DEACETYLASE 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.J.BOTTOMLEY,P.LO SURDO,P.DI GIOVINE,A.CIRILLO,R.SCARPELLI, . 391 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16917.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.3 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 . 22 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 1 1 1 2 1 1 0 3 0 0 2 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 1 3 1 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 . 2 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 6 A P 0 0 94 0, 0.0 3,-0.1 0, 0.0 43,-0.0 0.000 360.0 360.0 360.0 147.2 10.4 -27.9 30.6 2 7 A R + 0 0 209 1,-0.2 2,-1.9 130,-0.1 131,-0.2 0.857 360.0 68.7 -82.5 -33.3 12.7 -24.9 31.0 3 8 A F S S+ 0 0 131 129,-0.1 2,-0.2 130,-0.1 -1,-0.2 -0.550 89.6 90.4 -82.0 77.0 16.0 -26.5 29.8 4 9 A T S S- 0 0 20 -2,-1.9 129,-2.0 127,-0.2 130,-0.8 -0.699 84.9 -38.7-146.9-161.4 14.8 -26.8 26.2 5 10 A T E -a 134 0A 0 37,-0.3 39,-2.4 -2,-0.2 2,-0.3 -0.573 53.8-150.3 -77.6 129.0 14.7 -24.9 22.9 6 11 A G E -ab 135 44A 0 128,-2.3 130,-2.1 -2,-0.3 2,-0.4 -0.688 7.3-161.8 -96.0 149.8 14.2 -21.1 23.1 7 12 A L E -ab 136 45A 0 37,-2.3 39,-3.2 -2,-0.3 2,-0.4 -0.983 0.8-163.8-125.1 142.8 12.5 -18.9 20.5 8 13 A V E +ab 137 46A 0 128,-1.5 130,-2.7 -2,-0.4 2,-0.3 -0.997 22.3 146.5-125.8 138.0 12.7 -15.1 20.2 9 14 A Y - 0 0 26 37,-0.6 39,-0.5 -2,-0.4 2,-0.3 -0.954 22.1-163.9-158.2 156.1 10.3 -13.0 18.1 10 15 A D > - 0 0 32 128,-0.4 3,-2.2 -2,-0.3 4,-0.2 -0.848 19.4-147.9-156.6 119.3 8.9 -9.4 18.5 11 16 A T G > S+ 0 0 51 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.676 95.2 74.6 -57.3 -22.6 5.9 -7.9 16.7 12 17 A L G 3 S+ 0 0 128 1,-0.3 -1,-0.3 4,-0.0 103,-0.1 0.556 86.1 64.5 -70.7 -8.3 7.6 -4.4 16.9 13 18 A M G < S+ 0 0 0 -3,-2.2 -1,-0.3 102,-0.1 2,-0.2 0.636 88.3 95.5 -79.4 -16.1 9.9 -5.7 14.0 14 19 A L < - 0 0 22 -3,-1.5 3,-0.2 -4,-0.2 84,-0.1 -0.524 65.9-151.4 -82.5 140.2 6.8 -5.9 11.8 15 20 A K S S+ 0 0 48 1,-0.3 83,-2.1 -2,-0.2 2,-0.3 0.891 93.9 8.2 -63.6 -42.0 5.6 -3.3 9.3 16 21 A H - 0 0 26 81,-0.2 2,-0.4 2,-0.0 9,-0.3 -0.915 66.5-154.4-151.3 116.4 2.1 -4.6 9.9 17 22 A Q + 0 0 110 -2,-0.3 2,-0.3 79,-0.3 79,-0.2 -0.753 25.3 173.3 -88.1 137.4 0.7 -7.1 12.4 18 23 A C > - 0 0 25 -2,-0.4 3,-1.3 77,-0.1 2,-0.2 -0.940 30.8-129.9-155.0 122.7 -2.5 -8.8 11.2 19 24 A T T 3 S+ 0 0 131 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.492 98.4 27.6 -72.5 140.0 -4.7 -11.7 12.5 20 25 A C T 3 0 0 135 -2,-0.2 -1,-0.2 4,-0.0 0, 0.0 0.488 360.0 360.0 79.5 8.4 -5.5 -14.3 9.8 21 26 A G < 0 0 54 -3,-1.3 -2,-0.1 7,-0.0 8,-0.1 0.978 360.0 360.0 -74.9 360.0 -2.2 -13.5 8.0 22 ! 