==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 12-APR-07 2PI4 . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR W.P.KENNEDY,J.R.MOMAND,Y.W.YIN . 862 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39407.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 570 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 5.2 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 . 2 0.2 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 . 70 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 320 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 4 2 2 2 2 0 2 2 2 1 0 2 2 4 3 0 0 1 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 8 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 3 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 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 I 0 0 108 0, 0.0 4,-0.2 0, 0.0 177,-0.1 0.000 360.0 360.0 360.0 169.2 210.2 19.7 75.0 2 7 A A >> + 0 0 7 175,-0.1 3,-0.9 3,-0.1 4,-0.9 0.986 360.0 42.1 -53.4 -77.7 208.3 16.7 73.6 3 8 A K T 34 S+ 0 0 83 1,-0.2 4,-0.1 2,-0.2 174,-0.0 0.100 103.6 45.9 -60.0-178.9 211.2 14.8 72.0 4 9 A N T 34 S+ 0 0 148 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.275 110.1 66.8 65.4 -16.3 214.6 14.5 73.7 5 10 A D T <4 S+ 0 0 69 -3,-0.9 2,-0.3 1,-0.3 -2,-0.2 0.870 108.5 7.6 -99.7 -51.9 212.5 13.6 76.8 6 11 A F S < S- 0 0 67 -4,-0.9 -1,-0.3 168,-0.1 -2,-0.2 -0.945 79.9 -98.7-134.0 155.2 210.8 10.3 76.0 7 12 A S >> - 0 0 56 -2,-0.3 3,-2.5 1,-0.1 4,-0.9 -0.478 38.8-113.0 -71.6 140.8 211.0 7.7 73.3 8 13 A D H 3> S+ 0 0 56 1,-0.3 4,-0.7 2,-0.2 -1,-0.1 0.668 106.4 85.5 -46.9 -18.3 208.3 8.0 70.7 9 14 A I H 34 S+ 0 0 125 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.797 108.3 19.6 -56.0 -28.6 207.0 4.6 71.9 10 15 A E H X> S+ 0 0 68 -3,-2.5 3,-3.6 2,-0.1 4,-2.0 0.538 97.9 90.7-117.7 -15.2 205.0 6.5 74.6 11 16 A L H 3< S+ 0 0 1 -4,-0.9 258,-0.2 1,-0.3 -2,-0.1 0.733 96.4 48.0 -55.5 -19.1 204.9 10.1 73.2 12 17 A A T 3< S+ 0 0 2 -4,-0.7 4,-0.3 2,-0.1 -1,-0.3 0.291 107.4 57.3-102.3 4.4 201.6 8.8 71.7 13 18 A A T <> S+ 0 0 11 -3,-3.6 4,-2.8 2,-0.1 3,-0.3 0.853 94.5 60.3 -98.8 -49.0 200.5 7.3 74.9 14 19 A I H X S+ 0 0 37 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.878 102.6 53.2 -46.0 -52.2 200.5 10.3 77.2 15 20 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.922 114.4 41.3 -52.5 -48.9 198.0 12.3 75.1 16 21 A F H > S+ 0 0 5 -4,-0.3 4,-2.9 -3,-0.3 5,-0.3 0.910 114.4 50.1 -68.1 -44.8 195.5 9.5 75.1 17 22 A N H X S+ 0 0 74 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.954 116.2 42.9 -58.1 -49.6 195.9 8.5 78.8 18 23 A T H X S+ 0 0 20 -4,-3.0 4,-1.4 -5,-0.3 -2,-0.2 0.912 115.4 50.1 -64.9 -41.7 195.5 12.1 79.8 19 24 A L H < S+ 0 0 2 -4,-2.5 5,-0.3 -5,-0.3 -2,-0.2 0.988 110.3 46.3 -60.7 -61.2 192.6 12.6 77.5 20 25 A A H < S+ 0 0 13 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.851 105.5 69.4 -48.7 -36.3 190.6 9.6 78.5 21 26 A D H < S+ 0 0 90 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.954 