==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 28-APR-11 3RQD . COMPND 2 MOLECULE: HISTONE DEACETYLASE 8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.E COLE,D.P.DOWLING,D.W.CHRISTIANSON . 714 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26957.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 506 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.7 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 . 0 0.0 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 . 50 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 227 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 0 0 2 2 2 1 3 2 0 0 0 4 0 0 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 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 . 6 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 14 A L 0 0 198 0, 0.0 108,-0.1 0, 0.0 107,-0.1 0.000 360.0 360.0 360.0 40.6 2.0 2.1 21.9 2 15 A V - 0 0 71 106,-0.4 109,-0.1 39,-0.0 39,-0.1 -0.943 360.0-108.3-119.7 133.0 -0.0 -0.5 23.8 3 16 A P - 0 0 21 0, 0.0 39,-2.7 0, 0.0 2,-0.3 -0.209 30.5-125.7 -56.1 139.5 -0.1 -4.3 23.1 4 17 A V E -ab 42 112A 0 107,-3.4 109,-2.6 37,-0.2 2,-0.5 -0.689 20.0-158.1 -83.9 143.3 -3.3 -5.7 21.6 5 18 A Y E -ab 43 113A 9 37,-2.9 39,-2.4 -2,-0.3 2,-0.5 -0.937 9.8-142.7-126.7 106.0 -4.8 -8.6 23.5 6 19 A I E +a 44 0A 7 107,-2.7 2,-0.3 -2,-0.5 109,-0.2 -0.569 45.5 130.1 -72.7 119.2 -7.1 -10.8 21.5 7 20 A Y + 0 0 47 37,-2.2 -2,-0.1 -2,-0.5 3,-0.1 -0.980 23.1 158.4-166.4 152.7 -10.0 -11.9 23.7 8 21 A S > - 0 0 8 -2,-0.3 4,-2.3 37,-0.2 5,-0.3 -0.838 48.9-111.9-170.1 145.0 -13.8 -12.2 24.2 9 22 A P H > S+ 0 0 71 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.872 119.4 51.9 -47.7 -39.3 -15.8 -14.5 26.5 10 23 A E H > S+ 0 0 118 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.915 107.7 49.4 -66.7 -44.7 -17.0 -16.3 23.4 11 24 A Y H > S+ 0 0 10 -3,-0.2 4,-2.6 1,-0.2 5,-0.2 0.937 112.1 48.4 -62.4 -45.6 -13.6 -17.0 22.0 12 25 A V H X S+ 0 0 13 -4,-2.3 4,-2.5 2,-0.2 14,-0.2 0.908 111.0 50.0 -60.8 -44.2 -12.3 -18.3 25.3 13 26 A S H X S+ 0 0 75 -4,-2.0 4,-0.5 -5,-0.3 -1,-0.2 0.902 110.3 50.8 -62.1 -44.2 -15.3 -20.6 25.8 14 27 A M H >< S+ 0 0 60 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.969 114.1 44.0 -56.7 -49.8 -14.8 -22.0 22.3 15 28 A C H >< S+ 0 0 6 -4,-2.6 3,-1.3 1,-0.3 9,-0.2 0.818 103.6 64.5 -68.6 -28.7 -11.1 -22.6 23.0 16 29 A D H 3< S+ 0 0 15 -4,-2.5 7,-2.0 1,-0.2 -1,-0.3 0.663 88.6 75.3 -63.0 -15.2 -11.8 -24.1 26.4 17 30 A S T << + 0 0 78 -3,-1.5 2,-0.3 -4,-0.5 -1,-0.2 0.556 60.7 114.6 -83.5 -10.3 -13.7 -26.9 24.6 18 31 A L X - 0 0 22 -3,-1.3 3,-1.0 3,-0.2 6,-0.2 -0.465 62.2-143.4 -62.4 122.0 -10.6 -28.9 23.3 19 32 A A T 3 