==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 13-FEB-06 2DEM . COMPND 2 MOLECULE: 5'-D(*AP*TP*GP*TP*TP*GP*CP*(D1P)P*TP*TP*AP*GP*TP* . SOURCE 2 SYNTHETIC: YES; . AUTHOR H.KOSAKA,N.NAKAGAWA,R.MASUI,J.HOSEKI,S.KURAMITSU,RIKEN STRUC . 219 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11028.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 12 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 0 0 2 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 0 PARALLEL BRIDGES PER LADDER . 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 126 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.5 6.8 105.0 20.5 2 2 A D > - 0 0 97 1,-0.1 4,-2.0 4,-0.0 3,-0.2 -0.329 360.0 -91.8 -89.4 178.1 9.4 107.7 21.1 3 3 A R H > S+ 0 0 106 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.893 122.7 56.5 -60.2 -42.9 10.5 109.0 24.5 4 4 A E H > S+ 0 0 158 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.915 110.8 44.9 -55.5 -43.8 7.9 111.8 24.8 5 5 A A H > S+ 0 0 32 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.869 112.3 52.8 -67.6 -37.4 5.1 109.3 24.3 6 6 A F H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.963 111.9 44.3 -62.3 -52.0 6.7 106.9 26.7 7 7 A V H X S+ 0 0 45 -4,-3.2 4,-2.1 2,-0.2 -2,-0.2 0.894 114.1 50.8 -60.4 -41.9 7.0 109.6 29.4 8 8 A Q H X S+ 0 0 125 -4,-2.3 4,-0.7 -5,-0.3 -2,-0.2 0.958 116.8 37.8 -62.8 -52.2 3.4 110.8 28.8 9 9 A T H >< S+ 0 0 55 -4,-2.6 3,-0.8 1,-0.2 4,-0.4 0.910 114.8 54.6 -69.5 -40.1 1.8 107.4 29.0 10 10 A L H >< S+ 0 0 1 -4,-3.0 3,-1.9 -5,-0.3 -2,-0.2 0.941 104.8 52.8 -57.8 -50.0 4.0 106.1 31.8 11 11 A T H 3< S+ 0 0 34 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.702 108.1 51.9 -61.9 -18.1 3.2 109.0 34.2 12 12 A A T << S+ 0 0 67 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.460 83.5 123.8 -95.7 -2.5 -0.5 108.4 33.7 13 13 A C < + 0 0 22 -3,-1.9 -3,-0.0 -4,-0.4 3,-0.0 -0.307 25.4 164.6 -63.9 139.3 -0.3 104.7 34.6 14 14 A R + 0 0 171 -2,-0.0 -1,-0.1 1,-0.0 6,-0.1 -0.110 29.4 128.2-145.4 36.4 -2.4 103.4 37.5 15 15 A L + 0 0 86 1,-0.2 -2,-0.0 2,-0.0 -1,-0.0 0.787 64.5 60.4 -67.7 -31.1 -2.2 99.7 37.0 16 16 A C >> - 0 0 21 1,-0.2 4,-2.6 110,-0.1 3,-0.6 -0.825 64.2-168.8-105.8 98.4 -1.2 98.8 40.5 17 17 A P H 3> S+ 0 0 105 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.859 86.7 53.7 -50.7 -43.9 -3.8 99.9 43.1 18 18 A R H 3> S+ 0 0 94 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.886 114.9 40.8 -61.6 -39.0 -1.6 99.3 46.1 19 19 A L H <> S+ 0 0 3 -3,-0.6 4,-2.5 2,-0.2 5,-0.2 0.829 108.1 58.3 -80.1 -34.4 1.2 101.5 44.6 20 20 A V H < S+ 0 0 24 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.880 115.5 40.8 -60.9 -34.1 -1.1 104.2 43.2 21 21 A A H >X S+ 0 0 60 -4,-1.7 4,-2.5 -5,-0.3 3,-1.0 0.944 114.3 48.9 -77.6 -51.4 -2.2 104.6 46.9 22 22 A W H 3X S+ 0 0 64 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.881 102.2 61.8 -57.9 -42.7 