104.0 32.3 -47.5 -72.3 191.3 10.7 82.0 22 27 A H S < S+ 0 0 34 -4,-1.4 2,-0.7 -3,-0.1 6,-0.1 -0.170 125.6 10.0 -78.4-179.3 189.2 13.8 82.2 23 28 A Y S S- 0 0 34 141,-0.2 132,-0.3 133,-0.1 2,-0.2 -0.294 116.3 -61.6 54.0 -98.6 186.0 14.3 80.3 24 29 A G - 0 0 1 -2,-0.7 130,-0.1 -5,-0.3 129,-0.1 -0.671 31.5-113.8-152.2-152.9 185.5 10.7 79.1 25 30 A E S > S+ 0 0 14 128,-0.7 4,-2.4 -2,-0.2 5,-0.2 0.582 104.5 54.4-128.1 -50.8 186.8 7.8 77.0 26 31 A R H > S+ 0 0 110 127,-0.7 4,-1.6 1,-0.2 5,-0.1 0.934 117.8 41.1 -53.4 -47.1 184.4 7.3 74.2 27 32 A L H > S+ 0 0 13 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.759 108.2 63.4 -71.5 -28.2 184.8 11.0 73.3 28 33 A A H > S+ 0 0 3 2,-0.2 4,-1.1 1,-0.2 3,-0.3 0.943 105.3 44.2 -63.3 -46.9 188.5 10.7 74.0 29 34 A R H X S+ 0 0 110 -4,-2.4 4,-1.8 1,-0.2 5,-0.3 0.976 108.5 54.5 -62.6 -57.0 189.0 8.2 71.2 30 35 A E H X S+ 0 0 70 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.764 105.0 62.7 -47.8 -27.8 186.9 10.0 68.5 31 36 A Q H >X S+ 0 0 2 -4,-1.2 4,-3.0 -3,-0.3 3,-0.7 0.997 107.1 33.1 -61.8 -79.6 189.1 13.0 69.3 32 37 A L H 3X S+ 0 0 0 -4,-1.1 4,-2.2 1,-0.3 -1,-0.2 0.731 119.4 57.9 -51.7 -22.4 192.6 12.0 68.2 33 38 A A H 3X S+ 0 0 30 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.3 0.921 108.7 44.2 -72.5 -46.1 190.9 9.9 65.6 34 39 A L H XX S+ 0 0 8 -4,-2.1 3,-1.3 -3,-0.7 4,-0.5 0.987 111.8 50.8 -60.8 -59.2 189.3 13.1 64.3 35 40 A E H >< S+ 0 0 3 -4,-3.0 3,-2.0 1,-0.3 -1,-0.2 0.932 111.1 51.7 -45.0 -46.0 192.6 15.0 64.5 36 41 A H H >X S+ 0 0 11 -4,-2.2 4,-1.4 1,-0.3 3,-1.4 0.837 88.0 80.1 -58.6 -34.0 194.0 12.0 62.6 37 42 A E H << S+ 0 0 21 -4,-1.7 -1,-0.3 -3,-1.3 208,-0.2 0.674 84.3 66.2 -47.6 -17.0 191.2 12.4 60.1 38 43 A S T << S+ 0 0 7 -3,-2.0 -1,-0.3 -4,-0.5 -2,-0.1 -0.116 109.0 32.0 -99.4 34.8 193.4 15.2 58.7 39 44 A Y T <4 S+ 0 0 9 -3,-1.4 58,-0.3 1,-0.3 2,-0.3 0.389 121.3 13.2-150.3 -45.8 196.2 12.9 57.6 40 45 A E S < S- 0 0 35 -4,-1.4 2,-0.3 56,-0.1 -1,-0.3 -0.997 72.9-104.7-146.6 148.7 194.9 9.5 56.5 41 46 A M - 0 0 15 51,-0.7 2,-0.3 -2,-0.3 -4,-0.0 -0.551 42.7-109.8 -75.5 127.9 191.6 7.9 55.6 42 47 A G > - 0 0 16 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 -0.391 15.9-145.1 -61.0 118.4 190.2 5.6 58.2 43 48 A E H > S+ 0 0 131 -2,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.855 106.5 34.2 -50.3 -37.9 190.4 2.0 57.0 44 49 A A H > S+ 0 0 55 2,-0.2 4,-1.0 1,-0.1 -1,-0.2 0.915 111.5 60.2 -82.8 -49.9 187.2 1.5 58.8 45 50 A R H 4 S+ 0 0 66 1,-0.2 4,-0.4 2,-0.2 3,-0.4 0.841 107.6 49.4 -44.1 -42.1 185.7 4.9 58.2 46 51 A F H >< S+ 0 0 31 -4,-3.1 3,-2.4 1,-0.2 -1,-0.2 0.970 105.2 52.4 -65.2 -58.4 186.0 4.1 54.5 47 52 A R H 3< S+ 0 0 180 -4,-1.2 -1,-0.2 1,-0.3 3,-0.2 0.612 102.4 67.2 -56.2 -8.5 184.3 0.7 54.5 48 53 A K T 3< S+ 0 0 172 -4,-1.0 2,-1.7 -3,-0.4 -1,-0.3 0.720 77.0 80.6 -83.7 -25.3 181.5 2.5 56.3 49 54 A M < 0 0 46 -3,-2.4 -1,-0.2 -4,-0.4 -2,-0.1 -0.164 360.0 360.0 -78.7 46.1 180.6 4.6 53.3 50 55 A F 0 0 178 -2,-1.7 -1,-0.1 -3,-0.2 -3,-0.0 -0.718 360.0 360.0-144.1 360.0 178.6 1.7 51.9 51 ! 