==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, LYASE/DNA 26-JUL-13 4LVS . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.D.FREUDENTHAL,W.A.BEARD,D.D.SHOCK,S.H.WILSON . 324 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17550.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 8.6 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 . 0 0.0 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 . 1 0.3 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 . 16 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 38.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 0 2 1 0 3 3 0 1 1 1 0 0 2 0 1 0 0 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 . 0 1 1 0 2 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 10 A T > 0 0 173 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 8.6 15.7 -16.9 6.4 2 11 A L T 3 + 0 0 104 1,-0.2 3,-0.2 36,-0.2 36,-0.1 0.928 360.0 19.7 -51.6 -47.2 17.3 -19.2 3.8 3 12 A N T >> S+ 0 0 9 1,-0.1 4,-2.0 37,-0.1 3,-0.7 -0.208 88.9 137.9-116.3 40.6 20.3 -16.8 4.4 4 13 A G H <> + 0 0 13 -3,-0.8 4,-2.1 1,-0.2 5,-0.2 0.812 65.8 57.0 -58.1 -37.5 19.1 -15.4 7.8 5 14 A G H 3> S+ 0 0 35 -4,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.838 110.5 44.4 -64.0 -34.5 22.6 -15.5 9.4 6 15 A I H <> S+ 0 0 4 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.917 113.7 47.8 -76.5 -43.8 24.1 -13.3 6.7 7 16 A T H X S+ 0 0 24 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.835 109.9 54.3 -69.6 -33.6 21.2 -10.8 6.6 8 17 A D H X S+ 0 0 111 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.884 109.2 48.6 -61.0 -42.2 21.2 -10.5 10.4 9 18 A M H X S+ 0 0 8 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.917 112.0 48.3 -66.1 -40.9 24.9 -9.7 10.2 10 19 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.883 110.4 51.8 -66.6 -40.9 24.3 -7.0 7.5 11 20 A T H X S+ 0 0 65 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.920 109.3 49.2 -60.1 -44.3 21.4 -5.5 9.5 12 21 A E H X S+ 0 0 78 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.876 112.7 48.3 -65.0 -38.2 23.6 -5.2 12.7 13 22 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.872 109.2 53.5 -66.4 -41.0 26.3 -3.6 10.6 14 23 A A H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.945 108.6 50.2 -56.6 -48.3 23.7 -1.2 9.1 15 24 A N H X S+ 0 0 63 -4,-2.5 4,-3.0 1,-0.2 5,-0.4 0.872 108.3 50.9 -61.1 -43.2 22.6 -0.2 12.6 16 25 A F H X>S+ 0 0 21 -4,-2.0 5,-2.1 2,-0.2 4,-2.1 0.914 109.8 51.0 -57.7 -45.9 26.1 0.6 13.8 17 26 A E H <5S+ 0 0 9 -4,-2.0 6,-2.9 3,-0.2 5,-0.5 0.934 117.4 38.8 -63.6 -41.3 26.8 2.7 10.7 18 27 A K H <5S+ 0 0 65 -4,-2.3 4,-0.2 4,-0.2 -2,-0.2 0.964 126.6 33.1 -71.1 -51.1 23.6 4.7 11.2 19 28 A N H <5S+ 0 0 16 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.885 133.7 18.7 -78.8 -42.0 23.6 5.0 15.0 20 29 A V T <5S+ 0 0 10 -4,-2.1 -3,-0.2 -5,-0.4 -4,-0.1 0.886 131.6 36.1 -96.2 -53.9 27.3 5.1 15.9 21 30 A S S + 0 0 25 -6,-2.9 4,-2.1 1,-0.1 3,-0.3 -0.801 25.1 178.4-122.5 86.8 27.1 7.3 8.1 24 33 A I H > S+ 0 0 78 -2,-0.5 4,-2.2 1,-0.2 -1,-0.1 0.772 76.7 53.0 -70.0 -29.1 23.7 7.2 6.5 25 34 A H H > S+ 0 0 154 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.850 109.8 48.7 -75.6 -35.1 24.8 6.1 3.0 26 35 A K H > S+ 0 0 122 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.905 109.5 53.9 -64.7 -44.0 26.7 3.1 4.5 27 36 A Y H X S+ 0 0 33 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.948 111.6 44.9 -51.5 -51.4 23.6 2.3 6.6 28 37 A N H X S+ 0 0 48 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.856 109.1 56.7 -64.8 -34.3 21.6 2.3 3.4 29 38 A A H X S+ 0 0 47 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.883 108.0 47.2 -63.5 -40.5 24.3 0.2 1.6 30 39 A Y H X S+ 0 0 23 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.882 111.9 49.5 -69.9 -37.1 24.1 -2.5 4.1 31 40 A R H X S+ 0 0 71 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.849 108.8 53.7 -69.6 -35.7 20.3 -2.6 4.0 32 41 A K H X S+ 0 0 104 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.911 111.7 44.7 -62.6 -43.3 20.4 -2.8 0.3 33 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 22,-0.2 5,-0.2 0.917 112.8 51.0 -65.9 -43.1 22.7 -5.8 0.5 34 43 A A H X S+ 0 0 10 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.858 111.7 48.9 -65.1 -33.3 20.6 -7.4 3.2 35 44 A S H X S+ 0 0 14 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.915 110.9 47.1 -71.9 -45.4 17.5 -6.9 1.0 36 45 A V H X S+ 0 0 37 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.880 113.8 48.9 -66.6 -36.6 18.9 -8.4 -2.2 37 46 A I H < S+ 0 0 1 -4,-2.3 3,-0.3 2,-0.2 -1,-0.2 0.894 106.5 56.1 -67.8 -38.9 20.3 -11.4 -0.3 38 47 A A H < S+ 0 0 70 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.860 108.9 48.2 -60.8 -34.6 16.9 -11.9 1.4 39 48 A K H < S+ 0 0 138 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.772 87.5 108.1 -70.9 -29.4 15.4 -12.1 -2.1 40 49 A Y < - 0 0 40 -4,-1.1 4,-0.1 -3,-0.3 -37,-0.1 -0.358 62.9-149.0 -64.0 122.0 18.0 -14.6 -3.3 41 50 A P + 0 0 90 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.140 68.6 69.9 -82.3 18.0 16.5 -18.1 -3.7 42 51 A H S S- 0 0 107 -39,-0.0 2,-0.6 0, 0.0 -2,-0.0 -0.968 88.5-102.7-134.2 150.5 19.7 -20.1 -2.9 43 52 A K - 0 0 122 -2,-0.3 2,-0.3 1,-0.1 -40,-0.1 -0.595 45.5-123.2 -70.1 119.0 21.7 -20.8 0.2 44 53 A I + 0 0 6 -2,-0.6 3,-0.1 1,-0.2 -1,-0.1 -0.507 32.4 179.4 -68.1 123.6 24.8 -18.6 -0.3 45 54 A K + 0 0 153 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.601 61.1 9.9 -99.4 -16.0 27.9 -20.8 -0.1 46 55 A S > - 0 0 41 1,-0.1 4,-1.8 22,-0.0 -1,-0.2 -0.990 68.6-110.8-157.9 161.7 30.6 -18.1 -0.7 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.946 118.7 58.7 -59.6 -46.2 31.3 -14.4 -0.8 48 57 A A H > S+ 0 0 72 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.841 104.1 52.1 -51.9 -36.5 32.0 -14.8 -4.5 49 58 A E H >4 S+ 0 0 27 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.932 113.3 42.9 -65.7 -46.9 28.4 -16.1 -4.9 50 59 A A H >< S+ 0 0 0 -4,-1.8 3,-2.6 1,-0.2 -2,-0.2 0.868 102.2 67.4 -66.6 -36.7 27.0 -13.1 -3.1 51 60 A K H 3< S+ 0 0 100 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.757 86.7 71.7 -58.1 -24.6 29.2 -10.7 -5.0 52 61 A K T << S+ 0 0 160 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.792 85.2 86.4 -57.8 -27.8 27.2 -11.6 -8.1 53 62 A L S X S- 0 0 25 -3,-2.6 3,-2.0 -4,-0.2 2,-0.2 -0.538 89.1-108.5 -86.3 141.4 24.3 -9.7 -6.6 54 63 A P T 3 S+ 0 0 93 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.457 108.1 30.7 -65.6 131.5 23.7 -5.9 -7.1 55 64 A G T 3 S+ 0 0 28 1,-0.2 2,-0.6 -2,-0.2 -22,-0.2 0.126 98.3 101.7 99.8 -20.0 24.3 -4.1 -3.9 56 65 A V < + 0 0 9 -3,-2.0 -1,-0.2 -6,-0.2 2,-0.1 -0.893 50.8 167.7-102.2 124.9 26.9 -6.6 -2.8 57 66 A G > - 0 0 29 -2,-0.6 4,-2.4 -3,-0.1 5,-0.2 -0.305 48.2 -68.1-119.9-160.8 30.5 -5.5 -3.2 58 67 A T H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.959 125.4 43.0 -60.7 -56.2 34.1 -6.3 -2.3 59 68 A K H > S+ 0 0 135 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.875 115.1 49.2 -62.4 -40.0 34.0 -5.6 1.4 60 69 A I H > S+ 0 0 17 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.887 109.8 50.7 -71.0 -34.9 30.6 -7.3 1.9 61 70 A A H X S+ 0 0 10 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.918 110.0 51.4 -65.6 -40.8 31.7 -10.4 0.1 62 71 A E H X S+ 0 0 128 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.924 110.9 48.2 -56.5 -45.4 34.9 -10.5 2.3 63 72 A K H X S+ 0 0 28 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.853 110.1 52.0 -65.3 -34.6 32.6 -10.2 5.3 64 73 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.899 107.1 52.8 -70.0 -38.0 30.4 -13.0 4.0 65 74 A D H X S+ 0 0 79 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.913 111.4 47.0 -58.8 -44.6 33.5 -15.3 3.5 66 75 A E H X>S+ 0 0 36 -4,-2.0 4,-3.2 2,-0.2 5,-0.6 0.932 112.7 46.5 -67.5 -48.1 34.5 -14.7 7.1 67 76 A F H X5S+ 0 0 46 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.928 114.6 49.7 -57.3 -44.9 31.1 -15.3 8.6 68 77 A L H <5S+ 0 0 66 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.863 114.9 43.9 -62.3 -38.1 30.8 -18.4 6.4 69 78 A A H <5S+ 0 0 85 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.939 134.3 13.6 -72.3 -45.8 34.2 -19.6 7.6 70 79 A T H <5S- 0 0 70 -4,-3.2 -3,-0.2 2,-0.3 -2,-0.2 0.683 91.1-122.3-110.3 -23.8 33.9 -18.9 11.3 71 80 A G S < - 0 0 3 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.983 8.1-149.7-135.0 123.5 32.5 -11.4 12.4 74 83 A R H > S+ 0 0 148 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.932 98.8 54.3 -54.8 -49.8 35.5 -9.9 14.2 75 84 A K H > S+ 0 0 85 