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 23 34 A H 0 0 135 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.0 -0.4 -10.2 3.1 24 35 A A - 0 0 17 -8,-0.1 -7,-0.1 4,-0.0 -4,-0.0 0.859 360.0-128.3 60.2 114.9 1.7 -11.1 6.1 25 36 A G > - 0 0 47 -9,-0.3 4,-1.6 4,-0.0 5,-0.1 0.120 33.8 -75.2 -80.5-163.1 5.5 -11.0 5.7 26 37 A R H > S+ 0 0 48 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.952 121.8 38.1 -65.0 -60.6 8.3 -13.5 6.3 27 38 A I H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.858 114.9 53.8 -69.6 -34.7 8.7 -13.6 10.1 28 39 A Q H > S+ 0 0 15 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.897 111.3 48.0 -62.2 -38.7 5.0 -13.3 10.9 29 40 A S H X S+ 0 0 18 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.914 111.6 48.3 -68.3 -42.8 4.5 -16.3 8.6 30 41 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.937 110.6 51.8 -62.3 -45.3 7.3 -18.4 10.2 31 42 A W H X S+ 0 0 24 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.885 109.7 50.2 -57.7 -40.3 5.9 -17.6 13.7 32 43 A S H X S+ 0 0 47 -4,-1.7 4,-4.0 2,-0.2 -1,-0.2 0.904 109.3 50.4 -66.5 -42.1 2.5 -18.8 12.6 33 44 A R H X S+ 0 0 48 -4,-2.2 4,-1.8 2,-0.2 6,-0.3 0.859 113.6 45.5 -61.1 -39.9 3.9 -22.0 11.2 34 45 A L H X>S+ 0 0 0 -4,-2.2 6,-1.6 2,-0.2 5,-1.1 0.917 117.3 44.6 -70.5 -44.8 5.8 -22.6 14.5 35 46 A Q H ><5S+ 0 0 99 -4,-2.9 3,-1.6 -5,-0.2 6,-0.2 0.977 114.5 49.2 -55.8 -56.8 2.6 -21.7 16.5 36 47 A E H 3<5S+ 0 0 147 -4,-4.0 -2,-0.2 1,-0.3 -1,-0.2 0.781 111.6 47.4 -57.9 -38.3 0.4 -23.8 14.2 37 48 A T H 3<5S- 0 0 54 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.548 112.1-120.3 -79.6 -10.2 2.5 -26.9 14.4 38 49 A G T >4 S+ 0 0 83 -6,-1.6 3,-0.6 1,-0.2 -1,-0.2 0.886 102.5 58.7 -57.9 -38.0 6.3 -22.9 19.9 41 52 A G H 34 S+ 0 0 65 -7,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.821 107.1 44.9 -60.9 -34.2 4.4 -24.7 22.6 42 53 A K H << S+ 0 0 130 -4,-1.0 -37,-0.3 -3,-0.6 -1,-0.3 0.603 108.8 77.0 -83.3 -13.9 7.3 -27.0 23.3 43 54 A C S << S- 0 0 4 -4,-1.0 2,-0.6 -3,-0.6 -37,-0.2 -0.567 84.7-116.6 -95.9 158.6 9.7 -24.1 23.2 44 55 A E E -b 6 0A 66 -39,-2.4 -37,-2.3 -2,-0.2 2,-0.4 -0.873 29.6-139.8 -90.7 118.0 10.5 -21.4 25.8 45 56 A C E -b 7 0A 49 -2,-0.6 2,-0.4 -39,-0.2 -37,-0.2 -0.689 18.2-156.2 -81.2 127.2 9.5 -18.0 24.3 46 57 A I E -b 8 0A 11 -39,-3.2 -37,-0.6 -2,-0.4 2,-0.5 -0.848 14.0-122.4-108.6 138.1 12.1 -15.3 25.2 47 58 A R - 0 0 220 -2,-0.4 -37,-0.1 -39,-0.1 2,-0.1 -0.695 28.3-152.8 -83.2 127.1 11.4 -11.6 25.4 48 59 A G - 0 0 18 -39,-0.5 2,-0.3 -2,-0.5 71,-0.1 -0.205 13.1-176.7 -86.3-178.8 13.5 -9.4 23.1 49 60 A R - 0 0 71 66,-0.4 70,-0.3 65,-0.1 2,-0.2 -0.958 36.5 -72.1-164.6 169.4 14.6 -5.8 23.4 50 61 A