1.2 104.2 48.6 23 23 A R H 3< S+ 0 0 15 -4,-2.5 -1,-0.2 93,-0.3 -2,-0.1 0.779 116.2 33.0 -58.8 -26.7 3.0 106.7 46.4 24 24 A E H X4 S+ 0 0 118 -3,-1.0 3,-1.1 -4,-0.4 -1,-0.2 0.764 110.4 65.6 -96.8 -31.3 0.6 109.4 47.6 25 25 A E H 3< S+ 0 0 91 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.850 98.4 53.8 -59.0 -37.0 0.1 108.0 51.1 26 26 A V T >< S+ 0 0 3 -4,-2.1 3,-2.3 -5,-0.1 4,-0.5 0.631 79.0 115.7 -76.7 -11.3 3.8 108.6 52.1 27 27 A V T < S+ 0 0 45 -3,-1.1 7,-0.1 1,-0.3 36,-0.1 -0.401 88.2 9.0 -62.5 122.9 3.7 112.3 51.1 28 28 A G T 3 S+ 0 0 12 -2,-0.2 -1,-0.3 2,-0.1 6,-0.1 0.376 98.4 108.6 89.1 -4.6 4.2 114.4 54.3 29 29 A R < + 0 0 149 -3,-2.3 2,-0.7 1,-0.1 -2,-0.1 0.730 63.3 71.8 -77.4 -23.5 5.2 111.3 56.4 30 30 A K S >> S- 0 0 92 -4,-0.5 3,-1.8 1,-0.1 4,-0.6 -0.859 76.0-145.1 -99.6 117.3 8.9 112.2 56.6 31 31 A R G >4 S+ 0 0 235 -2,-0.7 3,-1.2 1,-0.3 -1,-0.1 0.828 94.1 60.2 -43.6 -50.2 9.6 115.2 58.9 32 32 A A G 34 S+ 0 0 61 1,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.781 116.5 32.9 -55.5 -26.7 12.5 116.7 56.9 33 33 A F G X4 S+ 0 0 36 -3,-1.8 3,-2.1 3,-0.1 -1,-0.2 0.319 79.9 136.9-115.4 9.3 10.2 117.1 53.9 34 34 A R T << S+ 0 0 183 -3,-1.2 -7,-0.0 -4,-0.6 -3,-0.0 -0.318 75.4 21.8 -60.4 134.8 6.8 117.9 55.3 35 35 A G T 3 S+ 0 0 83 1,-0.3 -1,-0.3 -2,-0.0 -4,-0.0 0.315 99.3 115.8 92.3 -9.5 5.1 120.7 53.3 36 36 A E S < S- 0 0 85 -3,-2.1 -1,-0.3 1,-0.1 2,-0.2 -0.555 74.1 -96.8 -91.8 157.7 7.2 120.2 50.2 37 37 A P - 0 0 119 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.491 36.5-157.8 -75.3 142.8 5.9 119.1 46.8 38 38 A Y - 0 0 25 -2,-0.2 29,-0.2 1,-0.1 30,-0.2 -0.955 20.1-141.2-119.4 141.3 6.2 115.4 46.0 39 39 A W + 0 0 72 28,-1.1 28,-0.2 -2,-0.4 -1,-0.1 0.933 31.2 176.4 -62.7 -48.2 6.2 113.8 42.5 40 40 A A + 0 0 11 26,-3.1 27,-0.1 1,-0.2 26,-0.1 0.842 44.1 95.4 42.8 46.9 4.0 111.0 43.8 41 41 A R S S- 0 0 103 25,-0.2 75,-0.2 73,-0.1 -1,-0.2 -0.903 88.8 -57.5-150.4 173.5 3.8 109.5 40.3 42 42 A P - 0 0 1 0, 0.0 73,-0.2 0, 0.0 72,-0.0 -0.302 57.3-124.5 -58.4 142.4 5.5 106.8 38.1 43 43 A V - 0 0 8 71,-2.5 68,-0.2 -33,-0.1 2,-0.2 -0.823 17.7-147.9 -98.1 117.3 9.2 107.6 37.8 44 44 A P - 0 0 16 0, 0.0 -37,-0.0 0, 0.0 -38,-0.0 -0.527 30.7-100.1 -78.3 148.8 10.6 107.9 34.2 45 45 A G - 0 0 2 -2,-0.2 2,-0.3 25,-0.1 65,-0.2 -0.164 37.0-145.2 -63.5 165.5 14.2 106.8 33.7 46 46 A F E +A 109 0A 44 63,-2.3 63,-3.4 2,-0.1 2,-0.3 -0.987 43.0 42.2-137.3 144.0 17.0 109.4 33.5 47 47 A G E S+A 108 0A 24 -2,-0.3 61,-0.3 61,-0.2 58,-0.1 -0.889 85.6 0.8 132.3-162.1 20.2 109.6 31.5 48 48 A D > - 0 0 42 59,-2.9 3,-2.2 -2,-0.3 57,-0.1 -0.569 43.4-156.8 -74.2 113.7 21.9 109.2 28.2 49 49 A P T 3 S+ 0 0 79 0, 0.0 94,-0.4 0, 0.0 -1,-0.2 0.730 100.1 50.2 -63.9 -16.3 19.5 107.9 25.5 50 50 A E T 3 S+ 0 0 109 57,-0.1 91,-0.1 92,-0.1 -2,-0.1 0.073 86.8 151.7-104.8 20.9 22.6 106.6 23.7 51 51 A A < - 0 0 0 -3,-2.2 56,-0.2 1,-0.1 92,-0.1 -0.172 37.8-166.6 -56.8 142.5 23.9 104.9 26.9 52 52 A R S S+ 0 0 78 54,-1.5 93,-2.9 92,-0.2 94,-2.4 0.527 80.0 58.6-100.7 -15.7 26.0 101.8 26.6 53 53 A I E -bc 107 146A 1 53,-2.3 55,-1.7 91,-0.2 2,-0.5 -0.968 64.6-169.1-121.4 130.8 25.5 101.1 30.3 54 54 A L E -bc 108 147A 0 92,-2.7 94,-3.4 -2,-0.4 2,-0.6 -0.977 7.7-158.8-120.7 123.1 22.2 100.6 32.0 55 55 A L E -bc 109 148A 0 53,-2.2 55,-1.7 -2,-0.5 2,-0.7 -0.915 15.3-159.8-100.4 118.5 21.9 100.6 35.9 56 56 A F E -bc 110 149A 0 92,-3.5 94,-2.8 -2,-0.6 55,-0.3 -0.880 10.6-172.4-109.5 108.5 18.7 98.8 36.8 57 57 A G E -b 111 0A 0 53,-3.1 55,-2.1 -2,-0.7 56,-0.1 -0.013 29.5-113.0 -86.5-169.6 17.3 99.4 40.3 58 58 A L S S- 0 0 34 1,-0.3 55,-1.9 53,-0.2 53,-0.1 0.936 71.3 -53.1 -90.3 -62.4 14.4 98.0 42.3 59 59 A A - 0 0 26 53,-0.2 -1,-0.3 52,-0.1 55,-0.2 -0.973 66.0 -61.5-170.0 172.1 11.8 100.7 42.7 60 60 A P - 0 0 6 0, 0.0 2,-0.3 0, 0.0 60,-0.1 -0.407 49.4-125.3 -67.9 142.6 11.3 104.4 43.8 61 61 A G > > - 0 0 17 55,-0.1 5,-1.6 1,-0.1 3,-1.4 -0.678 22.9-116.7 -85.8 144.7 12.1 105.2 47.4 62 62 A A T 3 5S+ 0 0 22 -2,-0.3 -22,-0.2 1,-0.3 -1,-0.1 0.863 114.8 20.5 -47.6 -45.7 9.2 106.8 49.3 63 63 A H T 3 5S+ 0 0 42 3,-0.1 -1,-0.3 4,-0.1 -2,-0.0 0.138 122.6 66.8-113.1 18.5 11.1 110.0 49.9 64 64 A G T X>5S- 0 0 1 -3,-1.4 4,-2.6 3,-0.1 3,-1.6 0.494 120.7 -12.6-101.8-115.1 13.6 109.5 47.1 65 65 A S H 3>5S+ 0 0 7 1,-0.3 4,-2.4 2,-0.2 -26,-0.1 0.775 131.1 66.1 -63.0 -24.5 12.6 109.5 43.4 66 66 A N H 34 S- 0 0 26 3,-0.3 3,-2.0 -6,-0.2 -1,-0.2 -0.985 83.7 -96.8-128.0 133.2 14.3 111.5 39.2 71 71 A P T 3 S- 0 0 9 0, 0.0 3,-0.1 0, 0.0 38,-0.0 -0.062 103.4 -3.3 -44.8 138.1 15.8 108.1 39.8 72 72 A F T 3 S+ 0 0 23 1,-0.2 2,-0.5 2,-0.1 3,-0.4 0.662 100.3 137.8 49.9 22.9 18.0 107.8 42.9 73 73 A T < + 0 0 1 -3,-2.0 -5,-0.5 1,-0.2 -3,-0.3 -0.859 58.0 12.8-107.2 124.0 17.6 111.5 43.6 74 74 A G S S+ 0 0 32 -2,-0.5 2,-0.2 1,-0.3 -1,-0.2 0.609 106.5 76.0 99.0 11.8 17.0 112.8 47.1 75 75 A D S > S- 0 0 48 -3,-0.4 4,-1.9 1,-0.0 -1,-0.3 -0.835 93.9 -85.2-141.5-179.0 17.8 109.8 49.3 76 76 A A H > S+ 0 0 44 -2,-0.2 4,-1.2 1,-0.2 5,-0.2 0.790 120.5 60.5 -61.2 -32.1 20.7 107.8 50.8 77 77 A S H > S+ 0 0 15 1,-0.2 4,-2.9 2,-0.2 3,-0.3 0.922 109.1 42.2 -63.5 -43.8 20.9 105.7 47.6 78 78 A G H > S+ 0 0 4 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.867 106.1 61.7 -70.9 -35.5 21.7 108.7 45.5 79 79 A A H < S+ 0 0 64 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.823 115.8 35.6 -58.1 -30.2 24.0 110.2 48.0 80 80 A F H X S+ 0 0 26 -4,-1.2 4,-0.9 -3,-0.3 -2,-0.2 0.896 121.4 44.1 -87.1 -50.8 26.1 107.0 47.5 81 81 A L H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -3,-0.2 0.920 106.4 53.4 -64.8 -52.6 25.5 106.4 43.7 82 82 A Y H X S+ 0 0 3 -4,-2.0 4,-1.8 -10,-0.2 -1,-0.2 0.868 105.7 50.5 -60.0 -40.8 25.9 109.8 42.1 83 83 A P H > S+ 0 0 26 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.917 111.5 