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.923 109.1 47.8 -50.9 -51.2 34.3 -6.3 13.6 76 85 A L H > S+ 0 0 6 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.857 109.6 52.6 -62.2 -38.8 30.9 -7.0 15.2 77 86 A E H X S+ 0 0 70 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.957 111.9 46.3 -59.1 -50.4 32.6 -8.7 18.2 78 87 A K H X S+ 0 0 135 -4,-2.6 4,-1.7 2,-0.2 3,-0.5 0.944 115.0 46.8 -55.5 -52.5 34.8 -5.7 18.7 79 88 A I H < S+ 0 0 15 -4,-3.0 7,-0.4 1,-0.2 3,-0.3 0.923 110.5 51.5 -57.2 -47.7 31.8 -3.3 18.3 80 89 A R H < S+ 0 0 100 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.749 113.8 46.8 -62.2 -24.2 29.7 -5.3 20.7 81 90 A Q H < S+ 0 0 141 -4,-1.4 2,-0.3 -3,-0.5 -1,-0.2 0.721 89.4 99.2 -87.1 -24.7 32.5 -5.1 23.2 82 91 A D X - 0 0 77 -4,-1.7 4,-3.1 -3,-0.3 5,-0.2 -0.494 65.3-149.4 -72.0 126.4 33.1 -1.4 22.7 83 92 A D H > S+ 0 0 94 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.905 92.5 41.4 -64.2 -48.4 31.5 0.6 25.5 84 93 A T H > S+ 0 0 51 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.959 118.8 46.6 -67.3 -49.3 30.7 3.8 23.7 85 94 A S H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.948 114.4 47.2 -52.5 -55.7 29.5 2.0 20.6 86 95 A S H X S+ 0 0 45 -4,-3.1 4,-1.4 -7,-0.4 -1,-0.2 0.882 115.3 45.7 -57.8 -43.1 27.4 -0.5 22.5 87 96 A S H X S+ 0 0 13 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.915 111.7 49.3 -70.4 -44.3 25.8 2.2 24.7 88 97 A I H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.942 111.2 52.2 -57.7 -46.1 25.0 4.6 21.8 89 98 A N H < S+ 0 0 40 -4,-2.6 4,-0.3 -5,-0.3 -1,-0.2 0.868 110.6 49.0 -57.1 -38.7 23.5 1.7 19.9 90 99 A F H >< S+ 0 0 49 -4,-1.4 3,-2.1 -5,-0.2 4,-0.3 0.963 106.6 51.7 -70.0 -49.9 21.4 0.9 22.9 91 100 A L H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.3 6,-0.2 0.817 98.7 66.1 -60.5 -31.3 20.0 4.4 23.6 92 101 A T T 3< S+ 0 0 24 -4,-1.8 -1,-0.3 1,-0.3 5,-0.2 0.691 83.3 75.6 -65.8 -15.1 18.8 4.8 20.0 93 102 A R T < S+ 0 0 125 -3,-2.1 2,-0.5 -4,-0.3 -1,-0.3 0.722 79.2 89.8 -67.0 -17.0 16.3 2.0 20.6 94 103 A V S X S- 0 0 2 -3,-2.0 3,-2.2 -4,-0.3 2,-0.2 -0.689 92.0-115.3 -78.7 124.3 14.4 4.7 22.5 95 104 A S T 3 S+ 0 0 40 -2,-0.5 35,-0.4 1,-0.3 36,-0.2 -0.424 103.8 27.8 -59.4 123.2 11.9 6.5 20.3 96 105 A G T 3 S+ 0 0 33 -2,-0.2 2,-0.7 1,-0.2 -1,-0.3 0.186 97.9 99.4 107.6 -19.5 13.0 10.2 20.1 97 106 A I < + 0 0 6 -3,-2.2 -1,-0.2 -6,-0.2 -3,-0.1 -0.912 50.4 172.0-101.8 112.1 16.7 9.4 20.7 98 107 A G > - 0 0 29 -2,-0.7 4,-2.7 -3,-0.1 5,-0.3 -0.296 52.7 -72.4-103.4-169.4 18.6 9.4 17.5 99 108 A P H > S+ 0 0 24 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.870 130.2 46.6 -54.8 -43.6 22.4 9.2 16.8 100 109 A S H > S+ 0 0 86 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.954 114.6 44.1 -68.6 -51.9 23.1 12.7 18.0 101 110 A A H > S+ 0 0 25 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.912 