K - 0 0 135 -2,-0.3 65,-0.2 68,-0.2 2,-0.1 -0.511 49.4-116.0 -67.8 137.3 16.6 -3.1 21.6 51 62 A A - 0 0 0 63,-2.3 2,-0.1 -2,-0.2 67,-0.1 -0.455 35.0-114.2 -60.9 146.4 20.3 -3.5 21.5 52 63 A T > - 0 0 60 1,-0.1 4,-2.0 -2,-0.1 5,-0.2 -0.460 21.4-114.1 -75.6 159.4 22.0 -0.6 23.3 53 64 A L H > S+ 0 0 47 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.862 119.7 54.0 -61.0 -36.2 24.2 1.8 21.3 54 65 A E H 4 S+ 0 0 147 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.908 106.5 51.4 -64.3 -42.1 27.2 0.4 23.2 55 66 A E H >4 S+ 0 0 6 1,-0.2 3,-1.5 2,-0.2 4,-0.3 0.922 109.2 49.5 -59.9 -46.7 26.3 -3.2 22.1 56 67 A L H >X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.3 3,-1.5 0.843 102.9 64.0 -62.2 -32.1 26.0 -2.2 18.5 57 68 A Q T 3< S+ 0 0 71 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.527 79.0 80.0 -76.5 -3.2 29.4 -0.4 18.7 58 69 A T T <4 S+ 0 0 27 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.776 119.0 11.5 -62.9 -25.7 31.2 -3.7 19.4 59 70 A V T <4 S+ 0 0 19 -3,-1.5 2,-0.2 -4,-0.3 -2,-0.2 0.705 125.2 55.7-118.6 -42.6 31.0 -4.1 15.6 60 71 A H S < S- 0 0 5 -4,-2.6 89,-0.2 1,-0.1 88,-0.1 -0.635 84.1 -99.2-105.1 155.7 29.9 -0.8 14.0 61 72 A S > - 0 0 25 87,-2.0 4,-2.2 -2,-0.2 5,-0.2 -0.229 31.7-115.8 -63.9 156.0 31.3 2.7 14.2 62 73 A E H > S+ 0 0 121 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.918 117.2 52.7 -56.2 -44.4 29.8 5.3 16.6 63 74 A A H > S+ 0 0 73 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.920 109.6 48.0 -60.6 -46.1 28.8 7.4 13.6 64 75 A H H > S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 5,-0.4 0.922 112.6 49.3 -57.2 -46.8 27.0 4.4 11.9 65 76 A T H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.894 112.1 46.1 -65.3 -42.4 25.2 3.6 15.1 66 77 A L H X S+ 0 0 64 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.896 114.5 48.3 -69.8 -38.6 23.9 7.1 15.8 67 78 A L H < S+ 0 0 98 -4,-2.3 3,-0.2 -5,-0.2 -2,-0.2 0.978 127.9 21.3 -64.4 -57.2 22.7 7.7 12.3 68 79 A Y H < S+ 0 0 79 -4,-2.2 46,-0.2 -5,-0.2 -2,-0.2 0.650 122.0 56.5 -88.8 -18.1 20.8 4.4 11.8 69 80 A G H < S+ 0 0 8 -4,-2.0 2,-0.3 -5,-0.4 -3,-0.2 0.561 94.4 68.8 -94.9 -9.9 20.1 3.5 15.5 70 81 A T S < S- 0 0 46 -4,-0.8 41,-0.0 -3,-0.2 40,-0.0 -0.831 89.1-100.1-116.7 148.8 18.3 6.5 16.8 71 82 A N > - 0 0 91 -2,-0.3 3,-1.2 1,-0.2 4,-0.4 -0.493 28.2-147.1 -65.8 120.8 14.8 8.0 16.2 72 83 A P G > S+ 0 0 34 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.828 92.6 66.7 -62.8 -30.6 15.3 10.8 13.7 73 84 A L G > S+ 0 0 30 1,-0.3 3,-1.4 2,-0.2 -2,-0.1 0.773 87.3 69.4 -61.6 -27.6 12.4 12.9 15.2 74 85 A N G < S+ 0 0 143 -3,-1.2 -1,-0.3 1,-0.3 -3,-0.0 0.772 97.5 51.9 -59.6 -27.0 14.4 13.3 18.4 75 86 A R G < 0 0 172 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.552 360.0 360.0 -83.5 -10.0 16.8 15.6 16.5 76 87 A Q < 0 0 167 -3,-1.4 -2,-0.2 -4,-0.3 -3,-0.1 0.753 360.0 360.0-113.9 360.0 13.9 17.7 15.2 77 ! 