==== 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 2VQJ . 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, . 402 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17672.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 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 0.2 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 0.2 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 . 23 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 1 2 1 2 2 0 1 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 2 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 98 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.4 10.1 96.6 4.3 2 7 A R + 0 0 187 1,-0.2 2,-1.8 2,-0.1 140,-0.2 0.770 360.0 72.8 -94.8 -28.2 12.1 93.4 4.0 3 8 A F S S+ 0 0 129 138,-0.1 2,-0.2 139,-0.1 -1,-0.2 -0.662 88.1 93.0 -79.9 82.2 15.6 94.8 5.0 4 9 A T S S- 0 0 21 -2,-1.8 138,-1.8 136,-0.2 139,-1.1 -0.721 84.6 -34.6-152.6-164.0 14.5 95.2 8.6 5 10 A T E -a 143 0A 0 43,-0.3 45,-2.8 -2,-0.2 2,-0.3 -0.542 55.3-148.4 -74.6 129.9 14.5 93.3 11.9 6 11 A G E -ab 144 50A 0 137,-3.3 139,-2.1 -2,-0.3 2,-0.4 -0.719 9.2-162.8 -94.5 147.9 14.1 89.5 11.6 7 12 A L E -ab 145 51A 0 43,-2.0 45,-3.2 -2,-0.3 2,-0.4 -0.988 0.8-162.9-126.8 141.2 12.4 87.3 14.2 8 13 A V E +ab 146 52A 1 137,-1.6 139,-2.5 -2,-0.4 2,-0.3 -0.975 22.6 143.3-121.6 148.6 12.6 83.5 14.7 9 14 A Y E - b 0 53A 26 43,-0.6 45,-0.5 -2,-0.4 2,-0.3 -0.941 23.3-162.0-170.6 154.6 10.2 81.3 16.6 10 15 A D > - 0 0 33 137,-0.4 3,-2.1 -2,-0.3 4,-0.3 -0.883 19.3-146.4-155.6 122.5 8.8 77.9 16.2 11 16 A T G > S+ 0 0 51 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.732 97.7 71.0 -55.6 -27.5 5.8 76.3 17.9 12 17 A L G 3 S+ 0 0 128 1,-0.3 -1,-0.3 -3,-0.1 112,-0.1 0.448 85.9 66.1 -75.1 -1.8 7.5 72.9 17.9 13 18 A M G < S+ 0 0 0 -3,-2.1 -1,-0.3 111,-0.1 2,-0.2 0.610 89.4 90.9 -82.1 -17.8 9.9 74.3 20.6 14 19 A L < - 0 0 19 -3,-1.6 3,-0.2 -4,-0.3 93,-0.1 -0.554 68.0-149.7 -87.3 142.0 6.9 74.4 23.0 15 20 A K S S+ 0 0 47 1,-0.3 92,-2.4 -2,-0.2 2,-0.4 0.946 91.6 10.0 -63.0 -52.0 5.7 71.7 25.3 16 21 A H - 0 0 22 90,-0.2 2,-0.6 -3,-0.1 15,-0.3 -0.994 65.8-154.3-137.7 130.5 2.1 73.0 24.9 17 22 A Q + 0 0 109 88,-0.5 2,-0.4 -2,-0.4 88,-0.2 -0.916 21.5 173.0-103.7 119.7 0.6 75.5 22.5 18 23 A C > - 0 0 15 -2,-0.6 3,-1.0 86,-0.1 2,-0.2 -0.994 29.4-131.9-126.9 132.5 -2.6 77.2 23.8 19 24 A T T 3 S+ 0 0 136 -2,-0.4 85,-0.1 1,-0.2 -2,-0.0 -0.612 100.3 26.7 -75.9 143.7 -4.6 80.1 22.2 20 25 A C T 3 S+ 0 0 107 -2,-0.2 -1,-0.2 3,-0.1 4,-0.1 0.676 83.3 139.8 68.7 22.7 -5.4 82.8 24.8 21 26 A G < + 0 0 9 -3,-1.0 -2,-0.1 1,-0.2 14,-0.1 0.930 63.0 56.2 -60.0 -50.2 -2.3 81.6 26.7 22 27 A S S S- 0 0 83 -4,-0.2 -1,-0.2 12,-0.1 -3,-0.0 0.867 94.6-175.3 -49.6 -46.4 -1.1 85.1 27.6 23 28 A S - 0 0 40 1,-0.1 -2,-0.1 -3,-0.1 -3,-0.1 0.395 30.1-151.0 68.3 159.9 -4.5 85.7 29.3 24 29 A S S S+ 0 0 123 -4,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.263 78.6 48.6-164.8 63.4 -6.0 88.8 30.9 25 30 A S S S- 0 0 100 2,-0.2 -2,-0.0 0, 0.0 0, 0.0 0.185 118.8 -46.6-166.3 -56.7 -8.5 87.8 33.7 26 31 A H S S+ 0 0 183 1,-0.2 0, 0.0 2,-0.1 0, 0.0 0.251 91.4 98.1-156.3 -62.7 -7.1 85.1 36.0 27 32 A P - 0 0 83 0, 0.0 -2,-0.2 0, 0.0 -1,-0.2 -0.043 41.4-167.7 -60.0 144.2 -5.2 82.0 34.7 28 33 A E + 0 0 132 -5,-0.0 -2,-0.1 0, 0.0 0, 0.0 0.251 41.3 98.0 -94.4-138.2 -1.4 81.7 34.6 29 34 A H + 0 0 84 1,-0.1 0, 0.0 -2,-0.0 0, 0.0 0.088 35.4 104.7 69.0 169.3 0.3 78.9 32.6 30 35 A A - 0 0 16 4,-0.0 -1,-0.1 -13,-0.0 -13,-0.1 0.624 68.8-109.0 78.2 120.0 1.8 79.2 29.1 31 36 A G > - 0 0 41 -15,-0.3 4,-1.1 4,-0.0 5,-0.1 0.401 28.4 -80.6 -78.4-159.5 5.6 79.4 29.0 32 37 A R H > S+ 0 0 51 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.967 118.4 39.1 -70.6 -58.7 8.3 82.0 28.4 33 38 A I H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.813 114.3 53.6 -69.6 -31.5 8.7 82.1 24.6 34 39 A Q H > S+ 0 0 16 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.880 110.3 49.2 -68.3 -37.1 4.9 81.8 23.8 35 40 A S H X S+ 0 0 12 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.865 111.8 47.7 -68.3 -38.2 4.4 84.8 26.1 36 41 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.931 110.7 51.0 -68.6 -47.9 7.2 86.8 24.4 37 42 A W H X S+ 0 0 28 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.874 110.3 51.0 -54.5 -40.2 5.9 86.1 20.9 38 43 A S H X S+ 0 0 35 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.881 109.9 48.7 -68.4 -39.6 2.4 87.2 22.1 39 44 A R H X S+ 0 0 58 -4,-1.8 4,-1.4 1,-0.2 6,-0.3 0.869 106.9 55.4 -65.1 -38.6 3.8 90.5 23.4 40 45 A L H <>S+ 0 0 0 -4,-2.4 6,-2.6 2,-0.2 5,-0.8 0.790 112.7 45.9 -64.4 -25.0 5.7 91.1 20.2 41 46 A Q H ><5S+ 0 0 88 -4,-1.0 3,-1.5 -5,-0.2 6,-0.2 0.965 110.6 46.4 -82.3 -58.7 2.3 90.7 18.4 42 47 A E H 3<5S+ 0 0 137 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.1 0.674 114.8 49.9 -60.8 -20.2 -0.1 92.9 20.6 43 48 A T T 3<5S- 0 0 49 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.624 112.1-128.8 -85.4 -17.2 2.6 95.6 20.5 44 49 A G T <>5S+ 0 0 37 -3,-1.5 4,-1.0 -5,-0.2 3,-0.3 0.481 73.2 125.2 83.9 5.8 2.7 95.1 16.7 45 50 A L H >< + 0 0 15 -5,-0.8 4,-0.9 -6,-0.3 3,-0.5 0.871 69.9 56.8 -65.9 -37.4 6.5 94.8 16.7 46 51 A R H 4 S+ 0 0 82 -6,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.857 100.5 59.5 -59.4 -37.0 6.2 91.4 14.9 47 52 A G H 4 S+ 0 0 63 -7,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.840 106.8 45.6 -59.7 -36.6 4.2 93.2 12.1 48 53 A K H < S+ 0 0 132 -4,-1.0 -43,-0.3 -3,-0.5 -1,-0.2 0.641 108.1 76.0 -79.0 -16.7 7.2 95.5 11.5 49 54 A C S < S- 0 0 4 -4,-0.9 2,-0.7 -3,-0.5 -43,-0.2 -0.540 85.4-116.3 -95.4 159.8 9.6 92.6 11.6 50 55 A E E -b 6 0A 62 -45,-2.8 -43,-2.0 -2,-0.2 2,-0.5 -0.878 29.4-139.2 -93.5 109.8 10.3 89.9 9.0 51 56 A C E -b 7 0A 51 -2,-0.7 2,-0.3 -45,-0.2 -43,-0.2 -0.595 19.7-156.1 -71.6 121.6 9.2 86.5 10.5 52 57 A I E -b 8 0A 12 -45,-3.2 -43,-0.6 -2,-0.5 2,-0.5 -0.766 13.4-123.8-101.8 142.0 11.8 83.9 9.5 53 58 A R E -b 9 0A 227 -2,-0.3 -43,-0.1 -45,-0.1 2,-0.1 -0.765 29.7-153.4 -88.2 129.0 11.1 80.1 9.3 54 59 A G - 0 0 18 -45,-0.5 2,-0.3 -2,-0.5 74,-0.1 -0.211 12.0-173.3 -91.9-175.8 13.3 78.0 11.5 55 60 A R - 0 0 71 69,-0.5 73,-0.3 68,-0.1 72,-0.2 -0.967 35.1 -72.3-165.7 169.1 14.5 74.4 11.3 56 61 A K - 0 0 140 -2,-0.3 68,-0.3 71,-0.2 2,-0.1 -0.490 49.9-115.2 -68.6 141.2 16.4 71.7 13.1 57 62 A A - 0 0 0 66,-2.4 2,-0.1 -2,-0.2 70,-0.1 -0.491 35.0-114.3 -64.7 149.6 20.2 72.1 13.3 58 63 A T > - 0 0 58 -2,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.500 22.3-114.9 -77.9 160.9 21.9 69.3 11.3 59 64 A L H > S+ 0 0 44 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.771 119.2 55.6 -66.3 -27.7 23.9 66.9 13.4 60 65 A E H 4 S+ 0 0 137 2,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.875 105.7 51.4 -70.0 -38.3 27.0 68.2 11.5 61 66 A E H >4 S+ 0 0 4 1,-0.2 3,-1.8 2,-0.2 4,-0.4 0.929 107.8 51.5 -63.0 -46.6 26.2 71.8 12.6 62 67 A L H >X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.3 3,-1.3 0.837 102.4 61.7 -60.1 -34.1 25.8 70.8 16.3 63 68 A Q T 3< S+ 0 0 73 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.437 79.3 82.4 -79.0 1.0 29.3 69.1 16.1 64 69 A T T <4 S+ 0 0 28 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.871 118.1 11.5 -61.9 -33.7 30.9 72.5 15.2 65 70 A V T <4 S+ 0 0 16 -3,-1.3 -2,-0.2 -4,-0.4 2,-0.2 0.779 127.5 52.0-109.9 -40.5 30.8 72.9 19.0 66 71 A H S < S- 0 0 5 -4,-2.5 92,-0.2 1,-0.1 91,-0.1 -0.508 84.4 -94.2-106.7 166.3 29.8 69.6 20.6 67 72 A S > - 0 0 27 90,-2.1 4,-2.4 -2,-0.2 5,-0.2 -0.387 30.5-118.4 -74.1 154.3 31.1 66.0 20.4 68 73 A E H > S+ 0 0 126 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.931 117.3 51.8 -51.6 -48.4 29.7 63.4 18.0 69 74 A A H > S+ 0 0 73 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.907 110.5 46.7 -60.0 -46.3 28.7 61.3 21.1 70 75 A H H > S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 5,-0.4 0.919 113.7 49.4 -57.8 -46.0 26.9 64.3 22.8 71 76 A T H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 5,-0.4 0.889 110.0 49.2 -67.7 -40.6 25.1 65.2 19.6 72 77 A L H X S+ 0 0 67 -4,-2.7 4,-1.0 3,-0.2 -1,-0.2 0.882 112.6 48.3 -65.0 -39.0 23.9 61.6 18.9 73 78 A L H < S+ 0 0 93 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.1 