==== 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 18-MAR-08 2VQQ . 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, . 718 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27446.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 495 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 2 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 . 47 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 230 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 6 0 4 0 4 0 2 4 0 2 2 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 2 6 2 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 . 3 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 2 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 7 A R 0 0 92 0, 0.0 2,-1.6 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 138.5 -26.8 -27.0 5.9 2 8 A F + 0 0 132 102,-0.1 2,-0.2 103,-0.1 102,-0.2 -0.609 360.0 101.3 -78.4 88.1 -29.8 -25.5 4.1 3 9 A T S S- 0 0 10 -2,-1.6 102,-1.9 100,-0.2 103,-0.9 -0.709 77.8 -40.6-150.7-165.7 -29.1 -21.9 5.0 4 10 A T E -a 106 0A 0 33,-0.3 35,-2.5 -2,-0.2 103,-0.2 -0.621 55.2-151.8 -77.4 128.6 -27.7 -18.6 3.7 5 11 A G E -ab 107 39A 0 101,-3.0 103,-1.9 -2,-0.4 2,-0.3 -0.628 9.2-165.4 -95.1 156.8 -24.5 -18.9 1.7 6 12 A L E -ab 108 40A 0 33,-2.1 35,-2.7 -2,-0.2 2,-0.4 -0.956 5.4-157.9-132.4 151.8 -21.6 -16.5 1.2 7 13 A V E +ab 109 41A 0 101,-1.3 103,-2.5 -2,-0.3 2,-0.3 -0.997 23.5 151.1-126.6 139.1 -18.7 -16.2 -1.2 8 14 A Y - 0 0 32 33,-0.5 35,-0.3 -2,-0.4 2,-0.3 -0.958 16.9-171.9-155.8 147.5 -15.5 -14.3 -0.6 9 15 A D > - 0 0 39 101,-0.4 3,-2.0 -2,-0.3 4,-0.2 -0.931 22.5-148.5-149.2 124.9 -11.9 -14.8 -1.9 10 16 A T G > S+ 0 0 84 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.681 95.2 75.2 -64.9 -17.7 -8.8 -12.9 -0.7 11 17 A L G 3 S+ 0 0 100 1,-0.3 -1,-0.3 -3,-0.0 76,-0.1 0.641 87.8 61.4 -68.9 -15.0 -7.4 -13.3 -4.3 12 18 A M G < S+ 0 0 0 -3,-2.0 -1,-0.3 75,-0.1 -2,-0.2 0.605 81.9 111.8 -78.9 -13.6 -9.8 -10.6 -5.3 13 19 A L < - 0 0 27 -3,-1.5 71,-0.0 -4,-0.2 -3,-0.0 -0.298 69.5-135.4 -66.8 145.9 -8.1 -8.1 -2.9 14 20 A K S S+ 0 0 63 419,-0.1 2,-0.5 2,-0.1 -1,-0.1 0.932 90.8 65.1 -64.1 -49.6 -6.1 -5.2 -4.4 15 21 A H 0 0 159 1,-0.2 -2,-0.1 418,-0.0 56,-0.1 -0.680 360.0 360.0 -80.5 120.3 -3.1 -5.6 -2.2 16 22 A Q 0 0 105 -2,-0.5 -1,-0.2 54,-0.3 -2,-0.1 0.289 360.0 360.0-146.7 360.0 -1.3 -8.9 -2.8 17 ! 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 18 34 A H 0 0 141 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 72.9 -5.7 -1.1 5.5 19 35 A A - 0 0 31 1,-0.1 2,-0.0 4,-0.1 0, 0.0 -0.522 360.0-155.6 -85.1 134.0 -8.9 -2.8 4.4 20 36 A G > - 0 0 36 -2,-0.3 4,-1.8 414,-0.0 5,-0.1 0.065 44.6 -70.9 -81.0-158.4 -10.8 -2.1 1.2 21 37 A R H > S+ 0 0 49 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.964 128.0 38.8 -68.5 -58.9 -14.6 -2.6 