S+ 0 0 44 -2,-0.3 416,-1.3 1,-0.3 -1,-0.1 0.807 95.7 53.0 -59.4 -34.4 -10.7 -32.3 25.0 20 33 A K T 3 S+ 0 0 26 1,-0.2 -1,-0.3 414,-0.1 -2,-0.1 0.751 123.5 25.7 -77.5 -22.3 -6.9 -32.5 25.4 21 34 A I S X S- 0 0 8 -3,-1.0 3,-2.3 -6,-0.1 4,-0.4 -0.398 84.5-167.7-135.0 57.8 -6.5 -29.1 27.1 22 35 A P T 3 S- 0 0 31 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.243 72.9 -8.5 -60.8 126.9 -9.9 -28.5 28.8 23 36 A K T 3> S+ 0 0 94 -7,-2.0 4,-2.3 -10,-0.1 5,-0.2 0.548 88.9 133.5 64.2 14.1 -10.3 -24.9 30.0 24 37 A R H <> S+ 0 0 7 -3,-2.3 4,-2.2 -9,-0.2 5,-0.2 0.908 70.9 54.7 -58.4 -39.8 -6.6 -24.1 29.3 25 38 A A H > S+ 0 0 14 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.887 109.2 46.3 -63.7 -39.3 -7.8 -20.8 27.6 26 39 A S H > S+ 0 0 17 -14,-0.2 4,-3.2 2,-0.2 5,-0.3 0.890 110.5 52.8 -69.5 -39.4 -9.7 -19.7 30.7 27 40 A M H X S+ 0 0 12 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.909 112.7 45.3 -62.0 -40.4 -6.9 -20.6 33.1 28 41 A V H X S+ 0 0 5 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.937 118.0 41.4 -67.9 -50.7 -4.5 -18.5 31.0 29 42 A H H X S+ 0 0 15 -4,-2.4 4,-2.9 -5,-0.2 5,-0.2 0.910 114.5 53.0 -62.8 -44.1 -6.9 -15.5 30.6 30 43 A S H X S+ 0 0 8 -4,-3.2 4,-2.8 -5,-0.2 -2,-0.2 0.935 110.2 46.8 -59.0 -47.0 -8.0 -15.8 34.3 31 44 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.952 113.0 48.7 -62.9 -49.3 -4.5 -15.7 35.6 32 45 A I H <>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 6,-0.4 0.927 114.8 45.2 -50.6 -50.3 -3.5 -12.7 33.3 33 46 A E H ><5S+ 0 0 90 -4,-2.9 3,-1.5 1,-0.2 -1,-0.2 0.876 108.5 58.2 -65.7 -34.6 -6.7 -10.9 34.4 34 47 A A H 3<5S+ 0 0 33 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.866 106.0 48.4 -63.8 -36.3 -5.9 -11.9 38.1 35 48 A Y T 3<5S- 0 0 30 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.436 115.3-123.7 -80.0 1.6 -2.6 -10.1 37.7 36 49 A A T X 5 + 0 0 46 -3,-1.5 3,-0.6 -5,-0.2 4,-0.3 0.728 69.7 135.0 66.1 23.7 -4.5 -7.2 36.3 37 50 A L G > < + 0 0 3 -5,-2.2 3,-1.6 1,-0.2 -4,-0.2 0.781 57.9 68.8 -76.8 -25.8 -2.5 -7.2 33.1 38 51 A H G > S+ 0 0 28 -6,-0.4 3,-1.4 1,-0.3 -1,-0.2 0.779 89.5 66.2 -63.2 -24.2 -5.5 -6.8 30.7 39 52 A K G < S+ 0 0 168 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.724 100.7 49.6 -69.1 -21.7 -5.8 -3.3 32.1 40 53 A Q G < S+ 0 0 76 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.3 0.214 107.8 66.9-100.4 15.4 -2.5 -2.4 30.5 41 54 A M S < S- 0 0 15 -3,-1.4 2,-0.8 -39,-0.1 -37,-0.2 -0.868 84.7-111.1-130.1 165.3 -3.5 -3.8 27.1 42 55 A R E -a 4 0A 133 -39,-2.7 -37,-2.9 -2,-0.3 2,-0.4 -0.857 34.0-144.0 -97.7 105.4 -6.0 -3.1 24.4 43 56 A I E -a 5 0A 78 -2,-0.8 2,-0.5 -39,-0.2 -37,-0.2 -0.551 18.3-171.5 -77.1 124.9 -8.6 -5.9 