==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 25-AUG-09 3ISC . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.A.BEARD,D.D.SHOCK,V.K.BATRA,L.C.PEDERSEN,S.H.WILSON . 327 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 8.9 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 17 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 0 1 2 3 0 1 0 2 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 7 A P 0 0 103 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 153.8 19.8 -16.3 5.7 2 8 A Q >> - 0 0 58 1,-0.1 3,-2.1 40,-0.0 4,-0.7 -0.812 360.0-117.0-112.8 153.3 20.2 -16.8 9.5 3 9 A E H >> S+ 0 0 80 -2,-0.3 4,-2.1 1,-0.3 3,-0.6 0.932 114.6 58.0 -50.0 -53.6 22.0 -14.7 12.1 4 10 A T H 34 S+ 0 0 137 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.595 94.4 72.8 -56.3 -9.7 24.4 -17.5 12.9 5 11 A L H <4 S- 0 0 48 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.980 130.1 -14.7 -70.8 -58.3 25.4 -17.4 9.2 6 12 A N H S+ 0 0 34 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.940 111.3 42.8 -60.0 -46.4 29.7 -12.1 13.7 9 15 A I H > S+ 0 0 3 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.939 116.3 45.8 -66.2 -48.5 30.4 -9.9 10.7 10 16 A T H X S+ 0 0 22 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.873 112.6 50.9 -65.5 -35.9 27.1 -8.0 10.8 11 17 A D H X S+ 0 0 109 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.931 111.0 50.2 -64.7 -43.1 27.4 -7.5 14.6 12 18 A M H X S+ 0 0 5 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.934 112.2 45.8 -58.3 -50.3 30.9 -6.2 14.1 13 19 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.888 112.2 51.6 -63.3 -39.1 29.8 -3.8 11.3 14 20 A T H X S+ 0 0 64 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.887 109.5 49.5 -66.1 -38.4 26.8 -2.6 13.3 15 21 A E H X S+ 0 0 45 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.917 111.9 48.3 -66.5 -41.5 29.0 -1.9 16.4 16 22 A L H X S+ 0 0 16 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.912 108.2 57.1 -62.3 -40.9 31.4 0.1 14.2 17 23 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.913 105.4 49.7 -56.0 -47.1 28.4 1.9 12.7 18 24 A N H X S+ 0 0 52 -4,-2.1 4,-3.2 1,-0.2 5,-0.4 0.901 108.4 50.9 -63.0 -42.1 27.3 3.1 16.2 19 25 A F H X>S+ 0 0 12 -4,-1.9 5,-2.5 1,-0.2 4,-1.9 0.871 109.1 52.5 -65.2 -33.2 30.7 4.4 17.2 20 26 A E H <>S+ 0 0 25 -4,-1.9 6,-2.8 3,-0.2 5,-0.6 0.936 117.2 38.4 -65.2 -44.7 30.9 6.4 13.9 21 27 A K H <5S+ 0 0 60 -4,-2.0 -2,-0.2 4,-0.2 -3,-0.2 0.952 127.7 30.3 -71.2 -50.2 27.5 8.0 14.6 22 28 A N H <5S+ 0 0 7 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.748 133.6 21.2 -85.9 -26.2 27.7 8.5 18.3 23 29 A V T <5S+ 0 0 17 -4,-1.9 -3,-0.2 -5,-0.4 -4,-0.1 0.812 131.3 32.8-109.9 -50.3 31.4 9.1 19.0 24 30 A S T > + 0 0 29 -6,-2.8 4,-2.1 1,-0.1 3,-0.9 -0.766 24.4 177.6-124.8 79.3 30.4 10.8 11.0 27 33 A I H 3> S+ 0 0 78 -2,-0.4 4,-2.2 1,-0.3 5,-0.2 0.814 77.6 55.2 -55.0 -36.6 26.8 10.0 10.0 28 34 A H H 3> S+ 0 0 156 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.818 