51.4 -64.9 -35.1 29.3 110.8 43.4 84 84 A L H X S+ 0 0 2 -4,-0.9 4,-1.7 2,-0.2 -2,-0.2 0.852 104.0 56.1 -67.4 -34.7 30.6 107.5 42.3 85 85 A L H <>S+ 0 0 0 -4,-1.8 5,-2.9 1,-0.2 6,-0.3 0.928 111.2 45.3 -61.5 -42.5 29.2 107.9 38.8 86 86 A H H ><5S+ 0 0 75 -4,-1.8 3,-1.9 4,-0.2 5,-0.2 0.913 109.0 54.3 -67.3 -42.2 31.2 111.2 38.6 87 87 A E H 3<5S+ 0 0 109 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.806 107.9 51.7 -61.6 -28.6 34.4 109.6 40.0 88 88 A A T 3<5S- 0 0 4 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.404 120.9-110.7 -87.5 2.0 34.1 106.9 37.3 89 89 A G T < 5S+ 0 0 48 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.785 85.2 119.2 74.8 29.4 33.8 109.7 34.6 90 90 A L < + 0 0 3 -5,-2.9 15,-2.4 -6,-0.2 2,-0.3 0.258 65.3 39.6-111.3 12.9 30.2 108.9 33.8 91 91 A S B S-F 104 0B 6 -6,-0.3 13,-0.2 13,-0.3 -2,-0.1 -0.983 73.8-116.5-155.6 165.1 28.5 112.2 34.7 92 92 A S S S+ 0 0 41 11,-2.5 12,-0.1 -2,-0.3 -1,-0.1 0.752 94.7 2.7 -76.3 -28.2 28.8 116.0 34.6 93 93 A K S S- 0 0 50 10,-0.3 -1,-0.2 2,-0.1 -7,-0.1 -0.991 70.3-110.1-156.9 158.5 28.8 116.6 38.4 94 94 A P S S+ 0 0 55 0, 0.0 2,-0.3 0, 0.0 -8,-0.2 0.803 92.7 59.9 -59.8 -36.7 28.8 114.7 41.7 95 95 A E - 0 0 100 -12,-0.1 2,-0.5 -13,-0.1 -2,-0.1 -0.691 64.2-148.5-104.5 153.8 25.3 115.6 42.9 96 96 A S + 0 0 9 -2,-0.3 -22,-0.3 -24,-0.1 -14,-0.1 -0.970 22.0 172.8-118.0 116.8 21.8 115.1 41.5 97 97 A L > - 0 0 103 -2,-0.5 3,-2.4 -24,-0.1 5,-0.3 -0.987 40.8-101.5-126.2 133.3 19.3 117.8 42.3 98 98 A P T 3 S+ 0 0 72 0, 0.0 3,-0.1 0, 0.0 -29,-0.1 -0.235 108.4 13.9 -52.5 133.1 15.8 117.9 40.8 99 99 A G T 3 S+ 0 0 80 1,-0.2 -3,-0.0 3,-0.1 2,-0.0 0.502 99.2 125.1 79.9 2.9 15.7 120.5 38.0 100 100 A D S < S- 0 0 39 -3,-2.4 -1,-0.2 1,-0.1 -4,-0.0 -0.098 73.5-106.6 -82.8-170.4 19.5 120.8 37.7 101 101 A D + 0 0 122 -3,-0.1 -1,-0.1 2,-0.1 -9,-0.0 0.005 57.2 156.0-107.6 27.9 21.6 120.4 34.6 102 102 A L - 0 0 4 -5,-0.3 2,-0.4 -10,-0.1 -55,-0.1 -0.303 22.5-164.8 -58.9 130.3 23.1 117.0 35.5 103 103 A R - 0 0 167 -2,-0.0 -11,-2.5 -55,-0.0 2,-0.5 -0.948 9.1-149.5-119.8 139.5 24.2 115.0 32.4 104 104 A L B -F 91 0B 9 -2,-0.4 2,-0.8 -13,-0.2 -13,-0.3 -0.915 11.8-144.7-108.0 133.7 25.0 111.3 32.4 105 105 A Y S S- 0 0 118 -15,-2.4 3,-0.1 -2,-0.5 -2,-0.0 -0.837 77.0 -21.4-105.3 104.5 27.6 110.1 29.9 106 106 A G S S+ 0 0 10 -2,-0.8 -53,-2.3 1,-0.2 -54,-1.5 0.525 116.6 99.8 80.3 7.2 27.0 106.7 28.4 107 107 A V E - b 0 53A 0 -17,-0.3 -59,-2.9 -56,-0.2 2,-0.3 -0.951 47.2-172.4-129.3 146.2 24.7 105.7 31.3 108 108 A Y E -Ab 47 54A 5 -55,-1.7 -53,-2.2 -2,-0.3 2,-0.4 -0.990 12.5-149.0-135.1 143.1 21.0 105.5 31.9 109 109 A L E +Ab 46 55A 0 -63,-3.4 -63,-2.3 -2,-0.3 2,-0.2 -0.942 32.5 124.8-121.6 135.1 19.1 104.9 35.1 110 110 A T E - b 0 56A 4 -55,-1.7 -53,-3.1 -2,-0.4 2,-0.3 -0.861 35.8-128.9-160.1-167.8 15.7 103.2 35.7 111 111 A A E - b 0 57A 13 -55,-0.3 -53,-0.2 -2,-0.2 -52,-0.1 -0.961 