0.5 22 38 A I H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.871 118.0 50.4 -65.3 -34.8 -14.9 -6.5 0.3 23 39 A Q H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.879 111.8 48.1 -69.1 -38.3 -12.4 -7.0 3.2 24 40 A S H X S+ 0 0 21 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.892 112.5 48.6 -67.3 -40.6 -14.3 -4.5 5.3 25 41 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.948 111.6 49.7 -63.3 -47.6 -17.7 -6.2 4.5 26 42 A W H X S+ 0 0 28 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.900 110.6 50.6 -57.8 -43.9 -16.2 -9.6 5.3 27 43 A S H X S+ 0 0 34 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.901 108.2 51.6 -62.0 -44.7 -14.9 -8.3 8.6 28 44 A R H X S+ 0 0 51 -4,-2.2 4,-2.1 1,-0.2 6,-0.3 0.917 108.6 51.5 -57.5 -44.4 -18.3 -6.8 9.6 29 45 A L H < S+ 0 0 0 -4,-2.2 6,-2.9 2,-0.2 5,-0.5 0.861 113.1 46.1 -63.0 -36.2 -20.0 -10.2 8.9 30 46 A Q H >< S+ 0 0 103 -4,-1.8 3,-1.4 4,-0.2 6,-0.2 0.963 113.1 47.5 -65.8 -54.3 -17.4 -11.9 11.2 31 47 A E H 3< S+ 0 0 151 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.786 111.6 50.4 -60.8 -34.5 -17.6 -9.4 14.0 32 48 A T T 3< S- 0 0 55 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.549 110.6-119.9 -80.9 -9.5 -21.4 -9.4 14.1 33 49 A G S <> S+ 0 0 44 -3,-1.4 4,-0.8 -4,-0.3 3,-0.2 0.327 84.9 115.1 83.4 -7.0 -21.6 -13.2 14.2 34 50 A L H >> S+ 0 0 15 -5,-0.5 3,-1.1 -6,-0.3 4,-0.7 0.901 70.5 58.1 -63.1 -41.1 -23.5 -13.3 10.9 35 51 A R H >4 S+ 0 0 82 -6,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.882 101.1 58.0 -52.5 -40.9 -20.6 -15.1 9.1 36 52 A G H 34 S+ 0 0 70 -7,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.756 104.2 50.2 -63.6 -27.2 -20.9 -17.9 11.7 37 53 A K H << S+ 0 0 110 -3,-1.1 -33,-0.3 -4,-0.8 -1,-0.3 0.555 104.6 74.6 -87.4 -10.2 -24.6 -18.5 10.8 38 54 A C S << S- 0 0 8 -3,-1.1 2,-0.7 -4,-0.7 -33,-0.2 -0.567 80.4-119.5-101.3 163.5 -23.8 -18.8 7.0 39 55 A E E -b 5 0A 76 -35,-2.5 -33,-2.1 -2,-0.2 2,-0.5 -0.902 25.8-154.9-100.2 104.6 -22.2 -21.4 4.8 40 56 A A E -b 6 0A 38 -2,-0.7 -33,-0.2 -35,-0.2 2,-0.2 -0.708 17.4-158.2 -78.4 123.1 -19.1 -19.8 3.1 41 57 A I E -b 7 0A 24 -35,-2.7 -33,-0.5 -2,-0.5 2,-0.5 -0.525 20.3 -98.5-102.0 167.9 -18.4 -21.6 -0.1 42 58 A R - 0 0 207 -2,-0.2 -33,-0.1 -35,-0.1 2,-0.0 -0.771 37.5-153.9 -89.1 126.0 -15.3 -22.0 -2.3 43 59 A G - 0 0 6 -2,-0.5 2,-0.3 -35,-0.3 48,-0.1 -0.165 12.6-176.2 -83.4-176.4 -15.1 -19.7 -5.3 44 60 A R - 0 0 61 43,-0.5 2,-0.2 42,-0.1 47,-0.2 -0.960 34.5 -77.6-168.4 164.7 -13.2 -20.2 -8.5 45 61 A K - 0 0 135 -2,-0.3 42,-0.2 45,-0.2 2,-0.1 -0.516 47.2-116.4 -66.6 139.5 -12.3 -18.5 -11.8 46 62 A A - 0 0 0 40,-2.2 2,-0.2 -2,-0.2 44,-0.1 -0.480 35.8-112.3 -63.2 148.4 -15.0 -18.4 -14.5 47 63 A T > - 0 0 56 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.498 20.7-114.8 -77.7 157.0 -14.0 -20.4 -17.6 