108.6 47.6 -70.8 -29.2 27.7 9.0 6.4 29 35 A K H <> S+ 0 0 122 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.860 108.0 57.2 -75.9 -35.8 30.2 6.4 7.7 30 36 A Y H X S+ 0 0 33 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.940 111.0 42.6 -57.1 -48.3 27.5 5.2 10.1 31 37 A N H X S+ 0 0 68 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.810 108.6 58.5 -70.9 -29.0 25.2 4.6 7.1 32 38 A A H X S+ 0 0 49 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.952 109.4 45.1 -64.1 -46.5 28.0 3.0 5.1 33 39 A Y H X S+ 0 0 27 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.882 112.9 50.6 -64.0 -38.3 28.5 0.4 7.8 34 40 A R H X S+ 0 0 115 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.912 109.6 50.6 -65.4 -42.3 24.7 -0.2 8.1 35 41 A K H X S+ 0 0 127 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.922 111.8 47.9 -60.6 -44.5 24.5 -0.6 4.3 36 42 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 22,-0.3 -1,-0.2 0.900 111.4 49.9 -63.7 -41.5 27.3 -3.1 4.4 37 43 A A H X S+ 0 0 7 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.898 111.9 49.0 -64.9 -39.9 25.7 -5.0 7.3 38 44 A S H X S+ 0 0 60 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.940 110.6 47.4 -65.7 -49.8 22.4 -5.2 5.6 39 45 A V H < S+ 0 0 33 -4,-2.4 4,-0.4 1,-0.2 3,-0.2 0.867 116.7 45.8 -61.3 -35.7 23.7 -6.5 2.2 40 46 A I H >< S+ 0 0 1 -4,-1.9 3,-1.0 -5,-0.2 -1,-0.2 0.870 105.6 59.1 -74.3 -37.8 25.7 -9.1 4.1 41 47 A A H 3< S+ 0 0 52 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.732 109.1 46.2 -63.2 -21.4 22.8 -10.1 6.4 42 48 A K T 3< S+ 0 0 124 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.541 83.9 110.5 -96.9 -11.3 20.9 -11.0 3.2 43 49 A Y < - 0 0 50 -3,-1.0 2,-0.9 -4,-0.4 4,-0.1 -0.542 64.6-145.7 -67.8 118.0 23.7 -12.9 1.7 44 50 A P S S+ 0 0 78 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.136 71.3 71.7 -80.7 41.1 22.6 -16.6 1.7 45 51 A H S S- 0 0 108 -2,-0.9 2,-0.8 0, 0.0 -2,-0.1 -0.989 86.8-108.7-154.5 144.1 26.2 -17.9 2.3 46 52 A K - 0 0 141 -2,-0.3 -40,-0.1 1,-0.1 2,-0.0 -0.665 47.2-121.1 -76.7 113.8 28.7 -18.0 5.1 47 53 A I - 0 0 4 -2,-0.8 3,-0.1 1,-0.1 -1,-0.1 -0.305 28.4-174.0 -58.9 131.5 31.4 -15.6 3.9 48 54 A K + 0 0 176 1,-0.2 2,-0.3 -2,-0.0 -1,-0.1 0.546 64.8 8.2-103.2 -13.4 34.8 -17.2 3.6 49 55 A S > - 0 0 39 1,-0.1 4,-1.6 22,-0.0 -1,-0.2 -0.993 67.1-111.8-162.1 163.8 36.8 -14.0 2.7 50 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 15,-0.1 0.861 116.4 59.2 -67.8 -34.3 36.8 -10.2 2.5 51 57 A A H > S+ 0 0 62 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.900 103.7 50.6 -60.1 -42.1 37.1 -10.6 -1.3 52 58 A E H >4 S+ 0 0 35 1,-0.2 3,-1.1 2,-0.2 4,-0.2 0.932 112.4 46.7 -61.2 -46.5 33.9 -12.6 -1.5 53 59 A A H >< S+ 0 0 0 -4,-1.6 3,-2.1 1,-0.2 6,-0.2 0.834 99.9 68.5 -65.9 -33.0 32.1 -9.9 0.6 54 60 A K H 3< S+ 0 0 100 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.682 86.1 69.2 -62.1 -18.1 33.6 -7.1 -1.6 55 61 A K T << S+ 0 0 173 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.672 