0.978 127.4 21.4 -66.8 -57.7 22.5 61.1 22.4 74 79 A Y H < S+ 0 0 70 -4,-2.1 49,-0.2 -5,-0.2 -2,-0.2 0.731 124.2 53.9 -87.1 -23.1 20.6 64.4 22.8 75 80 A G H < S+ 0 0 7 -4,-2.1 -3,-0.2 -5,-0.4 2,-0.2 0.844 93.7 70.4 -83.0 -37.0 20.1 65.3 19.1 76 81 A T S < S- 0 0 41 -4,-1.0 43,-0.0 -5,-0.4 44,-0.0 -0.512 90.9-102.7 -87.5 149.4 18.5 62.1 17.6 77 82 A N > - 0 0 86 -2,-0.2 3,-0.9 1,-0.1 4,-0.3 -0.563 27.4-143.3 -69.5 129.6 14.9 61.0 18.3 78 83 A P G > S+ 0 0 32 0, 0.0 3,-1.0 0, 0.0 4,-0.2 0.745 92.9 66.2 -70.7 -23.9 15.2 58.1 20.8 79 84 A L G > S+ 0 0 35 1,-0.2 3,-1.0 2,-0.2 -2,-0.0 0.738 89.8 67.1 -68.5 -24.7 12.3 56.0 19.3 80 85 A N G < S+ 0 0 137 -3,-0.9 3,-0.5 1,-0.2 -1,-0.2 0.722 96.7 54.3 -67.7 -23.3 14.3 55.5 16.1 81 86 A R G < S+ 0 0 144 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.504 94.4 70.1 -86.9 -5.5 16.8 53.3 18.0 82 87 A Q S < S- 0 0 113 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.1 0.071 108.6-109.1-102.3 24.3 14.2 50.9 19.4 83 88 A K - 0 0 173 -3,-0.5 -2,-0.1 1,-0.0 -3,-0.1 0.919 51.1 -77.2 38.4 104.0 13.3 49.2 16.0 84 89 A L + 0 0 158 -4,-0.2 2,-0.1 1,-0.1 -4,-0.1 0.214 59.8 175.7 -21.1 122.1 9.8 50.3 14.9 85 90 A D - 0 0 97 1,-0.1 -1,-0.1 2,-0.0 -2,-0.0 -0.343 24.7-149.3-113.1-163.7 6.9 48.6 16.8 86 91 A S S > S+ 0 0 96 -2,-0.1 4,-1.7 3,-0.0 -1,-0.1 0.434 91.7 31.9-133.8 -54.4 3.1 49.1 16.7 87 92 A K H > S+ 0 0 184 2,-0.2 4,-1.2 1,-0.2 5,-0.0 0.876 128.4 40.5 -75.4 -41.6 1.6 48.3 20.1 88 93 A K H > S+ 0 0 52 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.846 115.5 53.1 -71.7 -36.0 4.6 49.5 22.1 89 94 A L H > S+ 0 0 71 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.877 110.2 47.0 -65.3 -40.3 5.0 52.5 19.7 90 95 A L H X S+ 0 0 124 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.793 107.3 59.0 -70.2 -30.5 1.4 53.5 20.3 91 96 A G H X S+ 0 0 44 -4,-1.2 4,-0.6 1,-0.2 -2,-0.2 0.843 102.3 51.5 -68.3 -37.2 1.9 53.1 24.0 92 97 A S H >X S+ 0 0 29 -4,-1.4 4,-1.9 1,-0.2 3,-0.6 0.874 106.1 55.5 -65.4 -39.3 4.7 55.7 24.2 93 98 A L H 3X S+ 0 0 76 -4,-1.1 4,-1.5 1,-0.3 -1,-0.2 0.794 103.7 54.0 -66.9 -30.7 2.6 58.3 22.3 94 99 A A H 3< S+ 0 0 80 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.695 111.8 46.4 -73.6 -21.1 -0.2 58.0 24.9 95 100 A S H << S+ 0 0 53 -4,-0.6 -2,-0.2 -3,-0.6 13,-0.2 0.755 107.1 57.2 -87.9 -32.0 2.4 58.7 27.6 96 101 A V H < S+ 0 0 21 -4,-1.9 12,-3.5 11,-0.1 -2,-0.2 0.948 106.5 52.5 -61.5 -51.0 3.9 61.7 25.7 97 102 A F E < +H 107 0B 104 -4,-1.5 2,-0.3 10,-0.2 10,-0.2 -0.458 60.2 176.2 -92.7 159.3 0.7 63.6 25.5 98 103 A V E -H 106 0B 49 8,-1.2 8,-1.5 -2,-0.1 2,-0.2 -0.913 31.9-113.7-161.3 132.5 -1.9 64.6 28.2 99 104 A R E -H 105 0B 210 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.465 