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 78 92 A K > 0 0 219 0, 0.0 4,-1.4 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -54.5 1.4 20.1 14.4 79 93 A K H > + 0 0 77 2,-0.2 4,-1.9 3,-0.2 5,-0.1 0.732 360.0 52.5 -78.1 -26.5 4.4 19.0 12.3 80 94 A L H > S+ 0 0 109 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.923 110.6 45.6 -69.4 -47.6 4.9 16.2 14.8 81 95 A L H > S+ 0 0 129 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.860 115.2 48.8 -62.5 -37.4 1.3 15.1 14.4 82 96 A G H X S+ 0 0 43 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.857 111.3 48.8 -69.1 -38.8 1.7 15.4 10.6 83 97 A S H X S+ 0 0 36 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.931 114.2 45.6 -64.6 -47.5 5.0 13.4 10.7 84 98 A L H >X S+ 0 0 80 -4,-2.7 4,-0.7 1,-0.2 3,-0.6 0.893 108.5 58.9 -61.4 -41.9 3.4 10.7 12.8 85 99 A A H >< S+ 0 0 67 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.921 106.4 44.2 -54.9 -52.0 0.3 10.6 10.6 86 100 A S H 3< S+ 0 0 63 -4,-1.6 -1,-0.2 1,-0.3 13,-0.2 0.567 96.0 74.8 -80.0 -9.5 2.0 9.8 7.3 87 101 A V H << S+ 0 0 24 -4,-0.8 12,-3.0 -3,-0.6 -1,-0.3 0.872 99.2 58.1 -58.7 -35.9 4.2 7.1 8.9 88 102 A F E << -H 98 0B 107 -3,-1.0 2,-0.3 -4,-0.7 10,-0.2 -0.594 62.3-172.8-103.1 156.2 1.0 5.0 8.9 89 103 A V E -H 97 0B 51 8,-2.2 8,-2.1 -2,-0.2 2,-0.3 -0.992 26.7-121.0-144.0 140.6 -1.5 3.8 6.2 90 104 A R E -H 96 0B 210 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.671 34.5-146.1 -84.5 136.3 -4.8 2.0 6.6 91 105 A L > - 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0 0 4 7,-0.5 6,-2.8 -3,-0.5 5,-0.6 -0.741 68.7-138.0-124.3 80.7 14.4 -18.9 -5.1 282 296 A P T >>5 - 0 0 93 0, 0.0 3,-2.0 0, 0.0 4,-1.0 -0.073 34.5 -77.7 -50.7 134.3 14.9 -18.3 -8.8 283 297 A T T 345S+ 0 0 85 1,-0.3 -43,-0.0 2,-0.2 -2,-0.0 -0.025 123.0 42.7 16.1 -40.1 18.4 -17.7 -10.4 284 298 A P T 345S+ 0 0 110 0, 0.0 -1,-0.3 0, 0.0 -71,-0.2 0.714 123.2 38.6 -87.9 -37.1 19.3 -14.1 -9.6 285 299 A L T <45S- 0 0 72 -3,-2.0 -2,-0.2 2,-0.0 -9,-0.1 0.925 145.1 -30.8 -71.6 -48.0 18.1 -14.3 -5.9 286 300 A G << - 0 0 0 -4,-1.0 -3,-0.2 -5,-0.6 -9,-0.1 0.414 54.5-166.8-135.8 -86.1 19.3 -17.8 -5.2 287 301 A G + 0 0 10 -6,-2.8 -4,-0.2 1,-0.4 2,-0.1 0.161 54.5 106.4 107.6 -16.5 19.5 -20.4 -8.0 288 302 A Y - 0 0 4 -12,-0.4 -7,-0.5 -7,-0.2 -1,-0.4 -0.468 56.3-149.1 -97.8 163.8 19.9 -23.5 -5.7 289 303 A N + 0 0 62 -45,-2.5 -43,-0.4 -10,-0.2 -11,-0.2 -0.212 30.9 154.4-134.5 51.9 17.4 -26.2 -4.8 