27.1-103.2-153.1 169.7 14.2 100.3 37.8 112 112 A A S S+ 0 0 2 -55,-2.1 2,-0.4 -2,-0.3 22,-0.2 0.869 109.9 30.6 -62.7 -42.3 12.0 97.2 37.7 113 113 A V - 0 0 1 -55,-1.9 -1,-0.1 -56,-0.1 14,-0.1 -0.946 67.2-159.2-120.1 142.2 9.0 98.9 39.3 114 114 A R + 0 0 4 -2,-0.4 -71,-2.5 -55,-0.2 2,-0.4 0.373 68.9 65.6-107.4 5.2 8.3 102.6 38.8 115 115 A C S S- 0 0 17 -73,-0.2 -95,-0.1 -55,-0.1 -53,-0.1 -0.990 94.4 -95.4-128.2 136.4 6.0 103.5 41.7 116 116 A A - 0 0 1 -2,-0.4 -93,-0.3 -75,-0.2 -55,-0.1 -0.241 43.8-154.6 -52.1 122.6 7.0 103.5 45.4 117 117 A P > - 0 0 2 0, 0.0 3,-2.1 0, 0.0 -55,-0.2 -0.786 25.1 -94.8-103.9 146.0 6.0 100.2 47.0 118 118 A P G > S+ 0 0 20 0, 0.0 3,-2.1 0, 0.0 -99,-0.0 -0.297 109.8 1.2 -57.4 137.3 5.3 99.5 50.7 119 119 A K G 3 S- 0 0 181 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.672 120.4 -81.0 58.0 17.9 8.4 98.2 52.5 120 120 A N G < S+ 0 0 91 -3,-2.1 -1,-0.3 1,-0.2 -59,-0.0 0.853 105.7 121.2 57.6 34.0 10.3 98.6 49.3 121 121 A K < - 0 0 122 -3,-2.1 -1,-0.2 -63,-0.0 2,-0.1 -0.804 46.6-165.3-133.1 92.9 8.8 95.2 48.3 122 122 A P - 0 0 2 0, 0.0 -6,-0.0 0, 0.0 -9,-0.0 -0.405 26.8-113.1 -73.5 155.4 6.7 95.0 45.2 123 123 A T > - 0 0 44 1,-0.1 4,-2.1 -2,-0.1 3,-0.3 -0.439 27.0-107.6 -82.9 161.6 4.4 92.0 44.8 124 124 A P H > S+ 0 0 94 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.870 122.5 53.2 -57.2 -33.2 5.1 89.4 42.0 125 125 A E H > S+ 0 0 138 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.864 106.2 50.5 -70.1 -36.9 2.0 90.8 40.3 126 126 A E H > S+ 0 0 11 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.867 109.9 51.5 -69.3 -35.3 3.2 94.4 40.4 127 127 A L H X S+ 0 0 42 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.925 109.5 49.2 -66.2 -44.5 6.5 93.4 38.9 128 128 A R H < S+ 0 0 169 -4,-2.0 4,-0.4 -5,-0.2 -2,-0.2 0.879 112.5 50.3 -62.1 -37.0 4.8 91.6 36.0 129 129 A A H >< S+ 0 0 17 -4,-1.9 3,-1.4 1,-0.2 4,-0.3 0.967 112.7 42.5 -66.5 -53.5 2.7 94.7 35.5 130 130 A C H >X S+ 0 0 14 -4,-2.7 4,-1.4 1,-0.3 3,-1.3 0.680 94.9 81.7 -69.8 -15.4 5.5 97.2 35.4 131 131 A A H 3X S+ 0 0 38 -4,-1.5 4,-2.1 1,-0.3 -1,-0.3 0.786 81.1 66.4 -59.7 -25.3 7.6 94.8 33.2 132 132 A R H <> S+ 0 0 137 -3,-1.4 4,-1.7 -4,-0.4 -1,-0.3 0.882 101.7 47.3 -63.7 -35.0 5.6 96.2 30.3 133 133 A W H <> S+ 0 0 29 -3,-1.3 4,-3.3 -4,-0.3 5,-0.2 0.825 106.0 57.6 -74.4 -31.8 7.2 99.5 30.8 134 134 A T H X S+ 0 0 7 -4,-1.4 4,-2.9 2,-0.2 5,-0.4 0.918 105.7 51.7 -63.2 -40.3 10.6 97.9 31.1 135 135 A E H X S+ 0 0 93 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.946 114.4 42.1 -60.8 -47.4 10.0 96.5 27.6 136 136 A V H X S+ 0 0 40 -4,-1.7 4,-0.7 2,-0.2 -2,-0.2 0.934 117.4 46.0 -65.7 -47.0 9.2 99.9 26.3 137 137 A E H >< S+ 0 0 0 -4,-3.3 3,-1.1 1,-0.2 -2,-0.2 0.930 113.8 45.7 -65.3 -47.7 11.9 101.7 28.1 138 138 A L H >< S+ 0 0 10 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.801 106.7 62.3 -66.5 -25.1 14.8 99.3 27.3 