==== 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 2VQO . 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, . 717 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27798.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 499 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 11.2 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 6.6 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 . 232 32.4 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 4 2 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 94 0, 0.0 2,-1.6 0, 0.0 37,-0.1 0.000 360.0 360.0 360.0 132.4 2.3 -26.1 48.0 2 8 A F + 0 0 133 101,-0.1 2,-0.2 102,-0.1 101,-0.2 -0.609 360.0 98.7 -79.4 87.4 -0.6 -24.7 46.1 3 9 A T S S- 0 0 10 -2,-1.6 101,-2.1 99,-0.2 102,-0.9 -0.658 77.3 -33.7-149.7-160.4 -0.0 -21.0 47.0 4 10 A T E -a 105 0A 0 32,-0.3 34,-2.6 -2,-0.2 2,-0.3 -0.572 54.5-144.2 -76.7 131.6 1.5 -17.7 45.7 5 11 A G E -ab 106 38A 0 100,-3.6 102,-2.1 -2,-0.3 2,-0.3 -0.651 12.9-168.2 -88.9 148.3 4.5 -18.0 43.5 6 12 A L E -ab 107 39A 0 32,-2.0 34,-2.7 -2,-0.3 2,-0.4 -0.980 2.9-163.1-126.6 147.6 7.5 -15.6 43.4 7 13 A V E +ab 108 40A 0 100,-1.4 102,-2.5 -2,-0.3 2,-0.3 -1.000 21.4 149.5-129.0 137.6 10.3 -15.4 40.8 8 14 A Y - 0 0 29 32,-0.6 34,-0.4 -2,-0.4 2,-0.3 -0.974 17.5-172.3-157.9 149.1 13.6 -13.6 41.4 9 15 A D > - 0 0 38 100,-0.4 3,-1.7 -2,-0.3 4,-0.2 -0.916 22.5-148.4-153.6 127.1 17.2 -13.9 40.2 10 16 A T G > S+ 0 0 90 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.643 93.7 76.0 -70.3 -14.4 20.4 -12.1 41.3 11 17 A L G 3 S+ 0 0 100 1,-0.2 -1,-0.3 72,-0.0 75,-0.1 0.601 88.4 61.8 -69.3 -12.0 21.8 -12.5 37.7 12 18 A M G < S+ 0 0 0 -3,-1.7 -1,-0.2 74,-0.1 -2,-0.2 0.618 81.8 109.1 -82.5 -16.3 19.4 -9.6 36.8 13 19 A L < - 0 0 17 -3,-1.2 70,-0.0 -4,-0.2 -3,-0.0 -0.280 69.8-135.6 -64.9 147.0 21.2 -7.2 39.2 14 20 A K S S+ 0 0 63 1,-0.1 2,-0.8 2,-0.1 -1,-0.1 0.954 89.2 64.7 -67.9 -52.3 23.3 -4.4 37.7 15 21 A H 0 0 169 1,-0.2 -1,-0.1 417,-0.0 -2,-0.1 -0.664 360.0 360.0 -80.2 110.5 26.3 -4.7 40.1 16 22 A Q 0 0 119 -2,-0.8 -1,-0.2 53,-0.3 -2,-0.1 0.463 360.0 360.0-136.2 360.0 28.0 -8.1 39.5 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 35 A A 0 0 98 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.4 20.5 -1.9 46.4 19 36 A G > - 0 0 42 414,-0.0 4,-1.4 272,-0.0 5,-0.1 0.146 360.0 -69.5 -85.2-155.5 18.4 -1.1 43.3 20 37 A R H > S+ 0 0 49 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.953 126.4 39.3 -69.2 -56.5 14.7 -1.7 42.6 21 38 