==== 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 3ISB . 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) . 17849.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 69.7 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 . 15 4.6 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 . 6 1.8 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 1 2 1 2 1 2 1 1 1 1 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 88 0, 0.0 5,-0.2 0, 0.0 42,-0.1 0.000 360.0 360.0 360.0 120.8 19.8 -16.3 6.4 2 8 A Q >> - 0 0 63 1,-0.2 3,-2.4 2,-0.1 4,-0.6 -0.002 360.0-125.2 -39.8 136.1 20.4 -17.6 9.9 3 9 A E H 3> S+ 0 0 83 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.654 110.5 69.1 -61.2 -13.8 22.2 -15.1 12.1 4 10 A T H 34 S+ 0 0 125 2,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.683 84.9 71.3 -78.0 -18.7 24.8 -17.8 12.6 5 11 A L H <4 S- 0 0 45 -3,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.988 131.4 -16.9 -60.0 -63.5 25.9 -17.4 8.9 6 12 A N H X S+ 0 0 13 -4,-0.6 4,-2.6 -5,-0.2 3,-0.3 0.030 93.6 126.9-134.3 26.2 27.6 -14.1 9.3 7 13 A G H X S+ 0 0 11 -4,-1.3 4,-2.3 1,-0.2 5,-0.2 0.825 75.3 56.3 -55.1 -34.2 26.2 -12.8 12.6 8 14 A G H > S+ 0 0 34 2,-0.2 4,-2.1 -4,-0.2 -1,-0.2 0.937 110.3 44.3 -64.0 -44.9 29.7 -12.2 13.8 9 15 A I H > S+ 0 0 2 -3,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.928 115.7 45.8 -65.0 -47.5 30.5 -10.0 10.8 10 16 A T H X S+ 0 0 22 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.854 111.0 53.1 -67.0 -34.3 27.2 -8.1 11.0 11 17 A D H X S+ 0 0 115 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.954 110.8 47.8 -63.3 -47.5 27.5 -7.6 14.7 12 18 A M H X S+ 0 0 6 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.902 112.6 47.8 -58.5 -45.1 31.0 -6.2 14.2 13 19 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.881 112.0 50.1 -66.3 -36.8 29.9 -3.8 11.4 14 20 A T H X S+ 0 0 62 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.907 109.4 50.6 -67.6 -41.4 26.9 -2.6 13.5 15 21 A E H X S+ 0 0 50 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.901 111.3 48.5 -63.2 -40.5 29.1 -1.9 16.5 16 22 A L H X S+ 0 0 17 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.918 107.6 56.9 -65.0 -41.5 31.5 0.1 14.3 17 23 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.926 105.7 50.1 -55.1 -48.2 28.5 1.9 12.9 18 24 A N H X S+ 0 0 53 -4,-2.3 4,-3.4 1,-0.2 5,-0.4 0.925 109.3 49.1 -60.7 -45.6 27.4 3.1 16.3 19 25 A F H X>S+ 0 0 9 -4,-1.8 5,-2.2 1,-0.2 4,-2.0 0.878 109.7 53.6 -62.1 -35.8 30.8 4.4 17.3 20 26 A E H <5S+ 0 0 29 -4,-2.2 6,-2.7 3,-0.2 5,-0.4 0.933 118.2 36.1 -62.8 -44.7 31.0 6.3 14.0 21 27 A K H <5S+ 0 0 58 -4,-2.2 -2,-0.2 4,-0.2 4,-0.2 0.974 126.6 33.6 -72.1 -56.4 27.7 7.9 14.7 22 28 A N H <5S+ 0 0 7 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.723 132.9 19.5 -77.7 -23.4 27.8 8.5 18.5 23 29 A V T <5S+ 0 0 17 -4,-2.0 -3,-0.2 -5,-0.4 -4,-0.1 0.814 130.8 33.5-113.1 -54.0 31.5 9.2 19.1 24 30 A S S > + 0 0 29 -6,-2.7 4,-2.1 1,-0.1 3,-1.2 -0.703 24.5 178.3-125.9 74.8 30.5 10.8 