==== 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 07-MAY-06 2DP6 . 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,S.KURAMITSU,J.HOSEKI,RIKEN STRUC . 219 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10941.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 65.3 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 . 11 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 28.8 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 0 129 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.8 -27.8 -29.8 26.2 2 2 A D > - 0 0 97 1,-0.1 4,-2.1 4,-0.0 3,-0.1 -0.300 360.0 -89.7 -90.0-179.6 -25.1 -32.4 25.6 3 3 A R H > S+ 0 0 102 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.861 123.9 57.1 -61.8 -38.0 -23.9 -33.7 22.2 4 4 A E H > S+ 0 0 157 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.930 110.8 44.3 -59.1 -44.3 -26.5 -36.5 22.0 5 5 A A H > S+ 0 0 32 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.878 112.5 53.1 -66.5 -39.7 -29.3 -34.0 22.4 6 6 A F H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.955 111.8 43.8 -60.4 -52.3 -27.7 -31.6 19.9 7 7 A V H X S+ 0 0 43 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.911 114.7 50.0 -61.2 -43.1 -27.4 -34.2 17.2 8 8 A Q H X S+ 0 0 123 -4,-2.2 4,-0.7 -5,-0.3 -2,-0.2 0.945 117.3 38.2 -62.3 -50.2 -30.9 -35.6 17.8 9 9 A T H >< S+ 0 0 53 -4,-2.7 3,-0.5 2,-0.2 4,-0.3 0.886 115.5 53.4 -70.7 -38.2 -32.6 -32.2 17.7 10 10 A L H >< S+ 0 0 1 -4,-2.9 3,-2.0 -5,-0.3 -2,-0.2 0.942 104.7 54.1 -60.9 -49.2 -30.5 -30.8 14.9 11 11 A T H 3< S+ 0 0 35 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.715 108.4 50.8 -60.0 -20.3 -31.2 -33.8 12.6 12 12 A A T << S+ 0 0 67 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.410 83.7 124.3 -97.4 1.8 -34.9 -33.2 13.0 13 13 A C < + 0 0 22 -3,-2.0 -3,-0.1 -4,-0.3 3,-0.0 -0.377 24.7 164.2 -68.1 137.1 -34.7 -29.5 12.2 14 14 A R + 0 0 169 -2,-0.1 -1,-0.1 1,-0.0 6,-0.1 -0.098 29.5 127.8-142.5 35.8 -36.9 -28.1 9.3 15 15 A L + 0 0 84 1,-0.2 -1,-0.0 2,-0.1 -2,-0.0 0.794 65.7 60.2 -66.8 -30.9 -36.7 -24.4 9.9 16 16 A C >> - 0 0 21 1,-0.2 4,-2.7 110,-0.1 3,-0.7 -0.809 64.2-170.4-104.8 96.3 -35.7 -23.5 6.3 17 17 A P H 3> S+ 0 0 106 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.838 86.2 54.5 -52.5 -37.8 -38.3 -24.7 3.8 18 18 A R H 3> S+ 0 0 93 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.874 114.7 40.4 -66.1 -35.5 -36.1 -24.0 0.8 19 19 A L H <> S+ 0 0 4 -3,-0.7 4,-2.6 2,-0.2 5,-0.2 0.827 109.4 57.1 -82.2 -34.8 -33.3 -26.1 2.2 20 20 A V H X S+ 0 0 21 -4,-2.7 4,-0.5 2,-0.2 -2,-0.2 0.904 115.3 41.9 -60.4 -37.5 -35.5 -28.9 3.6 21 21 A A H >X S+ 0 0 59 -4,-1.8 4,-2.5 -5,-0.3 3,-1.0 0.958 114.7 47.8 -73.0 -52.8 -36.7 -29.1 -0.1 22 22 A W H 3X S+ 0 0 67 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.869 101.5 62.8 -59.1 -41.6 -33.3 -28.8 -1.8 23 23 A R H 3< S+ 0 0 15 -4,-2.6 -1,-0.2 93,-0.2 -2,-0.2 0.785 