139 139 A G H 3< S+ 0 0 58 -4,-1.2 -1,-0.3 -5,-0.4 -2,-0.2 0.765 99.6 54.7 -68.9 -23.3 13.4 99.3 23.7 140 140 A L T << S+ 0 0 50 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.336 95.8 71.5 -90.8 6.6 14.3 103.0 23.7 141 141 A L X + 0 0 7 -3,-1.4 3,-1.1 1,-0.1 -1,-0.2 -0.637 56.2 162.8-122.8 72.4 17.9 102.3 24.7 142 142 A P T 3 + 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -92,-0.1 0.717 68.4 56.0 -62.4 -27.8 19.4 100.8 21.5 143 143 A E T 3 S+ 0 0 81 -94,-0.4 2,-0.1 -92,-0.1 -93,-0.1 0.475 72.5 127.1 -90.2 -0.6 23.0 101.2 22.4 144 144 A V < + 0 0 6 -3,-1.1 -92,-0.2 -6,-0.2 -91,-0.2 -0.356 20.4 163.1 -62.8 129.2 23.1 99.4 25.7 145 145 A R + 0 0 108 -93,-2.9 39,-3.0 1,-0.3 2,-0.5 0.597 65.4 47.0-115.2 -25.6 25.8 96.8 25.9 146 146 A V E -cd 53 184A 0 -94,-2.4 -92,-2.7 37,-0.2 2,-0.6 -0.971 61.9-165.7-127.9 120.7 25.9 96.2 29.6 147 147 A Y E -cd 54 185A 11 37,-2.9 39,-3.1 -2,-0.5 2,-0.6 -0.914 10.1-161.6-105.1 118.0 22.9 95.8 31.9 148 148 A V E -cd 55 186A 0 -94,-3.4 -92,-3.5 -2,-0.6 2,-0.6 -0.889 4.8-152.9-105.9 113.7 23.7 96.2 35.6 149 149 A A E -cd 56 187A 0 37,-3.2 39,-2.4 -2,-0.6 2,-1.1 -0.741 3.9-153.9 -85.9 121.1 21.2 94.7 38.1 150 150 A L E - d 0 188A 0 -94,-2.8 4,-0.4 -2,-0.6 40,-0.2 -0.790 66.9 -15.1 -96.3 91.5 21.3 96.5 41.4 151 151 A G S > S- 0 0 9 37,-2.9 4,-2.2 -2,-1.1 5,-0.1 -0.139 88.9 -71.2 101.9 163.1 20.1 93.9 43.8 152 152 A R H > S+ 0 0 144 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.918 126.3 51.9 -58.0 -52.2 18.3 90.5 43.6 153 153 A I H > S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.937 111.1 48.9 -52.6 -50.2 14.9 91.8 42.5 154 154 A A H > S+ 0 0 0 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.911 110.2 51.1 -57.4 -46.0 16.4 93.8 39.7 155 155 A L H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.959 110.5 48.0 -58.1 -51.8 18.4 90.8 38.5 156 156 A E H X S+ 0 0 47 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.872 110.1 53.1 -57.9 -37.3 15.4 88.6 38.4 157 157 A A H X S+ 0 0 25 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.922 111.2 46.1 -64.2 -42.8 13.4 91.3 36.5 158 158 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.860 109.0 55.7 -67.3 -35.5 16.2 91.5 33.9 159 159 A L H <>S+ 0 0 2 -4,-2.6 5,-3.0 2,-0.2 4,-0.4 0.913 108.0 48.3 -63.5 -40.5 16.3 87.7 33.7 160 160 A A H ><5S+ 0 0 78 -4,-2.1 3,-1.1 3,-0.2 -2,-0.2 0.926 110.0 53.1 -63.9 -43.8 12.6 87.7 32.9 161 161 A H H 3<5S+ 0 0 45 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.899 115.3 39.1 -57.0 -45.5 13.2 90.4 30.3 162 162 A F T 3<5S- 0 0 40 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.368 111.1-120.2 -88.1 4.3 15.9 88.3 28.5 163 163 A G T < 5 + 0 0 65 -3,-1.1 2,-0.3 -4,-0.4 -3,-0.2 0.887 59.4 155.2 59.1 41.0 14.0 85.1 29.0 164 164 A L < - 0 0 49 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.739 46.5-108.5-103.1 150.9 16.9 83.6 31.0 165 165 A R >> - 0 0 