==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-JUN-11 3B0X . COMPND 2 MOLECULE: DNA POLYMERASE BETA FAMILY (X FAMILY); . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR S.NAKANE,N.NAKAGAWA,R.MASUI,S.KURAMITSU,RIKEN STRUCTURAL . 575 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26115.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 414 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 6.4 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 29 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 207 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 2 1 2 0 6 3 2 0 2 0 0 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 1 1 1 1 1 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 . 3 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 1 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 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 0 145 0, 0.0 4,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 146.2 12.0 13.7 -17.3 2 2 A R > + 0 0 98 1,-0.1 4,-2.5 2,-0.1 5,-0.3 0.343 360.0 107.1-105.5 5.9 13.1 11.3 -20.0 3 3 A N H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.863 81.5 42.1 -52.9 -49.3 16.6 12.9 -20.4 4 4 A Q H > S+ 0 0 81 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.888 112.9 53.6 -69.1 -40.3 18.5 10.1 -18.7 5 5 A E H > S+ 0 0 102 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.899 112.9 44.1 -59.6 -43.4 16.5 7.3 -20.5 6 6 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.872 108.3 57.2 -71.8 -37.8 17.3 8.8 -23.9 7 7 A A H X S+ 0 0 7 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.905 108.6 48.5 -55.7 -42.6 20.9 9.5 -23.0 8 8 A R H X S+ 0 0 79 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.894 108.5 52.9 -64.0 -44.7 21.2 5.7 -22.3 9 9 A I H X S+ 0 0 21 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.944 112.3 43.9 -58.1 -51.1 19.5 4.8 -25.6 10 10 A F H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.880 112.7 52.6 -63.0 -40.1 21.9 6.9 -27.7 11 11 A E H X S+ 0 0 58 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.925 110.3 48.3 -59.0 -46.3 24.9 5.6 -25.7 12 12 A E H X S+ 0 0 17 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.881 109.6 52.2 -61.9 -41.7 23.8 2.0 -26.4 13 13 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.915 109.7 50.6 -59.3 -43.5 23.4 2.9 -30.1 14 14 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.919 113.0 45.0 -58.0 -46.9 27.0 4.3 -30.0 15 15 A L H X S+ 0 0 16 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.914 116.3 45.0 -64.6 -46.4 28.3 1.1 -28.3 16 16 A M H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.903 111.8 53.2 -68.0 -41.5 26.4 -1.2 -30.7 17 17 A S H <>S+ 0 0 4 -4,-2.9 5,-2.8 -5,-0.2 4,-0.5 0.901 111.3 45.7 -56.1 -46.0 27.4 0.8 -33.7 18 18 A E H <5S+ 0 0 61 -4,-2.1 3,-0.4 3,-0.2 -2,-0.2 0.867 110.6 53.6 -67.7 -37.9 31.1 0.6 -32.8 19 19 A F H <5S+ 0 0 8 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.924 112.9 43.7 -57.8 -47.2 30.7 -3.1 -32.1 20 20 A L T <5S- 0 0 55 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.521 121.0-113.7 -77.0 -9.1 29.2 -3.5 -35.6 21 21 A G T 5 + 0 0 62 -4,-0.5 -3,-0.2 -3,-0.4 -2,-0.1 0.899 53.8 166.8 77.6 43.9 31.9 -1.2 -37.0 22 22 A D < - 0 0 60 -5,-2.8 -1,-0.1 1,-0.2 5,-0.0 -0.186 53.5 -53.3 -75.2 174.2 29.9 1.8 -38.1 23 23 A N >> - 0 0 81 1,-0.2 4,-2.7 2,-0.1 3,-0.6 -0.332 44.9-140.8 -50.8 117.8 31.4 5.3 -39.0 24 24 A P H 3> S+ 0 0 86 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.785 105.6 58.1 -54.6 -27.1 33.6 6.4 -36.1 25 25 A F H 3> S+ 0 0 150 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.912 108.5 43.6 -64.3 -46.0 32.2 9.9 -36.8 26 26 A R H <> S+ 0 0 124 -3,-0.6 4,-2.0 2,-0.2 5,-0.2 0.898 112.7 53.1 -65.7 -43.4 28.7 8.5 -36.2 27 27 A V H X S+ 0 0 7 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.941 110.9 45.3 -56.5 -50.9 29.8 6.6 -33.1 28 28 A R H X S+ 0 0 155 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.863 110.4 56.6 -62.8 -36.3 31.4 9.7 -31.5 29 29 A A H X S+ 0 0 28 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.868 104.8 50.4 -61.9 -41.8 28.3 11.7 -32.4 30 30 A Y H X S+ 0 0 14 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.885 111.3 49.3 -64.9 -38.4 26.0 9.3 -30.5 31 31 A H H X S+ 0 0 41 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.839 110.9 49.0 -69.3 -34.1 28.2 9.6 -27.5 32 32 A Q H X S+ 0 0 107 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.875 109.7 52.1 -71.3 -36.7 28.2 13.4 -27.6 33 33 A A H X S+ 0 0 1 -4,-2.3 4,-2.1 27,-0.2 -2,-0.2 0.917 108.7 52.3 -62.6 -43.4 24.4 13.3 -27.9 34 34 A A H X S+ 0 0 7 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.906 108.3 49.8 -56.9 -46.5 24.4 11.1 -24.8 35 35 A R H X S+ 0 0 114 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.922 109.5 51.9 -60.1 -46.1 26.6 13.6 -22.9 36 36 A T H X S+ 0 0 22 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.924 112.7 44.2 -55.3 -45.9 24.3 16.5 -23.9 37 37 A L H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.888 111.8 53.5 -69.1 -38.5 21.2 14.6 -22.6 38 38 A Y H < S+ 0 0 31 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.907 115.3 40.2 -59.5 -44.1 23.0 13.5 -19.4 39 39 A D H < S+ 0 0 20 -4,-2.5 2,-0.4 -5,-0.2 -1,-0.2 0.612 88.6 110.4 -81.4 -15.0 23.9 17.2 -18.6 40 40 A L < - 0 0 27 -4,-1.1 4,-0.1 -3,-0.2 -37,-0.1 -0.495 42.3-177.0 -74.4 122.9 20.6 18.7 -19.7 41 41 A D + 0 0 41 -2,-0.4 -1,-0.2 2,-0.1 -38,-0.1 0.790 62.5 73.1 -88.7 -32.8 18.7 20.0 -16.7 42 42 A T S S- 0 0 69 1,-0.1 5,-0.1 2,-0.0 2,-0.0 -0.580 102.0 -89.2 -83.2 144.4 15.6 21.1 -18.5 43 43 A P >> - 0 0 36 0, 0.0 3,-1.2 0, 0.0 4,-0.8 -0.325 27.9-137.4 -54.7 128.9 13.1 18.4 -19.7 44 44 A I H 3> S+ 0 0 1 1,-0.3 4,-2.4 2,-0.2 3,-0.4 0.818 103.6 63.3 -56.7 -31.4 14.0 17.4 -23.3 45 45 A E H 3> S+ 0 0 56 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.845 95.0 58.7 -63.4 -34.0 10.3 17.4 -24.1 46 46 A E H <4 S+ 0 0 95 -3,-1.2 4,-0.4 2,-0.2 -1,-0.2 0.834 110.8 41.4 -65.9 -33.0 10.2 21.2 -23.4 47 47 A I H >< S+ 0 0 25 -4,-0.8 3,-0.9 -3,-0.4 4,-0.4 0.858 110.9 57.0 -78.6 -39.7 12.8 21.9 -26.1 48 48 A A H >< S+ 0 0 11 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.850 99.1 60.5 -58.9 -35.6 11.2 19.3 -28.5 