33.1-150.0 -70.2 140.1 -5.1 66.7 28.1 100 105 A L > - 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0 0 0 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 -0.676 26.9-176.5 -95.0 89.8 24.9 76.1 22.5 168 173 A S H > S+ 0 0 5 -2,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.864 79.8 48.4 -51.8 -48.9 23.0 77.8 19.8 169 174 A V H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.900 112.2 48.0 -66.3 -41.3 25.0 81.0 19.7 170 175 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.899 112.4 49.7 -66.1 -39.8 28.4 79.3 19.7 171 176 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.972 109.9 50.3 -61.7 -53.7 27.2 77.0 16.8 172 177 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.870 112.5 48.4 -50.9 -41.7 25.9 79.9 14.8 173 178 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.907 109.0 51.8 -65.7 -45.2 29.3 81.7 15.3 174 179 A K H X S+ 0 0 38 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.878 111.1 49.2 -58.3 -35.6 31.3 78.6 14.3 175 180 A L H X>S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 5,-0.6 0.852 105.4 55.3 -76.1 -37.1 29.2 78.4 11.1 176 181 A L H X5S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.2 6,-1.4 0.928 112.7 45.8 -55.5 -45.3 29.7 82.1 10.2 177 182 A Q H X5S+ 0 0 41 -4,-2.1 4,-1.0 4,-0.3 -2,-0.2 0.948 120.7 35.8 -62.5 -52.4 33.5 81.3 10.5 178 183 A Q H <5S+ 0 0 119 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.890 128.4 32.5 -73.0 -41.6 33.4 78.1 8.4 179 184 A R H <5S+ 0 0 111 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.719 136.5 19.9 -93.1 -25.8 30.7 78.9 5.9 180 185 A L H < + 0 0 0 1,-0.2 4,-2.2 -6,-0.1 5,-0.2 -0.626 36.8 168.8 -84.8 77.7 28.2 81.6 29.7 196 201 A N H > S+ 0 0 8 -2,-1.5 4,-2.0 1,-0.2 -42,-0.2 0.808 71.8 55.6 -60.9 -34.0 30.8 78.9 30.4 197 202 A G H > S+ 0 0 1 -44,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.959 108.7 44.6 -64.6 -54.4 29.9 77.0 27.2 198 203 A T H > S+ 0 0 0 -45,-1.0 4,-1.3 1,-0.2 -2,-0.2 0.908 112.2 53.6 -59.1 -45.3 30.6 80.0 24.9 199 204 A Q H >X S+ 0 0 18 -4,-2.2 4,-0.5 -46,-0.2 3,-0.5 0.934 111.6 45.4 -50.9 -51.6 33.8 80.8 26.8 200 205 A Q H >< S+ 0 0 81 -4,-2.0 3,-0.9 1,-0.2 4,-0.3 0.905 107.8 58.4 -61.0 -43.4 35.1 77.2 26.3 201 206 A A H 3< S+ 0 0 19 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.765 123.3 20.1 -60.9 -30.5 34.1 77.1 22.6 202 207 A F H X< S+ 0 0 6 -4,-1.3 3,-2.0 -3,-0.5 -1,-0.2 0.191 85.4 120.9-124.7 16.7 36.3 80.1 21.6 203 208 A Y T << S+ 0 0 56 -3,-0.9 30,-1.7 -4,-0.5 36,-0.2 0.782 84.8 34.3 -61.6 -36.0 38.8 80.3 24.5 204 209 A S T 3 S+ 0 0 69 -4,-0.3 -1,-0.3 28,-0.2 32,-0.2 0.169 100.9 99.2-100.6 16.2 41.9 79.9 22.3 205 210 A D X - 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