11.1 27 33 A I H 3> S+ 0 0 76 -2,-0.3 4,-2.4 1,-0.3 5,-0.1 0.769 78.8 56.3 -49.5 -34.2 26.8 10.0 10.1 28 34 A H H 3> S+ 0 0 153 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.855 107.3 46.8 -71.7 -34.3 27.8 8.9 6.6 29 35 A K H <> S+ 0 0 123 -3,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.860 110.1 56.0 -72.6 -34.8 30.3 6.3 7.9 30 36 A Y H X S+ 0 0 35 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.962 110.3 43.7 -58.8 -51.3 27.6 5.2 10.2 31 37 A N H X S+ 0 0 70 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.844 109.5 57.8 -65.5 -31.6 25.3 4.6 7.3 32 38 A A H X S+ 0 0 48 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.947 108.8 44.5 -63.6 -47.2 28.0 3.0 5.3 33 39 A Y H X S+ 0 0 27 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.901 113.0 51.2 -64.2 -40.3 28.6 0.3 7.9 34 40 A R H X S+ 0 0 115 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.890 110.4 49.0 -62.7 -41.0 24.8 -0.3 8.3 35 41 A K H X S+ 0 0 125 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.893 112.5 48.6 -65.2 -40.6 24.4 -0.7 4.6 36 42 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 22,-0.3 -2,-0.2 0.921 112.0 48.6 -64.6 -44.1 27.3 -3.1 4.6 37 43 A A H X S+ 0 0 6 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.874 112.1 50.3 -63.5 -38.6 25.8 -5.0 7.5 38 44 A S H X S+ 0 0 59 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.960 109.9 46.6 -65.0 -54.9 22.4 -5.2 5.8 39 45 A V H < S+ 0 0 34 -4,-2.5 4,-0.4 1,-0.2 3,-0.2 0.862 117.8 46.0 -57.8 -33.9 23.6 -6.5 2.4 40 46 A I H >< S+ 0 0 1 -4,-1.8 3,-1.0 -5,-0.2 -1,-0.2 0.865 104.7 60.1 -76.1 -35.5 25.6 -9.0 4.4 41 47 A A H 3< S+ 0 0 50 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.725 109.7 44.5 -64.1 -21.0 22.7 -9.9 6.7 42 48 A K T 3< S+ 0 0 127 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.490 84.0 110.4-101.1 -8.1 20.8 -11.0 3.6 43 49 A Y < - 0 0 48 -3,-1.0 2,-0.8 -4,-0.4 4,-0.1 -0.570 61.9-146.8 -71.1 122.6 23.6 -12.9 1.9 44 50 A P S S+ 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.217 71.0 75.9 -87.3 46.5 22.6 -16.7 2.0 45 51 A H S S- 0 0 107 -2,-0.8 2,-0.7 -44,-0.1 -2,-0.1 -0.973 86.0-112.3-154.4 137.6 26.2 -17.9 2.4 46 52 A K - 0 0 139 -2,-0.3 -40,-0.1 1,-0.1 -41,-0.1 -0.634 47.5-118.0 -73.4 113.0 28.7 -18.0 5.2 47 53 A I - 0 0 5 -2,-0.7 3,-0.1 1,-0.1 -1,-0.1 -0.250 29.8-173.2 -56.0 134.8 31.3 -15.6 4.0 48 54 A K + 0 0 174 1,-0.3 2,-0.3 -3,-0.0 -1,-0.1 0.471 64.6 1.3-107.2 -9.7 34.8 -17.1 3.5 49 55 A S > - 0 0 39 1,-0.1 4,-1.9 22,-0.0 -1,-0.3 -0.979 67.0-106.9-171.7 161.3 36.8 -13.9 2.8 50 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 5,-0.1 0.840 117.8 58.4 -64.7 -32.9 36.7 -10.1 2.4 51 57 A A H > S+ 0 0 64 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.865 104.6 50.2 -64.8 -36.7 37.0 -10.5 -1.4 52 58 A E H >4 S+ 0 0 34 -3,-0.2 3,-0.9 1,-0.2 4,-0.3 0.948 114.4 44.4 -65.2 -47.8 33.8 -12.6 -1.4 53 59 A A H >< S+ 0 0 0 -4,-1.9 3,-2.3 1,-0.2 6,-0.2 0.868 101.8 67.3 -64.1 -39.2 32.0 -9.9 0.6 54 60 A K H 3< S+ 0 0 95 -4,-2.8 -1,-0.2 1,-0.3 