115.9 33.3 -58.9 -25.4 -31.5 -31.4 0.3 24 24 A E H X< S+ 0 0 118 -3,-1.0 3,-1.3 -4,-0.5 -1,-0.2 0.783 110.2 65.4 -96.4 -34.6 -33.9 -34.1 -0.9 25 25 A E H 3< S+ 0 0 101 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.846 99.0 53.7 -54.8 -38.1 -34.3 -32.6 -4.4 26 26 A V T >< S+ 0 0 3 -4,-2.1 3,-2.3 -5,-0.1 4,-0.4 0.653 78.5 114.9 -76.2 -14.1 -30.7 -33.2 -5.3 27 27 A V T < S+ 0 0 44 -3,-1.3 7,-0.1 1,-0.3 36,-0.1 -0.390 89.3 8.6 -60.5 122.4 -30.8 -36.9 -4.4 28 28 A G T 3 S+ 0 0 10 -2,-0.2 -1,-0.3 2,-0.1 6,-0.1 0.363 97.8 108.5 89.3 -5.0 -30.2 -38.8 -7.6 29 29 A R < + 0 0 143 -3,-2.3 2,-0.6 1,-0.1 -2,-0.1 0.633 63.9 71.9 -80.9 -13.6 -29.3 -35.8 -9.7 30 30 A K S >> S- 0 0 90 -4,-0.4 3,-1.8 1,-0.1 4,-0.7 -0.916 76.3-144.3-106.6 118.3 -25.6 -36.7 -9.9 31 31 A R G >4 S+ 0 0 238 -2,-0.6 3,-1.1 1,-0.3 -1,-0.1 0.837 94.7 60.5 -44.2 -49.9 -24.9 -39.6 -12.2 32 32 A A G 34 S+ 0 0 62 1,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.767 116.7 31.8 -54.7 -27.4 -22.0 -41.1 -10.2 33 33 A F G X4 S+ 0 0 36 -3,-1.8 3,-2.3 3,-0.1 -1,-0.2 0.336 79.1 136.4-116.3 7.3 -24.3 -41.6 -7.2 34 34 A R T << S+ 0 0 182 -3,-1.1 -7,-0.0 -4,-0.7 -5,-0.0 -0.305 76.7 22.5 -59.0 136.6 -27.8 -42.3 -8.6 35 35 A G T 3 S+ 0 0 83 1,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.250 99.1 117.8 92.0 -13.2 -29.4 -45.1 -6.7 36 36 A E S < S- 0 0 81 -3,-2.3 -1,-0.3 1,-0.1 2,-0.2 -0.523 73.7 -98.4 -87.2 154.7 -27.2 -44.6 -3.6 37 37 A P - 0 0 119 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.490 37.1-157.4 -73.6 139.5 -28.5 -43.6 -0.2 38 38 A Y - 0 0 25 -2,-0.2 29,-0.2 1,-0.1 30,-0.2 -0.950 20.2-142.6-117.8 139.3 -28.3 -39.9 0.7 39 39 A W + 0 0 66 28,-1.2 28,-0.2 -2,-0.4 -1,-0.1 0.948 31.3 175.2 -60.6 -49.5 -28.3 -38.4 4.2 40 40 A A + 0 0 13 26,-3.2 27,-0.1 1,-0.2 26,-0.1 0.862 44.1 95.0 41.3 51.0 -30.4 -35.5 2.9 41 41 A R S S- 0 0 110 25,-0.2 75,-0.2 73,-0.1 -1,-0.2 -0.908 89.6 -57.1-153.9 172.8 -30.7 -34.1 6.4 42 42 A P - 0 0 1 0, 0.0 73,-0.2 0, 0.0 72,-0.0 -0.318 57.5-125.5 -59.1 142.7 -29.0 -31.5 8.6 43 43 A V - 0 0 7 71,-2.5 68,-0.2 -33,-0.1 2,-0.1 -0.828 17.2-147.0 -99.4 116.4 -25.3 -32.3 8.9 44 44 A P - 0 0 17 0, 0.0 -37,-0.0 0, 0.0 -38,-0.0 -0.468 30.3 -99.8 -76.0 152.2 -23.8 -32.6 12.5 45 45 A G - 0 0 2 -2,-0.1 2,-0.4 25,-0.1 65,-0.2 -0.223 36.7-146.6 -66.8 164.1 -20.2 -31.5 13.0 46 46 A F E +A 109 0A 44 63,-2.3 63,-3.2 2,-0.1 2,-0.3 -0.989 42.6 46.8-137.9 141.7 -17.5 -34.1 13.2 47 47 A G E S-A 108 0A 26 -2,-0.4 61,-0.3 61,-0.2 58,-0.1 -0.890 85.4 -4.4 135.5-165.8 -14.2 -34.3 15.1 48 48 A D > - 0 0 44 59,-2.5 3,-2.1 -2,-0.3 57,-0.1 -0.550 44.2-155.0 -72.0 114.8 -12.5 -33.9 18.5 49 49 A P T 3 S+ 0 0 77 0, 0.0 94,-0.4 0, 0.0 -1,-0.2 0.761 100.3 50.3 -63.4 -20.0 -14.9 -32.7 21.1 50 50 A E T 3 S+ 0 0 106 92,-0.1 91,-0.1 57,-0.1 -2,-0.1 0.080 86.9 151.5-101.4 21.4 -11.9 -31.3 23.0 51 51 A A < - 0 0 0 -3,-2.1 56,-0.2 1,-0.1 92,-0.2 -0.166 38.3-165.4 -56.9 143.3 -10.6 -29.6 19.8 52 52 A R S S+ 0 0 74 54,-1.5 93,-2.9 92,-0.2 94,-2.3 0.528 79.9 57.9-100.7 -14.8 -8.5 -26.5 20.1 53 53 A I E -bc 107 146A 1 53,-2.2 55,-1.9 91,-0.2 2,-0.5 -0.972 64.7-168.0-122.3 129.9 -9.0 -25.8 16.4 54 54 A L E -bc 108 147A 0 92,-2.6 94,-3.4 -2,-0.4 2,-0.7 -0.971 7.2-158.8-116.9 124.1 -12.4 -25.3 14.7 55 55 A L E -bc 109 148A 0 53,-2.6 55,-1.9 -2,-0.5 2,-0.6 -0.925 15.5-160.0-101.5 118.5 -12.6 -25.3 10.8 56 56 A F E -bc 110 149A 0 92,-3.2 94,-2.9 -2,-0.7 55,-0.3 -0.888 10.5-171.8-108.0 111.0 -15.8 -23.6 9.9 57 57 A G E -b 111 0A 0 53,-3.3 55,-1.8 -2,-0.6 56,-0.1 -0.026 29.3-111.6 -88.6-167.2 -17.2 -24.2 6.5 58 58 A L S S- 0 0 35 1,-0.3 55,-1.7 53,-0.2 53,-0.1 0.929 70.9 -56.3 -91.2 -62.4 -20.1 -22.7 4.4 59 59 A A - 0 0 24 53,-0.2 -1,-0.3 52,-0.1 55,-0.2 -0.968 66.8 -59.6-172.9 170.7 -22.7 -25.4 4.0 60 60 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 60,-0.1 -0.371 49.0-125.9 -66.2 143.4 -23.2 -29.0 2.9 61 61 A G > > - 0 0 16 55,-0.1 5,-1.7 1,-0.1 3,-1.5 -0.708 24.3-116.7 -85.9 143.5 -22.4 -29.8 -0.7 62 62 A A T 3 5S+ 0 0 20 -2,-0.3 -22,-0.2 1,-0.3 -1,-0.1 0.830 114.5 22.1 -47.6 -42.1 -25.4 -31.4 -2.6 63 63 A H T 3 5S+ 0 0 42 3,-0.1 -1,-0.3 4,-0.1 5,-0.0 0.153 122.1 64.6-114.9 16.7 -23.4 -34.6 -3.2 64 64 A G T X>5S- 0 0 1 -3,-1.5 4,-2.8 3,-0.1 3,-1.6 0.510 122.3 -11.6-102.6-112.8 -20.9 -34.1 -0.4 65 65 A S H 3>5S+ 0 0 7 1,-0.3 4,-2.5 2,-0.2 -26,-0.1 0.789 131.3 65.6 -64.4 -25.5 -21.9 -34.2 3.2 66 66 A N H 34 S- 0 0 23 3,-0.3 3,-1.9 -6,-0.2 -1,-0.2 -0.993 84.4 -94.5-129.8 134.4 -20.2 -36.1 7.5 71 71 A P T 3 S- 0 0 10 0, 0.0 3,-0.1 0, 0.0 38,-0.0 -0.084 104.3 -3.9 -45.4 136.3 -18.7 -32.7 6.9 72 72 A F T 3 S+ 0 0 24 1,-0.2 2,-0.5 2,-0.1 3,-0.3 0.687 100.2 138.2 50.9 25.5 -16.5 -32.4 3.8 73 73 A T < + 0 0 1 -3,-1.9 -5,-0.5 1,-0.2 -3,-0.3 -0.875 58.3 13.0-109.0 124.8 -16.9 -36.0 3.1 74 74 A G S S+ 0 0 32 -2,-0.5 2,-0.2 1,-0.3 -1,-0.2 0.585 107.1 76.5 98.0 10.4 -17.6 -37.4 -0.4 75 75 A D S > S- 0 0 47 -3,-0.3 4,-1.9 1,-0.0 -1,-0.3 -0.818 93.3 -85.6-140.7-177.9 -16.7 -34.4 -2.6 76 76 A A H > S+ 0 0 43 -2,-0.2 4,-1.1 1,-0.2 5,-0.2 0.789 120.6 59.0 -62.2 -31.4 -13.8 -32.3 -4.0 77 77 A S H > S+ 0 0 15 1,-0.2 4,-3.0 2,-0.2 3,-0.4 0.939 109.4 43.3 -64.6 -45.6 -13.5 -30.2 -0.9 78 78 A G H > S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.853 106.2 60.4 -68.1 -35.0 -12.9 -33.2 1.2 79 79 A A H < S+ 0 0 64 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.798 115.9 36.5 -61.6 -27.5 -10.5 -34.8 -1.3 80 80 A F H X S+ 0 0 26 -4,-1.1 4,-1.1 -3,-0.4 -2,-0.2 0.897 121.5 43.9 -87.9 -50.3 -8.4 -31.6 -0.8 81 81 A L H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -3,-0.2 0.919 106.4 53.1 -65.3 -52.9 -9.0 -31.0 2.9 82 82 A Y H X S+ 0 0 3 -4,-2.1 4,-2.0 -10,-0.2 5,-0.2 0.897 106.3 51.2 -59.2 -42.9 -8.6 -34.4 4.6 83 83 A P H > S+ 0 0 26 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.934 