==== 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 28-JAN-06 2DDG . 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) . 11052.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 63.9 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 . 27 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 27.9 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 1 0 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 0 128 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.7 6.8 105.2 20.5 2 2 A D > - 0 0 99 1,-0.0 4,-1.9 4,-0.0 5,-0.1 -0.327 360.0 -91.6 -92.2-179.2 9.4 107.9 21.1 3 3 A R H > S+ 0 0 99 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.842 122.9 55.2 -65.7 -35.6 10.5 109.3 24.5 4 4 A E H > S+ 0 0 160 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.927 111.8 45.7 -62.8 -40.8 8.0 112.1 24.7 5 5 A A H > S+ 0 0 32 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.864 111.9 53.3 -67.4 -37.4 5.2 109.5 24.2 6 6 A F H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.975 111.9 42.1 -61.1 -57.8 6.8 107.2 26.7 7 7 A V H X S+ 0 0 45 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.881 114.6 53.7 -58.1 -39.7 7.0 109.8 29.5 8 8 A Q H X S+ 0 0 127 -4,-2.1 4,-0.5 -5,-0.3 -1,-0.2 0.951 116.6 34.8 -61.9 -52.5 3.5 111.0 28.7 9 9 A T H >< S+ 0 0 57 -4,-2.5 3,-0.5 1,-0.2 4,-0.3 0.844 115.6 56.0 -74.2 -34.1 1.8 107.6 28.9 10 10 A L H >< S+ 0 0 1 -4,-3.0 3,-1.6 -5,-0.3 -2,-0.2 0.930 103.2 54.0 -63.3 -46.1 4.0 106.3 31.7 11 11 A T H 3< S+ 0 0 33 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.677 108.3 49.6 -64.6 -17.6 3.2 109.2 34.1 12 12 A A T << S+ 0 0 71 -4,-0.5 -1,-0.3 -3,-0.5 -2,-0.2 0.419 84.4 124.7 -99.5 -0.2 -0.5 108.7 33.7 13 13 A C < + 0 0 26 -3,-1.6 -3,-0.1 -4,-0.3 3,-0.0 -0.319 25.7 165.4 -63.6 140.1 -0.3 104.9 34.4 14 14 A R + 0 0 165 -2,-0.0 -1,-0.1 1,-0.0 6,-0.1 -0.066 29.0 127.9-145.9 34.9 -2.4 103.5 37.3 15 15 A L + 0 0 87 1,-0.2 -2,-0.0 2,-0.1 114,-0.0 0.749 65.6 61.8 -68.0 -26.3 -2.3 99.7 36.7 16 16 A C > - 0 0 22 1,-0.2 4,-2.7 110,-0.0 3,-0.3 -0.852 63.6-171.4-106.9 100.0 -1.1 98.9 40.3 17 17 A P H > S+ 0 0 106 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.876 85.6 53.6 -57.6 -39.4 -3.8 100.0 42.8 18 18 A R H > S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.887 115.2 41.1 -64.0 -36.9 -1.6 99.3 45.8 19 19 A L H > S+ 0 0 4 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.855 108.1 58.3 -79.9 -35.9 1.2 101.4 44.4 20 20 A V H < S+ 0 0 20 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.858 114.5 41.0 -60.6 -32.6 -1.0 104.2 43.1 21 21 A A H >X S+ 0 0 59 -4,-1.5 4,-2.5 -5,-0.2 3,-0.8 0.910 114.2 50.0 -81.2 -45.2 -2.2 104.6 46.7 22 22 A W H 3X S+ 0 0 66 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.907 100.8 62.0 -61.5 -43.9 1.1 104.2 48.4 23 23 A R H 3< S+ 0 0 15 -4,-2.6 -1,-0.2 93,-0.3 -2,-0.1 0.744 116.8 32.5 -57.0 -24.3 3.0 