==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, LYASE/DNA 13-MAY-12 4F5O . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.D.FREUDENTHAL,W.A.BEARD,S.H.WILSON . 321 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17413.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 71.7 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 . 30 9.3 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 . 19 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 0 2 1 1 2 2 0 1 1 2 0 1 1 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 . 1 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 0 141 0, 0.0 2,-3.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.2 21.1 -14.6 10.3 2 11 A L + 0 0 77 1,-0.2 42,-0.2 2,-0.1 3,-0.1 -0.124 360.0 26.0 72.2 -50.4 24.2 -15.9 8.4 3 12 A N S >> S+ 0 0 6 -2,-3.3 4,-2.3 40,-0.1 3,-1.2 -0.014 71.9 139.0-135.7 33.2 26.6 -13.1 9.2 4 13 A G H 3> S+ 0 0 25 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.756 72.4 58.7 -51.8 -31.4 25.3 -11.7 12.5 5 14 A G H 3> S+ 0 0 34 2,-0.2 4,-1.8 3,-0.2 -1,-0.3 0.901 110.7 42.3 -64.7 -41.5 28.8 -11.3 13.8 6 15 A I H <> S+ 0 0 4 -3,-1.2 4,-3.0 2,-0.2 -2,-0.2 0.965 116.5 45.7 -69.8 -51.8 29.7 -9.1 10.9 7 16 A T H X S+ 0 0 20 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.827 112.1 52.2 -64.5 -32.4 26.5 -7.0 10.9 8 17 A D H X S+ 0 0 109 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.943 110.9 49.1 -63.6 -47.2 26.7 -6.6 14.7 9 18 A M H X S+ 0 0 5 -4,-1.8 4,-2.8 -5,-0.2 -2,-0.2 0.957 113.6 45.3 -53.4 -53.8 30.3 -5.4 14.2 10 19 A L H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.901 112.5 50.1 -60.6 -43.0 29.2 -2.9 11.5 11 20 A T H X S+ 0 0 58 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.870 110.5 51.2 -63.4 -36.5 26.2 -1.7 13.4 12 21 A E H X S+ 0 0 55 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.968 111.3 46.7 -64.8 -50.1 28.4 -1.1 16.4 13 22 A L H X S+ 0 0 9 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.914 110.1 55.4 -54.6 -44.0 30.9 0.8 14.2 14 23 A A H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.919 106.4 50.2 -54.2 -47.9 27.9 2.8 12.8 15 24 A N H X S+ 0 0 53 -4,-2.2 4,-3.3 1,-0.2 5,-0.4 0.912 108.3 51.3 -63.3 -42.6 26.8 3.8 16.3 16 25 A F H X>S+ 0 0 15 -4,-2.0 4,-2.2 1,-0.2 5,-2.1 0.897 109.2 51.9 -61.9 -38.8 30.2 5.1 17.3 17 26 A E H <5S+ 0 0 29 -4,-2.1 6,-2.9 3,-0.2 5,-0.3 0.934 117.6 37.6 -60.7 -46.2 30.4 7.2 14.2 18 27 A K H <5S+ 0 0 69 -4,-2.2 -2,-0.2 4,-0.2 4,-0.2 0.969 127.3 33.3 -70.5 -50.6 27.1 8.8 14.8 19 28 A N H <5S+ 0 0 13 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.830 133.6 19.1 -81.4 -34.6 27.2 9.2 18.6 20 29 A V T <5S+ 0 0 18 -4,-2.2 -3,-0.2 -5,-0.4 -4,-0.1 0.887 130.8 34.6-102.9 -58.0 30.9 9.8 19.2 21 30 A S S + 0 0 24 -6,-2.9 4,-2.3 1,-0.2 3,-0.5 -0.774 23.2 177.9-116.1 