24.3 44 57 A V E -a 6 0A 22 -39,-2.4 -37,-2.2 -2,-0.4 56,-0.0 -0.973 21.0-131.3-122.6 122.7 -9.7 -6.8 20.9 45 58 A K - 0 0 139 -2,-0.5 2,-0.2 -39,-0.2 -37,-0.2 -0.536 30.4-124.3 -68.2 130.6 -12.6 -9.1 20.2 46 59 A P - 0 0 16 0, 0.0 2,-0.2 0, 0.0 50,-0.2 -0.512 15.8-135.6 -77.3 146.9 -11.6 -11.7 17.6 47 60 A K - 0 0 75 48,-0.6 2,-0.4 -2,-0.2 52,-0.3 -0.655 25.2-109.7 -89.5 157.0 -13.6 -12.1 14.4 48 61 A V - 0 0 98 -2,-0.2 44,-0.2 47,-0.2 2,-0.1 -0.725 38.5-110.0 -83.6 134.7 -14.4 -15.7 13.1 49 62 A A - 0 0 7 42,-2.4 46,-0.1 -2,-0.4 2,-0.1 -0.392 27.0-132.5 -64.0 140.7 -12.5 -16.6 9.9 50 63 A S > - 0 0 43 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.407 27.5-106.6 -78.7 165.0 -14.5 -16.9 6.7 51 64 A M H > S+ 0 0 46 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.868 123.7 53.7 -59.2 -35.9 -14.0 -19.9 4.4 52 65 A E H 4 S+ 0 0 145 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.838 107.8 49.1 -69.5 -35.1 -12.1 -17.7 2.1 53 66 A E H >4 S+ 0 0 34 1,-0.2 3,-1.5 2,-0.2 4,-0.2 0.945 113.5 44.7 -69.0 -47.5 -9.8 -16.6 4.8 54 67 A M H >X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.3 3,-1.5 0.825 105.5 65.4 -63.6 -30.7 -9.1 -20.2 5.9 55 68 A A T 3< S+ 0 0 33 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.586 75.6 84.5 -72.3 -9.1 -8.7 -21.1 2.3 56 69 A T T <4 S+ 0 0 64 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.763 118.5 5.5 -59.5 -22.9 -5.6 -18.8 2.0 57 70 A F T <4 S+ 0 0 33 -3,-1.5 -2,-0.2 -4,-0.2 -3,-0.1 0.649 120.5 67.1-122.1 -58.6 -3.8 -21.9 3.3 58 71 A H S < S- 0 0 2 -4,-2.0 67,-0.2 1,-0.1 -1,-0.2 -0.356 82.8-108.9 -76.2 149.1 -6.1 -24.9 3.6 59 72 A T > - 0 0 42 65,-1.9 4,-2.5 1,-0.1 5,-0.2 -0.431 20.3-122.8 -73.1 149.7 -7.6 -26.7 0.6 60 73 A D H > S+ 0 0 102 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.901 113.6 57.0 -57.5 -42.1 -11.3 -26.4 -0.1 61 74 A A H > S+ 0 0 53 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.937 109.2 44.2 -54.8 -51.5 -11.6 -30.2 0.1 62 75 A Y H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.953 116.9 45.2 -58.8 -51.2 -10.1 -30.3 3.6 63 76 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.890 112.0 51.2 -64.1 -40.2 -12.2 -27.4 4.9 64 77 A Q H X S+ 0 0 96 -4,-3.2 4,-1.8 -5,-0.2 -1,-0.2 0.875 113.0 47.1 -64.7 -33.7 -15.4 -28.7 3.3 65 78 A H H X S+ 0 0 39 -4,-1.8 4,-2.7 -5,-0.3 5,-0.3 0.918 109.1 52.5 -75.1 -43.5 -14.7 -32.0 5.0 66 79 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 21,-0.3 0.930 112.0 46.4 -53.4 -49.4 -14.0 -30.5 8.4 67 80 A Q H X S+ 0 0 80 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.911 110.2 55.6 -61.9 -43.0 -17.2 -28.6 8.4 68 81 A K H >< S+ 0 0 133 -4,-1.8 3,-0.8 -5,-0.2 -2,-0.2 0.969 113.2 38.5 -49.5 -61.4 -19.0 -31.8 7.2 69 82 A V H 3< S+ 0 0 40 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.784 111.8 57.7 -67.4 -27.6 -17.8 -33.9 10.1 70 83 A S H 3< 0 0 8 -4,-2.1 15,-1.4 -5,-0.3 -1,-0.3 0.747 360.0 360.0 -72.6 -25.2 -18.2 -31.0 12.6 71 84 A Q << 0 0 176 -4,-1.5 -1,-0.2 -3,-0.8 -2,-0.1 -0.377 360.0 360.0 65.9 360.0 -21.9 -31.0 11.4 72 ! 