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 52 72 A P 0 0 105 0, 0.0 189,-0.1 0, 0.0 188,-0.0 0.000 360.0 360.0 360.0 97.3 179.7 8.6 47.7 53 73 A L >> + 0 0 12 186,-0.1 3,-1.7 188,-0.0 4,-1.4 0.155 360.0 56.5-162.8 -60.6 182.6 10.4 46.1 54 74 A I H 3> S+ 0 0 2 186,-0.7 4,-2.6 1,-0.3 187,-0.1 0.867 98.1 75.1 -51.4 -34.8 186.0 10.4 47.8 55 75 A T H 34 S+ 0 0 22 1,-0.2 -1,-0.3 2,-0.2 -9,-0.0 0.829 100.7 38.2 -44.9 -43.1 185.5 6.6 47.6 56 76 A T H <> S+ 0 0 62 -3,-1.7 4,-1.1 2,-0.1 -1,-0.2 0.956 120.1 42.2 -79.5 -54.1 186.3 6.7 43.9 57 77 A L H X S+ 0 0 7 -4,-1.4 4,-1.9 1,-0.2 5,-0.2 0.960 105.7 62.8 -58.8 -55.5 189.1 9.3 43.8 58 78 A L H X S+ 0 0 4 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.824 106.7 39.0 -36.5 -61.7 191.0 8.1 46.8 59 79 A P H > S+ 0 0 50 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.982 108.7 58.5 -59.9 -60.0 192.0 4.6 45.7 60 80 A K H X S+ 0 0 111 -4,-1.1 4,-1.8 1,-0.3 -2,-0.2 0.856 113.2 44.3 -38.0 -41.2 192.8 5.3 42.1 61 81 A M H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.3 0.944 107.4 56.4 -70.0 -48.8 195.3 7.8 43.6 62 82 A I H X S+ 0 0 32 -4,-2.2 4,-1.4 -5,-0.2 5,-0.3 0.916 110.1 46.3 -48.2 -53.0 196.6 5.5 46.2 63 83 A A H X S+ 0 0 49 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.988 108.8 53.0 -54.2 -66.8 197.5 2.9 43.7 64 84 A R H X S+ 0 0 41 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.803 103.2 63.0 -39.7 -40.2 199.1 5.3 41.3 65 85 A I H >X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 3,-0.9 0.978 114.6 27.1 -51.3 -72.0 201.3 6.6 44.2 66 86 A N H 3X S+ 0 0 52 -4,-1.4 4,-1.0 1,-0.3 -1,-0.2 0.864 118.3 62.6 -61.4 -32.6 203.2 3.3 44.9 67 87 A D H 3X S+ 0 0 88 -4,-3.2 4,-1.3 -5,-0.3 3,-0.3 0.844 103.7 48.8 -60.0 -33.3 202.7 2.4 41.2 68 88 A W H X S+ 0 0 89 -4,-1.0 4,-2.8 -3,-0.3 3,-0.7 0.990 102.5 55.3 -74.6 -65.3 208.0 1.4 40.6 71 91 A E H 3X S+ 0 0 84 -4,-1.3 4,-0.8 1,-0.3 -1,-0.2 0.731 116.8 42.1 -36.2 -31.0 208.4 3.2 37.3 72 92 A V H 3< S+ 0 0 1 -4,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.861 112.3 51.0 -87.6 -40.5 211.0 5.2 39.1 73 93 A K H << S+ 0 0 116 -4,-2.0 -2,-0.2 -3,-0.7 -3,-0.2 0.881 112.3 47.9 -63.4 -39.4 212.6 2.2 40.9 74 94 A A H < S+ 0 0 90 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.878 98.6 82.1 -68.5 -42.5 212.9 0.3 37.7 75 95 A K S < S- 0 0 110 -4,-0.8 2,-0.1 -5,-0.5 -3,-0.0 -0.300 71.4-146.2 -65.7 150.0 214.4 3.2 35.8 76 96 A R + 0 0 235 3,-0.0 -1,-0.1 2,-0.0 -2,-0.0 -0.020 59.8 55.5 -93.8-155.1 218.1 3.9 36.2 77 97 A G S S- 0 0 61 -2,-0.1 2,-0.0 2,-0.1 0, 0.0 -0.010 104.0 -15.3 59.0-167.3 219.7 7.3 36.2 78 98 A K - 0 0 185 1,-0.1 -3,-0.0 0, 0.0 -2,-0.0 -0.278 66.5-130.9 -68.6 152.8 218.7 10.1 38.5 79 99 A R - 0 0 94 1,-0.0 5,-0.1 2,-0.0 -1,-0.1 -0.854 32.2 -92.6-106.6 138.0 215.4 9.9 40.4 80 100 A P >> - 0 0 25 0, 0.0 3,-1.7 0, 0.0 4,-1.0 -0.271 35.1-131.7 -52.4 119.7 212.8 