81.2 30.1 11.6 11.4 24 33 A I H > S+ 0 0 71 -2,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.864 76.6 53.8 -61.7 -34.6 26.6 11.1 10.1 25 34 A H H > S+ 0 0 156 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.872 109.3 47.7 -73.6 -32.0 27.6 10.0 6.6 26 35 A K H > S+ 0 0 123 -3,-0.5 4,-2.8 2,-0.2 5,-0.2 0.878 107.8 56.7 -70.6 -38.9 29.9 7.3 7.9 27 36 A Y H X S+ 0 0 40 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.961 111.0 44.5 -51.3 -49.7 27.1 6.2 10.3 28 37 A N H X S+ 0 0 70 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.899 110.3 53.8 -64.2 -41.1 25.0 5.8 7.1 29 38 A A H X S+ 0 0 52 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.942 110.0 47.6 -59.1 -46.9 27.7 4.0 5.2 30 39 A Y H X S+ 0 0 28 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.902 111.4 50.1 -61.9 -41.1 28.2 1.4 7.9 31 40 A R H X S+ 0 0 108 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.878 109.4 51.0 -67.2 -37.5 24.4 0.8 8.2 32 41 A K H X S+ 0 0 125 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.935 112.3 47.6 -60.2 -47.9 24.1 0.4 4.4 33 42 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 22,-0.3 -2,-0.2 0.930 113.2 47.4 -58.1 -47.6 26.9 -2.2 4.5 34 43 A A H X S+ 0 0 8 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.895 113.6 49.4 -62.1 -39.5 25.3 -4.0 7.5 35 44 A S H X S+ 0 0 52 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.934 111.3 46.0 -67.8 -47.6 22.0 -4.0 5.7 36 45 A V H < S+ 0 0 33 -4,-2.8 4,-0.2 1,-0.2 -1,-0.2 0.845 114.9 49.0 -65.5 -32.8 23.2 -5.4 2.3 37 46 A I H >< S+ 0 0 0 -4,-2.0 3,-0.9 -5,-0.3 -1,-0.2 0.833 103.9 59.4 -75.1 -32.9 25.2 -8.0 4.2 38 47 A A H 3< S+ 0 0 46 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.808 107.4 46.9 -64.3 -28.7 22.3 -9.1 6.3 39 48 A K T 3< S+ 0 0 120 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.467 83.4 112.4 -92.9 -3.2 20.3 -9.9 3.2 40 49 A Y < - 0 0 45 -3,-0.9 2,-1.1 -4,-0.2 4,-0.1 -0.618 63.1-148.1 -74.8 113.4 23.2 -11.8 1.7 41 50 A P + 0 0 100 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.064 68.5 76.8 -81.2 37.8 22.0 -15.5 1.6 42 51 A H S S- 0 0 109 -2,-1.1 2,-0.7 0, 0.0 -2,-0.1 -0.990 85.9-107.4-143.0 152.3 25.5 -16.9 2.2 43 52 A K - 0 0 134 -2,-0.3 2,-0.3 1,-0.0 -40,-0.1 -0.692 44.6-127.2 -75.0 113.7 28.0 -17.4 5.0 44 53 A I + 0 0 3 -2,-0.7 3,-0.1 -42,-0.2 -1,-0.0 -0.479 31.8 175.9 -73.1 130.8 30.7 -14.8 4.2 45 54 A K + 0 0 171 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.549 60.8 16.8-111.3 -14.0 34.3 -16.3 4.1 46 55 A S > - 0 0 41 1,-0.1 4,-1.6 22,-0.0 -1,-0.2 -0.993 66.8-115.9-154.4 163.3 36.4 -13.3 3.1 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.3 2,-0.2 15,-0.1 0.884 115.2 57.6 -64.1 -40.1 36.5 -9.5 2.7 48 57 A A H > S+ 0 0 68 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.933 104.2 51.6 -56.2 -48.0 