106.7 46.2 24 24 A E H X4 S+ 0 0 118 -3,-0.8 3,-1.3 -4,-0.4 -1,-0.2 0.743 110.1 65.3 -99.8 -32.8 0.6 109.4 47.5 25 25 A E H 3< S+ 0 0 92 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.834 98.8 54.5 -59.6 -33.7 0.1 108.0 51.0 26 26 A V T >< S+ 0 0 4 -4,-2.1 3,-2.3 -5,-0.1 4,-0.4 0.616 78.4 116.0 -78.9 -10.8 3.8 108.5 51.9 27 27 A V T < S+ 0 0 46 -3,-1.3 7,-0.1 1,-0.3 36,-0.1 -0.429 88.9 8.1 -63.5 118.1 3.6 112.2 51.1 28 28 A G T 3 S+ 0 0 11 -2,-0.3 -1,-0.3 2,-0.1 6,-0.1 0.389 97.4 110.0 93.3 -3.5 4.3 114.2 54.3 29 29 A R < + 0 0 146 -3,-2.3 2,-0.6 1,-0.1 -2,-0.1 0.691 63.9 71.8 -77.8 -19.5 5.2 111.1 56.3 30 30 A K S >> S- 0 0 92 -4,-0.4 3,-1.7 1,-0.1 4,-0.6 -0.885 76.0-145.7-102.8 119.0 8.8 112.0 56.6 31 31 A R G >4 S+ 0 0 238 -2,-0.6 3,-1.2 1,-0.3 -1,-0.1 0.847 94.0 60.6 -45.7 -49.8 9.5 115.0 58.9 32 32 A A G 34 S+ 0 0 60 1,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.764 116.9 32.1 -55.5 -25.5 12.4 116.5 56.9 33 33 A F G X4 S+ 0 0 38 -3,-1.7 3,-2.0 3,-0.1 -1,-0.2 0.328 79.9 135.3-117.4 8.0 10.1 117.0 53.9 34 34 A R T << S+ 0 0 184 -3,-1.2 -7,-0.0 -4,-0.6 -3,-0.0 -0.312 75.1 23.6 -60.4 139.2 6.6 117.7 55.2 35 35 A G T 3 S+ 0 0 83 1,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.329 99.4 114.1 89.7 -8.4 4.9 120.5 53.5 36 36 A E S < S- 0 0 87 -3,-2.0 -1,-0.3 1,-0.1 2,-0.1 -0.641 75.4 -96.4 -96.1 154.2 7.1 120.1 50.3 37 37 A P - 0 0 119 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.416 36.4-156.9 -70.1 143.3 5.8 119.1 46.9 38 38 A Y - 0 0 25 1,-0.1 29,-0.2 -2,-0.1 30,-0.2 -0.973 19.6-142.0-121.0 135.8 6.1 115.4 46.0 39 39 A W + 0 0 72 28,-1.6 28,-0.2 -2,-0.4 -1,-0.1 0.954 32.5 174.6 -57.1 -50.9 6.2 113.9 42.5 40 40 A A + 0 0 9 26,-3.5 26,-0.1 1,-0.2 27,-0.1 0.855 42.2 96.7 42.7 48.8 4.1 111.0 43.7 41 41 A R S S- 0 0 99 25,-0.1 75,-0.2 73,-0.1 -1,-0.2 -0.898 89.1 -58.0-150.0 173.5 3.8 109.6 40.2 42 42 A P - 0 0 1 0, 0.0 73,-0.2 0, 0.0 72,-0.0 -0.310 58.0-126.1 -57.3 143.8 5.5 106.9 38.0 43 43 A V - 0 0 8 71,-2.4 68,-0.2 -33,-0.1 2,-0.1 -0.848 17.0-147.1-100.2 119.8 9.2 107.8 37.7 44 44 A P - 0 0 15 0, 0.0 -37,-0.0 0, 0.0 -38,-0.0 -0.494 30.9 -97.8 -78.5 155.2 10.6 108.0 34.1 45 45 A G - 0 0 3 -2,-0.1 2,-0.4 25,-0.1 65,-0.2 -0.167 37.1-145.7 -66.2 167.7 14.2 106.9 33.6 46 46 A F E +A 109 0A 46 63,-2.4 63,-2.9 2,-0.1 2,-0.3 -0.999 43.1 44.8-140.7 138.4 17.0 109.5 33.5 47 47 A G E S-A 108 0A 25 -2,-0.4 61,-0.3 61,-0.2 58,-0.1 -0.921 85.5 -3.0 139.1-163.4 20.2 109.8 31.5 48 48 A D > - 0 0 41 59,-2.6 3,-2.4 -2,-0.3 57,-0.1 -0.571 43.8-155.2 -73.8 112.6 22.0 109.4 28.2 49 49 A P T 3 S+ 0 0 81 0, 0.0 94,-0.4 0, 0.0 -1,-0.2 0.720 100.1 50.9 -62.3 -14.5 19.5 108.2 25.5 50 50 A E T 3 S+ 0 0 110 57,-0.1 91,-0.1 92,-0.1 -2,-0.1 0.124 85.8 150.1-105.1 17.8 22.6 106.9 23.7 51 51 A A < - 0 0 1 -3,-2.4 56,-0.2 1,-0.1 92,-0.2 -0.130 38.7-164.9 -55.5 144.0 23.9 105.1 26.9 52 52 A R S S+ 0 0 75 