48 64 A L H > S+ 0 0 50 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.885 120.4 53.4 -56.7 -38.5 -13.3 -18.5 -20.8 49 65 A E H 4 S+ 0 0 143 2,-0.2 4,-0.2 1,-0.2 -1,-0.2 0.907 107.1 50.0 -62.9 -46.1 -16.4 -20.3 -22.2 50 66 A E H >4 S+ 0 0 6 1,-0.2 3,-1.5 2,-0.2 4,-0.3 0.914 109.5 51.3 -58.5 -43.9 -18.6 -19.2 -19.3 51 67 A L H >X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.3 3,-1.4 0.846 101.7 63.8 -62.1 -32.4 -17.5 -15.5 -19.8 52 68 A Q T 3< S+ 0 0 71 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.449 78.2 81.8 -77.4 -1.2 -18.4 -15.9 -23.5 53 69 A T T <4 S+ 0 0 28 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.750 117.8 12.2 -67.3 -23.2 -22.1 -16.4 -22.7 54 70 A V T <4 S+ 0 0 19 -3,-1.4 -2,-0.2 -4,-0.3 2,-0.2 0.685 125.9 58.0-117.7 -39.5 -22.2 -12.6 -22.4 55 71 A H S < S- 0 0 6 -4,-2.3 66,-0.2 1,-0.1 65,-0.1 -0.578 81.9-101.8-105.3 159.0 -18.9 -11.3 -23.9 56 72 A S > - 0 0 29 64,-1.9 4,-2.4 -2,-0.2 5,-0.2 -0.299 32.1-115.5 -70.4 156.9 -17.1 -11.6 -27.2 57 73 A E H > S+ 0 0 123 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.925 116.4 50.8 -56.7 -46.1 -14.2 -14.0 -27.6 58 74 A A H > S+ 0 0 60 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.927 110.9 48.0 -62.1 -46.1 -11.7 -11.1 -28.2 59 75 A H H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 5,-0.4 0.943 114.3 46.5 -57.0 -49.3 -12.9 -9.3 -25.1 60 76 A T H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.885 113.8 48.1 -63.3 -41.8 -12.6 -12.5 -23.0 61 77 A L H X S+ 0 0 77 -4,-2.9 4,-0.9 -5,-0.2 -1,-0.2 0.913 113.0 48.3 -65.5 -42.8 -9.2 -13.3 -24.3 62 78 A L H < S+ 0 0 73 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.957 127.1 22.6 -62.7 -54.1 -7.8 -9.8 -23.8 63 79 A Y H < S+ 0 0 46 -4,-2.3 23,-0.2 -5,-0.2 -2,-0.2 0.703 121.8 55.6 -91.9 -20.9 -9.0 -9.3 -20.2 64 80 A G H < S+ 0 0 6 -4,-2.1 2,-0.5 -5,-0.4 -3,-0.2 0.551 91.4 82.4 -90.7 -8.9 -9.3 -13.0 -19.1 65 81 A T S < S- 0 0 74 -4,-0.9 18,-0.1 -3,-0.2 17,-0.0 -0.853 78.9-124.1-101.6 130.3 -5.8 -14.2 -19.9 66 82 A N - 0 0 107 -2,-0.5 -2,-0.1 1,-0.1 -3,-0.0 -0.537 14.9-143.5 -64.6 124.1 -2.8 -13.7 -17.6 67 83 A P 0 0 39 0, 0.0 -1,-0.1 0, 0.0 548,-0.1 0.787 360.0 360.0 -61.2 -30.0 -0.0 -11.8 -19.5 68 84 A L 0 0 158 546,-0.1 -2,-0.1 -3,-0.0 0, 0.0 0.485 360.0 360.0-117.5 360.0 2.7 -13.9 -17.8 69 ! 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 70 112 A V 0 0 108 0, 0.0 2,-0.6 0, 0.0 -54,-0.3 0.000 360.0 360.0 360.0 132.1 2.1 -5.7 -7.3 71 113 A D > - 0 0 95 1,-0.2 3,-1.8 -56,-0.1 6,-0.4 -0.695 360.0-154.0 -79.7 117.9 2.4 -1.9 -7.2 72 114 A S T 3 S+ 0 0 28 -2,-0.6 -1,-0.2 1,-0.3 5,-0.1 0.669 91.8 61.9 -70.7 -15.3 -1.2 -0.5 -7.1 73 115 A D T 3 S+ 0 0 53 4,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.391 96.5 77.3 -87.7 2.0 -0.0 2.8 -8.7 74 116 A T S X S- 0 0 49 -3,-1.8 3,-2.4 