111.5 49.9 -61.1 -39.4 -5.2 -35.4 3.2 84 84 A L H X S+ 0 0 1 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.858 104.7 57.0 -65.7 -34.9 -3.9 -32.0 4.4 85 85 A L H <>S+ 0 0 0 -4,-2.0 5,-2.7 1,-0.2 6,-0.3 0.942 111.0 44.8 -60.3 -42.7 -5.3 -32.5 7.9 86 86 A H H ><5S+ 0 0 73 -4,-2.0 3,-1.7 1,-0.2 5,-0.2 0.896 109.1 54.3 -68.2 -39.8 -3.3 -35.7 8.1 87 87 A E H 3<5S+ 0 0 107 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.808 107.4 52.7 -62.8 -28.8 -0.2 -34.1 6.6 88 88 A A T 3<5S- 0 0 4 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.426 120.4-111.5 -85.7 -0.7 -0.5 -31.5 9.4 89 89 A G T < 5S+ 0 0 48 -3,-1.7 -3,-0.2 -4,-0.1 -2,-0.1 0.785 85.3 119.0 75.5 29.2 -0.7 -34.3 12.0 90 90 A L < + 0 0 3 -5,-2.7 15,-2.5 -6,-0.2 2,-0.3 0.225 65.8 39.3-111.2 13.9 -4.3 -33.5 12.9 91 91 A S B S-F 104 0B 6 -6,-0.3 13,-0.2 13,-0.3 -2,-0.1 -0.989 73.5-116.9-157.9 164.2 -6.0 -36.8 11.9 92 92 A S S S+ 0 0 40 11,-2.6 12,-0.1 -2,-0.3 -1,-0.1 0.748 94.7 2.9 -76.4 -27.4 -5.6 -40.6 12.0 93 93 A K S S- 0 0 50 10,-0.3 -1,-0.2 2,-0.1 -7,-0.1 -0.989 70.5-110.5-157.4 157.6 -5.6 -41.2 8.2 94 94 A P S S+ 0 0 56 0, 0.0 2,-0.3 0, 0.0 -8,-0.2 0.784 92.5 60.2 -60.1 -35.0 -5.7 -39.2 4.9 95 95 A E - 0 0 97 -13,-0.1 2,-0.5 -12,-0.1 -2,-0.1 -0.692 63.7-149.0-105.4 154.7 -9.1 -40.1 3.7 96 96 A S + 0 0 10 -2,-0.3 -22,-0.3 -24,-0.1 -14,-0.1 -0.979 21.0 171.3-120.5 119.4 -12.6 -39.7 5.1 97 97 A L > - 0 0 103 -2,-0.5 3,-2.3 -24,-0.1 5,-0.3 -0.988 41.7-102.3-127.2 135.7 -15.3 -42.3 4.3 98 98 A P T 3 S+ 0 0 72 0, 0.0 3,-0.1 0, 0.0 -29,-0.1 -0.301 108.4 16.4 -57.7 137.7 -18.7 -42.4 5.9 99 99 A G T 3 S+ 0 0 78 1,-0.2 -3,-0.0 3,-0.1 0, 0.0 0.402 99.2 123.0 81.3 -3.8 -18.8 -45.1 8.6 100 100 A D S < S- 0 0 39 -3,-2.3 -1,-0.2 1,-0.1 -4,-0.0 -0.047 74.5-106.7 -79.0-171.4 -15.0 -45.4 8.9 101 101 A D + 0 0 121 -3,-0.1 -1,-0.1 2,-0.1 -9,-0.1 0.006 56.9 156.0-106.9 28.3 -12.9 -45.0 12.0 102 102 A L - 0 0 4 -5,-0.3 2,-0.4 -10,-0.1 -55,-0.1 -0.291 22.1-165.9 -58.2 133.3 -11.4 -41.6 11.1 103 103 A R - 0 0 167 -10,-0.0 -11,-2.6 -55,-0.0 2,-0.4 -0.966 9.4-149.1-122.9 139.0 -10.3 -39.6 14.2 104 104 A L B -F 91 0B 8 -2,-0.4 2,-0.7 -13,-0.2 -13,-0.3 -0.910 11.8-143.7-107.4 136.7 -9.4 -36.0 14.2 105 105 A Y S S- 0 0 120 -15,-2.5 3,-0.1 -2,-0.4 -2,-0.0 -0.850 77.0 -21.0-107.7 103.6 -6.8 -34.8 16.7 106 106 A G S S+ 0 0 10 -2,-0.7 -53,-2.2 1,-0.2 -54,-1.5 0.532 116.6 99.8 81.1 8.4 -7.4 -31.4 18.2 107 107 A V E - b 0 53A 0 -17,-0.2 -59,-2.5 -56,-0.2 2,-0.4 -0.964 47.6-171.7-131.3 144.7 -9.7 -30.4 15.3 108 108 A Y E -Ab 47 54A 4 -55,-1.9 -53,-2.6 -2,-0.4 2,-0.4 -0.989 12.2-149.5-134.2 142.9 -13.5 -30.2 14.8 109 109 A L E +Ab 46 55A 0 -63,-3.2 -63,-2.3 -2,-0.4 2,-0.2 -0.939 32.5 123.8-120.5 133.5 -15.4 -29.5 11.6 110 110 A T E - b 0 56A 5 -55,-1.9 -53,-3.3 -2,-0.4 2,-0.3 -0.860 36.0-127.9-160.1-166.6 -18.7 -27.9 11.0 111 111 A A E - b 0 57A 13 -55,-0.3 -53,-0.2 -2,-0.2 -52,-0.1 -0.953 