54,-1.6 93,-3.2 92,-0.2 94,-2.6 0.537 80.5 58.4-100.7 -15.6 26.0 101.9 26.5 53 53 A I E -bc 107 146A 1 53,-2.4 55,-1.8 91,-0.2 2,-0.5 -0.966 65.3-167.6-120.9 129.9 25.5 101.2 30.2 54 54 A L E -bc 108 147A 0 92,-2.8 94,-3.6 -2,-0.4 2,-0.6 -0.967 7.2-157.9-118.0 124.1 22.1 100.7 31.9 55 55 A L E -bc 109 148A 1 53,-2.5 55,-1.8 -2,-0.5 2,-0.6 -0.921 14.3-160.8-101.0 117.5 21.9 100.7 35.7 56 56 A F E -bc 110 149A 0 92,-3.4 94,-3.1 -2,-0.6 55,-0.3 -0.880 10.6-174.3-108.3 109.1 18.7 98.9 36.7 57 57 A G E -b 111 0A 0 53,-2.9 55,-2.1 -2,-0.6 56,-0.1 -0.038 30.4-110.3 -88.6-167.7 17.3 99.5 40.1 58 58 A L S S- 0 0 34 1,-0.3 55,-1.8 53,-0.2 53,-0.1 0.942 70.7 -53.8 -90.0 -63.2 14.4 98.1 42.2 59 59 A A - 0 0 26 53,-0.2 -1,-0.3 52,-0.1 55,-0.2 -0.966 67.3 -59.6-169.2 173.8 11.7 100.8 42.6 60 60 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 60,-0.1 -0.424 48.8-125.5 -69.1 143.3 11.2 104.4 43.7 61 61 A G > > - 0 0 17 55,-0.1 5,-1.7 1,-0.1 3,-1.2 -0.674 23.8-118.2 -84.3 144.6 12.0 105.2 47.3 62 62 A A T 3 5S+ 0 0 23 -2,-0.3 -22,-0.1 1,-0.3 -1,-0.1 0.853 113.3 21.4 -51.5 -40.8 9.1 106.8 49.1 63 63 A H T 3 5S+ 0 0 40 3,-0.1 -1,-0.3 4,-0.1 5,-0.0 0.146 122.4 63.5-115.8 17.8 11.1 110.0 49.8 64 64 A G T X>5S- 0 0 1 -3,-1.2 4,-2.6 3,-0.1 3,-1.4 0.537 122.4 -8.9-103.5-108.3 13.6 109.6 47.0 65 65 A S H 3>5S+ 0 0 6 1,-0.3 4,-2.3 2,-0.2 -3,-0.1 0.791 131.1 64.6 -65.4 -26.9 12.5 109.5 43.4 66 66 A N H 34 S- 0 0 24 3,-0.3 3,-2.1 -6,-0.2 -1,-0.2 -0.983 83.6 -96.2-126.2 132.9 14.3 111.7 39.2 71 71 A P T 3 S- 0 0 10 0, 0.0 3,-0.1 0, 0.0 38,-0.0 -0.047 103.7 -4.8 -43.7 137.1 15.8 108.2 39.8 72 72 A F T 3 S+ 0 0 22 1,-0.2 2,-0.5 2,-0.1 3,-0.4 0.666 100.4 137.6 49.5 21.7 17.9 107.9 42.9 73 73 A T < + 0 0 2 -3,-2.1 -5,-0.5 1,-0.2 -6,-0.3 -0.858 59.2 15.0-104.4 126.5 17.5 111.6 43.6 74 74 A G S S+ 0 0 32 -2,-0.5 2,-0.2 22,-0.3 -1,-0.2 0.592 107.5 74.3 97.4 10.5 16.9 112.9 47.1 75 75 A D S > S- 0 0 47 -3,-0.4 4,-1.8 1,-0.0 -1,-0.3 -0.845 93.5 -84.5-142.8-178.8 17.8 109.9 49.3 76 76 A A H > S+ 0 0 41 -2,-0.2 4,-1.0 1,-0.2 5,-0.2 0.792 120.3 59.4 -60.6 -32.0 20.7 107.8 50.7 77 77 A S H > S+ 0 0 15 1,-0.2 4,-3.1 2,-0.2 3,-0.5 0.939 109.8 42.1 -64.0 -45.5 20.9 105.7 47.5 78 78 A G H > S+ 0 0 5 -3,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.836 107.3 60.1 -69.8 -33.1 21.6 108.7 45.4 79 79 A A H < S+ 0 0 64 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.757 115.7 36.9 -65.3 -23.6 24.0 110.2 47.9 80 80 A F H X S+ 0 0 25 -4,-1.0 4,-1.0 -3,-0.5 -2,-0.2 0.887 121.8 42.8 -90.6 -51.4 26.0 107.1 47.4 81 81 A L H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 3,-0.2 0.915 106.2 54.8 -64.3 -52.7 25.5 106.5 43.7 82 82 A Y H X S+ 0 0 3 -4,-2.1 4,-1.9 1,-0.2 5,-0.2 0.883 105.9 50.2 -57.1 -43.6 25.9 109.9 42.0 83 83 A P H > S+ 0 0 26 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.901 111.6 50.4 -63.0 -36.5 29.3 110.8 43.4 84 