290 304 A L B -k 278 0E 0 -13,-1.9 -11,-2.8 -45,-0.2 2,-0.2 -0.348 43.5-117.8 -63.7 153.7 18.1 -27.6 -1.4 291 305 A S > - 0 0 35 -13,-0.2 4,-0.7 1,-0.1 3,-0.3 -0.645 15.8-122.6 -86.4 154.1 15.1 -29.1 0.4 292 306 A A H >> S+ 0 0 15 -2,-0.2 3,-1.0 1,-0.2 4,-0.8 0.903 112.9 59.9 -58.3 -41.1 13.8 -27.6 3.7 293 307 A R H >> S+ 0 0 97 1,-0.3 4,-1.3 2,-0.2 3,-0.6 0.813 92.5 65.6 -64.0 -29.3 14.4 -31.0 5.3 294 308 A C H 3> S+ 0 0 0 -3,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.864 96.3 57.6 -56.7 -38.7 18.1 -30.9 4.5 295 309 A F H < S+ 0 0 81 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.938 109.8 45.6 -58.5 -50.2 25.1 -32.0 12.5 302 316 A L H >< S+ 0 0 0 -4,-1.9 3,-1.8 1,-0.3 6,-0.3 0.787 100.8 68.5 -67.0 -28.1 26.1 -28.7 14.2 303 317 A M H 3< S+ 0 0 28 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.665 87.2 69.2 -64.9 -19.3 24.3 -29.8 17.4 304 318 A G T << S+ 0 0 66 -3,-1.3 -1,-0.3 -4,-0.5 3,-0.3 0.467 94.0 72.8 -71.6 -4.9 27.1 -32.4 17.8 305 319 A L S X S+ 0 0 16 -3,-1.8 3,-3.0 1,-0.2 4,-0.3 -0.702 95.4 16.5-109.7 162.2 29.5 -29.5 18.5 306 320 A A G > S- 0 0 15 -40,-0.5 3,-1.4 1,-0.3 -1,-0.2 0.730 124.8 -71.2 52.1 26.7 29.9 -27.2 21.5 307 321 A G G 3 S- 0 0 81 -3,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.610 93.4 -56.5 65.1 13.5 27.9 -29.7 23.6 308 322 A G G < S+ 0 0 11 -3,-3.0 2,-1.6 -6,-0.3 -1,-0.2 0.516 94.9 145.1 93.5 7.3 24.8 -28.6 21.7 309 323 A R < + 0 0 109 -3,-1.4 -40,-2.8 -4,-0.3 2,-0.4 -0.602 29.4 141.4 -80.9 86.4 25.1 -24.9 22.6 310 324 A I E - g 0 269A 0 -2,-1.6 -175,-1.1 -177,-0.5 2,-0.4 -0.971 35.3-170.0-135.9 142.3 23.8 -23.5 19.4 311 325 A V E -cg 135 270A 3 -42,-1.8 -40,-2.8 -2,-0.4 2,-0.4 -0.998 9.7-156.6-130.0 129.3 21.6 -20.6 18.2 312 326 A L E -cg 136 271A 0 -177,-2.3 -175,-2.8 -2,-0.4 2,-0.5 -0.894 7.8-163.8-100.0 134.3 20.3 -20.1 14.7 313 327 A A E -cg 137 272A 3 -42,-3.1 -40,-2.6 -2,-0.4 -175,-0.1 -0.978 25.2-116.7-121.7 122.2 19.4 -16.6 13.6 314 328 A L E + g 0 273A 1 -177,-2.4 -40,-0.3 -2,-0.5 3,-0.1 -0.347 43.1 161.6 -56.3 129.5 17.2 -16.1 10.5 315 329 A E - 0 0 4 -42,-1.1 -41,-0.1 1,-0.5 -1,-0.1 0.288 52.4 -8.9-112.7-110.9 19.0 -14.1 7.7 316 330 A G + 0 0 10 -132,-0.1 -41,-2.1 -175,-0.1 -1,-0.5 -0.031 67.4 120.3 -82.8-169.1 17.8 -14.3 4.1 317 331 A G - 0 0 8 -43,-0.3 -41,-0.2 -42,-0.3 -291,-0.1 -0.100 24.6-175.7 112.9 135.4 15.1 -16.4 2.4 318 332 A H + 0 0 126 -43,-0.2 2,-0.2 -2,-0.1 -37,-0.1 0.649 52.5 92.3-132.1 -49.3 12.0 -15.0 0.6 319 333 A D > - 0 0 59 1,-0.1 4,-2.7 -41,-0.1 5,-0.3 -0.426 65.7-145.5 -59.6 121.4 9.6 -17.7 -0.6 320 334 A L H > S+ 0 0 67 -2,-0.2 4,-2.2 2,-0.2 5,-0.3 0.912 95.8 47.8 -62.0 -47.2 7.1 -18.2 2.3 321 335 