A I H > S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.796 116.3 52.1 -70.8 -27.8 14.2 -5.5 42.4 22 39 A Q H > S+ 0 0 85 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.824 109.6 49.7 -75.0 -34.3 16.7 -6.1 45.3 23 40 A S H X S+ 0 0 23 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.863 112.0 48.4 -68.2 -38.0 14.8 -3.6 47.5 24 41 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.918 111.0 49.7 -68.1 -44.8 11.4 -5.3 46.7 25 42 A W H X S+ 0 0 29 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.914 111.4 49.5 -61.2 -44.4 12.8 -8.7 47.4 26 43 A S H X S+ 0 0 33 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.881 108.2 52.9 -61.8 -43.0 14.2 -7.5 50.8 27 44 A R H X S+ 0 0 55 -4,-2.0 4,-2.1 1,-0.2 6,-0.3 0.912 108.6 50.3 -57.7 -44.6 10.8 -5.9 51.7 28 45 A L H < S+ 0 0 0 -4,-2.1 6,-2.9 2,-0.2 5,-0.4 0.823 113.7 46.6 -64.6 -32.5 9.1 -9.3 51.0 29 46 A Q H >< S+ 0 0 103 -4,-1.5 3,-0.9 4,-0.2 6,-0.2 0.946 113.0 47.2 -70.0 -51.0 11.7 -11.0 53.2 30 47 A E H 3< S+ 0 0 153 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.806 112.3 49.0 -64.8 -35.3 11.5 -8.5 56.1 31 48 A T T 3< S- 0 0 62 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.574 111.8-119.6 -81.3 -12.0 7.7 -8.5 56.2 32 49 A G S <> S+ 0 0 43 -3,-0.9 4,-0.7 -4,-0.4 3,-0.2 0.332 83.0 116.8 90.3 -5.6 7.5 -12.3 56.2 33 50 A L H >> S+ 0 0 17 -5,-0.4 3,-0.8 -6,-0.3 4,-0.8 0.840 70.6 59.5 -64.4 -33.9 5.6 -12.5 53.0 34 51 A R H >4 S+ 0 0 80 -6,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.911 98.3 60.8 -59.9 -41.3 8.4 -14.3 51.3 35 52 A G H 34 S+ 0 0 69 -7,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.764 105.3 46.8 -54.1 -29.9 8.1 -17.0 53.9 36 53 A K H << S+ 0 0 113 -3,-0.8 -32,-0.3 -4,-0.7 -1,-0.2 0.599 104.2 75.6 -92.7 -12.3 4.5 -17.8 52.8 37 54 A C S << S- 0 0 5 -3,-1.1 2,-0.7 -4,-0.8 -32,-0.2 -0.600 80.7-120.2 -97.8 158.6 5.3 -17.9 49.1 38 55 A E E -b 5 0A 88 -34,-2.6 -32,-2.0 -2,-0.2 2,-0.6 -0.883 26.4-151.1 -95.2 108.5 7.0 -20.5 46.9 39 56 A A E -b 6 0A 40 -2,-0.7 -32,-0.2 -34,-0.2 2,-0.2 -0.717 16.1-158.0 -81.7 117.3 10.1 -19.0 45.3 40 57 A I E -b 7 0A 21 -34,-2.7 -32,-0.6 -2,-0.6 2,-0.4 -0.522 18.3-108.2 -94.2 162.8 10.8 -20.7 42.0 41 58 A R - 0 0 204 -2,-0.2 -32,-0.1 -34,-0.1 2,-0.1 -0.769 34.8-149.5 -91.7 132.0 14.0 -20.9 40.0 42 59 A G - 0 0 16 -2,-0.4 2,-0.3 -34,-0.4 48,-0.2 -0.243 10.6-164.6 -89.9-179.3 14.2 -18.8 36.8 43 60 A R - 0 0 74 43,-0.4 46,-0.2 42,-0.1 50,-0.2 -0.979 32.1 -85.6-159.0 158.4 16.0 -19.4 33.5 44 61 