307,-0.1 4,-0.5 -0.683 96.7-100.8-111.6 166.7 1.1 0.9 -11.9 75 117 A I T >> S+ 0 0 31 1,-0.3 4,-1.3 -2,-0.2 3,-0.6 0.704 115.4 73.0 -55.1 -23.7 -0.7 -0.6 -15.0 76 118 A W H 3> S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.670 84.1 67.5 -70.4 -17.3 -0.3 -4.0 -13.3 77 119 A N H <> S+ 0 0 9 -3,-2.4 4,-2.3 -6,-0.4 -1,-0.2 0.899 102.5 45.8 -60.9 -44.2 -3.0 -3.0 -10.8 78 120 A E H <> S+ 0 0 45 -3,-0.6 4,-2.1 -4,-0.5 -2,-0.2 0.826 109.0 54.1 -70.6 -35.8 -5.5 -3.0 -13.7 79 121 A V H X S+ 0 0 35 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.945 111.9 45.9 -60.0 -46.7 -4.2 -6.4 -15.0 80 122 A H H X S+ 0 0 38 -4,-2.1 4,-3.1 1,-0.2 -2,-0.2 0.895 109.1 54.7 -62.6 -42.3 -4.9 -7.7 -11.5 81 123 A S H X S+ 0 0 8 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.891 107.6 50.4 -59.4 -39.7 -8.3 -6.1 -11.3 82 124 A A H X S+ 0 0 6 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.852 111.6 47.8 -66.0 -36.5 -9.2 -7.9 -14.6 83 125 A G H X S+ 0 0 39 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.893 109.6 53.0 -67.1 -43.6 -8.0 -11.2 -13.1 84 126 A A H X S+ 0 0 2 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.850 106.5 54.6 -56.2 -37.4 -10.1 -10.3 -9.9 85 127 A A H X S+ 0 0 3 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.901 104.7 51.7 -64.7 -45.0 -13.1 -9.8 -12.2 86 128 A R H X S+ 0 0 59 -4,-1.7 -40,-2.2 2,-0.2 4,-1.4 0.884 113.4 45.9 -57.1 -40.1 -12.7 -13.3 -13.8 87 129 A L H X S+ 0 0 14 -4,-1.8 4,-2.4 -42,-0.2 -43,-0.5 0.894 108.2 56.0 -69.2 -44.1 -12.6 -14.7 -10.2 88 130 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 24,-0.2 -2,-0.2 0.876 105.4 52.7 -54.0 -41.8 -15.6 -12.6 -9.1 89 131 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.929 110.9 46.2 -62.9 -46.1 -17.7 -14.1 -12.0 90 132 A G H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.854 110.9 52.9 -64.8 -36.7 -16.8 -17.7 -10.9 91 133 A C H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.916 112.7 44.3 -62.9 -44.3 -17.6 -16.9 -7.3 92 134 A V H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.937 112.8 51.2 -67.8 -46.5 -21.1 -15.5 -8.2 93 135 A V H X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.911 110.2 49.8 -53.5 -48.2 -21.8 -18.5 -10.6 94 136 A E H X S+ 0 0 54 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.910 114.1 44.0 -59.6 -46.7 -20.9 -21.0 -7.8 95 137 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.915 113.2 52.0 -65.0 -44.3 -23.2 -19.3 -5.2 96 138 A V H X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.906 110.4 47.8 -61.5 -43.5 -26.0 -18.9 -7.7 97 139 A F H X S+ 0 0 38 -4,-2.6 4,-1.7 1,-0.2 6,-0.3 0.879 108.6 54.0 -67.4 -36.3 -25.9 -22.6 -8.7 98 140 A K H <>S+ 0 0 51 -4,-1.8 6,-2.4 -5,-0.2 5,-1.3 0.849 114.8 40.9 -67.2 -33.4 -25.9 -23.8 -5.1 99 141 A V H ><5S+ 0 0 3 -4,-1.8 3,-0.8 4,-0.2 -2,-0.2 0.904 113.8 