185 -2,-0.3 4,-0.8 1,-0.1 3,-0.6 -0.581 12.8-146.6 -78.7 132.1 16.6 80.8 33.6 166 166 A K G >4 S+ 0 0 127 -2,-0.3 3,-0.9 1,-0.2 -1,-0.1 0.892 99.5 61.3 -62.6 -39.2 17.1 81.7 37.2 167 167 A S G 34 S+ 0 0 113 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.815 108.4 42.8 -57.6 -32.5 18.8 78.4 37.9 168 168 A A G <4 S+ 0 0 60 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.569 118.2 45.9 -91.6 -10.3 21.5 79.2 35.4 169 169 A H S << S- 0 0 29 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.1 -0.562 74.7-177.7-134.2 72.4 21.9 82.8 36.6 170 170 A P - 0 0 73 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 -0.246 33.6-104.6 -66.9 156.5 22.1 83.0 40.4 171 171 A F + 0 0 53 3,-0.0 2,-0.3 4,-0.0 -19,-0.1 -0.750 56.3 142.2 -88.9 119.7 22.4 86.3 42.2 172 172 A R > - 0 0 130 -2,-0.6 3,-2.4 -21,-0.1 15,-0.2 -0.960 56.9 -98.0-154.6 136.3 25.8 87.1 43.6 173 173 A H T 3 S+ 0 0 40 -2,-0.3 15,-0.2 1,-0.3 -2,-0.0 -0.341 111.6 18.9 -57.3 129.2 27.7 90.3 43.8 174 174 A G T 3 S+ 0 0 37 13,-2.4 -1,-0.3 1,-0.3 14,-0.1 0.303 85.9 150.9 93.5 -9.5 30.2 90.5 40.9 175 175 A A < - 0 0 1 -3,-2.4 12,-2.0 12,-0.2 2,-0.4 -0.259 27.2-162.4 -57.8 142.1 28.4 87.8 38.8 176 176 A H E -E 186 0A 126 10,-0.2 10,-0.2 8,-0.0 -1,-0.0 -0.991 9.5-179.9-133.5 123.7 28.9 88.3 35.1 177 177 A Y E -E 185 0A 33 8,-2.7 8,-3.1 -2,-0.4 2,-0.2 -0.965 25.4-119.7-126.7 141.6 26.7 86.6 32.4 178 178 A P E -E 184 0A 102 0, 0.0 6,-0.2 0, 0.0 3,-0.0 -0.486 24.4-161.4 -79.0 147.6 26.8 86.8 28.6 179 179 A L E >> -E 183 0A 9 4,-2.8 4,-1.4 -2,-0.2 3,-0.6 -0.904 34.8 -81.2-125.2 154.4 23.9 88.1 26.5 180 180 A P T 34 S+ 0 0 91 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 -0.170 113.8 33.0 -53.1 144.6 23.1 87.6 22.8 181 181 A G T 34 S- 0 0 81 1,-0.2 3,-0.1 2,-0.1 0, 0.0 0.746 134.4 -67.6 79.7 23.7 25.0 90.0 20.5 182 182 A G T <4 S+ 0 0 64 -3,-0.6 -1,-0.2 1,-0.2 2,-0.1 0.765 96.9 142.3 67.7 25.2 28.1 90.1 22.7 183 183 A R E < - E 0 179A 77 -4,-1.4 -4,-2.8 -3,-0.4 2,-0.4 -0.418 39.8-132.0 -93.3 173.2 26.3 92.0 25.4 184 184 A H E -dE 146 178A 54 -39,-3.0 -37,-2.9 -6,-0.2 2,-0.5 -0.968 10.7-157.4-135.0 145.6 26.7 91.6 29.2 185 185 A L E -dE 147 177A 0 -8,-3.1 -8,-2.7 -2,-0.4 2,-0.3 -0.971 21.3-173.4-117.9 115.8 24.5 91.2 32.3 186 186 A L E -dE 148 176A 9 -39,-3.1 -37,-3.2 -2,-0.5 2,-0.4 -0.856 10.0-151.9-112.2 147.8 26.2 92.2 35.6 187 187 A A E +d 149 0A 1 -12,-2.0 -13,-2.4 -2,-0.3 2,-0.3 -0.952 19.1 166.0-120.7 138.2 24.9 91.8 39.1 188 188 A S E -d 150 0A 0 -39,-2.4 -37,-2.9 -2,-0.4 -33,-0.1 -0.953 43.9 -92.6-142.0 157.6 25.8 94.0 42.1 189 189 A Y - 0 0 65 -2,-0.3 -15,-0.0 -39,-0.2 2,-0.0 -0.383 57.9 -94.7 -65.8 155.2 24.4 94.5 45.5 190 190 A H - 0 0 28 -40,-0.2 -39,-0.1 1,-0.1 -1,-0.1 -0.329 25.7-121.9 -70.8 157.0 21.8 97.3 45.6 191 191 A V + 0 0 0 -41,-0.1 -111,-0.2 4,-0.1 5,-0.1 0.345 63.1 140.2 -82.6 6.6 22.9 100.8 46.6 192 192 A S >> - 0 0 27 1,-0.1 4,-2.3 