12.7 40.6 81 101 A T H 3> S+ 0 0 52 1,-0.3 4,-0.7 2,-0.2 5,-0.2 0.849 104.9 64.4 -39.7 -51.4 213.7 14.7 43.7 82 102 A A H >4 S+ 0 0 0 1,-0.2 3,-1.6 2,-0.2 4,-0.4 0.904 99.9 54.7 -40.2 -50.0 210.1 14.6 44.9 83 103 A F H X> S+ 0 0 9 -3,-1.7 3,-5.0 1,-0.3 4,-1.5 0.957 88.1 76.3 -50.4 -58.5 210.5 10.9 45.2 84 104 A Q H 3< S+ 0 0 89 -4,-1.0 -1,-0.3 1,-0.3 4,-0.2 0.665 114.4 21.3 -25.3 -37.8 213.5 11.2 47.4 85 105 A F T << S+ 0 0 28 -3,-1.6 -1,-0.3 -4,-0.7 -2,-0.2 0.209 112.9 72.4-122.3 16.4 211.2 12.0 50.3 86 106 A L T X4 S+ 0 0 2 -3,-5.0 3,-0.7 -4,-0.4 -2,-0.2 0.715 87.4 62.9 -99.0 -24.9 207.9 10.6 49.0 87 107 A Q T 3< S+ 0 0 82 -4,-1.5 2,-2.0 1,-0.2 -2,-0.1 0.967 91.3 59.6 -63.6 -60.3 208.8 7.0 49.5 88 108 A E T 3 S+ 0 0 126 -4,-0.2 2,-0.4 2,-0.1 -1,-0.2 0.124 95.0 90.2 -60.0 28.0 209.2 6.7 53.3 89 109 A I S < S- 0 0 7 -2,-2.0 5,-0.1 -3,-0.7 40,-0.1 -0.963 88.2-109.7-134.8 122.3 205.6 7.9 53.5 90 110 A K >> - 0 0 114 -2,-0.4 4,-2.0 1,-0.2 3,-1.4 -0.170 23.6-148.9 -48.1 120.2 202.5 5.7 53.6 91 111 A P H 3> S+ 0 0 22 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.880 92.1 71.9 -63.0 -36.0 200.7 6.2 50.3 92 112 A E H 3> S+ 0 0 79 1,-0.2 -51,-0.7 2,-0.2 4,-0.7 0.764 110.9 35.1 -52.6 -18.0 197.3 5.7 51.8 93 113 A A H <> S+ 0 0 1 -3,-1.4 4,-3.4 -53,-0.2 -1,-0.2 0.831 109.0 61.8 -98.7 -45.2 197.9 9.1 53.3 94 114 A V H X S+ 0 0 5 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.863 110.0 42.9 -50.3 -44.7 199.8 10.7 50.5 95 115 A A H X S+ 0 0 0 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.997 115.2 47.9 -64.0 -59.1 196.8 10.3 48.2 96 116 A Y H X S+ 0 0 0 -4,-0.7 4,-1.4 -5,-0.3 5,-0.4 0.798 107.7 54.9 -48.7 -48.6 194.2 11.4 50.8 97 117 A I H X S+ 0 0 3 -4,-3.4 4,-3.0 -58,-0.3 5,-0.4 0.965 108.8 49.5 -46.7 -75.6 196.0 14.4 51.8 98 118 A T H X S+ 0 0 0 -4,-1.1 4,-7.3 2,-0.2 5,-0.3 0.720 106.4 51.1 -28.2 -77.1 196.2 15.6 48.3 99 119 A I H X S+ 0 0 1 -4,-1.4 4,-5.9 2,-0.2 5,-0.3 0.854 121.7 35.0 -28.3 -70.5 192.5 15.3 47.2 100 120 A K H X S+ 0 0 1 -4,-1.4 4,-5.3 -3,-0.3 -1,-0.2 0.954 120.3 47.0 -50.2 -64.5 191.3 17.2 50.2 101 121 A T H X S+ 0 0 5 -4,-3.0 4,-2.2 -5,-0.4 -2,-0.2 0.923 118.1 44.8 -54.2 -40.7 194.3 19.5 50.4 102 122 A T H X S+ 0 0 1 -4,-7.3 4,-2.2 -5,-0.4 -2,-0.3 0.998 115.3 45.2 -65.7 -53.5 193.8 20.0 46.7 103 123 A L H X S+ 0 0 13 -4,-5.9 4,-0.8 -5,-0.3 -2,-0.2 0.848 111.5 59.3 -53.6 -31.8 189.9 20.4 47.1 104 124 A A H >< S+ 0 0 13 -4,-5.3 3,-3.4 -5,-0.3 -2,-0.2 0.992 104.4 44.0 -60.5 -71.2 190.8 22.6 49.9 105 125 A C H >< S+ 0 0 19 -4,-2.2 3,-2.2 1,-0.3 -2,-0.2 0.840 105.1 65.0 -39.6 -51.5 192.8 25.1 48.0 106 126 A L H 3< S+ 0 0 21 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.731 83.2 76.1 -44.0 -26.6 190.2 25.2 45.2 107 127 A T T << S+ 0 0 32 -3,-3.4 2,-0.8 -4,-0.8 -1,-0.3 0.446 78.7 86.6 -69.2 6.4 187.8 26.6 47.6 108 128 A S < - 0 0 52 -3,-2.2 -1,-0.2 -4,-0.2 265,-0.0 -0.754 60.4-170.0-112.4 86.2 189.8 29.8 47.0 109 129 A A S S+ 0 0 45 -2,-0.8 3,-0.2 261,-0.2 -1,-0.2 