52.2 -76.0 -43.7 -29.0 -21.7 -4.4 100 142 A A H 3<5S+ 0 0 20 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.724 112.9 45.0 -67.3 -24.5 -30.8 -22.6 -7.7 101 143 A T T 3<5S- 0 0 83 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.473 116.5-114.9 -94.0 -8.9 -30.2 -26.4 -7.1 102 144 A G T < 5S+ 0 0 33 -3,-0.8 -3,-0.2 2,-0.3 -4,-0.1 0.531 82.5 123.2 85.9 8.2 -31.3 -26.0 -3.5 103 145 A E S + 0 0 1 12,-0.2 3,-1.5 13,-0.1 12,-0.1 0.603 59.5 94.4-122.9 -20.6 -19.9 -6.2 -13.2 116 158 A H T 3 S+ 0 0 2 1,-0.3 44,-1.7 44,-0.1 45,-1.0 0.620 86.7 50.1 -69.9 -14.3 -23.1 -4.4 -14.2 117 159 A H T 3 S+ 0 0 10 7,-0.2 -1,-0.3 8,-0.2 2,-0.3 0.668 81.4 108.8 -89.6 -19.0 -21.6 -1.8 -16.6 118 160 A A < - 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0 0 0 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 -0.629 29.7-178.2 -85.8 85.4 -20.9 -8.9 -16.0 131 173 A S H > S+ 0 0 6 -2,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.836 78.3 47.4 -50.8 -48.0 -20.9 -11.5 -13.2 132 174 A V H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 112.5 48.8 -66.4 -42.6 -24.7 -11.4 -12.7 133 175 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.911 111.0 50.3 -64.0 -42.7 -25.5 -11.7 -16.4 134 176 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.923 109.1 51.6 -61.7 -45.9 -23.1 -14.6 -16.9 135 177 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.919 112.1 47.8 -52.7 -45.7 -24.7 -16.4 -13.8 136 178 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.887 109.2 51.6 -65.3 -42.3 -28.1 -15.9 -15.5 137 179 A K H X S+ 0 0 34 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.901 111.7 48.0 -61.0 -40.2 -27.0 -17.1 -18.9 138 180 A L H X>S+ 0 0 1 -4,-2.2 4,-3.1 2,-0.2 5,-0.6 0.842 105.7 56.7 -72.9 -36.0 -25.6 -20.3 -17.3 139 181 A L H X5S+ 0 0 0 -4,-2.1 6,-1.6 -5,-0.2 4,-1.3 0.909 113.6 42.7 -56.8 -42.5 -28.8 -20.9 -15.3 140 182 A Q H X5S+ 0 0 39 -4,-1.8 4,-1.0 4,-0.2 -2,-0.2 0.944 120.7 39.2 -66.0 -50.9 -30.6 -20.8 -18.7 141 183 A Q H <5S+ 0 0 127 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.852 128.0 29.7 -74.3 -36.6 -28.1 -22.9 -20.6 142 184 A R H <5S+ 0 0 115 -4,-3.1 -3,-0.2 -5,-0.2 -1,-0.2 0.755 135.4 22.6 -98.3 -28.4 -27.2 -25.5 -17.9 143 185 A L H < + 0 0 0 1,-0.2 4,-2.2 -6,-0.1 5,-0.2 -0.552 36.5 170.5 -82.2 75.5 -26.9 -1.5 -15.2 159 201 A N H > S+ 0 0 8 -2,-1.8 4,-2.2 1,-0.2 -42,-0.2 0.836 72.1 52.7 -58.8 -37.2 -26.3 -0.9 -18.9 160 202 A G H > S+ 0 0 1 -44,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.935 110.0 47.1 -65.0 -46.8 -24.5 -4.2 -19.5 161 203 A T H > S+ 0 0 0 -45,-1.0 4,-1.2 2,-0.2 -2,-0.2 0.918 111.7 51.1 -62.7 -43.6 -27.3 -6.3 -17.9 162 204 A Q H < S+ 0 0 19 -4,-2.2 4,-0.5 -46,-0.2 3,-0.5 0.934 113.0 46.9 -55.3 -49.0 -30.0 -4.4 -19.9 163 205 A Q H >< S+ 0 0 85 -4,-2.2 3,-0.9 1,-0.2 4,-0.3 0.906 106.7 57.4 -57.9 -47.3 -28.0 -5.1 -23.1 164 206 A A H 3< S+ 0 0 21 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.758 123.0 21.8 -59.7 -30.4 -27.4 -8.8 -22.4 165 207 A F T >< S+ 0 0 8 -4,-1.2 3,-1.8 -3,-0.5 -1,-0.2 0.184 82.4 121.0-124.4 16.9 -31.2 -9.6 -22.1 166 208 A Y T < S+ 0 0 59 -3,-0.9 30,-2.0 -4,-0.5 36,-0.2 0.790 86.2 35.5 -61.2 -29.8 -32.9 -6.8 -24.1 167 209 A S T 3 S+ 0 0 73 -4,-0.3 -1,-0.3 28,-0.2 32,-0.3 0.351 99.4 97.4-101.5 6.5 -34.6 -9.2 -26.6 168 210 A D X - 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0 0 10 -4,-1.6 3,-1.4 1,-0.1 4,-0.2 -0.970 57.8-153.5-128.4 126.0 -1.1 11.6 -52.3 703 385 B R G >> S+ 0 0 200 -2,-0.4 3,-1.9 1,-0.3 4,-0.8 0.852 95.8 64.5 -60.8 -38.1 1.0 12.5 -55.3 704 386 B C G 34 S+ 0 0 42 1,-0.3 -1,-0.3 2,-0.2 -5,-0.1 0.698 104.9 46.2 -60.1 -22.1 4.2 11.1 -53.6 705 387 B L G <4 S+ 0 0 20 -3,-1.4 -1,-0.3 -7,-0.2 -2,-0.2 0.362 105.0 62.4-100.4 3.4 2.6 7.6 -53.6 706 388 B Q T <4 S+ 0 0 116 -3,-1.9 -2,-0.2 -4,-0.2 -1,-0.1 0.630 92.4 61.1 -99.4 -19.4 1.5 7.8 -57.3 707 389 B R S < S+ 0 0 89 -4,-0.8 2,-0.3 2,-0.0 -1,-0.1 0.517 106.2 30.3 -88.4 -5.3 4.9 8.2 -59.1 708 390 B T - 0 0 105 -4,-0.1 2,-0.3 -3,-0.1 3,-0.0 -0.838 66.5-115.5-147.4 168.5 6.5 4.9 -57.9 709 391 B T - 0 0 133 -2,-0.3 -3,-0.0 1,-0.1 -2,-0.0 -0.802 56.3 -69.3-110.7 164.3 6.3 1.2 -56.9 710 392 B S + 0 0 50 -2,-0.3 -1,-0.1 1,-0.1 3,-0.0 -0.156 41.2 165.0 -63.2 134.8 7.2 -0.2 -53.5 711 393 B T > + 0 0 54 3,-0.1 3,-1.9 1,-0.0 -1,-0.1 -0.042 42.0 123.3-125.0 27.8 10.7 -0.3 -52.0 712 394 B A T 3 + 0 0 0 1,-0.3 -125,-0.1 -24,-0.1 -126,-0.1 0.694 66.2 64.0 -60.5 -21.5 9.4 -1.0 -48.5 713 395 B G T 3 S+ 0 0 28 -31,-0.1 -1,-0.3 -25,-0.1 2,-0.2 0.451 83.5 97.9 -85.4 -3.0 11.5 -4.2 -48.4 714 396 B R S < S- 0 0 92 -3,-1.9 -33,-0.1 -32,-0.1 -3,-0.1 -0.574 75.2-118.6 -82.2 148.1 14.8 -2.4 -48.6 715 397 B S > - 0 0 2 -2,-0.2 4,-2.6 -35,-0.2 5,-0.2 -0.256 36.5-100.0 -69.0 170.1 17.1 -1.6 -45.6 716 398 B L H > S+ 0 0 47 -37,-0.5 4,-2.1 -38,-0.4 -36,-0.2 0.926 125.6 46.3 -60.5 -44.9 17.9 2.1 -44.9 717 399 B I H > S+ 0 0 43 -38,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.916 111.9 50.9 -65.6 -42.8 21.3 1.8 -46.5 718 400 B E H > S+ 0 0 56 -39,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.898 110.0 50.0 -60.5 -43.5 19.8 -0.1 -49.6 719 401 B A H < S+ 0 0 19 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.903 112.8 47.7 -59.2 -42.4 17.2 2.7 -50.0 720 402 B Q H < S+ 0 0 150 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.941 111.4 50.0 -64.1 -49.9 19.9 5.3 -49.8 721 403 B T H < S+ 0 0 101 -4,-2.9 2,-1.3 1,-0.1 -2,-0.2 0.927 97.9 70.2 -55.4 -51.8 22.2 3.5 -52.3 722 404 B C < 0 0 68 -4,-2.3 -1,-0.1 -5,-0.2 -4,-0.0 -0.567 360.0 360.0 -74.4 95.1 19.4 3.1 -54.9 723 405 B E 0 0 113 -2,-1.3 0, 0.0 0, 0.0 0, 0.0 -0.205 360.0 360.0 134.4 360.0 19.0 6.7 -56.0