A K - 0 0 135 -2,-0.3 42,-0.3 45,-0.2 2,-0.1 -0.451 49.4-115.1 -59.9 140.9 17.1 -17.5 30.4 45 62 A A - 0 0 0 40,-2.3 2,-0.1 -2,-0.1 44,-0.1 -0.485 33.5-112.4 -69.0 150.5 14.4 -17.5 27.7 46 63 A T > - 0 0 55 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.446 21.1-114.9 -79.7 161.9 15.4 -19.4 24.6 47 64 A L H > S+ 0 0 49 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.866 118.2 54.2 -64.1 -35.0 15.9 -17.6 21.3 48 65 A E H 4 S+ 0 0 147 2,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.860 107.2 49.8 -65.7 -40.9 12.9 -19.4 19.9 49 66 A E H >4 S+ 0 0 6 1,-0.2 3,-1.8 2,-0.2 4,-0.3 0.942 109.9 50.2 -62.3 -49.1 10.7 -18.2 22.8 50 67 A L H >X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.3 3,-1.5 0.841 102.7 63.6 -57.3 -33.0 11.8 -14.6 22.3 51 68 A Q T 3< S+ 0 0 71 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.501 79.7 80.3 -75.8 -3.8 11.0 -15.0 18.6 52 69 A T T <4 S+ 0 0 29 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.747 117.8 12.7 -65.3 -24.2 7.3 -15.5 19.3 53 70 A V T <4 S+ 0 0 20 -3,-1.5 -2,-0.2 -4,-0.3 2,-0.2 0.704 126.1 53.9-116.3 -46.2 7.2 -11.7 19.7 54 71 A H S < S- 0 0 5 -4,-2.5 66,-0.2 1,-0.1 65,-0.1 -0.477 83.4 -97.9-100.8 165.0 10.5 -10.3 18.3 55 72 A S > - 0 0 28 64,-1.9 4,-2.4 -2,-0.2 5,-0.2 -0.313 30.4-116.9 -74.8 160.8 12.3 -10.7 15.0 56 73 A E H > S+ 0 0 120 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.902 116.9 52.2 -62.1 -41.0 15.2 -13.1 14.5 57 74 A A H > S+ 0 0 57 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.869 111.7 44.8 -65.3 -41.0 17.6 -10.2 13.9 58 75 A H H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 5,-0.4 0.936 115.9 46.8 -65.7 -48.6 16.5 -8.4 17.1 59 76 A T H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.886 113.1 48.9 -63.1 -42.1 16.7 -11.6 19.2 60 77 A L H X S+ 0 0 82 -4,-2.9 4,-1.3 -5,-0.2 -1,-0.2 0.930 114.3 45.6 -63.1 -46.4 20.1 -12.5 17.7 61 78 A L H < S+ 0 0 79 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.969 128.2 23.8 -61.9 -57.1 21.6 -9.1 18.3 62 79 A Y H < S+ 0 0 48 -4,-2.5 23,-0.2 1,-0.2 -3,-0.2 0.724 123.0 53.5 -87.0 -22.3 20.3 -8.5 21.9 63 80 A G H < S+ 0 0 8 -4,-2.2 2,-0.4 -5,-0.4 -3,-0.2 0.728 93.9 77.8 -84.9 -24.2 19.9 -12.1 22.9 64 81 A T S < S- 0 0 71 -4,-1.3 18,-0.0 -5,-0.3 -4,-0.0 -0.712 79.2-124.6 -93.3 136.0 23.4 -13.5 22.1 65 82 A N - 0 0 114 -2,-0.4 -2,-0.1 1,-0.1 -3,-0.0 -0.630 9.3-148.6 -75.5 129.6 26.4 -12.9 24.3 66 83 A P 0 0 45 0, 0.0 -1,-0.1 0, 0.0 548,-0.1 0.729 360.0 360.0 -66.3 -23.6 29.4 -11.2 22.4 67 84 A L 0 0 170 546,-0.1 -2,-0.1 -3,-0.0 0, 0.0 0.546 360.0 360.0-111.5 360.0 31.9 -13.0 24.6 68 ! 