0.703 84.6 49.4 -45.4 -22.2 188.3 31.6 44.0 110 130 A D S S+ 0 0 140 1,-0.2 2,-0.8 -3,-0.1 -1,-0.1 0.941 111.3 29.9 -83.9 -84.4 191.3 33.8 44.2 111 131 A N + 0 0 75 1,-0.2 -1,-0.2 -6,-0.1 -3,-0.1 -0.728 59.8 138.6 -88.1 108.6 194.7 32.0 44.4 112 132 A T + 0 0 5 -2,-0.8 112,-2.1 -3,-0.2 -1,-0.2 0.052 30.7 141.6-130.2 13.9 194.5 28.6 42.7 113 133 A T B > -A 223 0A 23 110,-0.3 4,-1.3 1,-0.2 110,-0.3 -0.339 69.5-111.3 -62.3 140.6 197.9 28.9 41.1 114 134 A V H > S+ 0 0 8 108,-3.9 4,-1.0 1,-0.2 5,-0.3 0.751 117.4 66.2 -44.2 -25.0 200.0 25.8 40.9 115 135 A Q H > S+ 0 0 40 107,-0.4 4,-2.7 3,-0.1 -1,-0.2 0.996 102.2 41.3 -61.3 -68.4 202.1 27.6 43.4 116 136 A A H > S+ 0 0 27 -3,-0.2 4,-3.5 2,-0.2 5,-0.2 0.861 112.9 50.5 -41.4 -63.8 199.6 27.7 46.3 117 137 A V H X S+ 0 0 5 -4,-1.3 4,-2.7 2,-0.2 3,-0.2 0.953 113.1 46.8 -42.8 -76.3 198.1 24.2 45.9 118 138 A A H X>S+ 0 0 2 -4,-1.0 4,-1.5 1,-0.3 5,-0.5 0.837 111.9 51.7 -31.2 -57.6 201.7 22.6 45.9 119 139 A S H X5S+ 0 0 30 -4,-2.7 4,-2.7 -5,-0.3 -1,-0.3 0.964 114.0 44.1 -45.6 -59.8 202.6 24.7 48.9 120 140 A A H X5S+ 0 0 31 -4,-3.5 4,-1.5 -3,-0.2 -2,-0.3 0.873 120.8 39.6 -51.8 -48.6 199.5 23.5 50.6 121 141 A I H >X5S+ 0 0 0 -4,-2.7 4,-1.5 -5,-0.2 3,-0.9 0.985 113.8 50.8 -65.9 -76.4 200.0 19.8 49.6 122 142 A G H 3X5S+ 0 0 0 -4,-1.5 4,-1.9 67,-0.4 5,-0.2 0.756 109.5 55.8 -26.6 -46.2 203.9 19.7 50.0 123 143 A R H 3XX S+ 0 0 3 -4,-1.5 4,-2.2 1,-0.3 3,-0.5 0.837 112.0 43.6 -41.1 -43.9 203.2 15.7 53.2 126 146 A E H 3X S+ 0 0 4 -4,-1.9 4,-2.0 -3,-0.4 -1,-0.3 0.912 105.9 62.0 -69.0 -41.1 205.9 17.1 55.3 127 147 A D H 3< S+ 0 0 13 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.697 115.4 34.1 -58.1 -15.0 203.4 17.3 58.1 128 148 A E H << S+ 0 0 13 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.654 105.0 69.5-108.5 -28.6 203.3 13.5 57.8 129 149 A A H < S+ 0 0 26 -4,-2.2 3,-0.4 -5,-0.3 2,-0.3 0.880 107.1 44.2 -56.1 -40.9 206.9 12.9 56.8 130 150 A R S < S+ 0 0 114 -4,-2.0 5,-0.0 1,-0.2 0, 0.0 -0.670 112.9 35.5 -98.8 157.8 207.7 13.9 60.4 131 151 A F S > S+ 0 0 21 -2,-0.3 4,-2.3 3,-0.1 -1,-0.2 0.722 83.3 145.1 68.1 15.8 205.6 12.4 63.2 132 152 A G H > S+ 0 0 28 -3,-0.4 4,-0.7 2,-0.2 3,-0.4 0.969 71.6 23.2 -49.3 -74.2 205.5 9.4 60.9 133 153 A R H >> S+ 0 0 179 1,-0.2 4,-3.9 2,-0.2 3,-1.4 0.901 121.9 57.7 -62.5 -43.7 205.5 6.6 63.4 134 154 A I H 3> S+ 0 0 9 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.816 103.3 55.2 -56.5 -32.0 204.0 8.8 66.2 135 155 A R H 3< S+ 0 0 21 -4,-2.3 -1,-0.3 -3,-0.4 -2,-0.2 0.737 120.9 31.5 -70.7 -25.6 201.1 9.4 63.8 136 156 A D H XX S+ 0 0 48 -3,-1.4 3,-2.3 -4,-0.7 4,-1.2 0.875 113.3 53.7 -97.3 -60.3 200.7 5.7 63.6 137 157 A L H 3X S+ 0 0 42 -4,-3.9 4,-1.1 1,-0.3 -3,-0.2 0.807 101.6 65.5 -48.9 -30.4 201.8 4.2 67.0 138 158 A E H 3X S+ 0 0 0 -4,-1.0 4,-3.2 -5,-0.5 -1,-0.3 0.864 100.8 51.7 -61.0 -34.1 199.3 6.6 68.5 139 159 A A H <> S+ 0 0 18 -3,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.976 103.4 52.6 -66.0 -58.5 196.6 