49 49 A E T 3< S+ 0 0 140 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.792 97.7 59.2 -62.1 -29.4 7.9 21.3 -28.2 50 50 A K T < S- 0 0 165 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.597 118.2-107.0 -75.9 -14.2 9.7 24.3 -29.7 51 51 A G <> - 0 0 27 -3,-1.4 4,-1.6 -4,-0.4 -1,-0.2 -0.422 34.8 -58.2 116.3 174.2 10.5 22.2 -32.8 52 52 A K H > S+ 0 0 82 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.837 127.5 53.8 -60.9 -38.5 13.3 20.4 -34.8 53 53 A E H > S+ 0 0 154 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.880 105.8 52.5 -63.8 -43.2 15.4 23.6 -35.1 54 54 A A H >4 S+ 0 0 13 1,-0.2 3,-0.9 2,-0.2 4,-0.5 0.875 107.7 51.5 -61.7 -40.7 15.4 24.2 -31.3 55 55 A L H >< S+ 0 0 0 -4,-1.6 3,-1.2 1,-0.2 -1,-0.2 0.873 105.2 57.2 -61.4 -37.5 16.6 20.6 -30.7 56 56 A M H 3< S+ 0 0 64 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.612 91.8 70.7 -72.6 -11.6 19.4 21.2 -33.1 57 57 A E T << S+ 0 0 168 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.759 79.9 95.4 -70.8 -27.8 20.5 24.2 -31.0 58 58 A L S X S- 0 0 25 -3,-1.2 3,-1.8 -4,-0.5 -22,-0.0 -0.406 95.1 -95.8 -64.5 138.0 21.7 21.7 -28.3 59 59 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -23,-0.1 -0.344 108.4 11.3 -54.2 129.4 25.4 20.8 -28.5 60 60 A G T 3 S+ 0 0 44 1,-0.2 2,-0.7 -4,-0.1 -27,-0.2 0.251 95.1 119.1 90.3 -10.8 25.8 17.6 -30.5 61 61 A V < + 0 0 12 -3,-1.8 -1,-0.2 -6,-0.2 -31,-0.0 -0.814 33.8 168.2 -99.4 115.6 22.3 17.3 -31.9 62 62 A G > - 0 0 18 -2,-0.7 4,-2.7 -3,-0.1 5,-0.2 -0.399 54.9 -76.4-107.8-170.3 21.9 17.4 -35.8 63 63 A P H > S+ 0 0 69 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.872 129.5 50.4 -58.4 -40.4 19.0 16.6 -38.1 64 64 A D H > S+ 0 0 81 2,-0.2 4,-1.2 1,-0.2 -3,-0.1 0.919 114.7 41.5 -61.8 -50.4 19.4 12.8 -37.7 65 65 A L H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.866 109.3 58.5 -70.2 -39.6 19.4 12.9 -33.8 66 66 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.862 106.2 49.4 -58.4 -38.6 16.6 15.5 -33.5 67 67 A E H X S+ 0 0 89 -4,-1.4 4,-2.7 -5,-0.2 -1,-0.2 0.841 109.5 52.2 -69.9 -33.4 14.2 13.2 -35.4 68 68 A K H X S+ 0 0 28 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.839 107.7 52.1 -69.6 -33.7 15.2 10.3 -33.1 69 69 A I H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.947 112.0 45.4 -65.5 -49.9 14.4 12.5 -30.1 70 70 A L H X S+ 0 0 18 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.925 111.5 53.1 -58.5 -46.9 11.0 13.2 -31.6 71 71 A E H X>S+ 0 0 54 -4,-2.7 4,-2.6 1,-0.2 6,-0.6 0.916 110.2 48.0 -52.8 -48.0 10.5 9.5 -32.4 72 72 A F H X5S+ 0 0 4 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.879 112.9 47.4 -61.6 -40.3 11.3 8.6 -28.8 73 73 A L H <5S+ 0 0 32 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.801 118.8 40.7 -73.1 -28.0 8.9 11.2 -27.4 74 74 A R H <5S+ 0 0 183 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.793 132.2 19.2 -89.5 -33.8 6.1 10.2 -29.7 75 75 A T H <5S- 0 0 78 -4,-2.6 -3,-0.2 2,-0.3 -2,-0.2 0.596 94.3-121.0-114.5 -18.4 6.5 6.4 -29.6 76 76 A G S <> - 0 0 2 -2,-0.3 4,-1.7 1,-0.1 3,-0.8 -0.952 14.0-153.2-127.2 109.9 13.9 4.5 -31.2 79 79 A R H 