84 A L H X S+ 0 0 2 -4,-1.0 4,-1.8 -3,-0.2 -2,-0.2 0.864 105.2 56.2 -67.8 -35.6 30.6 107.5 42.2 85 85 A L H <>S+ 0 0 0 -4,-2.0 5,-3.0 1,-0.2 6,-0.3 0.930 112.1 43.5 -60.6 -42.6 29.2 108.0 38.8 86 86 A H H ><5S+ 0 0 74 -4,-1.9 3,-1.9 4,-0.2 5,-0.2 0.905 109.8 55.0 -69.1 -41.2 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 0.813 108.2 51.0 -61.2 -29.0 34.3 109.7 40.1 88 88 A A T 3<5S- 0 0 6 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.406 121.7-109.2 -88.5 1.5 34.1 107.1 37.3 89 89 A G T < 5S+ 0 0 49 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.797 85.5 119.7 76.1 31.0 33.8 109.8 34.7 90 90 A L < + 0 0 3 -5,-3.0 15,-2.3 -6,-0.2 2,-0.3 0.244 65.3 37.1-112.9 15.1 30.1 109.1 33.9 91 91 A S B S-F 104 0B 6 -6,-0.3 13,-0.2 13,-0.3 -2,-0.1 -0.991 74.0-114.6-160.9 160.9 28.4 112.4 34.7 92 92 A S S S+ 0 0 40 11,-2.7 12,-0.1 -2,-0.3 -1,-0.1 0.748 95.1 1.1 -70.5 -29.8 28.8 116.2 34.6 93 93 A K S S- 0 0 49 10,-0.3 -1,-0.1 2,-0.1 -7,-0.1 -0.988 70.4-109.2-156.9 159.9 28.8 116.7 38.4 94 94 A P S S+ 0 0 54 0, 0.0 2,-0.2 0, 0.0 -8,-0.2 0.809 93.0 60.5 -61.8 -36.6 28.8 114.7 41.7 95 95 A E - 0 0 102 -13,-0.1 2,-0.5 -12,-0.1 -2,-0.1 -0.654 64.1-149.3-101.7 156.3 25.3 115.7 42.9 96 96 A S + 0 0 10 -2,-0.2 -22,-0.3 -24,-0.1 -26,-0.1 -0.974 20.7 174.3-122.4 114.0 21.8 115.2 41.5 97 97 A L > - 0 0 102 -2,-0.5 3,-2.4 -24,-0.1 5,-0.3 -0.977 40.0-103.9-121.6 132.9 19.3 117.9 42.3 98 98 A P T 3 S+ 0 0 73 0, 0.0 3,-0.1 0, 0.0 -29,-0.1 -0.274 108.6 16.1 -54.9 134.3 15.8 118.0 40.8 99 99 A G T 3 S+ 0 0 81 1,-0.2 2,-0.0 3,-0.1 -3,-0.0 0.488 100.4 125.4 81.6 2.0 15.6 120.7 38.1 100 100 A D S < S- 0 0 39 -3,-2.4 -1,-0.2 1,-0.1 -4,-0.0 -0.159 73.5-106.9 -84.5-175.7 19.4 120.9 37.8 101 101 A D + 0 0 123 -3,-0.1 -9,-0.1 2,-0.1 -1,-0.1 0.046 58.5 153.2-101.6 26.4 21.6 120.6 34.7 102 102 A L - 0 0 5 -5,-0.3 2,-0.4 -10,-0.1 -55,-0.1 -0.302 23.3-167.0 -59.2 133.4 23.1 117.2 35.6 103 103 A R - 0 0 171 -10,-0.0 -11,-2.7 -55,-0.0 2,-0.4 -0.974 9.8-148.6-124.4 138.0 24.2 115.2 32.5 104 104 A L B -F 91 0B 9 -2,-0.4 2,-0.7 -13,-0.2 -13,-0.3 -0.875 11.6-143.8-105.1 139.8 25.0 111.5 32.5 105 105 A Y S S- 0 0 120 -15,-2.3 3,-0.1 -2,-0.4 -2,-0.0 -0.856 76.4 -21.1-110.9 104.1 27.6 110.2 30.0 106 106 A G S S+ 0 0 10 -2,-0.7 -53,-2.4 1,-0.2 -54,-1.6 0.496 116.5 99.5 82.2 5.6 27.0 106.8 28.4 107 107 A V E - b 0 53A 0 -17,-0.2 -59,-2.6 -56,-0.2 2,-0.3 -0.953 47.4-173.0-129.5 144.7 24.8 105.8 31.3 108 108 A Y E -Ab 47 54A 2 -55,-1.8 -53,-2.5 -2,-0.4 2,-0.4 -0.986 12.4-150.3-133.7 143.7 21.0 105.7 31.8 109 109 A L E +Ab 46 55A 0 -63,-2.9 -63,-2.4 -2,-0.3 2,-0.2 -0.947 32.0 125.5-122.5 136.0 19.1 104.9 35.0 110 110 A T E - b 0 56A 5 -55,-1.8 -53,-2.9 -2,-0.4 2,-0.3 -0.862 36.3-126.1-161.4-168.0 15.7 103.3 35.6 111 111 A A E - b 0 57A 14 -55,-0.3 -53,-0.2 -2,-0.2 -52,-0.1 -0.967 25.6-105.0-153.3 168.5 14.2 100.5 37.6 112 112 A A S S+ 0 0 