4.6 66.7 140 160 A K H X S+ 0 0 131 -4,-1.2 4,-0.7 1,-0.2 -1,-0.2 0.771 117.6 46.1 -50.2 -22.7 197.6 1.2 67.9 141 161 A H H >< S+ 0 0 56 -4,-1.1 3,-0.5 -5,-0.3 -2,-0.2 0.946 108.4 46.1 -87.3 -55.9 197.4 2.9 71.3 142 162 A F H 3< S+ 0 0 7 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.308 107.4 69.0 -71.4 12.9 194.1 4.9 71.3 143 163 A K H 3< S+ 0 0 84 -4,-0.7 -1,-0.2 -5,-0.1 -2,-0.2 0.856 80.5 76.7 -94.9 -50.2 192.6 1.7 69.9 144 164 A K S << S- 0 0 164 -4,-0.7 0, 0.0 -3,-0.5 0, 0.0 -0.349 90.6-105.9 -64.0 142.1 192.9 -0.7 72.9 145 165 A N - 0 0 121 1,-0.1 2,-0.1 -2,-0.0 -1,-0.1 0.157 38.1-100.8 -57.5-176.8 190.3 -0.1 75.6 146 166 A V - 0 0 57 3,-0.1 2,-1.4 2,-0.1 -1,-0.1 -0.277 47.0 -68.7-100.5-173.5 191.0 1.6 79.0 147 167 A E S S- 0 0 141 -2,-0.1 -1,-0.1 1,-0.0 -2,-0.0 -0.641 79.2 -82.7 -83.6 88.9 191.7 0.3 82.5 148 168 A E S S+ 0 0 163 -2,-1.4 -2,-0.1 5,-0.0 -1,-0.0 0.040 78.4 120.3 48.2-155.7 188.3 -1.0 83.6 149 169 A Q - 0 0 103 -3,-0.1 -3,-0.1 3,-0.0 -1,-0.0 0.665 29.6-173.8 69.4 130.2 185.7 1.4 84.9 150 170 A L S > S+ 0 0 148 3,-0.1 4,-1.4 2,-0.0 -2,-0.0 0.718 77.3 51.5-114.8 -56.6 182.3 1.8 83.3 151 171 A N T >4 S+ 0 0 115 1,-0.2 3,-1.5 2,-0.2 4,-0.4 0.952 120.3 32.0 -47.6 -71.4 180.6 4.7 85.2 152 172 A K T 34 S+ 0 0 157 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.665 118.8 58.2 -65.0 -16.6 183.3 7.3 84.9 153 173 A R T 34 S+ 0 0 67 1,-0.2 -127,-0.7 -129,-0.1 -128,-0.7 0.648 77.3 92.1 -87.4 -15.8 184.3 5.8 81.6 154 174 A V S << S- 0 0 61 -3,-1.5 -1,-0.2 -4,-1.4 -2,-0.2 0.851 102.2-115.9 -44.9 -39.4 180.8 6.4 80.2 155 175 A G S S- 0 0 0 -3,-0.4 -1,-0.1 -4,-0.4 -3,-0.1 -0.116 83.3 -13.4 128.7 -37.2 182.2 9.8 78.9 156 176 A H S > S- 0 0 53 -5,-0.2 3,-2.0 -132,-0.1 -132,-0.1 0.273 79.8-120.2-170.7 -10.0 180.2 12.3 80.9 157 177 A V T 3 - 0 0 62 1,-0.3 3,-0.2 -6,-0.2 -5,-0.0 0.798 66.8 -75.8 59.9 28.8 177.3 10.4 82.4 158 178 A Y T 3 S+ 0 0 171 1,-0.2 2,-0.8 -4,-0.0 -1,-0.3 0.508 86.1 162.5 61.3 2.3 175.1 12.8 80.4 159 179 A K < - 0 0 129 -3,-2.0 2,-1.8 1,-0.1 3,-0.4 -0.371 36.5-143.3 -57.0 97.9 176.0 15.2 83.1 160 180 A K + 0 0 130 -2,-0.8 -1,-0.1 1,-0.2 -3,-0.0 -0.487 69.2 106.4 -68.2 85.8 175.0 18.5 81.4 161 181 A A S S- 0 0 76 -2,-1.8 -1,-0.2 -5,-0.0 -2,-0.1 0.259 80.8-123.4-143.2 -0.7 177.9 20.6 82.8 162 182 A F - 0 0 40 -3,-0.4 -2,-0.1 1,-0.1 145,-0.1 0.935 33.7-109.0 46.2 89.9 180.1 20.9 79.7 163 183 A M - 0 0 34 -4,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.116 32.0-140.1 -46.6 134.3 183.4 19.5 80.9 164 184 A Q - 0 0 147 1,-0.1 -141,-0.2 89,-0.1 -1,-0.1 -0.851 16.1-115.7-105.7 138.1 186.1 22.2 81.3 165 185 A V - 0 0 10 -2,-0.4 -1,-0.1 1,-0.1 2,-0.1 0.091 31.7-126.0 -55.7-179.5 189.6 21.6 80.3 166 186 A V - 0 0 35 88,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.161 22.3 -92.4-113.3-153.9 192.4 21.6 82.9 167 187 A E > - 0 0 119 -2,-0.1 4,-1.5 89,-0.0 3,-0.2 -0.806 38.1 -93.0-128.0 168.5 195.8 23.5 83.5 168 188 A A T 4 S+ 0 0 52 -2,-0.3 91,-0.0 1,-0.2 -1,-0.0 