36.8 -9.8 -1.0 49 58 A E H >4 S+ 0 0 32 1,-0.2 3,-1.0 2,-0.2 4,-0.2 0.924 112.0 46.4 -54.1 -47.7 33.5 -11.8 -1.2 50 59 A A H >< S+ 0 0 0 -4,-1.6 3,-2.2 1,-0.2 -1,-0.2 0.863 101.0 67.5 -64.2 -35.4 31.8 -9.1 0.8 51 60 A K H 3< S+ 0 0 98 -4,-2.3 -1,-0.2 1,-0.3 5,-0.2 0.717 84.4 72.1 -62.1 -21.0 33.3 -6.3 -1.3 52 61 A K T << S+ 0 0 177 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.710 83.5 88.3 -65.4 -19.8 31.2 -7.5 -4.3 53 62 A L S X S- 0 0 28 -3,-2.2 3,-1.8 -4,-0.2 2,-0.4 -0.583 92.6-103.8 -85.0 143.3 28.1 -6.1 -2.6 54 63 A P T 3 S+ 0 0 93 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.495 108.2 26.8 -68.3 120.3 27.1 -2.4 -3.1 55 64 A G T 3 S+ 0 0 32 -2,-0.4 2,-0.6 1,-0.3 -22,-0.3 0.234 95.7 104.0 111.8 -11.2 28.1 -0.4 -0.1 56 65 A V < + 0 0 8 -3,-1.8 -1,-0.3 -5,-0.2 2,-0.1 -0.920 50.6 171.0-103.5 120.1 30.9 -2.6 1.0 57 66 A G > - 0 0 29 -2,-0.6 4,-2.4 -3,-0.1 5,-0.2 -0.333 48.1 -69.5-116.6-164.9 34.3 -1.1 0.2 58 67 A T H > S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.880 126.1 45.4 -57.2 -43.3 38.0 -1.5 0.8 59 68 A K H > S+ 0 0 154 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.933 114.0 46.1 -74.2 -44.0 38.0 -0.7 4.5 60 69 A I H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.876 110.2 56.8 -63.2 -35.3 34.9 -2.7 5.4 61 70 A A H X S+ 0 0 9 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.948 108.6 46.8 -58.6 -47.6 36.5 -5.6 3.4 62 71 A E H X S+ 0 0 119 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.875 110.6 52.0 -60.2 -39.9 39.6 -5.3 5.6 63 72 A K H X S+ 0 0 47 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.919 108.3 51.2 -66.0 -40.8 37.5 -5.2 8.8 64 73 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.934 108.2 52.2 -60.1 -48.2 35.7 -8.3 7.7 65 74 A D H X S+ 0 0 74 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.916 110.6 47.6 -52.8 -48.3 39.0 -10.1 7.1 66 75 A E H X>S+ 0 0 66 -4,-2.2 4,-1.0 1,-0.2 6,-0.6 0.908 112.9 48.6 -61.5 -42.0 40.2 -9.2 10.6 67 76 A F H X5S+ 0 0 49 -4,-2.5 4,-2.1 1,-0.2 3,-0.3 0.886 112.7 48.8 -63.5 -38.2 37.0 -10.3 12.1 68 77 A L H <5S+ 0 0 69 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.684 116.1 42.2 -77.8 -20.0 37.2 -13.6 10.2 69 78 A A H <5S+ 0 0 88 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.485 134.7 15.1-105.0 -4.9 40.8 -14.3 11.2 70 79 A T H <5S- 0 0 77 -4,-1.0 -3,-0.2 -3,-0.3 -2,-0.2 0.519 94.4-118.7-138.2 -25.8 40.5 -13.3 14.8 71 80 A G S < - 0 0 4 -2,-0.3 4,-2.9 1,-0.1 3,-0.3 -0.978 17.5-146.2-117.6 123.7 38.2 -5.9 15.6 74 83 A R H > S+ 0 0 194 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.900 101.2 51.2 -48.9 -47.5 41.0 -4.3 17.6 75 84 A K H > S+ 0 0 53 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.877 112.0 46.4 -61.2 -39.2 39.6 -0.8 17.1 76 85 A L H > S+ 0 0 1 -3,-0.3 4,-3.1 2,-0.2 5,-0.2 0.936 