2 -55,-2.1 2,-0.4 -2,-0.3 22,-0.2 0.857 110.0 28.1 -62.2 -41.6 12.1 97.3 37.6 113 113 A V - 0 0 2 -55,-1.8 -1,-0.1 -56,-0.1 14,-0.1 -0.946 68.0-158.9-122.1 144.3 9.0 99.0 39.1 114 114 A R + 0 0 4 -2,-0.4 -71,-2.4 -55,-0.2 2,-0.4 0.360 67.8 66.7-111.4 8.2 8.3 102.7 38.7 115 115 A C S S- 0 0 17 -73,-0.2 -95,-0.1 -55,-0.1 -53,-0.1 -0.987 94.6 -93.9-128.9 137.7 6.0 103.6 41.6 116 116 A A - 0 0 1 -2,-0.4 -93,-0.3 -75,-0.2 -55,-0.1 -0.235 45.1-155.2 -51.0 120.5 6.9 103.6 45.3 117 117 A P > - 0 0 2 0, 0.0 3,-2.2 0, 0.0 -55,-0.2 -0.794 24.5 -96.1-105.0 146.1 6.0 100.2 46.8 118 118 A P G > S+ 0 0 18 0, 0.0 3,-1.9 0, 0.0 -99,-0.0 -0.283 109.6 1.5 -55.9 136.5 5.3 99.4 50.4 119 119 A K G 3 S- 0 0 184 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.661 119.7 -81.4 59.9 17.1 8.4 98.1 52.2 120 120 A N G < S+ 0 0 89 -3,-2.2 -1,-0.3 1,-0.2 -59,-0.0 0.871 106.1 120.4 56.8 34.8 10.3 98.5 49.0 121 121 A K < - 0 0 119 -3,-1.9 -1,-0.2 -4,-0.0 2,-0.1 -0.818 47.1-165.8-134.9 94.7 8.8 95.2 48.0 122 122 A P - 0 0 4 0, 0.0 -6,-0.0 0, 0.0 -9,-0.0 -0.451 27.5-113.3 -75.9 155.0 6.6 95.0 44.9 123 123 A T > - 0 0 49 1,-0.1 4,-2.2 -2,-0.1 3,-0.3 -0.427 27.4-105.8 -83.0 162.8 4.5 91.9 44.4 124 124 A P H > S+ 0 0 93 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.883 123.6 51.8 -55.6 -34.8 5.1 89.4 41.6 125 125 A E H > S+ 0 0 135 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.861 106.7 50.1 -70.2 -37.7 2.0 90.9 39.9 126 126 A E H > S+ 0 0 11 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.864 110.1 52.7 -68.8 -33.6 3.2 94.5 40.2 127 127 A L H X S+ 0 0 45 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.914 108.5 49.8 -66.5 -41.6 6.5 93.4 38.7 128 128 A R H < S+ 0 0 164 -4,-1.9 4,-0.4 -5,-0.2 -2,-0.2 0.870 111.3 49.9 -64.5 -37.6 4.6 91.8 35.7 129 129 A A H >< S+ 0 0 15 -4,-1.9 3,-1.4 1,-0.2 4,-0.3 0.961 113.5 42.2 -67.1 -52.3 2.6 94.9 35.1 130 130 A C H >X S+ 0 0 14 -4,-2.4 4,-1.4 1,-0.3 3,-1.3 0.681 95.2 81.0 -70.9 -16.2 5.5 97.4 35.1 131 131 A A H 3X S+ 0 0 40 -4,-1.3 4,-1.5 1,-0.3 -1,-0.3 0.759 83.4 64.6 -59.8 -23.6 7.6 94.9 33.0 132 132 A R H <> S+ 0 0 138 -3,-1.4 4,-1.5 -4,-0.4 -1,-0.3 0.850 101.8 47.9 -67.9 -33.1 5.6 96.3 30.1 133 133 A W H <> S+ 0 0 29 -3,-1.3 4,-3.3 -4,-0.3 5,-0.2 0.814 105.2 58.4 -76.3 -30.4 7.2 99.7 30.7 134 134 A T H X S+ 0 0 8 -4,-1.4 4,-2.5 2,-0.2 5,-0.3 0.862 104.7 52.6 -64.9 -34.5 10.7 98.1 30.9 135 135 A E H X S+ 0 0 92 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.930 113.8 42.0 -66.4 -44.6 10.0 96.8 27.4 136 136 A V H X S+ 0 0 37 -4,-1.5 4,-0.8 2,-0.2 -2,-0.2 0.944 117.5 45.7 -67.5 -48.5 9.2 100.2 26.1 137 137 A E H >< S+ 0 0 0 -4,-3.3 3,-1.4 1,-0.2 -2,-0.2 0.948 115.6 43.6 -62.8 -51.0 12.0 102.0 28.0 138 138 A L H >< S+ 0 0 12 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.809 107.0 64.0 -65.6 -25.1 14.8 99.6 27.2 139 139 A G H 3< S+ 0 0 59 