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 69 112 A V 0 0 120 0, 0.0 2,-0.4 0, 0.0 -53,-0.3 0.000 360.0 360.0 360.0 115.2 31.4 -4.5 34.7 70 113 A D > - 0 0 94 1,-0.2 3,-1.4 -55,-0.1 6,-0.3 -0.562 360.0-147.9 -69.2 124.3 31.6 -0.8 35.0 71 114 A S T 3 S+ 0 0 26 -2,-0.4 -1,-0.2 1,-0.3 5,-0.1 0.655 94.7 64.2 -70.4 -14.3 28.0 0.6 35.0 72 115 A D T 3 S+ 0 0 53 4,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.168 95.3 73.7 -94.8 16.1 29.3 3.8 33.3 73 116 A T S X S- 0 0 55 -3,-1.4 3,-1.4 308,-0.1 4,-0.5 -0.705 97.1 -98.5-120.0 175.0 30.4 1.9 30.1 74 117 A I T >> S+ 0 0 32 1,-0.3 4,-1.4 -2,-0.2 3,-0.6 0.713 115.8 72.0 -64.0 -22.4 28.6 0.2 27.1 75 118 A W H 3> S+ 0 0 73 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.668 85.5 66.5 -72.2 -17.7 28.9 -3.2 28.9 76 119 A N H <> S+ 0 0 9 -3,-1.4 4,-2.1 -6,-0.3 -1,-0.2 0.896 104.3 44.2 -60.0 -44.4 26.3 -2.0 31.3 77 120 A E H <> S+ 0 0 49 -3,-0.6 4,-1.6 -4,-0.5 -2,-0.2 0.799 110.1 54.7 -73.6 -32.0 23.8 -2.0 28.4 78 121 A V H X S+ 0 0 38 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.904 110.9 46.3 -64.6 -42.9 25.1 -5.4 27.1 79 122 A H H X S+ 0 0 35 -4,-1.8 4,-3.3 2,-0.2 -2,-0.2 0.912 108.5 55.2 -66.1 -44.5 24.4 -6.8 30.6 80 123 A S H X S+ 0 0 6 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.865 106.8 51.1 -54.4 -40.1 20.9 -5.2 30.8 81 124 A A H X S+ 0 0 6 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.858 111.3 48.4 -66.3 -36.4 20.1 -7.0 27.5 82 125 A G H X S+ 0 0 39 -4,-1.5 4,-1.8 2,-0.2 3,-0.3 0.938 109.3 51.8 -64.7 -49.0 21.3 -10.2 29.1 83 126 A A H X S+ 0 0 1 -4,-3.3 4,-2.5 1,-0.2 28,-0.2 0.842 107.0 55.3 -53.8 -37.1 19.2 -9.5 32.2 84 127 A A H X S+ 0 0 2 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.870 104.2 51.8 -65.8 -41.5 16.2 -9.0 29.9 85 128 A R H X S+ 0 0 57 -4,-1.5 -40,-2.3 -3,-0.3 4,-1.0 0.875 114.1 45.0 -60.4 -39.2 16.6 -12.4 28.3 86 129 A L H X S+ 0 0 12 -4,-1.8 4,-2.0 -42,-0.3 -43,-0.4 0.849 107.1 57.8 -72.6 -38.7 16.6 -13.8 31.9 87 130 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.872 104.4 53.1 -60.0 -37.0 13.7 -11.7 32.9 88 131 A V H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.872 109.3 47.5 -67.3 -38.2 11.6 -13.3 30.2 89 132 A G H X S+ 0 0 0 -4,-1.0 4,-1.8 -46,-0.2 -1,-0.2 0.792 109.4 53.4 -75.8 -31.3 12.4 -16.8 31.3 90 133 A C H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.887 113.4 43.6 -61.7 -43.7 11.6 -16.0 34.9 91 134 A V H X S+ 0 0 2 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.923 112.7 51.1 -71.0 -46.7 8.2 -14.7 33.8 92 135 A V H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.920 110.9 50.0 -53.8 -45.9 7.5 -17.6 31.4 93 136 A E H X S+ 0 0 44 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.871 113.2 44.3 -64.1 -40.7 8.3 -20.1 34.2 94 137 A L H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 5,-0.2 0.912 112.5 52.7 -70.3 -43.0 6.0 -18.5 36.8 95 138 A V H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.918 110.9 46.9 -58.6 -45.4 3.2 -18.0 34.2 96 139 A F H X S+ 0 0 37 -4,-2.4 4,-1.7 2,-0.2 6,-0.3 0.877 109.4 52.9 -68.0 -38.3 3.3 -21.7 33.3 97 140 A K H <>S+ 0 0 48 -4,-1.7 6,-2.3 2,-0.2 5,-1.1 0.860 115.5 41.0 -64.9 -36.2 3.4 -23.0 36.9 98 141 A V H ><5S+ 0 0 1 -4,-1.9 3,-0.8 4,-0.2 -2,-0.2 0.888 114.5 52.5 -74.0 -41.0 0.3 -20.9 37.8 99 142 A A H 3<5S+ 0 0 20 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.739 110.0 47.6 -69.0 -26.7 -1.4 -21.8 34.4 100 143 A T T 3<5S- 0 0 85 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.521 118.0-110.4 -91.0 -7.5 -0.9 -25.6 35.0 101 144 A G T < 5S+ 0 0 35 -3,-0.8 -3,-0.2 2,-0.3 -2,-0.1 0.403 87.0 120.2 92.0 -0.1 -2.2 -25.4 38.6 102 145 A E S + 0 0 1 12,-0.2 3,-1.5 13,-0.1 172,-0.1 0.624 59.7 93.0-128.0 -19.0 9.3 -5.2 28.8 115 158 A H T 3 S+ 0 0 2 1,-0.3 44,-2.0 44,-0.1 45,-0.8 0.615 86.9 52.8 -73.2 -12.5 6.1 -3.5 27.7 116 159 A H T 3 S+ 0 0 10 7,-0.2 2,-0.3 8,-0.2 -1,-0.3 0.656 82.1 109.1 -88.6 -16.7 7.7 -0.8 25.5 117 160 A A < - 0 0 1 -3,-1.5 10,-0.1 7,-0.1 2,-0.1 -0.439 53.6-162.5 -69.0 122.1 9.7 -3.3 23.4 118 161 A E B > -H 121 0B 52 3,-2.5 3,-0.6 -2,-0.3 11,-0.1 -0.340 39.3 -77.9 -97.1 179.0 8.3 -3.7 19.9 119 162 A E T 3 S- 0 0 106 1,-0.3 -64,-1.9 -65,-0.1 -61,-0.1 0.869 123.5 -3.7 -47.2 -51.9 8.9 -6.4 17.3 120 163 A S T 3 S+ 0 0 71 -66,-0.2 -1,-0.3 -62,-0.1 -66,-0.1 -0.035 120.5 84.3-134.7 32.8 12.4 -5.2 16.2 121 164 A T B < -H 118 0B 66 -3,-0.6 -3,-2.5 6,-0.1 2,-0.3 -0.946 57.4-156.1-139.6 114.1 12.8 -2.0 18.3 122 165 A P + 0 0 38 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.700 31.8 151.2 -82.5 144.2 14.0 -1.8 21.9 123 166 A M B > +I 126 0C 52 3,-1.3 3,-2.1 -2,-0.3 -7,-0.2 -0.982 42.9 32.2-165.9 162.6 12.8 1.3 23.7 124 167 A G T 3 S- 0 0 20 -2,-0.3 -8,-0.2 1,-0.3 -7,-0.1 0.873 129.8 -55.0 49.9 45.7 12.0 2.8 27.1 125 168 A F T 3 S+ 0 0 108 1,-0.2 2,-0.4 -9,-0.1 -1,-0.3 0.492 112.9 124.1 71.0 5.6 14.5 0.6 28.9 126 169 A C B < +I 123 0C 2 -3,-2.1 -3,-1.3 1,-0.2 -1,-0.2 -0.840 28.3 164.0-106.8 131.3 12.9 -2.5 27.3 127 170 A Y S S+ 0 0 33 -14,-0.5 2,-0.4 -2,-0.4 -1,-0.2 0.779 74.7 18.4-104.9 -48.6 14.7 -5.1 25.2 128 171 A F S S- 0 0 1 -15,-0.3 2,-1.4 -16,-0.1 -1,-0.4 -0.989 74.2-125.2-130.3 137.6 12.2 -8.0 25.2 129 172 A N > - 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0 0 72 -3,-0.9 35,-0.4 -4,-0.6 36,-0.1 -0.617 61.7-140.5 -79.8 128.3 47.8 -3.8 0.3 681 364 B R - 0 0 160 -2,-0.4 33,-0.2 33,-0.2 32,-0.1 -0.674 32.4-103.9 -77.7 139.4 45.0 -4.4 -2.3 682 365 B P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.354 42.6 -98.3 -64.1 146.9 41.5 -4.0 -0.7 683 366 B N > - 0 0 20 -109,-0.1 4,-2.4 1,-0.1 3,-0.2 -0.148 32.4-107.6 -64.4 160.5 39.6 -7.3 -0.0 684 367 B A H > S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.820 117.8 54.4 -62.3 -37.7 37.0 -8.6 -2.5 685 368 B N H > S+ 0 0 28 -113,-0.2 4,-2.0 2,-0.2 -117,-0.4 0.900 110.9 47.3 -63.2 -40.8 34.0 -7.8 -0.3 686 369 B A H > S+ 0 0 0 -3,-0.2 4,-2.8 2,-0.2 5,-0.2 0.933 111.2 50.0 -63.3 -48.2 35.2 -4.2 -0.1 687 370 B V H X S+ 0 0 24 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.907 111.8 49.1 -57.9 -43.8 35.8 -4.0 -3.9 688 371 B R H X S+ 0 0 153 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.898 112.2 48.9 -59.6 -43.3 32.3 -5.3 -4.4 689 372 B S H X S+ 0 0 8 -4,-2.0 4,-1.7 -121,-0.2 -2,-0.2 0.893 112.9 45.7 -66.0 -43.8 30.9 -2.8 -2.0 690 373 B M H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.894 112.3 51.2 -65.4 -42.6 32.7 0.2 -3.6 691 374 B E H X S+ 0 0 81 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.883 108.7 51.4 -65.9 -39.5 31.7 -0.9 -7.1 692 375 B K H X S+ 0 0 96 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.905 112.8 45.4 -60.8 -44.9 28.0 -1.2 -6.2 693 376 B V H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.910 113.4 49.6 -66.0 -44.9 28.0 2.3 -4.7 694 377 B M H X S+ 0 0 24 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.916 108.4 53.6 -59.0 -46.6 29.9 3.8 -7.7 695 378 B E H >< S+ 0 0 149 -4,-2.5 3,-0.7 1,-0.2 4,-0.4 0.952 111.3 46.0 -52.3 -53.9 27.5 2.2 -10.1 696 379 B I H >< S+ 0 0 41 -4,-1.9 3,-0.9 1,-0.2 -1,-0.2 0.898 115.7 44.0 -55.3 -48.5 24.5 3.7 -8.4 697 380 B H H >X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 3,-1.2 0.461 88.9 83.0 -88.1 -1.6 26.0 7.2 -8.1 698 381 B S T << S+ 0 0 41 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.1 0.680 84.0 67.7 -67.6 -18.1 27.4 7.4 -11.6 699 382 B K T <4 S+ 0 0 153 