110.4 51.9 -71.6 -46.2 36.2 -1.9 18.4 77 86 A E H X S+ 0 0 77 -4,-2.9 4,-1.1 1,-0.2 -2,-0.2 0.897 114.3 45.3 -55.0 -40.7 37.7 -3.8 21.4 78 87 A K H >X S+ 0 0 131 -4,-2.4 4,-0.7 -5,-0.3 3,-0.6 0.957 111.8 51.0 -69.1 -48.2 39.5 -0.6 22.2 79 88 A I H >< S+ 0 0 47 -4,-3.0 3,-1.3 1,-0.2 7,-0.3 0.909 106.8 54.4 -53.3 -47.9 36.5 1.7 21.6 80 89 A R H 3< S+ 0 0 110 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.824 109.6 47.5 -57.2 -34.4 34.3 -0.5 23.9 81 90 A Q H << S+ 0 0 107 -4,-1.1 2,-0.7 -3,-0.6 -1,-0.3 0.526 84.9 106.2 -90.3 -5.0 36.8 -0.2 26.8 82 91 A D S+ 0 0 87 -2,-0.7 4,-1.6 1,-0.2 -1,-0.2 0.868 91.3 44.9 -58.2 -42.7 35.3 5.2 29.3 84 93 A T H > S+ 0 0 65 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.971 118.3 40.0 -67.0 -54.4 34.7 8.5 27.5 85 94 A S H > S+ 0 0 26 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.870 116.0 49.8 -66.8 -39.3 33.6 7.0 24.2 86 95 A S H X S+ 0 0 37 -4,-3.0 4,-2.4 -7,-0.3 -1,-0.2 0.885 113.2 48.0 -68.6 -36.7 31.5 4.2 25.6 87 96 A S H X S+ 0 0 12 -4,-1.6 4,-2.6 -5,-0.4 -2,-0.2 0.917 110.9 49.5 -69.0 -45.1 29.7 6.6 28.0 88 97 A I H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.950 113.1 48.2 -58.0 -46.6 29.0 9.1 25.2 89 98 A N H >< S+ 0 0 33 -4,-2.4 3,-0.6 1,-0.2 4,-0.2 0.934 112.2 48.9 -61.3 -44.4 27.6 6.2 23.1 90 99 A F H >< S+ 0 0 53 -4,-2.4 3,-2.2 1,-0.2 4,-0.2 0.911 103.5 58.8 -61.7 -45.3 25.5 4.9 26.0 91 100 A L H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.774 92.6 68.5 -60.1 -26.5 23.9 8.2 26.9 92 101 A T T << S+ 0 0 26 -4,-1.1 -1,-0.3 -3,-0.6 4,-0.2 0.604 80.7 76.9 -70.2 -8.5 22.4 8.7 23.4 93 102 A R T < S+ 0 0 124 -3,-2.2 2,-0.6 -4,-0.2 -1,-0.3 0.657 76.5 91.1 -73.2 -13.5 20.1 5.8 24.2 94 103 A V S X S- 0 0 1 -3,-1.8 3,-2.3 -4,-0.2 37,-0.1 -0.733 93.2-114.9 -80.3 122.5 18.2 8.3 26.2 95 104 A S T 3 S+ 0 0 38 -2,-0.6 35,-0.4 35,-0.3 36,-0.2 -0.376 102.9 24.2 -59.4 128.5 15.5 9.9 24.0 96 105 A G T 3 S+ 0 0 34 -4,-0.2 2,-0.9 1,-0.2 -1,-0.3 0.169 97.7 101.6 100.0 -17.4 16.4 13.6 23.6 97 106 A I < + 0 0 5 -3,-2.3 -3,-0.2 -6,-0.2 -1,-0.2 -0.882 52.3 173.8 -98.7 101.9 20.1 13.1 24.4 98 107 A G > - 0 0 29 -2,-0.9 4,-2.6 -3,-0.1 5,-0.2 -0.200 51.6 -75.0 -92.0-170.1 21.8 13.2 21.0 99 108 A P H > S+ 0 0 24 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.848 130.4 48.6 -55.5 -40.4 25.6 13.1 20.2 100 109 A S H > S+ 0 0 63 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.940 114.0 43.4 -70.2 -48.6 26.1 16.8 21.3 101 110 A A H > S+ 0 0 14 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.905 113.1 53.0 -63.1 -41.6 24.3 16.5 24.6 102 111 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.941 109.2 50.1 -59.1 -45.3 25.9 13.2 25.4 103 112 A R H X S+ 0 0 75 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.911 111.1 47.8 -60.9 -44.2 29.3 14.7 24.8 104 113 A K H X S+ 0 