114.4 51.3 -53.4 -46.5 21.1 12.6 21.3 102 111 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.926 111.2 46.6 -61.0 -47.0 22.5 9.1 22.1 103 112 A R H X S+ 0 0 75 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.906 112.8 51.1 -61.0 -40.2 26.1 10.2 21.5 104 113 A K H X S+ 0 0 120 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.935 111.4 46.0 -64.3 -47.3 25.4 13.3 23.7 105 114 A F H ><>S+ 0 0 12 -4,-2.9 5,-2.4 1,-0.2 3,-1.3 0.933 111.5 52.8 -58.8 -45.6 23.9 11.3 26.6 106 115 A V H ><5S+ 0 0 8 -4,-2.6 3,-1.9 1,-0.3 -2,-0.2 0.891 103.9 55.5 -60.7 -40.9 26.8 8.8 26.4 107 116 A D H 3<5S+ 0 0 118 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.735 107.8 52.4 -58.6 -22.1 29.4 11.6 26.6 108 117 A E T <<5S- 0 0 84 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.255 124.3-102.8-101.8 8.9 27.6 12.6 29.8 109 118 A G T < 5S+ 0 0 43 -3,-1.9 2,-0.7 1,-0.3 -3,-0.2 0.492 81.3 131.9 80.6 5.5 27.8 9.1 31.4 110 119 A I < + 0 0 7 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.2 -0.821 15.6 135.8 -89.1 115.1 24.1 8.3 30.6 111 120 A K + 0 0 63 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.1 0.396 48.9 56.6-143.9 1.6 24.0 4.9 29.0 112 121 A T S > S- 0 0 49 1,-0.1 4,-1.9 -22,-0.1 5,-0.1 -0.851 84.0-104.6-132.4 168.1 21.2 2.7 30.4 113 122 A L H > S+ 0 0 31 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.898 122.4 52.4 -54.9 -42.6 17.5 2.8 30.8 114 123 A E H > S+ 0 0 115 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.855 105.0 53.6 -66.5 -36.7 18.0 3.6 34.5 115 124 A D H > S+ 0 0 46 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.931 105.8 55.2 -62.9 -40.9 20.3 6.5 33.7 116 125 A L H < S+ 0 0 0 -4,-1.9 3,-0.4 1,-0.2 6,-0.2 0.899 108.8 46.5 -59.4 -42.6 17.6 7.9 31.5 117 126 A R H >< S+ 0 0 134 -4,-1.8 3,-1.7 1,-0.2 -1,-0.2 0.919 107.9 55.8 -65.7 -43.4 15.1 7.8 34.4 118 127 A K H 3< S+ 0 0 174 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.753 120.5 33.2 -57.8 -23.8 17.5 9.4 36.8 119 128 A N T >< S+ 0 0 38 -4,-1.2 3,-3.5 -3,-0.4 4,-0.5 0.034 72.6 135.2-122.6 23.8 17.9 12.2 34.3 120 129 A E G X + 0 0 90 -3,-1.7 3,-1.3 1,-0.3 -1,-0.1 0.746 66.9 70.3 -47.9 -24.9 14.4 12.3 32.8 121 130 A D G 3 S+ 0 0 140 1,-0.3 -1,-0.3 -4,-0.2 -4,-0.1 0.600 93.3 56.2 -70.5 -12.6 14.6 16.2 33.1 122 131 A K G < S+ 0 0 131 -3,-3.5 -1,-0.3 -6,-0.2 2,-0.2 0.511 95.3 87.4 -93.4 -10.8 17.1 16.1 30.3 123 132 A L S < S- 0 0 7 -3,-1.3 2,-0.1 -4,-0.5 0, 0.0 -0.605 73.3-132.8 -86.8 149.5 14.7 14.3 28.0 124 133 A N > - 0 0 87 -2,-0.2 4,-2.7 -28,-0.1 5,-0.2 -0.390 37.6 -90.1 -91.0 175.8 12.1 16.1 25.8 125 134 A H H > S+ 0 0 108 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.877 126.7 48.1 -56.6 -44.2 8.4 15.0 25.6 126 135 A H H > S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.925 113.5 48.5 -65.8 -40.8 8.9 12.6 22.8 127 136 A Q H > S+ 0 0 11 -31,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.893 107.9 53.3 -67.5 -39.0 11.9 11.0 24.6 128 137 A R H X S+ 0 0 88 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.886 110.2 48.5 -63.5 -40.4 10.0 10.7 27.9 129 138 A I H X S+ 0 0 10 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.907 109.2 53.7 -61.9 -42.4 7.2 8.8 26.1 130 139 A G H < S+ 0 0 1 -4,-2.1 -35,-0.2 -35,-0.4 -2,-0.2 0.901 112.2 43.5 -60.0 -43.5 9.8 6.6 24.4 131 140 A L H >< S+ 0 0 11 -4,-2.5 3,-2.6 1,-0.2 4,-0.3 0.990 111.0 55.9 -60.4 -57.9 11.3 5.7 27.8 132 141 A K H 3< S+ 0 0 138 -4,-2.8 3,-0.2 1,-0.3 -2,-0.2 0.825 120.1 29.6 -41.2 -47.2 7.8 5.2 29.3 133 142 A Y T 3X S+ 0 0 24 -4,-2.5 4,-3.0 1,-0.2 -1,-0.3 0.034 80.6 131.4-107.0 28.4 6.9 2.7 26.7 134 143 A F H <> S+ 0 0 24 -3,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.880 79.3 35.0 -53.2 -52.4 10.3 1.2 25.9 135 144 A G H >> S+ 0 0 39 -4,-0.3 3,-1.0 -3,-0.2 4,-0.6 0.916 116.2 55.5 -67.1 -42.9 9.3 -2.4 26.1 136 145 A D H >4 S+ 0 0 39 1,-0.3 3,-1.5 2,-0.2 -2,-0.2 0.915 104.6 52.9 -57.3 -43.2 5.9 -1.9 24.7 137 146 A F H 3< S+ 0 0 44 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.672 104.6 57.2 -72.2 -15.0 7.2 -0.2 21.5 138 147 A E H << S+ 0 0 94 -3,-1.0 -1,-0.3 -4,-0.6 2,-0.2 0.531 88.8 92.4 -91.7 -6.9 9.5 -3.2 20.9 139 148 A K S << S- 0 0 107 -3,-1.5 2,-0.2 -4,-0.6 -3,-0.0 -0.582 76.8-124.8 -80.1 150.6 6.7 -5.7 20.8 140 149 A R - 0 0 137 -2,-0.2 40,-0.2 103,-0.0 -2,-0.1 -0.597 19.0-125.8 -83.7 155.0 5.1 -6.7 17.6 141 150 A I E -A 179 0A 0 38,-3.0 38,-2.4 -2,-0.2 40,-0.1 -0.929 25.4-130.8-102.7 120.8 1.3 -6.3 17.2 142 151 A P E >> -A 178 0A 53 0, 0.0 4,-2.2 0, 0.0 3,-1.1 -0.414 22.2-111.9 -72.7 152.2 -0.3 -9.5 16.1 143 152 A R H 3> S+ 0 0 64 34,-2.7 4,-2.7 1,-0.3 5,-0.2 0.792 115.4 62.4 -55.4 -30.3 -2.7 -9.3 13.1 144 153 A E H 3> S+ 0 0 142 33,-0.3 4,-1.3 1,-0.2 -1,-0.3 0.898 108.9 40.8 -62.5 -40.6 -5.7 -10.2 15.4 145 154 A E H <> S+ 0 0 34 -3,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.874 111.2 58.3 -73.0 -36.3 -5.0 -7.0 17.4 146 155 A M H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.923 105.5 49.7 -56.4 -44.7 -4.3 -5.1 14.2 147 156 A L H X S+ 0 0 73 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.860 109.4 51.5 -66.6 -33.8 -7.8 -6.0 12.9 148 157 A Q H X S+ 0 0 72 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.808 110.5 48.8 -67.2 -34.5 -9.4 -4.8 16.2 149 158 A M H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.898 104.9 58.4 -71.3 -43.2 -7.6 -1.5 15.9 150 159 A Q H X S+ 0 0 48 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.868 106.5 51.2 -49.4 -38.1 -8.8 -1.2 12.3 151 160 A D H X S+ 0 0 108 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.899 107.9 48.3 -71.3 -43.1 -12.3 -1.4 13.7 152 161 A I H X S+ 0 0 38 -4,-1.4 4,-2.2 2,-0.2 5,-0.2 0.911 115.3 45.2 -64.9 -42.6 -12.0 1.3 16.4 153 162 A