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 73 95 A E > 0 0 165 0, 0.0 3,-1.4 0, 0.0 53,-0.0 0.000 360.0 360.0 360.0-177.6 -9.1 -39.1 6.4 74 96 A Y T 3 - 0 0 46 1,-0.3 53,-2.6 52,-0.1 3,-0.1 0.845 360.0 -67.7 63.8 31.6 -7.3 -35.7 6.2 75 97 A G T 3 S+ 0 0 24 51,-0.2 2,-2.2 1,-0.2 5,-0.3 0.518 95.0 146.4 69.7 5.6 -5.4 -36.8 9.3 76 98 A L < + 0 0 24 -3,-1.4 6,-0.7 3,-0.1 2,-0.3 -0.331 50.1 50.7 -79.6 59.3 -8.6 -36.6 11.3 77 99 A G S > S+ 0 0 14 -2,-2.2 3,-2.0 4,-0.2 2,-1.4 -0.964 85.4 36.9-170.6 179.7 -7.9 -39.5 13.7 78 100 A Y T 3 S+ 0 0 119 298,-1.2 -2,-0.1 1,-0.3 300,-0.0 -0.511 136.2 6.1 69.3 -92.7 -5.3 -40.9 16.2 79 101 A D T 3 S+ 0 0 30 -2,-1.4 -1,-0.3 -4,-0.2 49,-0.1 0.648 140.2 47.7 -87.9 -17.9 -4.0 -37.6 17.6 80 102 A C S < S+ 0 0 0 -3,-2.0 -1,-0.2 -5,-0.3 -2,-0.1 -0.395 70.9 175.4-127.5 56.0 -6.6 -35.5 15.8 81 103 A P - 0 0 24 0, 0.0 2,-0.6 0, 0.0 -4,-0.2 -0.371 33.9-120.4 -62.7 135.5 -10.1 -37.0 16.1 82 104 A A - 0 0 39 -6,-0.7 2,-0.2 -2,-0.1 -2,-0.0 -0.678 36.8-178.4 -75.8 118.2 -12.9 -34.9 14.6 83 105 A T > - 0 0 76 -2,-0.6 3,-1.2 1,-0.1 2,-0.2 -0.604 39.4 -76.8-106.0 174.4 -15.4 -33.9 17.3 84 106 A E T 3 S+ 0 0 144 1,-0.2 -14,-0.2 -2,-0.2 -13,-0.1 -0.524 117.2 17.7 -72.5 137.9 -18.6 -32.0 16.8 85 107 A G T 3> S+ 0 0 23 -15,-1.4 4,-2.2 -2,-0.2 3,-0.4 0.448 82.1 128.8 83.7 0.8 -18.1 -28.2 16.4 86 108 A I H <> S+ 0 0 4 -3,-1.2 4,-2.8 1,-0.2 -2,-0.1 0.781 70.9 55.7 -59.5 -27.3 -14.4 -28.6 15.6 87 109 A F H > S+ 0 0 18 -21,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.884 106.6 47.8 -74.2 -37.7 -15.0 -26.5 12.5 88 110 A D H > S+ 0 0 93 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.861 113.2 50.9 -67.6 -37.0 -16.4 -23.6 14.5 89 111 A Y H X S+ 0 0 10 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.975 110.1 48.1 -58.8 -56.5 -13.4 -24.1 16.8 90 112 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.902 112.9 48.2 -51.8 -46.4 -11.0 -24.0 13.8 91 113 A A H X S+ 0 0 3 -4,-2.4 4,-2.4 1,-0.2 -42,-2.4 0.832 108.3 55.2 -67.9 -35.0 -12.6 -20.9 12.4 92 114 A A H X S+ 0 0 11 -4,-1.8 4,-2.2 -3,-0.3 -1,-0.2 0.955 112.2 41.4 -61.9 -49.7 -12.5 -19.2 15.8 93 115 A I H X S+ 0 0 4 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.922 115.4 50.3 -68.6 -42.9 -8.8 -19.6 16.2 94 116 A G H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.936 