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.706 115.0 23.7 -67.8 -23.1 23.8 8.4 -12.4 700 383 B Y T <4 S+ 0 0 77 -3,-1.2 2,-0.4 1,-0.2 -2,-0.2 0.449 113.1 66.7-124.7 -5.9 24.3 11.7 -10.5 701 384 B W >< - 0 0 11 -4,-1.2 3,-1.7 1,-0.1 4,-0.5 -0.966 56.2-154.3-133.9 121.9 28.1 12.5 -10.4 702 385 B R G >> S+ 0 0 173 -2,-0.4 3,-1.1 1,-0.3 4,-1.0 0.823 95.0 64.8 -58.4 -37.2 30.4 13.4 -13.4 703 386 B C G 34 S+ 0 0 42 1,-0.2 -1,-0.3 2,-0.2 -5,-0.1 0.688 106.4 44.4 -61.3 -19.6 33.5 12.1 -11.6 704 387 B L G <4 S+ 0 0 20 -3,-1.7 -1,-0.2 -7,-0.2 -2,-0.2 0.468 105.5 60.7-103.7 -6.0 32.0 8.5 -11.8 705 388 B Q T <4 S+ 0 0 119 -3,-1.1 -2,-0.2 -4,-0.5 -3,-0.1 0.695 93.1 65.3 -88.4 -22.7 30.7 8.7 -15.4 706 389 B R S < S+ 0 0 84 -4,-1.0 2,-0.2 2,-0.0 -1,-0.1 0.577 106.7 17.8 -81.2 -11.1 34.1 9.2 -17.0 707 390 B T - 0 0 107 -3,-0.2 2,-0.2 -4,-0.1 3,-0.0 -0.808 68.9-106.2-148.3 176.5 35.8 5.9 -16.1 708 391 B T - 0 0 129 -2,-0.2 -3,-0.0 1,-0.1 -2,-0.0 -0.726 59.2 -62.9-109.6 169.3 35.5 2.2 -15.0 709 392 B S + 0 0 53 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.198 42.6 165.0 -60.7 132.2 36.4 0.7 -11.6 710 393 B T > + 0 0 56 3,-0.1 3,-1.9 1,-0.0 -1,-0.1 0.043 44.0 119.3-120.6 20.1 40.0 0.9 -10.2 711 394 B A T 3 + 0 0 0 1,-0.3 -125,-0.1 -24,-0.1 -126,-0.1 0.686 64.5 63.7 -62.3 -21.9 38.7 -0.0 -6.7 712 395 B G T 3 S+ 0 0 29 -31,-0.1 -1,-0.3 -25,-0.1 2,-0.2 0.508 83.6 98.9 -81.8 -6.8 40.8 -3.2 -6.6 713 396 B R S < S- 0 0 94 -3,-1.9 -33,-0.1 -32,-0.1 -3,-0.1 -0.484 74.5-119.8 -79.9 150.2 44.2 -1.4 -6.8 714 397 B S > - 0 0 4 -33,-0.2 4,-2.3 -2,-0.2 -33,-0.2 -0.269 36.3-102.4 -69.9 172.3 46.4 -0.7 -3.8 715 398 B L H > S+ 0 0 53 -37,-0.5 4,-2.3 -35,-0.4 -36,-0.2 0.920 123.4 47.8 -66.0 -44.5 47.2 3.0 -3.1 716 399 B I H > S+ 0 0 42 -38,-1.9 4,-3.2 2,-0.2 5,-0.2 0.933 113.2 47.6 -61.5 -47.2 50.7 2.8 -4.7 717 400 B E H > S+ 0 0 60 -39,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.896 111.0 52.1 -60.2 -41.9 49.3 0.9 -7.7 718 401 B A H < S+ 0 0 22 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.892 113.5 44.3 -59.8 -42.4 46.6 3.6 -8.0 719 402 B Q H < S+ 0 0 148 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.926 110.0 54.4 -66.2 -49.2 49.2 6.3 -7.9 720 403 B T H < S+ 0 0 104 -4,-3.2 2,-1.7 1,-0.3 -2,-0.2 0.880 102.0 59.8 -55.0 -43.4 51.6 4.5 -10.4 721 404 B C < 0 0 80 -4,-2.2 -1,-0.3 -5,-0.2 -4,-0.0 -0.515 360.0 360.0 -84.9 68.7 48.8 4.3 -12.9 722 405 B E 0 0 110 -2,-1.7 -3,-0.0 -3,-0.2 -4,-0.0 -0.983 360.0 360.0 179.1 360.0 48.3 8.1 -13.1