0.623 109.6 83.0 -52.5 -15.8 199.5 23.1 82.7 169 189 A D T 4 S+ 0 0 137 1,-0.2 -1,-0.2 3,-0.0 -3,-0.0 0.975 102.4 21.6 -51.9 -84.9 199.7 21.5 86.1 170 190 A M T 4 S+ 0 0 99 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.783 98.7 118.6 -56.7 -28.3 198.6 17.9 85.4 171 191 A L < - 0 0 32 -4,-1.5 2,-0.1 1,-0.1 -3,-0.0 -0.184 68.0-132.1 -47.0 107.0 199.7 18.6 81.9 172 192 A S > - 0 0 44 1,-0.2 3,-3.3 -2,-0.1 -1,-0.1 -0.410 12.5-122.2 -67.9 137.0 202.5 16.1 81.3 173 193 A K T 3 S+ 0 0 155 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 0.656 107.9 77.6 -53.0 -14.4 205.6 17.5 79.8 174 194 A G T 3 S+ 0 0 0 1,-0.2 2,-0.9 -169,-0.1 -1,-0.3 0.721 83.1 68.7 -70.5 -17.6 205.0 15.0 77.1 175 195 A L S < S+ 0 0 3 -3,-3.3 -1,-0.2 -161,-0.1 2,-0.2 -0.698 77.4 94.7-106.8 84.9 202.3 17.2 75.6 176 196 A L - 0 0 63 -2,-0.9 2,-0.3 -3,-0.1 87,-0.2 -0.417 65.5 -90.7-137.6-145.9 204.0 20.2 74.2 177 197 A G - 0 0 10 85,-0.4 2,-0.3 -2,-0.2 -175,-0.1 -0.996 23.2-172.4-146.9 150.9 205.3 21.5 70.9 178 198 A G - 0 0 36 -2,-0.3 85,-0.0 1,-0.1 -2,-0.0 -0.970 65.2 -21.5-149.2 129.3 208.5 21.5 68.8 179 199 A E - 0 0 103 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.905 56.6-176.7 37.5 80.6 209.5 23.2 65.6 180 200 A A + 0 0 9 92,-0.1 2,-0.4 94,-0.1 -1,-0.2 0.253 54.8 97.7 -87.1 12.8 206.1 23.9 64.1 181 201 A W S S- 0 0 62 1,-0.1 101,-0.0 2,-0.0 0, 0.0 -0.866 89.8 -97.2-107.5 136.3 207.8 25.3 61.1 182 202 A S - 0 0 34 -2,-0.4 4,-0.1 1,-0.2 -2,-0.1 -0.207 29.4-163.8 -48.7 125.7 208.4 23.3 57.9 183 203 A S + 0 0 53 -4,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.762 64.8 84.7 -86.7 -25.9 212.0 22.0 57.9 184 204 A W S S- 0 0 53 1,-0.1 2,-0.4 -61,-0.1 -58,-0.0 -0.184 89.6-102.4 -68.7 167.3 212.0 21.2 54.2 185 205 A H > - 0 0 84 1,-0.1 4,-2.1 558,-0.0 3,-0.4 -0.801 23.3-123.3 -95.8 133.7 213.0 23.9 51.7 186 206 A K H > S+ 0 0 50 -2,-0.4 4,-1.0 1,-0.2 -1,-0.1 0.804 112.0 64.9 -43.5 -32.6 210.1 25.5 49.7 187 207 A E H >> S+ 0 0 79 1,-0.2 3,-1.7 2,-0.2 4,-1.1 0.985 108.0 35.9 -52.9 -66.5 211.9 24.3 46.6 188 208 A D H 3> S+ 0 0 45 -3,-0.4 4,-1.8 1,-0.3 -2,-0.2 0.851 108.3 66.0 -57.2 -38.2 211.5 20.6 47.5 189 209 A S H 3X S+ 0 0 2 -4,-2.1 4,-1.5 1,-0.2 -67,-0.4 0.744 100.8 53.7 -58.0 -20.4 208.0 21.2 48.9 190 210 A I H X S+ 0 0 5 -4,-5.0 3,-1.9 1,-0.2 4,-1.6 0.948 112.2 57.4 -46.6 -56.2 199.0 16.8 42.0 198 218 A E H >X S+ 0 0 15 -4,-5.1 4,-1.6 1,-0.3 3,-1.4 0.897 111.0 40.7 -38.1 -64.8 200.6 15.3 38.9 199 219 A M H 3X S+ 0 0 1 -4,-2.8 4,-1.6 1,-0.3 -1,-0.3 0.615 108.2 63.3 -63.8 -14.7 199.6 11.8 39.9 200 220 A L H S- 0 0 94 -2,-0.4 3,-0.8 7,-0.2 -1,-0.2 0.904 84.1-153.9 38.1 77.2 196.6 34.7 30.3 214 234 A A T 3 S+ 0 0 49 -3,-0.4 3,-0.1 1,-0.2 5,-0.1 -0.117 70.4 30.2 -71.7 173.6 199.9 33.6 28.7 215 235 A G T 3 S+ 0 0 67 1,-0.2 2,-1.4 2,-0.1 -1,-0.2 0.441 85.6 127.9 58.2 -5.1 202.5 36.0 27.4 216 236 A V <> - 0 0 53 -3,-0.8 4,-1.1 -4,-0.2 3,-0.3 -0.659 48.7-161.1 -86.9 91.3 201.3 38.4 30.1 217 237 A V T 4 S+ 0 0 