26.6-104.6-152.7 171.1 -20.3 -25.0 9.0 112 112 A A S S+ 0 0 2 -55,-1.8 2,-0.4 -2,-0.3 22,-0.2 0.856 109.6 31.6 -66.6 -39.5 -22.5 -21.9 9.0 113 113 A V - 0 0 2 -55,-1.7 -1,-0.1 -56,-0.1 14,-0.1 -0.948 66.8-160.4-120.9 142.8 -25.5 -23.6 7.4 114 114 A R + 0 0 4 -2,-0.4 -71,-2.5 -55,-0.2 2,-0.4 0.399 68.6 65.1-109.2 4.7 -26.2 -27.3 8.0 115 115 A C S S- 0 0 17 -73,-0.2 -95,-0.1 -55,-0.1 -53,-0.1 -0.986 94.5 -95.2-128.0 137.0 -28.5 -28.2 5.0 116 116 A A - 0 0 0 -2,-0.4 -93,-0.2 -75,-0.2 -55,-0.1 -0.221 43.7-153.8 -51.5 123.6 -27.5 -28.2 1.4 117 117 A P > - 0 0 2 0, 0.0 3,-2.2 0, 0.0 -55,-0.2 -0.818 24.2 -96.4-106.6 145.6 -28.4 -24.9 -0.2 118 118 A P G > S+ 0 0 20 0, 0.0 3,-1.8 0, 0.0 -95,-0.0 -0.297 109.9 1.5 -55.9 135.0 -29.2 -24.2 -3.9 119 119 A K G 3 S- 0 0 186 1,-0.3 -3,-0.0 -3,-0.0 0, 0.0 0.676 119.7 -81.9 59.4 19.4 -26.1 -22.8 -5.7 120 120 A N G < S+ 0 0 86 -3,-2.2 -1,-0.3 1,-0.1 -59,-0.0 0.847 105.0 119.9 55.7 34.6 -24.2 -23.2 -2.5 121 121 A K < - 0 0 126 -3,-1.8 -1,-0.1 32,-0.0 2,-0.1 -0.806 47.0-165.3-134.7 93.1 -25.7 -19.9 -1.5 122 122 A P - 0 0 2 0, 0.0 -6,-0.0 0, 0.0 -9,-0.0 -0.416 26.5-114.2 -73.8 154.6 -27.8 -19.7 1.7 123 123 A T > - 0 0 48 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.412 26.3-106.6 -83.5 164.8 -30.0 -16.6 2.2 124 124 A P H > S+ 0 0 88 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.886 123.2 52.0 -58.2 -36.3 -29.4 -14.2 5.0 125 125 A E H > S+ 0 0 139 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.880 108.2 49.5 -67.5 -38.7 -32.6 -15.6 6.7 126 126 A E H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.886 111.2 49.9 -68.0 -37.8 -31.3 -19.2 6.4 127 127 A L H X S+ 0 0 44 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.922 110.7 49.8 -65.4 -43.6 -28.0 -18.1 7.9 128 128 A R H < S+ 0 0 167 -4,-2.3 4,-0.4 -5,-0.2 -2,-0.2 0.874 111.8 49.6 -62.8 -36.9 -29.8 -16.4 10.8 129 129 A A H >< S+ 0 0 16 -4,-2.1 3,-1.4 1,-0.2 4,-0.3 0.963 113.1 43.1 -67.1 -52.2 -31.8 -19.5 11.4 130 130 A C H >X S+ 0 0 14 -4,-2.5 4,-1.4 1,-0.3 3,-1.2 0.654 93.9 81.2 -70.9 -14.6 -29.0 -22.0 11.5 131 131 A A H 3X S+ 0 0 40 -4,-1.4 4,-2.0 1,-0.3 -1,-0.3 0.770 82.3 66.4 -61.5 -23.1 -26.9 -19.6 13.6 132 132 A R H <> S+ 0 0 138 -3,-1.4 4,-1.7 -4,-0.4 -1,-0.3 0.864 101.5 46.9 -66.1 -34.0 -28.9 -21.0 16.5 133 133 A W H <> S+ 0 0 27 -3,-1.2 4,-3.4 -4,-0.3 5,-0.2 0.817 106.3 58.1 -75.5 -31.0 -27.2 -24.3 15.9 134 134 A T H X S+ 0 0 6 -4,-1.4 4,-2.9 2,-0.2 5,-0.3 0.913 105.7 51.1 -63.7 -39.6 -23.8 -22.6 15.7 135 135 A E H X S+ 0 0 94 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.943 114.6 42.0 -62.3 -47.2 -24.5 -21.3 19.2 136 136 A V H X S+ 0 0 41 -4,-1.7 4,-0.7 2,-0.2 -2,-0.2 0.939 118.0 45.8 -64.9 -48.1 -25.3 -24.7 20.5 137 137 A E H >< S+ 0 0 0 -4,-3.4 3,-1.0 1,-0.2 -2,-0.2 0.917 113.7 45.8 -64.6 -46.7 -22.5 -26.5 18.7 138 138 A L H >< S+ 0 0 9 -4,-2.9 3,-1.5 1,-0.3 -1,-0.2 0.803 106.4 62.3 -67.8 -25.4 -19.7 -24.1 19.5 139 139 A G H 3< S+ 0 0 60 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.737 99.5 55.5 -69.7 -20.7 -21.0 -24.1 23.0 140 140 A L T << S+ 0 0 47 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.350 95.3 70.7 -91.5 4.1 -20.1 -27.9 23.0 141 141 A L X + 0 0 7 -3,-1.5 3,-1.1 1,-0.1 -1,-0.2 -0.658 57.1 163.5-121.6 73.5 -16.5 -27.1 22.0 142 142 A P T 3 + 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -92,-0.1 0.664 68.6 56.3 -64.7 -22.4 -15.1 -25.6 25.2 143 143 A E T 3 S+ 0 0 81 -94,-0.4 2,-0.2 -92,-0.2 -93,-0.1 0.446 71.8 128.1 -94.7 1.0 -11.4 -26.0 24.3 144 144 A V < + 0 0 6 -3,-1.1 -92,-0.2 -6,-0.2 -91,-0.2 -0.379 19.5 162.5 -64.0 127.5 -11.4 -24.1 21.0 145 145 A R + 0 0 105 -93,-2.9 39,-3.0 1,-0.3 2,-0.5 0.594 65.8 45.8-114.1 -25.6 -8.7 -21.5 20.8 146 146 A V E -cd 53 184A 0 -94,-2.3 -92,-2.6 37,-0.2 2,-0.6 -0.974 62.7-165.7-128.7 119.5 -8.5 -20.9 17.1 147 147 A Y E -cd 54 185A 9 37,-3.1 39,-2.8 -2,-0.5 2,-0.7 -0.914 10.4-160.6-104.5 116.8 -11.6 -20.5 14.8 148 148 A V E -cd 55 186A 0 -94,-3.4 -92,-3.2 -2,-0.6 2,-0.5 -0.872 4.8-151.9-104.3 114.0 -10.8 -20.9 11.1 149 149 A A E -cd 56 187A 0 37,-3.3 39,-2.3 -2,-0.7 2,-1.1 -0.716 4.0-153.9 -84.4 121.7 -13.3 -19.4 8.7 150 150 A L E - d 0 188A 0 -94,-2.9 4,-0.4 -2,-0.5 40,-0.2 -0.790 66.4 -17.0 -96.9 92.5 -13.2 -21.2 5.4 151 151 A G S > S- 0 0 7 37,-2.9 4,-2.2 -2,-1.1 5,-0.1 -0.134 89.1 -70.2 100.1 164.1 -14.5 -18.5 3.0 152 152 A R H > S+ 0 0 141 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.910 127.6 50.8 -59.8 -48.9 -16.3 -15.2 3.3 153 153 A I H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.932 111.0 49.7 -57.7 -45.4 -19.7 -16.6 4.3 154 154 A A H > S+ 0 0 0 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.917 111.4 49.7 -60.0 -43.6 -18.0 -18.6 7.1 155 155 A L H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.953 110.0 48.5 -61.8 -50.0 -16.1 -15.5 8.3 156 156 A E H X S+ 0 0 60 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.841 110.3 53.8 -60.4 -31.5 -19.2 -13.3 8.4 157 157 A A H X S+ 0 0 25 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.897 110.6 45.2 -69.2 -40.3 -21.0 -16.0 10.3 158 158 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.876 108.9 56.3 -70.5 -37.2 -18.3 -16.2 12.9 159 159 A L H <>S+ 0 0 2 -4,-2.7 5,-3.1 1,-0.2 4,-0.5 0.921 108.3 48.1 -59.9 -41.9 -18.2 -12.4 13.2 160 160 A A H ><5S+ 0 0 78 -4,-1.8 3,-0.7 3,-0.2 -1,-0.2 0.890 110.0 52.8 -64.5 -39.5 -21.9 -12.5 14.0 161 161 A H H 3<5S+ 0 0 46 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.893 115.9 39.1 -62.1 -41.5 -21.3 -15.2 16.5 162 162 A F T 3<5S- 0 0 40 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.375 111.5-119.0 -91.3 3.8 -18.6 -13.2 18.3 163 163 A G T < 5 + 0 0 60 -3,-0.7 2,-0.3 -4,-0.5 -3,-0.2 0.871 61.2 152.7 61.4 38.0 -20.4 -9.9 17.9 164 164 A L < - 0 0 46 -5,-3.1 2,-0.3 -6,-0.2 -1,-0.2 -0.746 46.9-112.3-102.4 149.2 -17.7 -8.4 15.8 165 165 A R >> - 0 0 189 -2,-0.3 4,-0.7 1,-0.1 3,-0.6 -0.608 10.9-143.9 -82.2 135.1 -18.0 -5.7 13.1 166 166 A K G >4 S+ 0 0 125 -2,-0.3 3,-1.0 1,-0.2 -1,-0.1 0.879 99.8 63.2 -62.2 -38.8 -17.4 -6.6 9.5 167 167 A S G 34 S+ 0 0 116 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.832 108.3 41.4 -56.0 -34.4 -15.9 -3.2 8.8 168 168 A A G <4 S+ 0 0 60 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.542 118.5 47.0 -91.9 -8.4 -13.1 -4.0 11.3 169 169 A H S << S- 0 0 29 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.1 -0.574 74.7-177.6-134.9 73.6 -12.7 -7.6 10.2 170 170 A P - 0 0 73 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 -0.282 33.2-105.5 -69.1 155.3 -12.5 -7.8 6.3 171 171 A F + 0 0 52 3,-0.0 2,-0.3 4,-0.0 -19,-0.1 -0.738 55.8 143.4 -88.1 118.7 -12.2 -11.2 4.5 172 172 A R > - 0 0 127 -2,-0.6 3,-2.2 -21,-0.1 15,-0.2 -0.977 57.1 -98.3-150.4 140.3 -8.7 -11.8 3.1 173 173 A H T 3 S+ 0 0 40 -2,-0.3 15,-0.2 1,-0.3 -2,-0.0 -0.440 112.6 20.1 -62.3 128.0 -6.8 -15.1 2.9 174 174 A G T 3 S+ 0 0 34 13,-2.6 -1,-0.3 1,-0.3 14,-0.1 0.386 86.5 151.7 94.3 -4.0 -4.4 -15.2 5.9 175 175 A A < - 0 0 1 -3,-2.2 12,-2.3 12,-0.3 2,-0.4 -0.294 24.9-166.2 -60.7 146.1 -6.3 -12.6 7.9 176 176 A H E -E 186 0A 115 10,-0.2 10,-0.2 8,-0.0 -1,-0.0 -0.970 7.5-179.2-141.3 121.5 -5.8 -13.1 11.7 177 177 A Y E -E 185 0A 33 8,-3.2 8,-3.1 -2,-0.4 2,-0.2 -0.942 26.9-116.9-123.3 143.4 -7.9 -11.4 14.4 178 178 A P E -E 184 0A 103 0, 0.0 6,-0.2 0, 0.0 3,-0.0 -0.489 26.5-160.8 -78.4 146.4 -7.7 -11.6 18.2 179 179 A L E >> -E 183 0A 8 4,-2.6 4,-1.4 -2,-0.2 3,-0.7 -0.915 34.0 -81.6-124.3 152.9 -10.6 -13.0 20.2 180 180 A P T 34 S+ 0 0 91 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.149 113.3 31.8 -51.4 142.0 -11.4 -12.5 23.9 181 181 A G T 34 S- 0 0 83 1,-0.2 3,-0.1 2,-0.1 0, 0.0 0.701 134.5 -66.6 82.3 19.8 -9.5 -14.8 26.2 182 182 A G T <4 S+ 0 0 64 -3,-0.7 -1,-0.2 1,-0.2 2,-0.1 0.743 97.5 141.0 72.9 22.9 -6.4 -15.0 24.1 183 183 A R E < - E 0 179A 75 -4,-1.4 -4,-2.6 -3,-0.3 2,-0.4 -0.358 40.7-131.4 -91.4 175.4 -8.2 -16.8 21.3 184 184 A H E -dE 146 178A 52 -39,-3.0 -37,-3.1 -6,-0.2 2,-0.5 -0.982 11.3-158.0-137.7 144.1 -7.8 -16.4 17.5 185 185 A L E -dE 147 177A 0 -8,-3.1 -8,-3.2 -2,-0.4 2,-0.3 -0.973 21.8-175.0-117.4 116.2 -10.0 -15.9 14.4 186 186 A L E -dE 148 176A 9 -39,-2.8 -37,-3.3 -2,-0.5 2,-0.4 -0.868 11.3-150.0-113.3 148.0 -8.3 -16.9 11.2 187 187 A A E +d 149 0A 1 -12,-2.3 -13,-2.6 -2,-0.3 2,-0.3 -0.943 19.2 168.0-119.0 139.4 -9.6 -16.5 7.6 188 188 A S E -d 150 0A 0 -39,-2.3 -37,-2.9 -2,-0.4 -33,-0.1 -0.955 43.5 -93.7-141.5 156.8 -8.8 -18.7 4.7 189 189 A Y - 0 0 68 -2,-0.3 2,-0.0 -39,-0.2 -15,-0.0 -0.417 58.2 -95.3 -65.4 153.1 -10.2 -19.1 1.2 190 190 A H - 0 0 28 -40,-0.2 -1,-0.1 1,-0.1 -39,-0.1 -0.350 26.8-121.2 -69.5 154.7 -12.7 -21.9 1.2 191 191 A V + 0 0 0 4,-0.1 -111,-0.2 -3,-0.1 -110,-0.1 0.341 63.1 141.0 -80.9 8.1 -11.5 -25.4 