A T H > S+ 0 0 84 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.962 114.5 48.2 -56.8 -53.5 6.6 -22.0 1.8 322 336 A A H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.910 114.8 42.6 -50.4 -53.1 10.4 -22.5 1.6 323 337 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.796 117.0 48.0 -72.0 -29.8 11.3 -20.4 4.7 324 338 A C H X S+ 0 0 8 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.918 113.0 47.3 -73.4 -46.4 8.4 -21.9 6.8 325 339 A D H X S+ 0 0 62 -4,-3.2 4,-1.9 -5,-0.3 -2,-0.2 0.936 117.5 44.1 -55.2 -47.0 9.3 -25.5 5.7 326 340 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.902 111.8 50.4 -68.8 -43.9 13.0 -24.8 6.6 327 341 A S H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.909 111.4 51.2 -60.0 -43.0 12.3 -23.0 9.9 328 342 A E H X S+ 0 0 65 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.880 110.3 48.2 -59.3 -43.4 10.0 -25.9 10.9 329 343 A A H X S+ 0 0 14 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.889 113.1 47.6 -66.8 -41.2 12.8 -28.4 10.1 330 344 A C H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.925 114.0 45.0 -68.1 -45.5 15.5 -26.5 12.1 331 345 A V H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.914 111.8 52.9 -65.2 -43.1 13.3 -26.0 15.2 332 346 A S H <>S+ 0 0 21 -4,-2.0 5,-2.2 -5,-0.2 4,-0.3 0.874 110.6 48.9 -58.4 -40.9 12.2 -29.6 15.1 333 347 A A H ><5S+ 0 0 1 -4,-1.8 3,-1.4 1,-0.2 -2,-0.2 0.918 108.8 51.5 -62.3 -47.1 15.8 -30.7 15.0 334 348 A L H 3<5S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.820 107.0 54.6 -62.6 -32.6 16.8 -28.4 17.9 335 349 A L T 3<5S- 0 0 24 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.541 117.0-116.3 -75.7 -10.9 13.9 -29.9 20.0 336 350 A G T < 5 + 0 0 53 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.647 60.9 154.6 82.8 16.8 15.4 -33.4 19.3 337 351 A N < - 0 0 52 -5,-2.2 2,-0.3 -6,-0.2 -1,-0.2 -0.340 54.4 -95.3 -71.2 156.4 12.4 -34.6 17.4 338 352 A E - 0 0 192 1,-0.0 2,-0.2 -2,-0.0 -1,-0.1 -0.586 45.5-137.9 -73.0 134.0 12.8 -37.4 14.8 339 353 A L - 0 0 22 -2,-0.3 3,-0.1 1,-0.1 -1,-0.0 -0.576 23.1 -94.2 -92.6 154.1 13.2 -35.8 11.4 340 354 A D - 0 0 107 -2,-0.2 -1,-0.1 1,-0.1 -44,-0.1 -0.551 53.9-109.2 -60.3 123.2 11.7 -36.9 8.1 341 355 A P - 0 0 95 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.283 32.0-106.7 -55.1 141.3 14.3 -39.2 6.4 342 356 A L - 0 0 17 1,-0.1 5,-0.1 -49,-0.1 -3,-0.0 -0.459 47.7 -93.3 -65.3 141.3 16.1 -37.8 3.4 343 357 A P > - 0 0 54 0, 0.0 4,-1.9 0, 0.0 3,-0.4 -0.184 26.9-117.8 -56.6 150.4 14.9 -39.5 0.1 344 358 A E H > S+ 0 0 113 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.881 115.2 65.0 -55.1 -37.4 16.9 -42.5 -1.1 345 359 A K H > S+ 0 0 168 