83.7 89.7 -73.3 -16.6 31.5 -8.3 -4.5 56 62 A L S X S- 0 0 25 -3,-2.1 3,-2.1 -4,-0.2 2,-0.2 -0.646 92.7-105.9 -85.2 135.3 28.4 -7.1 -2.6 57 63 A P T 3 S+ 0 0 95 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.408 107.8 29.3 -61.1 123.7 27.3 -3.5 -3.2 58 64 A G T 3 S+ 0 0 31 1,-0.2 2,-0.7 -2,-0.2 -22,-0.3 0.149 95.2 101.0 112.6 -19.0 28.2 -1.5 -0.1 59 65 A V < + 0 0 6 -3,-2.1 -1,-0.2 -6,-0.2 2,-0.1 -0.899 51.4 172.0-102.4 115.1 31.2 -3.5 0.9 60 66 A G > - 0 0 32 -2,-0.7 4,-1.8 -3,-0.1 5,-0.2 -0.220 48.6 -69.5-107.4-161.6 34.4 -1.9 -0.1 61 67 A T H > S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.914 125.8 47.0 -57.6 -48.9 38.2 -2.3 0.4 62 68 A K H > S+ 0 0 142 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.912 113.5 44.9 -63.8 -48.3 38.2 -1.3 4.1 63 69 A I H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.854 111.3 55.9 -66.3 -32.6 35.3 -3.5 5.2 64 70 A A H X S+ 0 0 8 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.925 107.8 48.3 -63.7 -43.7 36.7 -6.4 3.2 65 71 A E H X S+ 0 0 122 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.901 110.8 50.8 -62.5 -41.6 40.0 -6.0 5.1 66 72 A K H X S+ 0 0 23 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.887 107.8 53.0 -64.4 -38.6 38.1 -5.9 8.4 67 73 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.895 106.9 52.8 -64.6 -38.1 36.3 -9.1 7.4 68 74 A D H X S+ 0 0 76 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.931 110.5 47.3 -62.4 -43.8 39.6 -10.8 6.7 69 75 A E H X S+ 0 0 63 -4,-2.1 4,-2.6 1,-0.2 6,-0.5 0.927 113.4 47.9 -63.0 -45.4 40.9 -9.8 10.2 70 76 A F H X S+ 0 0 47 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.898 112.2 49.2 -62.7 -41.6 37.7 -11.0 11.8 71 77 A L H < S+ 0 0 69 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.869 117.6 40.1 -67.0 -36.9 37.7 -14.3 9.9 72 78 A A H < S+ 0 0 88 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.821 133.6 19.6 -82.3 -33.0 41.3 -15.1 10.8 73 79 A T H < S- 0 0 81 -4,-2.6 -3,-0.2 2,-0.3 -2,-0.2 0.580 95.1-121.2-114.0 -15.1 41.4 -13.9 14.4 74 80 A G S < S+ 0 0 51 -4,-2.4 2,-0.3 -5,-0.4 -4,-0.2 0.693 85.5 42.9 80.9 17.6 37.7 -13.8 15.5 75 81 A K S S- 0 0 101 -6,-0.5 2,-0.4 -9,-0.1 -2,-0.3 -0.974 78.6-108.3-173.0 177.7 37.8 -10.1 16.3 76 82 A L > - 0 0 4 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.989 16.5-147.3-126.9 120.3 38.9 -6.6 15.3 77 83 A R H > S+ 0 0 192 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.904 100.2 50.2 -52.9 -46.4 41.8 -4.9 17.1 78 84 A K H > S+ 0 0 158 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.904 112.7 45.8 -60.3 -42.6 40.2 -1.4 16.6 79 85 A L H > S+ 0 0 6 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.923 111.3 52.1 -67.3 -43.8 36.8 -2.5 17.8 80 86 A E H X S+ 0 0 73 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.907 112.3 47.8 -57.4 -43.0 38.3 -4.3 20.9 81 87 A K H X S+ 0 0 137 -4,-2.3 4,-0.8 -5,-0.2 3,-0.4 0.952 112.6 44.6 -65.5 -52.4 40.2 -1.2 21.7 82 88 A I H >< S+ 0 0 46 -4,-2.5 3,-0.8 