5,-0.2 0.740 86.1 69.9 -56.5 -24.3 33.4 -7.1 -1.5 55 61 A K T << S+ 0 0 176 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.762 84.4 90.2 -64.3 -23.5 31.4 -8.3 -4.5 56 62 A L S X S- 0 0 27 -3,-2.3 3,-2.0 -4,-0.3 2,-0.2 -0.559 92.2-107.2 -78.4 134.9 28.3 -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 -0.414 107.1 30.5 -62.9 125.3 27.2 -3.5 -3.1 58 64 A G T 3 S+ 0 0 30 1,-0.2 2,-0.6 -2,-0.2 -22,-0.3 0.128 97.5 98.6 112.2 -18.6 28.0 -1.4 0.0 59 65 A V < + 0 0 7 -3,-2.0 -1,-0.2 -6,-0.2 2,-0.1 -0.906 50.8 167.1-105.2 115.6 31.1 -3.5 1.0 60 66 A G > - 0 0 30 -2,-0.6 4,-1.6 -3,-0.1 5,-0.1 -0.193 50.6 -65.9-110.7-156.9 34.4 -1.9 -0.1 61 67 A T H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.923 125.0 48.1 -60.3 -49.4 38.1 -2.3 0.4 62 68 A K H > S+ 0 0 141 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.937 114.6 43.1 -61.1 -50.8 38.2 -1.3 4.1 63 69 A I H > S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.814 111.1 58.6 -66.2 -28.0 35.3 -3.5 5.3 64 70 A A H X S+ 0 0 9 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.933 107.6 46.0 -64.5 -45.6 36.8 -6.2 3.1 65 71 A E H X S+ 0 0 119 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.903 111.1 52.1 -63.4 -43.0 40.1 -5.9 5.1 66 72 A K H X S+ 0 0 31 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.840 108.1 52.0 -64.0 -33.1 38.2 -5.9 8.4 67 73 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.894 107.9 51.0 -71.3 -38.3 36.3 -9.1 7.4 68 74 A D H X S+ 0 0 77 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.919 111.7 47.9 -63.9 -40.6 39.6 -10.8 6.6 69 75 A E H X S+ 0 0 68 -4,-2.2 4,-2.6 1,-0.2 6,-0.5 0.934 113.0 48.8 -63.9 -45.4 41.0 -9.8 10.0 70 76 A F H X S+ 0 0 44 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.910 111.5 48.0 -61.0 -46.2 37.8 -11.0 11.8 71 77 A L H < S+ 0 0 71 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.920 117.1 42.0 -62.5 -44.8 37.7 -14.4 10.0 72 78 A A H < S+ 0 0 88 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.863 132.4 20.4 -72.3 -38.3 41.3 -15.1 10.7 73 79 A T H < S- 0 0 81 -4,-2.6 -3,-0.2 2,-0.3 -2,-0.2 0.590 95.3-123.3-109.4 -13.5 41.5 -13.9 14.3 74 80 A G S < S+ 0 0 51 -4,-2.8 2,-0.3 -5,-0.4 -4,-0.2 0.651 84.4 46.9 79.4 13.5 37.9 -13.9 15.4 75 81 A K S S- 0 0 98 -6,-0.5 2,-0.5 -5,-0.1 -2,-0.3 -0.977 77.6-110.8-168.7 175.9 38.0 -10.2 16.3 76 82 A L > - 0 0 5 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.983 15.9-148.3-125.0 119.7 39.1 -6.6 15.3 77 83 A R H > S+ 0 0 192 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.902 99.6 48.2 -52.2 -47.1 41.9 -4.9 17.1 78 84 A K H > S+ 0 0 155 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.911 113.3 46.4 -62.2 -44.1 40.4 -1.4 16.7 79 85 A L H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.944 111.7 52.0 -64.5 -45.9 36.9 -2.5 17.8 80 86 A E H X S+ 0 0 63 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.922 111.5 48.0 -54.5 -46.6 38.4 -4.3 20.8 81 87 A K H < S+ 0 0 135 -4,-2.4 4,-0.3 -5,-0.2 3,-0.3 0.903 113.2 44.6 -64.0 -44.6 40.3 -1.2 21.8 82 88 A