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.766 100.2 52.6 -67.0 -23.1 13.4 99.6 23.7 140 140 A L T << S+ 0 0 48 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.305 94.8 74.9 -93.4 6.5 14.3 103.3 23.6 141 141 A L X + 0 0 6 -3,-1.6 3,-1.1 1,-0.1 -1,-0.2 -0.637 54.8 163.8-120.4 73.3 17.9 102.6 24.6 142 142 A P T 3 + 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -92,-0.1 0.707 68.6 54.1 -61.8 -27.8 19.5 101.1 21.4 143 143 A E T 3 S+ 0 0 76 -94,-0.4 2,-0.1 -92,-0.2 -93,-0.1 0.499 72.2 127.3 -92.0 -2.3 23.1 101.5 22.4 144 144 A V < + 0 0 5 -3,-1.1 -92,-0.2 -6,-0.2 -91,-0.2 -0.344 20.0 163.1 -61.4 128.1 23.1 99.6 25.7 145 145 A R + 0 0 107 -93,-3.2 39,-2.8 1,-0.3 2,-0.5 0.598 65.8 46.9-114.0 -26.5 25.8 97.0 25.8 146 146 A V E -cd 53 184A 0 -94,-2.6 -92,-2.8 37,-0.2 2,-0.6 -0.972 62.6-165.6-126.7 121.3 25.9 96.4 29.5 147 147 A Y E -cd 54 185A 11 37,-2.9 39,-2.7 -2,-0.5 2,-0.7 -0.914 9.9-161.2-104.3 118.8 22.9 95.9 31.8 148 148 A V E -cd 55 186A 0 -94,-3.6 -92,-3.4 -2,-0.6 2,-0.6 -0.888 4.7-152.8-107.0 113.5 23.7 96.3 35.4 149 149 A A E -cd 56 187A 0 37,-3.0 39,-2.3 -2,-0.7 2,-1.1 -0.726 5.3-151.5 -84.5 121.9 21.1 94.8 37.8 150 150 A L E - d 0 188A 1 -94,-3.1 4,-0.4 -2,-0.6 40,-0.2 -0.771 65.7 -19.2 -95.4 92.2 21.2 96.5 41.2 151 151 A G S > S- 0 0 7 37,-3.1 4,-2.1 -2,-1.1 5,-0.1 -0.159 89.5 -66.4 99.6 166.3 20.0 93.8 43.6 152 152 A R H > S+ 0 0 143 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.896 128.3 50.5 -58.0 -48.3 18.2 90.5 43.4 153 153 A I H > S+ 0 0 28 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.914 110.6 50.2 -60.5 -42.9 14.8 91.9 42.3 154 154 A A H > S+ 0 0 0 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.911 110.8 49.4 -62.7 -43.4 16.5 93.9 39.5 155 155 A L H X S+ 0 0 2 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.957 109.9 49.1 -62.0 -51.7 18.3 90.8 38.2 156 156 A E H X S+ 0 0 53 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.859 110.6 53.1 -56.8 -34.5 15.3 88.6 38.2 157 157 A A H X S+ 0 0 25 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.905 111.0 45.1 -67.0 -42.5 13.4 91.3 36.3 158 158 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.865 109.9 55.5 -69.2 -36.2 16.2 91.5 33.7 159 159 A L H <>S+ 0 0 3 -4,-2.9 5,-3.0 2,-0.2 4,-0.3 0.938 108.8 47.4 -61.0 -45.5 16.3 87.7 33.4 160 160 A A H ><5S+ 0 0 76 -4,-2.1 3,-1.3 3,-0.2 -1,-0.2 0.926 110.7 53.3 -60.0 -44.5 12.6 87.7 32.6 161 161 A H H 3<5S+ 0 0 48 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.917 115.1 38.9 -55.9 -47.6 13.2 90.5 30.1 162 162 A F T 3<5S- 0 0 38 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.309 112.7-117.3 -87.5 8.0 15.9 88.5 28.3 163 163 A G T < 5 + 0 0 64 -3,-1.3 2,-0.3 -4,-0.3 -3,-0.2 0.894 62.8 151.7 58.2 42.2 14.0 85.2 28.7 164 164 A L < - 0 0 51 -5,-3.0 2,-0.4 -6,-0.1 -1,-0.2 -0.749 46.2-111.1-106.5 154.3 16.8 83.7 30.8 165 165 A R > - 0 0 186 -2,-0.3 4,-0.9 