1,-0.2 7,-0.3 0.888 108.8 60.6 -62.7 -34.4 37.3 1.3 21.4 83 89 A R H 3< S+ 0 0 117 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.892 108.5 42.1 -57.9 -41.8 35.1 -1.1 23.3 84 90 A Q H 3< S+ 0 0 104 -4,-1.5 2,-0.7 -3,-0.4 -1,-0.3 0.539 87.7 112.9 -84.3 -5.9 37.4 -0.9 26.3 85 91 A D S+ 0 0 86 -2,-0.7 4,-1.2 1,-0.2 -1,-0.2 0.899 90.5 42.1 -51.2 -50.6 36.0 4.4 29.0 87 93 A T H > S+ 0 0 60 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.956 118.0 42.7 -66.2 -52.3 35.2 7.7 27.4 88 94 A S H > S+ 0 0 22 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.898 113.2 51.1 -64.1 -43.2 34.1 6.4 23.9 89 95 A S H X S+ 0 0 40 -4,-2.7 4,-1.9 -7,-0.3 -1,-0.2 0.833 112.3 49.5 -64.6 -29.9 32.0 3.5 25.3 90 96 A S H X S+ 0 0 13 -4,-1.2 4,-2.7 -5,-0.3 -2,-0.2 0.889 110.8 47.2 -75.4 -41.6 30.3 5.9 27.6 91 97 A I H X S+ 0 0 2 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.972 114.2 48.2 -63.2 -50.0 29.5 8.4 24.9 92 98 A N H < S+ 0 0 30 -4,-2.7 3,-0.4 1,-0.2 -2,-0.2 0.922 113.5 48.8 -55.1 -46.3 28.2 5.7 22.7 93 99 A F H >< S+ 0 0 51 -4,-1.9 3,-2.3 -5,-0.2 -1,-0.2 0.937 104.3 56.4 -60.4 -52.5 26.1 4.3 25.5 94 100 A L H >< S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.3 -1,-0.2 0.761 92.3 70.2 -54.6 -28.8 24.5 7.5 26.7 95 101 A T T 3< S+ 0 0 22 -4,-1.3 -1,-0.3 -3,-0.4 4,-0.2 0.594 79.6 78.9 -67.4 -6.8 23.0 8.2 23.2 96 102 A R T < S+ 0 0 126 -3,-2.3 2,-0.5 -4,-0.2 -1,-0.3 0.640 75.2 90.5 -73.3 -13.4 20.7 5.2 23.9 97 103 A V S X S- 0 0 1 -3,-2.0 3,-2.0 -4,-0.2 2,-0.2 -0.737 91.8-117.9 -83.4 124.9 18.7 7.7 25.9 98 104 A S T 3 S+ 0 0 40 -2,-0.5 35,-0.4 35,-0.3 36,-0.2 -0.487 103.6 29.7 -64.2 128.4 16.1 9.3 23.7 99 105 A G T 3 S+ 0 0 32 -2,-0.2 2,-0.8 1,-0.2 -1,-0.3 -0.001 98.1 98.9 108.1 -27.9 16.9 13.0 23.7 100 106 A I < + 0 0 5 -3,-2.0 -1,-0.2 -6,-0.2 -3,-0.1 -0.842 51.1 171.7 -97.4 110.3 20.6 12.5 24.2 101 107 A G > - 0 0 29 -2,-0.8 4,-2.6 -3,-0.1 5,-0.3 -0.276 53.0 -74.5-100.8-168.6 22.4 12.7 20.8 102 108 A P H > S+ 0 0 40 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.876 130.2 49.5 -56.9 -41.7 26.1 12.7 20.0 103 109 A S H > S+ 0 0 79 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.950 114.1 42.8 -65.4 -49.4 26.6 16.3 21.2 104 110 A A H > S+ 0 0 20 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.909 113.6 51.7 -63.7 -43.8 24.9 15.9 24.5 105 111 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.904 110.8 49.4 -60.2 -41.9 26.5 12.5 25.2 106 112 A R H X S+ 0 0 106 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.939 112.1 47.3 -62.0 -48.6 29.9 14.1 24.5 107 113 A K H X S+ 0 0 139 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.929 113.2 48.4 -60.1 -46.7 29.2 17.0 26.8 108 114 A F H ><>S+ 0 0 10 -4,-3.0 5,-2.4 1,-0.2 3,-0.9 0.970 113.0 46.5 -59.2 -53.7 28.0 14.8 29.6 109 115 A V H ><5S+ 0 0 7 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.886 107.2 58.8 -57.5 -38.8 31.0 12.4 29.4 110 116 A D H 3<5S+ 0 0 103 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.839 109.0 45.4 -58.9 -33.9 33.3 15.4 29.3 111 117 A E T <<5S- 0 0 89 -4,-1.4 -1,-0.3 -3,-0.9 -2,-0.2 0.131 127.6 -95.1 -98.0 20.9 31.9 16.5 32.7 112 118 A G T < 5S+ 0 0 44 -3,-1.8 2,-0.9 1,-0.2 -3,-0.2 0.496 84.0 129.2 84.8 3.1 32.1 13.1 34.3 113 119 A I < + 0 0 6 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.2 -0.819 18.6 141.5 -95.5 103.9 28.5 12.0 33.6 114 120 A K + 0 0 60 -2,-0.9 2,-0.2 -3,-0.1 -1,-0.2 0.579 50.1 50.4-119.5 -15.7 28.8 8.6 32.0 115 121 A T S > S- 0 0 49 1,-0.1 4,-2.3 -22,-0.1 5,-0.1 -0.741 80.5-110.3-123.7 171.9 26.0 6.3 33.4 116 122 A L H > S+ 0 0 32 -2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.889 122.3 57.0 -65.4 -36.8 22.3 6.3 33.8 117 123 A E H > S+ 0 0 93 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.913 107.5 47.3 -58.7 -43.2 23.0 6.5 37.5 118 124 A D H 4 S+ 0 0 32 2,-0.2 4,-0.5 1,-0.2 3,-0.3 0.899 111.2 50.5 -65.7 -41.4 25.0 9.7 36.8 119 125 A L H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.930 107.0 54.9 -61.7 -43.7 22.1 11.0 34.7 120 126 A R H 3< S+ 0 0 158 -4,-3.1 3,-0.5 1,-0.3 -1,-0.2 0.797 107.3 50.4 -59.6 -30.0 19.7 10.3 37.5 121 127 A K T 3< S+ 0 0 156 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.517 110.9 51.5 -86.1 -5.9 21.8 12.3 39.9 122 128 A N X + 0 0 37 -3,-1.6 3,-1.6 -4,-0.5 -1,-0.2 -0.332 59.2 144.3-128.3 53.5 21.9 15.3 37.5 123 129 A E G > + 0 0 119 -3,-0.5 3,-2.2 1,-0.3 -1,-0.1 0.861 68.9 64.2 -57.9 -40.2 18.3 16.0 36.5 124 130 A D G 3 S+ 0 0 129 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.614 98.9 56.0 -62.3 -11.4 18.8 19.7 36.3 125 131 A K G < S+ 0 0 95 -3,-1.6 2,-0.4 -6,-0.2 -1,-0.3 0.426 94.9 81.9 -99.8 -0.1 21.2 19.2 33.4 126 132 A L S < S- 0 0 5 -3,-2.2 -26,-0.0 -4,-0.2 -27,-0.0 -0.868 73.3-134.4-107.9 138.1 18.7 17.3 31.3 127 133 A N > - 0 0 84 -2,-0.4 4,-2.3 -28,-0.1 5,-0.2 -0.248 39.2 -90.8 -78.7 175.7 16.0 18.9 29.2 128 134 A H H > S+ 0 0 118 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.908 126.3 48.8 -53.9 -47.5 12.4 17.7 29.2 129 135 A H H > S+ 0 0 52 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.946 111.9 48.8 -59.3 -49.8 12.8 15.2 26.4 130 136 A Q H > S+ 0 0 15 -31,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.861 107.7 55.0 -60.0 -37.1 16.0 13.7 28.0 131 137 A R H X S+ 0 0 97 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.914 111.1 44.9 -63.7 -41.3 14.2 13.3 31.4 132 138 A I H X S+ 0 0 7 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.914 110.9 53.5 -67.5 -42.5 11.5 11.3 29.7 133 139 A G H < S+ 0 0 0 -4,-2.7 -35,-0.3 -35,-0.4 -2,-0.2 0.870 112.0 46.1 -59.3 -36.6 14.0 9.3 27.8 134 140 A L H >< S+ 0 0 31 -4,-2.2 3,-1.9 -5,-0.2 4,-0.3 0.957 109.5 53.0 -70.0 -51.2 15.7 8.5 31.0 135 141 A K H 3< S+ 0 0 143 -4,-2.7 3,-0.2 1,-0.3 -2,-0.2 0.862 121.7 31.3 -53.1 -40.4 12.5 7.6 32.9 136 142 A Y T 3X S+ 0 0 11 -4,-2.3 4,-3.1 1,-0.2 -1,-0.3 0.050 80.0 128.6-108.8 27.3 11.5 5.2 30.2 137 143 A F H <> S+ 0 0 25 -3,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.900 80.0 38.1 -46.8 -52.1 15.0 4.1 