112.7 46.3 -57.6 -49.5 -8.0 -18.8 12.6 95 117 A G H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -48,-0.6 0.851 109.4 55.4 -62.3 -36.5 -10.0 -15.6 12.7 96 118 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 -50,-0.2 -1,-0.2 0.893 109.9 45.6 -62.5 -40.6 -8.5 -14.6 16.1 97 119 A T H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.836 113.0 50.0 -74.5 -30.7 -4.9 -14.9 14.6 98 120 A I H X S+ 0 0 3 -4,-1.8 4,-3.1 2,-0.2 5,-0.2 0.917 108.7 52.5 -71.2 -41.7 -6.0 -13.0 11.5 99 121 A T H X S+ 0 0 14 -4,-2.7 4,-2.3 -52,-0.3 -2,-0.2 0.923 108.5 51.4 -55.0 -45.0 -7.5 -10.3 13.7 100 122 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.948 112.7 45.9 -56.8 -48.5 -4.2 -10.1 15.5 101 123 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.907 110.0 52.4 -60.2 -47.3 -2.4 -9.7 12.2 102 124 A Q H X S+ 0 0 59 -4,-3.1 4,-2.7 1,-0.2 6,-0.2 0.884 106.8 53.8 -62.2 -40.1 -4.8 -7.1 10.8 103 125 A C H <>S+ 0 0 9 -4,-2.3 5,-1.6 -5,-0.2 6,-0.6 0.904 108.9 49.2 -54.9 -45.2 -4.3 -5.0 13.9 104 126 A L H ><5S+ 0 0 4 -4,-1.6 3,-1.1 1,-0.2 -2,-0.2 0.890 110.6 50.5 -66.1 -37.9 -0.6 -5.1 13.4 105 127 A I H 3<5S+ 0 0 22 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.946 106.2 55.4 -62.3 -45.7 -1.1 -4.1 9.8 106 128 A D T 3<5S- 0 0 105 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.374 112.1-117.8 -74.1 6.6 -3.3 -1.1 10.8 107 129 A G T < 5S+ 0 0 57 -3,-1.1 -3,-0.2 2,-0.2 -1,-0.1 0.583 74.7 134.5 69.3 9.3 -0.6 0.3 13.0 108 130 A M S + c 0 279A 0 164,-2.9 3,-1.9 -2,-0.5 166,-1.0 -0.738 8.2 178.4-129.0 84.3 -3.4 -14.4 20.7 115 137 A W T 3 S+ 0 0 11 -2,-0.3 166,-0.5 1,-0.3 -1,-0.1 0.695 77.2 56.4 -62.7 -23.5 -2.4 -17.0 23.4 116 138 A S T 3 S+ 0 0 16 164,-0.2 -1,-0.3 163,-0.1 2,-0.1 0.313 99.3 73.3 -94.5 10.9 -4.8 -19.6 22.2 117 139 A G < + 0 0 0 -3,-1.9 163,-0.4 161,-0.1 3,-0.1 -0.320 43.8 98.6-100.8-167.9 -3.4 -19.7 18.7 118 140 A G + 0 0 0 161,-0.2 2,-2.0 1,-0.1 164,-0.2 0.684 34.3 160.6 98.8 23.5 -0.1 -21.2 17.4 119 141 A W > + 0 0 9 14,-0.2 3,-0.8 1,-0.2 18,-0.2 -0.493 12.5 168.4 -79.7 77.8 -1.4 -24.5 16.1 120 142 A H T 3 + 0 0 4 -2,-2.0 43,-1.0 1,-0.2 42,-0.7 0.484 53.7 64.4 -79.8 -13.8 1.7 -24.9 13.9 121 143 A H T 3 + 0 0 6 7,-0.3 -1,-0.2 41,-0.2 8,-0.1 0.652 69.0 109.8 -84.0 -21.9 1.5 -28.6 12.8 122 144 A A < - 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0 0 23 -3,-1.3 3,-0.9 3,-0.2 6,-0.2 -0.469 62.3-143.2 -61.5 122.8 -11.7 -46.0 20.4 376 32 B A T 3 S+ 0 0 44 -2,-0.3 -298,-1.2 1,-0.3 -1,-0.1 0.790 95.3 52.5 -61.4 -33.1 -10.6 -42.7 18.9 377 33 B K T 3 S+ 0 0 25 1,-0.2 -1,-0.3 -300,-0.1 -2,-0.1 0.755 123.7 26.5 -79.6 -21.7 -6.9 -43.1 19.7 378 34 B I S X S- 0 0 8 -3,-0.9 3,-2.3 -6,-0.1 4,-0.4 -0.353 