150 -2,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.541 88.6 29.9 -49.2 -9.8 204.5 39.3 31.9 218 238 A G T 4 S+ 0 0 59 3,-0.0 -1,-0.2 -3,-0.0 -2,-0.1 0.688 128.8 33.8-121.1 -30.8 202.6 40.4 34.9 219 239 A Q T 4 S+ 0 0 128 -3,-0.3 2,-0.5 -6,-0.1 -2,-0.2 -0.043 85.1 123.2-115.7 26.4 199.4 38.3 35.1 220 240 A D < + 0 0 54 -4,-1.1 2,-0.3 -5,-0.1 -7,-0.2 -0.812 31.7 127.0 -94.2 128.7 200.9 35.2 33.7 221 241 A S E - B 0 212A 38 -9,-1.3 -9,-1.8 -2,-0.5 2,-0.5 -0.961 52.6-111.6-168.7 164.9 200.5 32.1 35.9 222 242 A E E + B 0 211A 30 -2,-0.3 -108,-3.9 -11,-0.2 -107,-0.4 -0.943 34.8 177.9-113.9 127.3 199.3 28.5 36.0 223 243 A T E -AB 113 210A 9 -13,-1.8 -13,-2.6 -2,-0.5 2,-0.6 -0.899 26.8-123.4-127.9 159.7 196.2 27.4 38.0 224 244 A I E - B 0 209A 5 -112,-2.1 2,-0.6 -2,-0.3 -15,-0.3 -0.879 20.8-167.5-106.1 122.5 194.3 24.3 38.5 225 245 A E E - B 0 208A 29 -17,-2.6 -17,-1.5 -2,-0.6 144,-0.0 -0.918 28.8-116.4-112.7 110.8 190.5 24.4 37.7 226 246 A L E - B 0 207A 14 -2,-0.6 -19,-0.3 -19,-0.3 -20,-0.1 -0.065 38.1-101.8 -40.7 138.9 188.5 21.4 39.0 227 247 A A > - 0 0 21 -21,-3.7 4,-1.8 -22,-0.4 5,-0.1 -0.333 26.9-120.1 -65.1 146.6 187.0 19.3 36.2 228 248 A P H > S+ 0 0 83 0, 0.0 4,-4.2 0, 0.0 5,-0.3 0.906 105.2 65.6 -54.2 -51.2 183.3 19.9 35.5 229 249 A E H > S+ 0 0 152 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.900 109.0 37.4 -38.4 -63.5 182.2 16.3 36.2 230 250 A Y H 4 S+ 0 0 45 1,-0.2 -1,-0.2 2,-0.2 -23,-0.1 0.928 116.4 53.3 -57.9 -47.4 183.2 16.5 39.9 231 251 A A H >X S+ 0 0 21 -4,-1.8 3,-1.4 1,-0.2 4,-0.6 0.917 109.9 48.8 -53.3 -46.5 182.0 20.1 40.1 232 252 A E H >X S+ 0 0 121 -4,-4.2 4,-1.5 1,-0.3 3,-0.9 0.876 108.5 52.8 -62.6 -39.6 178.6 19.0 38.7 233 253 A A H 3< S+ 0 0 9 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.108 104.4 59.1 -86.8 24.4 178.4 16.1 41.2 234 254 A I H <4 S+ 0 0 6 -3,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.480 106.2 43.7-121.7 -16.8 179.0 18.5 44.1 235 255 A A H << S+ 0 0 12 -3,-0.9 -2,-0.2 -4,-0.6 -3,-0.1 0.743 132.5 21.4 -96.3 -31.3 176.1 20.7 43.5 236 256 A T S < S+ 0 0 84 -4,-1.5 2,-1.0 -5,-0.2 -3,-0.2 0.860 107.5 72.7-100.3 -66.5 173.7 17.9 42.8 237 257 A R S > S- 0 0 123 -5,-0.4 3,-1.2 2,-0.1 -1,-0.2 -0.345 82.5-141.2 -59.0 98.5 175.2 14.8 44.4 238 258 A A T 3 S+ 0 0 71 -2,-1.0 4,-0.1 1,-0.3 -3,-0.1 -0.194 81.7 18.9 -58.5 148.0 174.6 15.6 48.1 239 259 A G T > S+ 0 0 42 -5,-0.1 3,-2.8 2,-0.1 -1,-0.3 0.707 80.3 147.0 62.2 16.8 177.3 14.6 50.6 240 260 A A T < S+ 0 0 1 -3,-1.2 -186,-0.7 1,-0.3 3,-0.3 0.951 74.2 42.8 -50.3 -50.0 179.6 14.4 47.6 241 261 A L T > S+ 0 0 7 1,-0.2 3,-2.5 -7,-0.1 -1,-0.3 0.209 83.5 138.9 -81.7 19.8 182.5 15.6 49.8 242 262 A A T < S+ 0 0 25 -3,-2.8 -1,-0.2 1,-0.3 -2,-0.1 0.821 73.4 30.1 -26.6 -76.5 181.2 13.2 52.4 243 263 A G T 3 S+ 0 0 3 -3,-0.3 2,-0.5 -4,-0.2 -1,-0.3 0.528 100.1 105.1 -71.6 -1.6 184.5 11.8 53.6 244 264 A I < + 0 0 4 -3,-2.5 -3,-0.0 -4,-0.1 139,-0.0 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