0 118 -4,-2.2 4,-1.7 2,-0.2 6,-0.2 0.949 112.6 49.1 -62.1 -50.3 28.6 17.7 27.1 105 114 A F H ><>S+ 0 0 11 -4,-2.7 5,-2.8 1,-0.2 3,-0.5 0.950 113.2 45.8 -52.6 -53.5 27.4 15.5 29.9 106 115 A V H ><5S+ 0 0 13 -4,-2.9 3,-1.7 1,-0.2 -1,-0.2 0.890 107.7 59.0 -63.1 -34.4 30.4 13.2 29.6 107 116 A D H 3<5S+ 0 0 116 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.875 108.8 45.1 -57.6 -37.9 32.7 16.2 29.5 108 117 A E T <<5S- 0 0 93 -4,-1.7 -1,-0.3 -3,-0.5 -2,-0.2 0.111 127.8 -95.0 -98.6 22.3 31.3 17.4 32.9 109 118 A G T < 5S+ 0 0 48 -3,-1.7 2,-0.7 1,-0.2 -3,-0.2 0.554 83.8 130.5 84.1 8.6 31.5 13.9 34.5 110 119 A I < + 0 0 6 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.853 19.3 140.8 -97.4 109.5 27.9 12.8 33.9 111 120 A K + 0 0 62 -2,-0.7 2,-0.2 -3,-0.1 -1,-0.1 0.590 49.2 45.4-130.5 -15.7 28.2 9.3 32.4 112 121 A T S > S- 0 0 63 1,-0.1 4,-2.2 -22,-0.1 5,-0.1 -0.775 84.5-103.0-126.5 171.0 25.5 6.9 33.6 113 122 A L H > S+ 0 0 31 -2,-0.2 4,-3.7 2,-0.2 5,-0.2 0.899 122.7 58.1 -61.9 -38.2 21.7 7.0 34.2 114 123 A E H > S+ 0 0 115 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.949 106.3 48.1 -55.8 -47.9 22.4 7.4 37.9 115 124 A D H > S+ 0 0 25 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.913 111.0 51.3 -57.6 -44.4 24.4 10.5 37.1 116 125 A L H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.961 109.3 49.8 -56.5 -50.8 21.5 11.7 34.9 117 126 A R H >< S+ 0 0 155 -4,-3.7 3,-0.9 1,-0.3 -2,-0.2 0.891 108.7 53.9 -53.5 -40.6 19.1 11.1 37.8 118 127 A K H 3< S+ 0 0 136 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.693 112.8 44.0 -68.2 -19.0 21.5 13.1 40.1 119 128 A N T X< + 0 0 39 -3,-1.4 3,-3.0 -4,-1.0 -1,-0.2 -0.090 60.8 144.5-123.7 39.1 21.4 16.1 37.6 120 129 A E G X + 0 0 124 -3,-0.9 3,-2.3 1,-0.3 -1,-0.2 0.812 69.8 67.6 -42.4 -38.3 17.8 16.6 36.6 121 130 A D G 3 S+ 0 0 121 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.751 96.1 54.3 -60.0 -22.9 18.4 20.3 36.5 122 131 A K G < S+ 0 0 92 -3,-3.0 2,-0.4 -6,-0.2 -1,-0.3 0.344 94.9 89.5 -93.6 7.5 20.7 19.9 33.5 123 132 A L < - 0 0 4 -3,-2.3 -26,-0.0 -4,-0.2 2,-0.0 -0.885 69.9-136.6-109.0 133.8 18.1 18.1 31.5 124 133 A N > - 0 0 83 -2,-0.4 4,-2.3 -28,-0.1 5,-0.2 -0.199 39.0 -91.6 -75.9 176.0 15.5 19.6 29.2 125 134 A H H > S+ 0 0 110 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.935 126.1 47.0 -57.2 -50.9 11.8 18.5 29.2 126 135 A H H > S+ 0 0 47 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.927 112.2 51.3 -55.0 -46.3 12.3 15.9 26.5 127 136 A Q H > S+ 0 0 12 1,-0.2 4,-2.4 -31,-0.2 -1,-0.2 0.870 106.1 53.9 -64.9 -36.3 15.4 14.5 28.2 128 137 A R H X S+ 0 0 92 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.916 111.0 45.9 -63.1 -43.2 13.7 14.1 31.5 129 138 A I H X S+ 0 0 7 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.901 110.8 53.2 -66.1 -40.3 