V H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.967 113.1 46.8 -67.4 -55.9 -10.4 3.8 14.0 154 163 A L H X S+ 0 0 66 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.870 116.9 46.5 -54.4 -37.4 -12.8 3.3 11.0 155 164 A N H X S+ 0 0 61 -4,-1.7 4,-1.4 -5,-0.2 -1,-0.2 0.892 113.5 45.2 -74.9 -42.7 -15.8 3.5 13.3 156 165 A E H X S+ 0 0 16 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.840 111.9 54.0 -71.1 -32.6 -14.7 6.6 15.3 157 166 A V H >X S+ 0 0 5 -4,-2.6 4,-2.3 1,-0.2 3,-1.6 0.950 104.1 54.8 -63.2 -51.1 -13.7 8.3 12.0 158 167 A K H 3< S+ 0 0 131 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.869 103.1 58.9 -42.3 -44.6 -17.2 7.6 10.7 159 168 A K H 3< S+ 0 0 112 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.684 105.3 46.8 -68.2 -22.5 -18.5 9.4 13.9 160 169 A V H << S- 0 0 37 -3,-1.6 2,-0.3 -4,-0.7 -1,-0.2 0.908 139.8 -22.5 -79.2 -49.0 -16.7 12.6 13.0 161 170 A D >< - 0 0 61 -4,-2.3 3,-1.3 -5,-0.1 -1,-0.3 -0.880 49.6-139.1-165.0 131.4 -17.9 12.4 9.4 162 171 A S T 3 S+ 0 0 88 -2,-0.3 -4,-0.1 1,-0.2 -3,-0.1 0.530 100.9 62.6 -68.4 -9.0 -19.2 9.6 7.2 163 172 A E T 3 S+ 0 0 117 -5,-0.1 -1,-0.2 2,-0.1 -5,-0.1 0.602 76.9 103.9 -97.2 -12.8 -17.3 11.0 4.2 164 173 A Y < - 0 0 14 -3,-1.3 2,-0.4 -7,-0.2 24,-0.2 -0.360 61.2-149.7 -55.2 146.4 -13.8 10.5 5.7 165 174 A I E -B 187 0B 74 22,-2.5 22,-2.2 2,-0.0 2,-0.5 -0.998 12.6-171.9-120.8 124.3 -12.0 7.5 4.3 166 175 A A E -B 186 0B 16 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.983 3.6-177.6-117.6 128.6 -9.5 5.8 6.6 167 176 A T E -B 185 0B 25 18,-2.4 18,-3.1 -2,-0.5 2,-0.5 -0.990 21.2-138.8-128.5 122.1 -7.2 3.1 5.2 168 177 A V E +B 184 0B 5 -2,-0.4 16,-0.2 16,-0.2 2,-0.1 -0.711 35.6 166.4 -79.4 128.2 -4.7 1.1 7.2 169 178 A C E > +B 183 0B 2 14,-2.7 3,-0.8 -2,-0.5 14,-0.5 -0.244 28.5 67.0-119.7-151.4 -1.5 0.7 5.3 170 179 A G G >> S- 0 0 5 92,-1.0 4,-1.4 89,-0.2 3,-0.6 -0.335 115.1 -16.8 66.9-150.7 2.1 -0.4 6.0 171 180 A S G 34>S+ 0 0 14 1,-0.2 5,-2.0 2,-0.2 -1,-0.2 0.795 133.6 64.0 -60.3 -31.9 2.8 -4.0 6.9 172 181 A F G X45S+ 0 0 12 -3,-0.8 3,-1.4 1,-0.2 -1,-0.2 0.943 105.3 44.6 -56.8 -48.1 -0.9 -4.6 7.8 173 182 A R T <45S+ 0 0 67 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.820 105.6 60.5 -66.5 -31.1 -1.9 -4.0 4.1 174 183 A R T 3<5S- 0 0 45 -4,-1.4 -1,-0.3 89,-0.2 -2,-0.2 0.456 118.5-118.0 -75.2 3.4 1.0 -6.2 3.0 175 184 A G T < 5 + 0 0 18 -3,-1.4 -3,-0.2 -5,-0.2 -2,-0.1 0.512 51.8 169.7 78.7 5.7 -0.8 -8.8 4.9 176 185 A A < - 0 0 29 -5,-2.0 -1,-0.2 1,-0.1 3,-0.0 -0.091 40.3-128.5 -52.3 150.2 2.0 -9.4 7.5 177 186 A E S S+ 0 0 147 -35,-0.1 -34,-2.7 1,-0.1 2,-0.3 0.592 92.4 20.7 -83.2 -8.9 0.9 -11.6 10.4 178 187 A S E S-A 142 0A 37 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.1 -0.957 74.8-149.1-151.3 161.0 2.3 -9.1 12.9 179 188 A S E -A 141 0A 0 -38,-2.4 -38,-3.0 -2,-0.3 3,-0.1 -0.972 