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.914 104.2 42.1 -48.3 -53.6 17.6 -40.3 -4.2 346 360 A V H >4 S+ 0 0 14 -3,-0.4 3,-0.5 1,-0.2 38,-0.4 0.906 112.4 52.9 -66.8 -42.2 19.6 -37.8 -2.2 347 361 A L H 3< S+ 0 0 50 -4,-1.9 38,-1.9 1,-0.2 37,-0.4 0.819 114.3 43.7 -62.4 -31.4 21.5 -40.4 -0.1 348 362 A Q H 3< S+ 0 0 94 -4,-2.0 2,-0.3 -5,-0.2 -1,-0.2 0.630 91.7 107.3 -85.5 -17.7 22.6 -42.2 -3.3 349 363 A Q << - 0 0 75 -4,-0.9 35,-0.4 -3,-0.5 36,-0.1 -0.464 62.0-140.7 -78.6 128.3 23.5 -39.1 -5.3 350 364 A R - 0 0 158 -2,-0.3 33,-0.2 33,-0.2 32,-0.1 -0.643 35.2-102.3 -76.7 138.6 27.1 -38.2 -6.0 351 365 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.340 46.6 -97.3 -57.6 142.6 27.8 -34.4 -5.7 352 366 A N > - 0 0 19 -109,-0.1 4,-2.3 1,-0.1 3,-0.2 -0.067 32.2-106.9 -61.8 161.8 28.0 -32.6 -9.1 353 367 A A H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.841 117.5 53.1 -62.3 -40.5 31.4 -31.9 -10.7 354 368 A N H > S+ 0 0 27 -113,-0.2 4,-2.3 2,-0.2 -117,-0.4 0.887 110.4 49.2 -60.4 -40.8 31.4 -28.2 -10.1 355 369 A A H > S+ 0 0 0 -3,-0.2 4,-2.9 2,-0.2 5,-0.2 0.914 109.7 50.3 -67.0 -44.6 30.8 -28.8 -6.4 356 370 A V H X S+ 0 0 24 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.929 111.7 48.8 -59.4 -44.9 33.6 -31.4 -6.1 357 371 A R H X S+ 0 0 151 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.933 112.5 48.4 -58.9 -47.3 36.0 -28.9 -7.8 358 372 A S H X S+ 0 0 8 -4,-2.3 4,-1.7 -121,-0.2 -2,-0.2 0.924 112.7 47.5 -59.4 -47.6 34.8 -26.1 -5.4 359 373 A M H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.912 112.3 49.8 -61.4 -43.4 35.2 -28.4 -2.3 360 374 A E H X S+ 0 0 83 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.878 106.5 54.9 -67.7 -36.6 38.7 -29.6 -3.4 361 375 A K H X S+ 0 0 94 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.912 112.3 43.9 -58.1 -43.8 39.9 -26.0 -4.0 362 376 A V H X S+ 0 0 1 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.919 112.3 51.3 -69.1 -45.1 39.0 -25.1 -0.4 363 377 A M H X S+ 0 0 25 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.855 110.2 51.3 -59.1 -38.4 40.5 -28.3 1.1 364 378 A E H X S+ 0 0 150 -4,-2.2 4,-0.6 2,-0.2 3,-0.3 0.924 112.0 45.1 -63.8 -49.6 43.7 -27.6 -0.8 365 379 A I H >< S+ 0 0 41 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.895 118.8 42.6 -60.7 -41.3 44.0 -24.0 0.5 366 380 A H H >X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 3,-1.3 0.491 88.7 84.5 -93.8 -4.9 43.1 -25.0 4.1 367 381 A S H 3< S+ 0 0 39 -4,-1.0 -1,-0.2 -3,-0.3 6,-0.2 0.866 85.7 63.9 -58.4 -34.9 45.3 -28.2 4.2 368 382 A K T << S+ 0 0 156 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.729 114.1 29.6 -55.3 -26.1 48.0 -25.7 5.2 