84.1-169.0-134.7 56.4 -6.6 -46.6 18.2 379 35 B P T 3 S- 0 0 37 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.219 72.7 -8.0 -61.1 128.0 -9.3 -46.7 15.5 380 36 B K T 3> S+ 0 0 92 -7,-1.9 4,-2.5 -10,-0.1 5,-0.2 0.529 88.9 132.1 62.3 14.2 -9.9 -50.2 14.0 381 37 B R H <> S+ 0 0 5 -3,-2.3 4,-2.1 1,-0.2 5,-0.2 0.895 71.5 54.7 -59.7 -37.6 -6.9 -51.7 15.9 382 38 B A H > S+ 0 0 14 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.910 109.8 45.8 -66.3 -39.7 -9.1 -54.5 17.0 383 39 B S H > S+ 0 0 17 -14,-0.2 4,-3.2 1,-0.2 5,-0.3 0.903 110.7 52.8 -68.3 -40.4 -10.1 -55.4 13.4 384 40 B M H X S+ 0 0 13 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.892 112.7 45.2 -60.4 -40.2 -6.6 -55.1 12.2 385 41 B V H X S+ 0 0 5 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.923 118.1 41.5 -70.3 -48.8 -5.4 -57.6 14.9 386 42 B H H X S+ 0 0 16 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.906 113.9 53.4 -62.7 -42.6 -8.2 -60.0 14.4 387 43 B S H X S+ 0 0 10 -4,-3.2 4,-2.4 -5,-0.2 -2,-0.2 0.916 110.2 46.5 -61.7 -43.5 -8.1 -59.7 10.6 388 44 B L H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.3 5,-0.2 0.958 113.0 48.6 -66.3 -50.9 -4.4 -60.5 10.5 389 45 B I H <>S+ 0 0 0 -4,-2.0 5,-2.2 1,-0.2 6,-0.4 0.925 115.1 45.3 -49.3 -51.2 -4.7 -63.5 12.8 390 46 B E H ><5S+ 0 0 89 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.864 108.6 57.9 -64.5 -34.0 -7.6 -64.8 10.7 391 47 B A H 3<5S+ 0 0 32 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.892 106.1 48.0 -63.3 -39.3 -5.5 -64.1 7.6 392 48 B Y T 3<5S- 0 0 30 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.428 115.8-123.0 -78.5 0.8 -2.8 -66.4 8.9 393 49 B A T X 5 + 0 0 48 -3,-1.3 3,-0.7 -5,-0.2 4,-0.2 0.715 69.9 135.5 67.5 24.2 -5.7 -68.9 9.6 394 50 B L G > < + 0 0 2 -5,-2.2 3,-1.7 1,-0.2 -4,-0.2 0.795 57.8 68.9 -76.2 -25.4 -4.8 -69.1 13.3 395 51 B H G > S+ 0 0 29 -6,-0.4 3,-1.4 1,-0.3 -1,-0.2 0.776 89.4 66.4 -63.9 -22.3 -8.4 -68.8 14.5 396 52 B K G < S+ 0 0 167 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.704 100.6 48.8 -72.3 -19.6 -8.9 -72.3 13.0 397 53 B Q G < S+ 0 0 73 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.3 0.191 107.8 68.8-102.5 15.1 -6.5 -73.7 15.6 398 54 B M S < S- 0 0 15 -3,-1.4 2,-0.8 -39,-0.1 -37,-0.2 -0.855 84.5-112.4-128.6 163.9 -8.2 -72.0 18.5 399 55 B R E -l 361 0F 107 -39,-2.8 -37,-2.9 -2,-0.3 2,-0.4 -0.876 33.8-143.9 -97.8 105.9 -11.6 -72.2 20.3 400 56 B I E -l 362 0F 82 -2,-0.8 2,-0.5 -39,-0.2 -37,-0.2 -0.571 18.4-171.3 -78.8 123.3 -13.5 -69.0 19.5 401 57 B V E -l 363 0F 21 -39,-2.5 -37,-2.1 -2,-0.4 56,-0.0 -0.968 21.0-131.3-120.7 121.9 -15.5 -67.8 22.5 402 58 B K - 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