3,-0.1 3,-2.0 -0.089 67.5-117.1 -51.2 147.1 20.5 101.0 49.5 193 193 A R H 3> S+ 0 0 147 1,-0.3 4,-2.3 2,-0.2 5,-0.4 0.821 116.5 64.3 -53.6 -33.1 21.6 102.6 52.8 194 194 A Q H 34 S+ 0 0 136 1,-0.2 -1,-0.3 2,-0.2 6,-0.2 0.753 110.1 36.8 -61.9 -29.5 21.0 99.1 54.3 195 195 A N H <4>S+ 0 0 28 -3,-2.0 6,-2.5 2,-0.1 5,-1.0 0.826 121.7 40.6 -93.4 -39.6 23.8 97.8 52.1 196 196 A T H ><5S+ 0 0 33 -4,-2.3 3,-0.6 4,-0.2 -3,-0.2 0.883 115.8 47.4 -79.6 -38.6 26.3 100.6 52.1 197 197 A Q T 3<5S+ 0 0 130 -4,-2.3 -1,-0.2 -5,-0.3 -3,-0.2 0.711 112.1 51.3 -76.3 -19.5 26.0 101.7 55.7 198 198 A T T 3 5S- 0 0 96 -5,-0.4 -1,-0.2 -4,-0.1 -2,-0.2 0.500 114.8-113.8 -93.4 -6.3 26.4 98.1 57.0 199 199 A G T < 5S+ 0 0 45 -3,-0.6 3,-0.2 2,-0.3 -3,-0.2 0.468 85.8 117.5 88.6 1.2 29.5 97.4 54.9 200 200 A R S - 0 0 54 -2,-0.5 4,-2.2 -3,-0.2 5,-0.2 -0.515 36.1-110.4 -95.4 166.7 31.4 99.6 50.0 203 203 A R H > S+ 0 0 169 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.904 121.3 53.4 -59.8 -39.2 32.3 102.6 47.8 204 204 A E H > S+ 0 0 160 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.931 107.8 49.6 -61.0 -47.5 35.3 100.6 46.6 205 205 A M H > S+ 0 0 57 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.895 114.2 43.8 -59.3 -44.9 33.2 97.7 45.6 206 206 A F H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.890 109.5 53.9 -72.8 -38.5 30.6 99.7 43.6 207 207 A L H X S+ 0 0 45 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.928 108.1 54.3 -59.6 -39.3 33.2 101.9 41.8 208 208 A E H X S+ 0 0 116 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.900 105.4 51.5 -59.3 -42.9 34.7 98.6 40.7 209 209 A V H X S+ 0 0 13 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.938 111.7 47.8 -59.3 -46.4 31.4 97.5 39.3 210 210 A L H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.896 111.4 49.0 -61.6 -43.1 31.2 100.8 37.4 211 211 A M H X S+ 0 0 91 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.872 112.3 49.2 -66.4 -34.7 34.7 100.5 36.1 212 212 A E H X S+ 0 0 54 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.906 109.0 52.2 -69.6 -41.6 34.0 96.9 35.0 213 213 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 6,-0.2 0.915 109.8 49.6 -60.8 -42.0 30.8 98.0 33.2 214 214 A K H X>S+ 0 0 42 -4,-2.2 5,-2.7 2,-0.2 4,-0.5 0.939 110.8 50.0 -61.4 -46.6 32.8 100.6 31.4 215 215 A R H ><5S+ 0 0 159 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.944 113.1 44.7 -57.0 -50.9 35.4 98.1 30.4 216 216 A L H 3<5S+ 0 0 36 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.754 111.4 54.5 -66.9 -24.6 32.8 95.6 29.1 217 217 A A H 3<5S- 0 0 0 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.468 116.4-111.8 -88.0 -2.9 31.0 98.4 27.3 218 218 A G T <<5 0 0 48 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.651 360.0 360.0 81.5 14.3 34.1 99.5 25.4 219 219 A L < 0 0 104 -5,-2.7 -4,-0.2 -6,-0.2 -5,-0.1 0.116 360.0 360.0 -96.3 360.0 34.2 102.8 27.3