3> S+ 0 0 163 -2,-0.4 4,-2.2 1,-0.3 5,-0.1 0.794 95.2 59.6 -55.1 -34.4 13.7 2.0 -34.1 80 80 A K H 3> S+ 0 0 86 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.921 105.1 48.7 -57.6 -47.4 17.5 2.3 -34.8 81 81 A H H <> S+ 0 0 22 -3,-0.8 4,-1.7 1,-0.2 -2,-0.2 0.903 112.7 49.0 -57.7 -42.9 18.2 1.1 -31.2 82 82 A E H X S+ 0 0 79 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.812 110.1 51.7 -66.2 -33.5 15.7 -1.8 -31.9 83 83 A E H X S+ 0 0 54 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.882 112.3 43.9 -70.5 -42.1 17.5 -2.6 -35.2 84 84 A L H X S+ 0 0 14 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.779 108.7 60.0 -72.9 -27.4 20.9 -2.7 -33.6 85 85 A S H < S+ 0 0 46 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.808 100.6 54.8 -67.2 -32.6 19.4 -4.8 -30.7 86 86 A R H < S+ 0 0 194 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.810 116.3 37.8 -67.6 -32.9 18.4 -7.4 -33.3 87 87 A K H < S+ 0 0 120 -4,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.709 119.2 51.0 -89.9 -25.2 22.0 -7.5 -34.4 88 88 A V S < S- 0 0 4 -4,-2.1 -1,-0.2 -5,-0.1 -72,-0.1 -0.911 79.0-148.0-122.6 102.7 23.5 -7.2 -30.9 89 89 A P > - 0 0 67 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.049 26.6-107.7 -54.7 171.1 22.2 -9.5 -28.1 90 90 A R H > S+ 0 0 144 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.904 114.4 52.0 -75.1 -43.2 21.9 -8.5 -24.5 91 91 A G H > S+ 0 0 21 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.858 110.5 48.0 -61.7 -40.0 24.8 -10.6 -23.1 92 92 A V H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.857 110.9 51.0 -71.6 -36.1 27.3 -9.3 -25.7 93 93 A L H X S+ 0 0 5 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.877 108.6 53.3 -64.8 -37.2 26.2 -5.7 -25.0 94 94 A E H < S+ 0 0 89 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.894 107.2 51.9 -62.6 -39.7 26.8 -6.5 -21.3 95 95 A V H >< S+ 0 0 1 -4,-1.7 3,-1.5 1,-0.2 7,-0.3 0.937 106.2 52.7 -62.9 -46.5 30.4 -7.7 -22.1 96 96 A M H 3< S+ 0 0 3 -4,-2.0 6,-1.7 1,-0.3 -1,-0.2 0.792 102.2 59.7 -64.7 -27.5 31.3 -4.6 -24.0 97 97 A E T 3< S+ 0 0 46 -4,-1.2 -1,-0.3 -3,-0.1 -2,-0.2 0.577 76.9 108.8 -79.3 -9.8 30.3 -2.2 -21.1 98 98 A V S X> S- 0 0 5 -3,-1.5 3,-2.4 -4,-0.4 4,-0.6 -0.522 86.6-101.4 -65.6 127.3 32.7 -3.8 -18.7 99 99 A P T 34 S+ 0 0 27 0, 0.0 48,-0.3 0, 0.0 49,-0.1 -0.278 109.8 23.5 -51.1 130.8 35.6 -1.3 -18.0 100 100 A G T 34 S+ 0 0 13 -4,-0.1 44,-0.1 47,-0.1 -3,-0.1 0.293 113.7 73.7 92.9 -8.8 38.6 -2.3 -20.1 101 101 A V T <4 + 0 0 8 -3,-2.4 4,-0.5 -5,-0.2 -5,-0.2 0.820 63.6 166.6 -94.5 -83.2 36.6 -4.3 -22.6 102 102 A G X - 0 0 21 -6,-1.7 4,-2.4 -4,-0.6 5,-0.1 0.029 52.9 -67.0 83.0 165.5 34.7 -1.9 -25.0 103 103 A P H > S+ 0 0 10 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.882 126.7 47.6 -57.0 -52.2 32.9 -2.6 -28.3 104 104 A K H > S+ 0 0 156 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.895 115.9 44.7 -63.3 -41.5 35.8 -3.5 -30.6 105 105 A T H > S+ 0 0 22 -4,-0.5 4,-3.0 1,-0.2 5,-0.2 0.929 109.9 56.4 -65.3 -46.4 37.4 -5.9 -28.1 106 106 A A H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.789 104.1 55.3 -52.0 -31.9 33.9 -7.4 -27.4 107 107 A R H X S+ 0 0 71 -4,-1.4 4,-3.2 2,-0.2 5,-0.3 0.921 109.4 43.7 -70.4 -44.8 33.7 -8.0 -31.2 108 108 A L H X>S+ 0 0 69 -4,-1.5 4,-2.5 1,-0.2 5,-0.8 0.923 115.9 49.8 -62.8 -44.7 36.9 -10.1 -31.2 109 109 A L H <5S+ 0 0 0 -4,-3.0 6,-2.4 3,-0.2 5,-0.4 0.812 114.2 45.6 -62.0 -34.8 35.7 -11.8 -28.1 110 110 A Y H <5S+ 0 0 97 -4,-1.9 4,-0.5 -5,-0.2 -2,-0.2 0.949 123.7 31.4 -72.1 -52.8 32.3 -12.5 -29.7 111 111 A E H <5S+ 0 0 128 -4,-3.2 -3,-0.2 1,-0.1 -2,-0.2 0.963 130.4 28.4 -72.5 -54.8 33.7 -13.7 -33.1 112 112 A G T <5S+ 0 0 57 -4,-2.5 -3,-0.2 -5,-0.3 -1,-0.1 0.762 128.9 30.8 -83.4 -29.4 37.0 -15.4 -32.2 113 113 A L S S- 0 0 23 1,-0.1 4,-2.3 -25,-0.1 5,-0.1 -0.971 80.4-114.7-148.8 158.9 28.2 -13.5 -21.9 118 118 A L H > S+ 0 0 16 -2,-0.3 4,-3.2 2,-0.2 5,-0.3 0.889 115.8 61.2 -59.7 -39.2 29.7 -12.4 -18.6 119 119 A E H > S+ 0 0 142 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.954 107.9 41.0 -50.3 -59.2 29.8 -16.1 -17.6 120 120 A K H > S+ 0 0 57 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.908 113.1 56.5 -56.6 -44.1 32.1 -16.9 -20.5 121 121 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.925 109.0 44.4 -55.2 -51.1 34.1 -13.7 -19.8 122 122 A K H X S+ 0 0 77 -4,-3.2 4,-3.0 2,-0.2 -1,-0.2 0.910 111.7 54.6 -59.7 -42.6 34.7 -14.7 -16.2 123 123 A A H X S+ 0 0 49 -4,-2.5 4,-1.7 -5,-0.3 6,-0.2 0.914 110.7 46.0 -55.1 -46.0 35.6 -18.3 -17.4 124 124 A A H X>S+ 0 0 0 -4,-2.7 5,-1.5 2,-0.2 4,-1.1 0.912 112.7 49.5 -64.6 -49.0 38.2 -16.8 -19.8 125 125 A L H ><5S+ 0 0 22 -4,-2.7 3,-0.5 1,-0.2 -2,-0.2 0.922 112.2 48.6 -51.4 -48.8 39.6 -14.4 -17.1 126 126 A D H 3<5S+ 0 0 94 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.816 114.6 43.7 -69.2 -31.6 39.9 -17.3 -14.6 127 127 A R H 3<5S- 0 0 188 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.568 110.5-114.1 -88.5 -12.5 41.7 -19.7 -17.0 128 128 A G T X<5S+ 0 0 19 -4,-1.1 3,-0.7 -3,-0.5 4,-0.5 0.530 73.1 135.8 84.7 9.8 44.1 -17.1 -18.5 129 129 A D G > < + 0 0 32 -5,-1.5 3,-1.4 -6,-0.2 -4,-0.2 0.870 68.2 54.9 -55.0 -40.9 42.5 -17.3 -22.0 130 130 A L G > S+ 0 0 6 -6,-0.7 3,-0.7 1,-0.3 -1,-0.2 0.804 92.6 70.5 -71.2 -25.5 42.5 -13.5 -22.4 131 131 A T G < S+ 0 0 91 -3,-0.7 -1,-0.3 1,-0.3 2,-0.2 0.710 87.7 69.5 -60.9 -23.2 46.3 -13.4 -21.8 132 132 A R G < S+ 0 0 191 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.3 -0.255 86.8 80.2 -90.5 41.5 46.6 -15.1 -25.2 133 133 A L S X S- 0 0 25 -3,-0.7 3,-1.0 3,-0.2 2,-0.2 -0.971 88.5-106.0-137.4 147.9 45.5 -12.0 -27.1 134 134 A K T 3 S+ 0 0 155 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.505 105.2 36.6 -69.5 145.2 47.6 -9.0 -28.0 135 135 A G T 3 S+ 0 0 58 -2,-0.2 2,-0.6 1,-0.2 -1,-0.2 0.497 92.1 114.4 88.1 7.7 46.7 -5.9 -25.9 136 136 A F < + 0 0 29 -3,-1.0 -3,-0.2 -5,-0.2 -1,-0.2 -0.930 31.5 147.0-120.1 110.1 46.2 -8.0 -22.8 137 137 A G > - 0 0 35 -2,-0.6 4,-2.8 -3,-0.1 5,-0.2 -0.701 63.9 -84.2-126.4-178.4 48.5 -7.7 -19.7 138 138 A P H > S+ 0 0 116 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.740 125.2 56.2 -63.3 -23.5 48.0 -8.0 -15.9 139 139 A K H > S+ 0 0 180 