10.9 12.1 29.9 130 139 A G H < S+ 0 0 0 -4,-2.6 -35,-0.3 -35,-0.4 -2,-0.2 0.896 112.6 45.0 -59.7 -41.3 13.5 10.0 28.0 131 140 A L H >< S+ 0 0 28 -4,-2.4 3,-1.7 -5,-0.2 4,-0.3 0.943 109.7 55.3 -67.4 -45.0 15.2 9.3 31.3 132 141 A K H 3< S+ 0 0 139 -4,-2.8 -2,-0.2 1,-0.3 3,-0.2 0.883 121.1 29.3 -56.2 -41.6 11.9 8.5 33.1 133 142 A Y T 3X S+ 0 0 13 -4,-2.2 4,-3.2 1,-0.2 -1,-0.3 -0.027 79.3 130.1-111.0 31.1 11.0 5.9 30.6 134 143 A F H <> S+ 0 0 25 -3,-1.7 4,-0.9 1,-0.2 -1,-0.2 0.942 80.5 38.9 -50.3 -57.7 14.5 4.7 29.5 135 144 A G H >> S+ 0 0 45 -4,-0.3 3,-1.2 1,-0.2 4,-0.5 0.947 117.0 49.4 -57.9 -52.9 13.6 1.0 30.0 136 145 A D H >4 S+ 0 0 38 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.888 104.7 57.9 -58.2 -39.9 10.1 1.2 28.7 137 146 A F H 3< S+ 0 0 39 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.739 103.5 54.6 -66.2 -19.8 11.1 3.1 25.5 138 147 A E H << S+ 0 0 91 -3,-1.2 -1,-0.3 -4,-0.9 2,-0.2 0.540 90.3 92.5 -91.6 -6.4 13.5 0.3 24.6 139 148 A K S << S- 0 0 115 -3,-1.5 2,-0.1 -4,-0.5 -3,-0.0 -0.561 74.9-126.1 -80.0 150.2 10.8 -2.4 24.8 140 149 A R - 0 0 140 -2,-0.2 40,-0.2 101,-0.1 -1,-0.1 -0.452 19.0-118.8 -87.8 169.5 8.9 -3.4 21.7 141 150 A I E -A 179 0A 0 38,-3.3 38,-2.8 -2,-0.1 40,-0.1 -0.958 21.7-131.3-114.2 119.9 5.1 -3.4 21.4 142 151 A P E >> -A 178 0A 58 0, 0.0 4,-2.2 0, 0.0 3,-0.8 -0.378 24.3-116.4 -64.1 145.5 3.3 -6.7 20.7 143 152 A R H 3> S+ 0 0 56 34,-2.1 4,-2.6 1,-0.2 5,-0.2 0.856 113.9 60.3 -52.8 -39.1 0.7 -6.5 17.9 144 153 A E H 3> S+ 0 0 119 33,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.897 107.9 43.5 -60.1 -40.1 -2.1 -7.3 20.3 145 154 A E H <> S+ 0 0 31 -3,-0.8 4,-2.8 2,-0.2 -1,-0.2 0.871 109.5 57.5 -70.0 -39.3 -1.3 -4.2 22.5 146 155 A M H X S+ 0 0 2 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.923 107.7 47.7 -55.4 -43.2 -1.0 -2.2 19.3 147 156 A L H X S+ 0 0 52 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.926 111.0 50.4 -62.0 -43.6 -4.5 -3.2 18.4 148 157 A Q H X S+ 0 0 60 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.874 112.8 47.4 -61.8 -38.4 -5.7 -2.3 21.9 149 158 A M H X S+ 0 0 2 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.921 110.1 52.4 -67.2 -45.6 -4.0 1.0 21.5 150 159 A Q H X S+ 0 0 43 -4,-3.1 4,-2.8 1,-0.2 5,-0.4 0.928 105.0 56.1 -56.1 -46.7 -5.6 1.4 18.0 151 160 A D H X S+ 0 0 104 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.946 110.6 44.0 -49.8 -53.1 -9.0 0.8 19.6 152 161 A I H X S+ 0 0 35 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.938 114.7 48.5 -61.6 -47.0 -8.6 3.6 22.0 153 162 A V H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.928 114.2 43.3 -61.3 -49.0 -7.2 6.1 19.5 154 163 A L H X S+ 0 0 66 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.905 114.7 52.0 -66.5 -39.8 -9.8 5.5 16.8 155 164 A N H X S+ 0 0 97 -4,-2.4 4,-1.7 -5,-0.4 -2,-0.2 0.950 113.9 41.4 -59.3 -50.9 -12.6 5.6 19.4 156 165 A E H X S+ 0 0 17 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.873 112.4 53.9 -71.0 -36.1 -11.5 8.9 21.0 157 166 A V H X S+ 0 0 5 -4,-2.5 4,-1.6 -5,-0.3 3,-0.4 0.969 111.3 45.7 -59.5 -50.4 -10.7 10.6 17.7 158 167 A K H < S+ 0 0 142 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.841 108.4 58.6 -63.6 -30.5 -14.2 9.8 16.4 159 168 A K H < S+ 0 0 122 -4,-1.7 -1,-0.2 -5,-0.2 3,-0.2 0.904 104.0 50.7 -64.0 -40.1 -15.6 11.0 19.7 160 169 A V H < S- 0 0 37 -4,-1.9 2,-0.2 -3,-0.4 -1,-0.2 0.892 139.7 -17.6 -64.9 -40.7 -14.0 14.5 19.3 161 170 A D >< - 0 0 49 -4,-1.6 3,-1.9 -5,-0.1 -1,-0.3 -0.755 58.8-143.3-169.0 115.1 -15.4 14.9 15.8 162 171 A S T 3 S+ 0 0 82 1,-0.3 -4,-0.1 -2,-0.2 -3,-0.1 0.548 95.3 69.6 -68.0 -5.1 -16.7 12.1 13.6 163 172 A E T 3 S+ 0 0 118 -5,-0.1 -1,-0.3 2,-0.1 -5,-0.1 0.606 73.1 107.6 -89.2 -9.6 -15.3 13.6 10.5 164 173 A Y < - 0 0 17 -3,-1.9 2,-0.5 -7,-0.2 24,-0.2 -0.355 59.4-150.0 -57.2 146.2 -11.7 13.0 11.4 165 174 A I E -B 187 0B 45 22,-2.0 22,-2.1 2,-0.0 2,-0.4 -0.996 18.8-175.7-117.0 124.0 -9.9 10.3 9.5 166 175 A A E -B 186 0B 23 -2,-0.5 2,-0.4 20,-0.2 20,-0.2 -0.961 7.6-176.4-125.3 139.7 -7.2 8.5 11.5 167 176 A T E -B 185 0B 32 18,-2.4 18,-2.8 -2,-0.4 2,-0.7 -0.979 21.8-142.2-138.8 124.3 -4.8 5.9 10.4 168 177 A V E +B 184 0B 4 -2,-0.4 16,-0.2 16,-0.2 2,-0.1 -0.756 36.3 173.4 -79.2 116.8 -2.2 3.9 12.3 169 178 A C E +B 183 0B 2 14,-2.2 14,-0.5 -2,-0.7 3,-0.5 -0.141 28.3 73.6-108.3-158.8 0.7 3.6 10.0 170 179 A G S >> S- 0 0 17 90,-1.4 3,-1.2 87,-0.3 4,-0.9 -0.327 109.3 -31.6 82.6-168.2 4.3 2.2 10.4 171 180 A S G >4>S+ 0 0 26 1,-0.3 5,-1.8 2,-0.2 3,-0.7 0.828 133.5 66.2 -56.2 -34.8 5.2 -1.5 10.7 172 181 A F G >45S+ 0 0 8 -3,-0.5 3,-1.4 1,-0.3 -1,-0.3 0.879 98.4 51.2 -55.0 -41.2 1.9 -2.1 12.4 173 182 A R G <45S+ 0 0 63 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.780 103.8 59.3 -70.0 -23.6 -0.1 -1.2 9.2 174 183 A R G <<5S- 0 0 69 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.404 123.0-107.4 -84.0 1.8 2.2 -3.7 7.3 175 184 A G T < 5 + 0 0 26 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.429 59.0 167.9 90.7 -0.2 0.9 -6.4 9.6 176 185 A A < - 0 0 33 -5,-1.8 -1,-0.2 1,-0.1 3,-0.1 -0.048 40.9-129.5 -45.8 147.0 4.2 -6.7 11.6 177 186 A E S S+ 0 0 151 1,-0.1 -34,-2.1 -35,-0.1 2,-0.3 0.504 88.6 21.1 -84.9 -3.3 3.8 -8.8 14.8 178 187 A S E -A 142 0A 37 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.1 -0.979 66.9-158.2-157.0 155.1 5.5 -6.1 16.9 179 188 A S E -A 141 0A 2 -38,-2.8 -38,-3.3 -2,-0.3 3,-0.1 -0.923 21.7-139.5-133.2 158.5 6.2 -2.4 16.7 180 189 A G S S- 0 0 35 -2,-0.3 62,-0.4 -40,-0.2 2,-0.3 0.715 85.1 -24.3 -86.3 -23.2 8.6 0.1 18.2 181 190 A D S S- 0 0 61 60,-0.1 2,-0.5 -40,-0.1 -9,-0.2 -0.921 72.3 -89.0-166.2-175.7 