369 383 A Y T <4 S+ 0 0 71 -3,-1.3 2,-0.4 1,-0.2 -2,-0.2 0.568 112.9 59.3-117.4 -14.7 46.1 -24.7 8.4 370 384 A W >< - 0 0 12 -4,-1.6 3,-1.1 1,-0.1 -1,-0.2 -0.977 58.5-151.4-129.6 129.5 44.1 -27.8 9.5 371 385 A R G >> S+ 0 0 191 -2,-0.4 3,-1.8 1,-0.2 4,-1.0 0.810 95.2 67.4 -64.5 -32.5 45.4 -31.3 10.4 372 386 A C G 34 S+ 0 0 40 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.701 104.0 45.4 -63.6 -19.8 42.2 -33.0 9.3 373 387 A L G <4 S+ 0 0 25 -3,-1.1 -1,-0.3 -7,-0.2 -2,-0.2 0.214 104.8 62.5-106.2 10.1 43.0 -32.0 5.7 374 388 A Q T <4 S+ 0 0 100 -3,-1.8 -2,-0.2 1,-0.0 -1,-0.1 0.652 92.2 65.0-100.8 -22.9 46.7 -33.1 5.9 375 389 A R S < S+ 0 0 83 -4,-1.0 2,-0.2 2,-0.0 -2,-0.1 0.861 102.6 16.6 -70.1 -39.4 46.0 -36.8 6.5 376 390 A T - 0 0 113 -4,-0.3 2,-0.2 1,-0.0 3,-0.0 -0.523 69.6 -93.9-133.8 179.5 44.3 -38.0 3.3 377 391 A T - 0 0 120 -2,-0.2 2,-0.1 1,-0.1 -1,-0.0 -0.653 60.8 -80.7 -94.1 160.0 43.2 -37.8 -0.3 378 392 A S + 0 0 50 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.369 38.6 173.3 -69.0 137.2 39.8 -36.3 -1.3 379 393 A T > + 0 0 54 -2,-0.1 3,-1.6 1,-0.1 -1,-0.1 0.005 43.7 121.4-121.4 24.7 36.6 -38.3 -1.1 380 394 A A T 3 + 0 0 0 1,-0.3 -125,-0.1 -24,-0.1 -126,-0.1 0.801 66.2 61.4 -59.5 -33.1 34.4 -35.3 -1.9 381 395 A G T 3 S+ 0 0 30 -31,-0.1 -1,-0.3 -25,-0.1 2,-0.2 0.525 83.3 101.3 -77.8 -8.8 32.9 -37.0 -5.0 382 396 A R S < S- 0 0 94 -3,-1.6 -33,-0.1 -32,-0.1 -3,-0.1 -0.514 72.8-122.7 -69.8 144.4 31.3 -39.9 -3.1 383 397 A S > - 0 0 2 -35,-0.2 4,-2.6 -2,-0.2 5,-0.2 -0.273 33.4-103.7 -68.2 167.8 27.6 -40.0 -2.2 384 398 A L H > S+ 0 0 52 -37,-0.4 4,-2.5 -38,-0.4 5,-0.2 0.921 123.7 50.6 -64.1 -47.1 26.7 -40.3 1.5 385 399 A I H > S+ 0 0 45 -38,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.907 113.4 47.2 -54.6 -44.0 25.9 -44.1 1.2 386 400 A E H > S+ 0 0 55 -39,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.918 111.3 48.7 -65.4 -46.0 29.3 -44.6 -0.6 387 401 A A H < S+ 0 0 15 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.886 113.4 49.0 -61.8 -38.9 31.2 -42.6 2.1 388 402 A Q H >X S+ 0 0 117 -4,-2.5 3,-1.3 1,-0.2 4,-0.8 0.948 113.0 47.0 -60.4 -52.6 29.5 -44.6 4.8 389 403 A T H 3< S+ 0 0 80 -4,-2.7 4,-0.5 1,-0.2 3,-0.5 0.887 111.3 51.5 -56.9 -42.5 30.3 -47.9 3.0 390 404 A C T 3< S+ 0 0 74 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.201 99.6 62.3 -92.5 16.0 33.9 -46.9 2.4 391 405 A E T <4 S+ 0 0 143 -3,-1.3 -1,-0.2 -4,-0.1 -2,-0.2 0.736 92.5 67.5 -95.4 -34.5 34.8 -46.0 6.0 392 406 A N < 0 0 113 -4,-0.8 -2,-0.1 -3,-0.5 -3,-0.1 0.948 360.0 360.0 -59.0 -75.3 34.2 -49.4 7.5 393 407 A E 0 0 150 -4,-0.5 -1,-0.1 0, 0.0 -3,-0.1 0.201 360.0 360.0-165.6 360.0 36.7 -52.0 6.3