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.926 113.4 37.3 -73.3 -49.1 46.9 -4.4 -15.7 140 140 A R H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.867 114.6 58.4 -67.4 -37.0 44.0 -4.7 -18.2 141 141 A A H X S+ 0 0 32 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.895 107.2 46.6 -58.0 -43.7 43.3 -8.2 -16.8 142 142 A E H X S+ 0 0 129 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.861 110.7 52.5 -67.3 -40.8 42.8 -6.7 -13.3 143 143 A R H X S+ 0 0 109 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.901 110.3 47.7 -61.6 -43.1 40.5 -4.0 -14.7 144 144 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.920 111.3 48.1 -71.6 -45.6 38.2 -6.4 -16.5 145 145 A R H X S+ 0 0 105 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.933 115.8 45.5 -55.3 -49.0 37.8 -8.9 -13.6 146 146 A E H X S+ 0 0 85 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.912 110.5 54.2 -64.3 -41.0 37.0 -5.9 -11.3 147 147 A G H X S+ 0 0 2 -4,-2.6 4,-2.5 -48,-0.3 -1,-0.2 0.911 107.0 51.7 -56.8 -45.6 34.7 -4.4 -13.9 148 148 A L H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.910 108.4 50.6 -55.9 -47.2 32.8 -7.7 -14.0 149 149 A A H X S+ 0 0 42 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.890 111.0 49.0 -59.8 -39.9 32.4 -7.7 -10.2 150 150 A L H X S+ 0 0 15 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.904 110.6 50.9 -67.8 -40.7 31.0 -4.2 -10.3 151 151 A A H X S+ 0 0 48 -4,-2.5 4,-0.6 1,-0.2 3,-0.2 0.918 111.2 47.5 -59.3 -48.1 28.6 -5.1 -13.1 152 152 A Q H < S+ 0 0 62 -4,-2.4 4,-0.4 1,-0.2 3,-0.4 0.798 111.7 50.7 -69.0 -29.7 27.3 -8.1 -11.2 153 153 A A H >< S+ 0 0 38 -4,-1.8 3,-1.0 -5,-0.2 -1,-0.2 0.780 92.5 75.4 -75.1 -30.0 26.9 -6.1 -7.9 154 154 A A H 3< S+ 0 0 54 -4,-1.5 -1,-0.2 1,-0.3 44,-0.2 0.777 95.9 49.2 -58.9 -29.3 24.9 -3.2 -9.6 155 155 A G T 3< S+ 0 0 74 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.822 105.4 77.3 -70.6 -29.4 21.7 -5.4 -9.8 156 156 A K < - 0 0 146 -3,-1.0 2,-0.3 -4,-0.4 -3,-0.0 -0.129 68.1-133.7 -94.4 172.1 22.0 -6.4 -6.1 157 157 A R - 0 0 121 40,-0.0 40,-0.2 38,-0.0 -1,-0.1 -0.896 10.9-156.7-124.2 149.3 21.3 -5.0 -2.6 158 158 A R E -A 196 0A 112 38,-2.0 38,-2.6 -2,-0.3 5,-0.1 -0.924 36.4 -90.6-120.4 152.2 23.4 -4.9 0.6 159 159 A P E >> -A 195 0A 21 0, 0.0 3,-1.5 0, 0.0 4,-0.8 -0.355 36.3-123.9 -57.3 139.8 22.2 -4.5 4.2 160 160 A L H >> S+ 0 0 1 34,-2.3 4,-2.2 1,-0.3 3,-1.4 0.907 110.7 53.7 -52.9 -45.4 22.1 -0.9 5.1 161 161 A G H 34 S+ 0 0 4 343,-0.4 4,-0.4 33,-0.3 -1,-0.3 0.656 99.3 63.5 -69.1 -16.1 24.4 -1.5 8.1 162 162 A A H <4 S+ 0 0 36 -3,-1.5 -1,-0.3 342,-0.2 -2,-0.2 0.731 121.1 19.9 -72.9 -24.2 27.0 -3.2 5.9 163 163 A V H S+ 0 0 48 -4,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.905 114.6 50.4 -63.9 -37.4 29.6 3.6 8.0 166 166 A L H > S+ 0 0 72 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.917 109.4 51.6 -65.0 -41.6 31.6 3.3 4.7 167 167 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.895 108.4 52.3 -60.1 -38.7 29.1 5.8 3.1 168 168 A R H X S+ 0 0 99 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.830 104.8 54.6 -70.4 -31.1 29.7 8.2 6.1 169 169 A S H X S+ 0 0 