0.1 192 192 A S >> - 0 0 26 1,-0.1 3,-2.6 2,-0.1 4,-2.4 -0.095 65.6-116.5 -51.9 146.4 -14.0 -25.6 -2.8 193 193 A R H 3> S+ 0 0 140 1,-0.3 4,-2.6 2,-0.2 5,-0.4 0.834 115.6 61.5 -53.7 -34.9 -12.9 -27.1 -6.0 194 194 A Q H 34 S+ 0 0 136 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.548 111.2 39.0 -75.3 -0.7 -13.4 -23.8 -7.7 195 195 A N H <4>S+ 0 0 26 -3,-2.6 6,-2.4 5,-0.1 5,-1.1 0.713 122.5 39.1-108.3 -41.0 -10.7 -22.3 -5.4 196 196 A T H <5S+ 0 0 33 -4,-2.4 3,-0.3 4,-0.2 -3,-0.2 0.839 116.6 47.3 -81.2 -35.4 -8.3 -25.2 -5.4 197 197 A Q T <5S+ 0 0 132 -4,-2.6 -1,-0.2 -5,-0.3 -3,-0.2 0.717 112.0 51.7 -79.7 -20.0 -8.5 -26.3 -9.0 198 198 A T T 5S- 0 0 93 -5,-0.4 -1,-0.2 3,-0.1 -2,-0.2 0.527 115.8-113.3 -91.6 -8.4 -8.1 -22.8 -10.3 199 199 A G T 5S+ 0 0 44 -3,-0.3 3,-0.2 2,-0.3 -3,-0.2 0.451 85.3 118.9 90.6 0.7 -5.0 -22.2 -8.2 200 200 A R S - 0 0 54 -2,-0.5 4,-2.4 -3,-0.2 5,-0.2 -0.520 35.7-110.6 -96.9 166.9 -3.1 -24.3 -3.2 203 203 A R H > S+ 0 0 169 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.913 121.2 54.3 -60.4 -41.7 -2.2 -27.3 -1.0 204 204 A E H > S+ 0 0 162 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.930 108.9 48.0 -57.0 -47.9 0.8 -25.3 0.1 205 205 A M H > S+ 0 0 57 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.901 114.2 44.2 -61.4 -45.4 -1.3 -22.4 1.2 206 206 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.882 109.7 54.3 -71.8 -36.2 -3.9 -24.4 3.1 207 207 A L H X S+ 0 0 45 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.912 107.1 54.1 -61.9 -37.6 -1.4 -26.5 4.8 208 208 A E H X S+ 0 0 113 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.898 105.4 52.3 -61.8 -40.5 0.2 -23.3 6.0 209 209 A V H X S+ 0 0 13 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.935 111.3 47.5 -60.2 -44.9 -3.2 -22.2 7.4 210 210 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.895 111.6 49.1 -63.8 -41.0 -3.3 -25.4 9.3 211 211 A M H X S+ 0 0 84 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.875 112.5 48.3 -68.0 -35.0 0.2 -25.1 10.6 212 212 A E H X S+ 0 0 49 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.908 109.3 53.0 -69.4 -42.2 -0.4 -21.6 11.8 213 213 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 6,-0.2 0.916 110.2 48.6 -58.3 -43.3 -3.7 -22.6 13.4 214 214 A K H X>S+ 0 0 40 -4,-2.2 5,-2.6 2,-0.2 4,-0.6 0.931 111.0 50.2 -62.2 -45.7 -1.7 -25.3 15.3 215 215 A R H ><5S+ 0 0 152 -4,-2.2 3,-1.3 4,-0.2 -2,-0.2 0.952 113.6 44.3 -58.0 -51.2 0.9 -22.8 16.3 216 216 A L H 3<5S+ 0 0 34 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.777 111.2 55.5 -65.2 -27.3 -1.7 -20.3 17.6 217 217 A A H 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.498 116.7-111.3 -84.6 -4.0 -3.5 -23.1 19.4 218 218 A G T <<5 0 0 49 -3,-1.3 -3,-0.2 -4,-0.6 -2,-0.1 0.610 360.0 360.0 83.9 11.2 -0.5 -24.2 21.3 219 219 A L < 0 0 103 -5,-2.6 -4,-0.2 -6,-0.2 -5,-0.1 0.200 360.0 360.0 -94.6 360.0 -0.3 -27.4 19.3