1,-0.1 3,-0.5 -0.667 9.8-143.9 -88.3 134.4 16.5 81.0 33.5 166 166 A K T >4 S+ 0 0 128 -2,-0.4 3,-0.9 1,-0.2 -1,-0.1 0.894 99.4 61.2 -59.2 -42.6 17.1 81.8 37.2 167 167 A S T 34 S+ 0 0 115 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.845 109.1 41.4 -55.2 -37.7 18.7 78.4 37.8 168 168 A A T 34 S+ 0 0 61 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.589 119.7 46.2 -87.5 -11.1 21.5 79.2 35.3 169 169 A H S << S- 0 0 32 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.1 -0.604 74.9-177.3-133.2 75.1 21.9 82.8 36.4 170 170 A P - 0 0 73 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 -0.300 33.0-106.6 -69.4 155.6 22.0 83.1 40.2 171 171 A F + 0 0 54 3,-0.0 2,-0.3 4,-0.0 -19,-0.1 -0.752 55.8 142.1 -89.0 119.9 22.3 86.4 41.9 172 172 A R > - 0 0 134 -2,-0.6 3,-2.3 -21,-0.1 15,-0.2 -0.968 57.1 -97.2-153.9 138.7 25.7 87.2 43.4 173 173 A H T 3 S+ 0 0 40 -2,-0.3 15,-0.2 1,-0.3 3,-0.1 -0.353 112.1 20.5 -57.4 130.9 27.6 90.4 43.6 174 174 A G T 3 S+ 0 0 36 13,-2.3 -1,-0.3 1,-0.3 14,-0.1 0.269 86.1 147.8 93.8 -12.7 30.1 90.5 40.7 175 175 A A < - 0 0 0 -3,-2.3 12,-2.4 12,-0.2 2,-0.4 -0.270 26.8-167.8 -58.0 141.3 28.3 87.9 38.6 176 176 A H E -E 186 0A 113 10,-0.2 10,-0.2 -3,-0.1 -1,-0.0 -0.987 5.9-177.8-137.5 123.6 28.7 88.5 34.9 177 177 A Y E -E 185 0A 34 8,-3.0 8,-2.9 -2,-0.4 2,-0.2 -0.932 25.8-115.9-123.6 146.2 26.6 86.7 32.2 178 178 A P E -E 184 0A 105 0, 0.0 6,-0.2 0, 0.0 3,-0.0 -0.497 27.3-164.9 -79.7 148.3 26.7 86.8 28.4 179 179 A L E >> -E 183 0A 12 4,-2.2 4,-1.0 -2,-0.2 3,-0.6 -0.905 36.0 -76.2-128.7 158.4 23.8 88.2 26.4 180 180 A P T 34 S+ 0 0 92 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 -0.183 114.0 29.3 -53.4 140.9 23.0 87.9 22.6 181 181 A G T 34 S- 0 0 81 1,-0.2 3,-0.1 2,-0.1 0, 0.0 0.776 133.2 -66.5 79.4 27.3 25.1 90.2 20.4 182 182 A G T <4 S+ 0 0 63 -3,-0.6 -1,-0.2 1,-0.2 2,-0.1 0.710 97.5 141.5 67.3 20.0 28.1 90.3 22.6 183 183 A R E < - E 0 179A 74 -4,-1.0 -4,-2.2 -3,-0.4 2,-0.3 -0.321 39.7-133.0 -87.8 174.9 26.3 92.2 25.3 184 184 A H E -dE 146 178A 51 -39,-2.8 -37,-2.9 -6,-0.2 2,-0.5 -0.975 12.1-156.1-138.2 147.8 26.6 91.7 29.0 185 185 A L E -dE 147 177A 0 -8,-2.9 -8,-3.0 -2,-0.3 2,-0.4 -0.974 20.8-175.0-120.4 115.1 24.5 91.3 32.2 186 186 A L E -dE 148 176A 8 -39,-2.7 -37,-3.0 -2,-0.5 2,-0.4 -0.893 10.6-151.0-112.4 142.1 26.2 92.2 35.5 187 187 A A E +d 149 0A 1 -12,-2.4 -13,-2.3 -2,-0.4 2,-0.3 -0.907 18.8 169.5-114.2 140.6 24.8 91.8 39.0 188 188 A S E -d 150 0A 0 -39,-2.3 -37,-3.1 -2,-0.4 -33,-0.1 -0.957 42.5 -94.6-141.9 156.4 25.6 94.0 41.9 189 189 A Y - 0 0 64 -2,-0.3 -15,-0.0 -39,-0.2 6,-0.0 -0.426 58.7 -95.1 -65.9 151.8 24.3 94.4 45.4 190 190 A H - 0 0 32 -40,-0.2 -1,-0.1 1,-0.1 -39,-0.1 -0.333 25.7-121.8 -68.3 155.2 21.7 97.2 45.4 191 191 A V + 0 0 0 4,-0.1 -111,-0.1 -3,-0.1 5,-0.1 0.315 63.1 141.2 -80.8 8.4 22.9 100.8 46.4 192 192 A S >> - 0 0 27 1,-0.1 4,-2.4 3,-0.1 