70 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.916 110.2 46.3 -67.4 -39.4 33.5 8.0 5.6 170 170 A L H X S+ 0 0 3 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.919 108.1 57.9 -65.7 -40.3 33.0 9.0 2.0 171 171 A L H X S+ 0 0 8 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.898 103.1 53.4 -55.9 -40.1 30.6 11.8 3.2 172 172 A E H X S+ 0 0 149 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.921 110.7 46.1 -59.6 -44.9 33.4 13.2 5.3 173 173 A A H < S+ 0 0 18 -4,-1.5 4,-0.4 2,-0.2 -2,-0.2 0.869 112.9 49.9 -66.7 -39.3 35.7 13.3 2.3 174 174 A I H >< S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.942 109.6 50.6 -63.7 -46.2 33.0 14.9 0.1 175 175 A R H 3< S+ 0 0 124 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.815 107.1 56.6 -59.5 -31.9 32.2 17.6 2.8 176 176 A A T 3< S+ 0 0 80 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.514 78.0 114.1 -81.1 -8.2 36.0 18.3 2.9 177 177 A L S X S- 0 0 18 -3,-1.6 3,-1.9 -4,-0.4 2,-0.2 -0.435 78.1-113.9 -62.2 133.5 36.2 19.1 -0.8 178 178 A P T 3 S+ 0 0 121 0, 0.0 36,-0.1 0, 0.0 3,-0.1 -0.486 106.4 31.9 -64.7 134.7 37.0 22.8 -1.3 179 179 A G T 3 S+ 0 0 44 1,-0.3 2,-0.5 -2,-0.2 27,-0.5 0.148 91.4 111.5 102.1 -24.5 34.0 24.4 -2.9 180 180 A V < + 0 0 17 -3,-1.9 -1,-0.3 1,-0.2 25,-0.2 -0.769 38.4 176.4 -86.7 125.3 31.5 22.0 -1.2 181 181 A E - 0 0 111 23,-3.0 2,-0.3 -2,-0.5 -1,-0.2 0.792 67.2 -1.3 -95.3 -37.0 29.4 23.9 1.3 182 182 A R E +B 204 0B 133 22,-0.9 22,-2.9 -8,-0.1 -1,-0.4 -0.982 63.6 178.6-149.4 152.0 27.0 21.1 2.5 183 183 A A E -B 203 0B 2 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.986 2.1-175.6-154.2 155.7 26.6 17.5 1.6 184 184 A E E -B 202 0B 59 18,-2.0 18,-2.4 -2,-0.3 2,-0.6 -0.997 32.1-116.0-151.1 147.5 24.4 14.6 2.7 185 185 A L E +B 201 0B 8 -2,-0.3 16,-0.2 16,-0.2 2,-0.1 -0.775 50.4 164.5 -79.5 118.5 23.9 10.9 2.1 186 186 A C >> + 0 0 1 14,-3.2 4,-1.3 -2,-0.6 3,-0.6 0.084 24.7 73.4-112.3-139.4 20.4 10.7 0.6 187 187 A G H >> S- 0 0 5 72,-2.0 4,-0.9 1,-0.2 3,-0.7 -0.037 111.5 -30.7 54.8-157.6 18.5 8.0 -1.3 188 188 A S H 34>S+ 0 0 17 10,-0.3 5,-2.0 1,-0.2 3,-0.2 0.784 133.7 67.3 -66.4 -23.5 17.1 4.9 0.4 189 189 A A H X45S+ 0 0 4 -3,-0.6 3,-1.7 1,-0.2 -1,-0.2 0.914 98.5 50.7 -62.0 -43.2 19.9 5.0 3.0 190 190 A R H <<5S+ 0 0 42 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.781 107.8 54.5 -66.6 -22.9 18.6 8.3 4.4 191 191 A R T 3<5S- 0 0 25 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.429 113.1-122.9 -86.2 -1.3 15.2 6.6 4.7 192 192 A Y T < 5 + 0 0 44 -3,-1.7 -3,-0.2 -4,-0.2 -2,-0.1 0.713 44.6 175.0 64.8 25.8 16.8 3.8 6.7 193 193 A K < - 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0 0 8 3,-2.7 -16,-0.1 -2,-0.3 -2,-0.0 -0.734 60.7 -63.2-147.1-160.6 29.2 15.7 -16.2 229 229 A K S S+ 0 0 117 -2,-0.2 -17,-0.3 1,-0.2 -16,-0.1 0.791 127.8 9.9 -68.1 -29.4 28.7 19.2 -15.1 230 230 A E S S+ 0 0 61 1,-0.1 16,-2.6 -19,-0.1 2,-0.3 0.280 124.2 42.2-137.9 8.8 26.5 18.5 -12.1 231 231 A R E + E 0 245B 13 14,-0.2 -3,-2.7 2,-0.0 2,-0.3 -0.989 48.9 178.9-155.2 159.4 26.6 14.7 -11.5 232 232 A A E -DE 227 244B 1 12,-1.7 12,-2.9 -2,-0.3 2,-0.4 -0.974 17.0-149.5-156.7 155.2 28.8 11.6 -11.5 233 233 A T E +DE 226 243B 20 -7,-2.6 -8,-2.5 -2,-0.3 -7,-1.9 -1.000 30.4 167.8-125.4 127.5 28.6 7.9 -10.9 234 234 A V E -DE 224 242B 0 8,-2.7 8,-2.9 -2,-0.4 2,-0.5 -0.880 32.2-133.2-132.4 164.0 31.7 6.3 -9.5 235 235 A F E -DE 223 241B 16 -12,-2.7 -13,-2.7 -2,-0.3 -12,-1.9 -0.988 27.4-138.6-115.7 131.1 32.9 3.0 -8.0 236 236 A L E > -D 221 0B 6 4,-2.7 3,-2.1 -2,-0.5 -15,-0.3 -0.426 23.7-111.4 -81.9 161.4 35.1 3.3 -4.9 237 237 A K T 3 S+ 0 0 144 -17,-3.2 -16,-0.1 1,-0.3 -1,-0.1 0.847 120.9 56.7 -55.3 -33.6 38.1 1.2 -4.2 238 238 A N T 3 S- 0 0 79 -18,-0.4 -1,-0.3 2,-0.1 -17,-0.1 0.362 124.0-104.7 -85.1 6.6 36.1 -0.5 -1.4 239 239 A G S < S+ 0 0 20 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.069 70.8 142.7 101.0 -22.4 33.4 -1.5 -4.0 240 240 A L - 0 0 3 -5,-0.1 -4,-2.7 1,-0.1 2,-0.5 -0.270 44.0-141.6 -59.6 134.2 30.6 1.0 -3.2 241 241 A Q E - E 0 235B 42 -6,-0.2 -42,-2.6 -44,-0.1 2,-0.4 -0.888 28.6-171.1 -97.4 125.5 28.7 2.3 -6.3 242 242 A V E -cE 199 234B 0 -8,-2.9 -8,-2.7 -2,-0.5 2,-0.4 -0.974 21.5-161.6-132.6 129.7 28.0 6.0 -5.7 243 243 A D E -cE 200 233B 42 -44,-3.0 -42,-2.8 -2,-0.4 2,-0.4 -0.887 13.2-164.6-101.8 138.1 25.9 8.7 -7.5 244 244 A L E -cE 201 232B 2 -12,-2.9 -12,-1.7 -2,-0.4 2,-0.4 -0.981 6.0-174.6-118.5 137.8 26.6 12.3 -6.8 245 245 A R E -cE 202 231B 40 -44,-2.4 -42,-2.4 -2,-0.4 2,-0.4 -0.993 8.9-156.6-127.6 140.4 24.4 15.3 -7.6 246 246 A V E +c 203 0B 5 -16,-2.6 -42,-0.2 -2,-0.4 -38,-0.0 -0.924 14.0 172.9-113.6 137.6 25.3 18.9 -7.2 247 247 A V E -c 204 0B 2 -44,-2.6 -42,-2.2 -2,-0.4 5,-0.1 -0.950 40.3 -92.5-133.9 160.9 22.9 21.8 -6.8 248 248 A P > - 0 0 58 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.297 43.4-106.6 -65.9 157.2 23.5 25.5 -6.0 249 249 A P G > S+ 0 0 16 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.846 120.4 59.9 -56.3 -33.3 23.4 26.4 -2.3 250 250 A E G 3 S+ 0 0 54 1,-0.2 4,-0.1 2,-0.1 46,-0.1 0.615 109.6 44.9 -67.9 -13.0 20.0 28.1 -2.7 251 251 A S G <> S+ 0 0 7 -3,-2.2 4,-2.7 44,-0.1 -1,-0.2 0.330 78.6 108.2-108.7 2.1 18.7 24.8 -3.9 252 252 A Y H <> S+ 0 0 6 -3,-1.3 4,-2.5 -4,-0.4 43,-0.2 0.857 79.5 47.9 -57.8 -44.7 20.1 22.5 -1.3 253 253 A G H > S+ 0 0 0 41,-1.5 4,-2.0 -4,-0.3 -1,-0.2 0.900 113.6 47.1 -64.4 -41.0 16.9 21.7 0.5 254 254 A A H > S+ 0 0 0 40,-1.7 4,-2.7 -3,-0.2 -2,-0.2 0.888 111.9 52.1 -65.5 -38.0 15.0 21.0 -2.7 255 255 A G H X S+ 0 0 0 -4,-2.7 4,-2.7 39,-0.4 -2,-0.2 0.897 107.6 52.0 -65.1 -38.0 17.9 18.8 -3.8 256 256 A L H X S+ 0 0 13 -4,-2.5 4,-1.5 -5,-0.2 -2,-0.2 0.932 111.3 46.3 -62.6 -44.9 17.8 16.9 -0.5 257 257 A Q H X S+ 0 0 5 -4,-2.0 4,-1.9 1,-0.2 3,-0.5 0.967 114.4 48.7 -62.9 -50.5 14.1 16.2 -0.9 258 258 A Y H < S+ 0 0 95 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.930 115.4 42.0 -51.5 -53.6 14.6 15.2 -4.6 259 259 A L H < S+ 0 0 20 -4,-2.7 -72,-2.0 1,-0.2 -1,-0.2 0.655 112.4 54.4 -79.0 -12.7 17.5 12.8 -3.9 260 260 A T H < S+ 0 0 1 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.797 88.9 132.8 -86.4 -31.8 15.9 11.3 -0.7 261 261 A G < - 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