6.0 2.8 18.7 182 191 A M E - c 0 243B 0 60,-2.3 62,-2.7 -2,-0.3 2,-0.5 -0.977 29.0-166.5-119.1 127.8 2.6 4.0 17.4 183 192 A D E -Bc 169 244B 22 -14,-0.5 -14,-2.2 -2,-0.5 2,-0.5 -0.960 6.0-168.5-111.1 121.7 2.4 6.5 14.5 184 193 A V E -Bc 168 245B 1 60,-2.6 62,-3.1 -2,-0.5 2,-0.5 -0.941 6.3-161.3-114.6 120.9 -1.0 8.1 13.9 185 194 A L E -Bc 167 246B 0 -18,-2.8 -18,-2.4 -2,-0.5 2,-0.4 -0.880 17.1-171.3 -99.9 130.2 -1.8 10.1 10.8 186 195 A L E +Bc 166 247B 0 60,-3.7 62,-3.2 -2,-0.5 2,-0.3 -0.934 11.7 166.6-126.4 139.0 -4.7 12.4 11.1 187 196 A T E -B 165 0B 0 -22,-2.1 -22,-2.0 -2,-0.4 5,-0.1 -0.898 12.3-164.6-140.9 177.5 -6.7 14.5 8.7 188 197 A H > - 0 0 12 3,-0.4 3,-1.9 60,-0.4 62,-0.4 -0.956 32.6-117.8-164.2 141.1 -10.0 16.4 8.6 189 198 A P T 3 S+ 0 0 56 0, 0.0 61,-0.1 0, 0.0 -25,-0.1 0.764 111.6 62.9 -61.0 -26.7 -12.1 17.9 5.7 190 199 A S T 3 S+ 0 0 74 1,-0.1 2,-0.5 59,-0.0 -3,-0.0 0.321 94.1 76.6 -79.2 9.5 -11.7 21.4 7.0 191 200 A F < + 0 0 45 -3,-1.9 59,-2.8 57,-0.1 -3,-0.4 -0.878 57.9 150.6-129.8 101.7 -7.9 21.1 6.5 192 201 A T - 0 0 50 -2,-0.5 -2,-0.0 57,-0.3 -5,-0.0 -0.768 59.4-106.3-117.3 165.7 -6.4 21.5 3.0 193 202 A S S S+ 0 0 63 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.983 125.8 46.6 -42.2 -60.7 -3.2 22.6 1.5 194 203 A E 0 0 101 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.795 360.0 360.0 -54.2 -38.3 -5.2 25.6 0.3 195 204 A S 0 0 89 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.143 360.0 360.0 -78.5 360.0 -6.8 26.3 3.7 196 ! 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 0.0 197 209 A K > 0 0 125 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 22.1 -6.8 23.6 16.6 198 210 A L H > + 0 0 30 1,-0.2 4,-0.7 2,-0.2 23,-0.1 0.850 360.0 39.8 -59.2 -39.5 -7.5 20.2 14.9 199 211 A L H >> S+ 0 0 3 21,-0.4 4,-2.2 2,-0.2 3,-0.7 0.929 110.4 57.0 -78.7 -45.0 -4.6 18.5 16.5 200 212 A H H 3> S+ 0 0 70 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.919 103.5 54.6 -51.3 -47.7 -4.8 20.1 20.0 201 213 A Q H 3X S+ 0 0 90 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.829 109.4 46.9 -58.7 -36.3 -8.4 18.8 20.4 202 214 A V H S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 6,-1.7 0.828 113.1 45.8 -61.3 -31.4 -6.5 11.3 24.7 207 219 A Q H ><5S+ 0 0 75 -4,-1.9 3,-1.9 4,-0.2 -1,-0.2 0.871 106.0 60.4 -75.8 -39.6 -5.2 13.1 27.8 208 220 A K H 3<5S+ 0 0 157 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.876 108.7 42.6 -53.3 -42.5 -8.8 13.3 29.2 209 221 A V T 3<5S- 0 0 54 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.169 117.2-115.1 -93.3 17.7 -9.1 9.5 29.2 210 222 A H T < 5S+ 0 0 159 -3,-1.9 -3,-0.2 2,-0.1 -2,-0.1 0.787 83.3 120.0 56.7 32.9 -5.6 9.1 30.5 211 223 A F < + 0 0 3 -5,-2.7 17,-1.9 -6,-0.2 2,-0.5 0.885 68.8 54.1 -85.3 -52.9 -4.3 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