3,-2.4 -0.100 67.1-118.4 -52.4 147.8 20.4 100.9 49.3 193 193 A R H 3> S+ 0 0 142 1,-0.3 4,-2.1 2,-0.2 5,-0.5 0.829 116.5 65.5 -55.5 -31.8 21.4 102.5 52.6 194 194 A Q H 34 S+ 0 0 137 1,-0.2 -1,-0.3 2,-0.2 6,-0.2 0.681 110.9 34.9 -62.9 -22.4 20.8 99.1 54.0 195 195 A N H <4>S+ 0 0 30 -3,-2.4 6,-2.2 4,-0.1 5,-1.1 0.804 121.6 41.4-100.5 -42.4 23.7 97.8 52.0 196 196 A T H <5S+ 0 0 33 -4,-2.4 3,-0.2 4,-0.2 -3,-0.2 0.853 117.8 44.0 -78.2 -36.3 26.2 100.6 51.9 197 197 A Q T <5S+ 0 0 132 -4,-2.1 -1,-0.2 -5,-0.3 -3,-0.2 0.726 113.8 52.2 -80.7 -21.8 25.9 101.8 55.5 198 198 A T T 5S- 0 0 100 -5,-0.5 -1,-0.2 3,-0.1 -2,-0.2 0.554 114.4-114.7 -89.4 -10.5 26.0 98.1 56.8 199 199 A G T 5S+ 0 0 47 -4,-0.4 3,-0.2 2,-0.3 -3,-0.2 0.435 85.9 114.5 93.2 -1.2 29.1 97.3 54.8 200 200 A R S - 0 0 56 -2,-0.4 4,-2.4 -3,-0.2 5,-0.2 -0.575 36.6-110.2-100.1 166.2 31.2 99.6 49.8 203 203 A R H > S+ 0 0 164 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.902 121.1 53.4 -58.5 -40.1 32.1 102.6 47.7 204 204 A E H > S+ 0 0 161 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.916 108.3 48.6 -61.3 -45.6 35.2 100.7 46.5 205 205 A M H > S+ 0 0 59 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.904 114.8 44.0 -62.9 -44.2 33.1 97.7 45.5 206 206 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.889 109.5 53.6 -72.5 -37.9 30.5 99.7 43.5 207 207 A L H X S+ 0 0 45 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.917 107.9 55.1 -60.6 -37.0 33.1 102.0 41.8 208 208 A E H X S+ 0 0 125 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.908 105.2 50.9 -60.2 -43.6 34.6 98.6 40.7 209 209 A V H X S+ 0 0 13 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.941 111.5 48.3 -59.7 -46.1 31.3 97.5 39.2 210 210 A L H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.900 111.2 49.0 -61.4 -43.6 31.1 100.8 37.3 211 211 A M H X S+ 0 0 87 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.877 112.0 49.6 -64.7 -36.8 34.7 100.6 36.0 212 212 A E H X S+ 0 0 50 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.885 109.2 51.8 -68.5 -38.7 34.0 97.0 34.9 213 213 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 6,-0.2 0.889 109.7 50.0 -64.9 -37.7 30.8 98.1 33.1 214 214 A K H <>S+ 0 0 40 -4,-2.1 5,-2.7 2,-0.2 4,-0.4 0.933 111.0 49.6 -65.0 -43.6 32.8 100.8 31.3 215 215 A R H ><5S+ 0 0 154 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.949 113.3 44.6 -59.6 -52.0 35.4 98.2 30.3 216 216 A L H 3<5S+ 0 0 39 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.713 112.1 54.5 -66.7 -20.3 32.8 95.7 29.0 217 217 A A T 3<5S- 0 0 0 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.451 114.8-114.2 -92.5 -1.3 31.0 98.6 27.2 218 218 A G T < 5 0 0 49 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.663 360.0 360.0 78.1 15.0 34.1 99.7 25.4 219 219 A L < 0 0 101 -5,-2.7 -4,-0.2 -6,-0.2 -5,-0.1 0.269 360.0 360.0 -93.9 360.0 34.1 103.0 27.3