20.1-140.1-138.2 147.4 3.1 -5.4 12.6 180 189 A G S S- 0 0 37 -2,-0.3 64,-0.4 -40,-0.2 2,-0.2 0.895 85.3 -25.5 -70.4 -39.7 5.6 -2.9 14.1 181 190 A D S S- 0 0 34 62,-0.1 2,-0.5 -40,-0.1 -9,-0.2 -0.830 72.4 -84.3-152.3-171.6 2.9 -0.2 14.4 182 191 A M E - c 0 245B 0 62,-2.2 64,-3.0 -2,-0.2 2,-0.5 -0.958 34.2-169.1-113.7 121.0 -0.4 1.1 13.0 183 192 A D E -Bc 169 246B 33 -14,-0.5 -14,-2.7 -2,-0.5 2,-0.5 -0.931 5.8-171.6-111.2 123.0 -0.3 3.4 9.9 184 193 A V E -Bc 168 247B 5 62,-3.1 64,-2.5 -2,-0.5 2,-0.5 -0.947 10.3-158.4-124.3 122.8 -3.5 5.2 8.9 185 194 A L E -Bc 167 248B 2 -18,-3.1 -18,-2.4 -2,-0.5 2,-0.4 -0.863 16.3-162.5 -98.9 133.0 -4.0 7.1 5.7 186 195 A L E +Bc 166 249B 1 62,-3.0 64,-2.7 -2,-0.5 2,-0.3 -0.940 13.3 171.8-124.6 135.4 -6.8 9.7 5.8 187 196 A T E -B 165 0B 1 -22,-2.2 -22,-2.5 -2,-0.4 5,-0.1 -0.974 6.9-175.7-135.7 153.8 -8.8 11.5 3.1 188 197 A H > - 0 0 28 3,-0.4 3,-1.9 62,-0.3 64,-0.5 -0.983 34.7-122.3-145.1 143.2 -11.9 13.8 2.9 189 198 A P T 3 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 -25,-0.0 0.773 109.7 62.3 -55.6 -30.4 -13.7 15.2 -0.1 190 199 A S T 3 S+ 0 0 46 1,-0.1 2,-0.6 62,-0.0 8,-0.1 0.647 96.4 66.5 -72.6 -14.4 -13.1 18.8 1.2 191 200 A F < + 0 0 39 -3,-1.9 61,-2.9 59,-0.1 -3,-0.4 -0.899 62.4 139.0-116.0 103.9 -9.3 18.4 1.0 192 201 A T S S- 0 0 43 -2,-0.6 4,-0.0 59,-0.3 -2,-0.0 -0.653 72.3 -76.4-124.9-171.4 -7.8 18.0 -2.5 193 202 A S S S+ 0 0 72 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.621 132.7 23.1 -69.1 -10.7 -4.6 19.4 -4.1 194 203 A E S S+ 0 0 172 2,-0.1 2,-2.6 1,-0.0 3,-0.3 0.688 82.6 117.7-106.7 -81.6 -6.5 22.7 -4.5 195 204 A S S S- 0 0 39 1,-0.2 -2,-0.1 2,-0.0 -1,-0.0 0.174 79.2-106.4 45.1 -8.3 -9.3 23.0 -1.9 196 205 A T - 0 0 126 -2,-2.6 -1,-0.2 1,-0.1 -2,-0.1 0.955 54.4 -76.0 45.7 90.3 -8.2 26.0 0.2 197 206 A K - 0 0 140 -3,-0.3 -1,-0.1 1,-0.1 -6,-0.1 0.418 44.2-161.6 -31.6 120.9 -6.8 24.9 3.5 198 207 A Q > - 0 0 117 25,-0.1 3,-0.9 -8,-0.1 -1,-0.1 -0.897 14.9-138.2-104.3 110.5 -9.3 23.8 6.2 199 208 A P T 3 S+ 0 0 71 0, 0.0 24,-0.0 0, 0.0 0, 0.0 -0.278 79.9 24.7 -55.1 144.6 -8.0 23.7 9.8 200 209 A K T 3> S+ 0 0 119 1,-0.1 4,-2.7 3,-0.0 5,-0.2 0.453 72.8 122.8 83.5 4.4 -8.9 20.8 12.1 201 210 A L H <> S+ 0 0 7 -3,-0.9 4,-0.8 2,-0.2 -1,-0.1 0.940 93.4 28.9 -59.1 -46.9 -9.7 18.0 9.5 202 211 A L H > S+ 0 0 1 21,-0.3 4,-2.8 2,-0.2 3,-0.3 0.872 117.8 60.0 -79.1 -37.0 -7.0 15.8 11.2 203 212 A H H > S+ 0 0 56 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.877 100.3 55.9 -58.4 -41.0 -7.6 17.5 14.6 204 213 A Q H X S+ 0 0 63 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.891 111.8 42.5 -57.6 -43.4 -11.2 16.4 14.6 205 214 A V H X S+ 0 0 2 -4,-0.8 4,-2.6 -3,-0.3 5,-0.2 0.944 113.9 50.2 -72.5 -48.1 -10.3 12.8 14.1 206 215 A V H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 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