29.1 138 144 A G H >4 S+ 0 0 42 -4,-0.3 3,-1.1 -3,-0.2 4,-0.5 0.946 116.1 50.1 -67.9 -49.5 14.2 0.4 29.5 139 145 A D H >4 S+ 0 0 37 1,-0.3 3,-1.6 2,-0.2 -2,-0.2 0.895 105.5 57.6 -56.4 -43.8 10.6 0.5 28.2 140 146 A F H 3< S+ 0 0 40 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.728 103.2 54.2 -62.2 -22.5 11.6 2.4 25.1 141 147 A E T << S+ 0 0 95 -3,-1.1 -1,-0.3 -4,-0.7 2,-0.2 0.539 91.0 93.6 -89.5 -5.9 14.1 -0.3 24.1 142 148 A K S < S- 0 0 116 -3,-1.6 2,-0.1 -4,-0.5 -3,-0.0 -0.616 76.0-124.1 -86.3 145.7 11.4 -3.1 24.2 143 149 A R - 0 0 140 -2,-0.2 40,-0.2 103,-0.0 -1,-0.1 -0.425 20.3-120.4 -83.1 164.3 9.5 -4.1 21.1 144 150 A I E -A 182 0A 0 38,-3.6 38,-2.0 -2,-0.1 40,-0.1 -0.919 22.2-131.6-110.5 113.3 5.7 -3.9 20.9 145 151 A P E >> -A 181 0A 52 0, 0.0 4,-1.9 0, 0.0 3,-1.1 -0.309 22.9-117.3 -61.3 144.4 4.0 -7.2 20.1 146 152 A R H 3> S+ 0 0 74 34,-2.5 4,-2.5 1,-0.3 5,-0.2 0.852 113.5 61.1 -51.2 -39.5 1.4 -7.0 17.4 147 153 A E H 3> S+ 0 0 114 33,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.888 107.4 44.8 -56.3 -40.3 -1.4 -7.9 19.8 148 154 A E H <> S+ 0 0 28 -3,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.879 108.8 55.8 -71.6 -38.5 -0.6 -4.9 21.9 149 155 A M H X S+ 0 0 2 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.892 106.8 51.9 -60.0 -37.8 -0.4 -2.7 18.8 150 156 A L H X S+ 0 0 57 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.930 109.6 48.0 -64.6 -43.2 -3.9 -3.8 18.0 151 157 A Q H X S+ 0 0 48 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.881 113.1 49.0 -63.1 -37.7 -5.1 -2.9 21.4 152 158 A M H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.888 110.0 50.5 -68.5 -40.7 -3.4 0.5 21.0 153 159 A Q H X S+ 0 0 45 -4,-2.6 4,-3.1 2,-0.2 5,-0.4 0.909 105.2 57.6 -64.2 -42.3 -5.0 1.0 17.6 154 160 A D H X S+ 0 0 104 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.940 110.7 43.5 -51.7 -51.0 -8.4 0.2 19.0 155 161 A I H X S+ 0 0 36 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.940 114.7 48.1 -61.8 -50.8 -8.0 3.1 21.5 156 162 A V H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.931 114.6 44.9 -58.5 -47.8 -6.5 5.6 19.1 157 163 A L H X S+ 0 0 70 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.911 114.4 50.0 -63.8 -41.5 -9.2 5.0 16.4 158 164 A N H X S+ 0 0 94 -4,-2.2 4,-1.8 -5,-0.4 -2,-0.2 0.929 113.6 43.5 -62.9 -48.9 -12.0 5.1 19.0 159 165 A E H X S+ 0 0 13 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.883 112.6 52.4 -67.2 -38.7 -10.9 8.3 20.6 160 166 A V H X S+ 0 0 5 -4,-2.3 4,-2.0 -5,-0.3 3,-0.3 0.954 111.4 46.2 -61.6 -48.8 -10.2 10.1 17.3 161 167 A K H < S+ 0 0 146 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.851 109.6 57.1 -61.7 -33.9 -13.7 9.2 16.0 162 168 A K H < S+ 0 0 121 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.854 105.9 48.3 -65.9 -37.7 -15.1 10.3 19.3 163 169 A V H < S- 0 0 49 -4,-1.9 2,-0.2 -3,-0.3 -2,-0.2 0.916 140.8 -15.1 -69.1 -42.5 -13.6 13.8 18.9 164 170 A D >< - 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