I H >< S+ 0 0 45 -4,-2.3 3,-1.1 1,-0.2 7,-0.3 0.861 106.4 61.9 -71.5 -32.4 37.4 1.3 21.5 83 89 A R H 3< S+ 0 0 117 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.858 109.4 41.7 -57.9 -37.1 35.1 -1.1 23.4 84 90 A Q T 3< S+ 0 0 135 -4,-1.2 2,-0.8 -3,-0.3 -1,-0.3 0.408 86.2 110.0 -92.0 -0.8 37.4 -0.9 26.4 85 91 A D <> - 0 0 71 -3,-1.1 4,-2.7 -4,-0.3 5,-0.3 -0.695 60.6-152.5 -78.7 112.9 37.9 2.9 26.1 86 92 A D H > S+ 0 0 91 -2,-0.8 4,-1.2 1,-0.2 -1,-0.2 0.842 89.8 45.8 -56.1 -39.4 36.0 4.3 29.1 87 93 A T H > S+ 0 0 63 2,-0.2 4,-2.1 3,-0.1 -1,-0.2 0.957 117.3 40.7 -71.1 -50.2 35.3 7.6 27.5 88 94 A S H > S+ 0 0 22 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.905 114.4 51.3 -66.0 -43.3 34.2 6.4 24.1 89 95 A S H X S+ 0 0 34 -4,-2.7 4,-2.1 -7,-0.3 -1,-0.2 0.861 111.6 50.0 -63.6 -33.0 32.1 3.5 25.4 90 96 A S H X S+ 0 0 12 -4,-1.2 4,-2.7 -5,-0.3 -1,-0.2 0.896 110.9 47.4 -72.3 -40.3 30.4 5.8 27.7 91 97 A I H X S+ 0 0 3 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.974 112.9 49.2 -63.5 -52.1 29.5 8.4 25.0 92 98 A N H >< S+ 0 0 32 -4,-2.8 3,-0.6 1,-0.2 4,-0.2 0.921 113.8 48.0 -51.0 -48.6 28.3 5.6 22.7 93 99 A F H >< S+ 0 0 51 -4,-2.1 3,-2.4 1,-0.2 4,-0.2 0.920 103.7 58.0 -61.2 -49.6 26.2 4.2 25.6 94 100 A L H >< S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.738 92.8 68.8 -57.3 -24.4 24.6 7.5 26.7 95 101 A T T << S+ 0 0 22 -4,-1.3 -1,-0.3 -3,-0.6 4,-0.2 0.614 80.0 78.5 -71.4 -8.2 23.1 8.1 23.2 96 102 A R T < S+ 0 0 121 -3,-2.4 2,-0.6 -4,-0.2 -1,-0.3 0.689 74.9 90.9 -71.7 -14.5 20.8 5.2 23.9 97 103 A V S X S- 0 0 1 -3,-1.6 3,-2.2 -4,-0.2 37,-0.1 -0.716 92.4-116.9 -82.0 121.5 18.8 7.6 26.0 98 104 A S T 3 S+ 0 0 39 -2,-0.6 35,-0.4 35,-0.3 36,-0.2 -0.399 102.6 27.4 -58.6 128.2 16.2 9.2 23.7 99 105 A G T 3 S+ 0 0 34 1,-0.2 2,-0.7 -4,-0.2 -1,-0.3 0.032 98.2 98.0 106.2 -27.9 17.0 12.9 23.6 100 106 A I < + 0 0 4 -3,-2.2 -1,-0.2 -6,-0.2 -3,-0.1 -0.868 52.5 173.0 -96.4 113.8 20.7 12.5 24.2 101 107 A G > - 0 0 27 -2,-0.7 4,-2.7 -3,-0.1 5,-0.3 -0.314 52.4 -72.3-104.2-166.0 22.6 12.6 20.9 102 108 A P H > S+ 0 0 39 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.876 130.2 49.9 -55.8 -42.3 26.3 12.7 20.1 103 109 A S H > S+ 0 0 78 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.959 115.3 39.4 -64.6 -54.4 26.7 16.3 21.3 104 110 A A H > S+ 0 0 20 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.935 115.4 53.0 -62.2 -46.2 25.0 15.9 24.6 105 111 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.902 110.8 48.0 -56.6 -41.5 26.6 12.5 25.3 106 112 A R H X S+ 0 0 111 -4,-2.0 4,-2.7 -5,-0.3 -1,-0.2 0.947 112.1 48.9 -64.1 -48.5 30.0 14.0 24.6 107 113 A K H X S+ 0 0 124 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.909 111.3 49.7 -58.5 -44.5 29.3 17.0 26.9 108 114 A F H ><>S+ 0 0 12 -4,-3.1 5,-2.1 1,-0.2 3,-0.9 0.947 112.4 46.1 -60.6 -49.5 28.1 14.7 29.7 109 115 A V H ><5S+ 0 0 9 -4,-2.2 3,-2.0 1,-0.3 -1,-0.2 0.905 105.5 61.6 -60.6 -40.6 31.1 12.4 29.5 110 116 A D H 3<5S+ 0 0 111 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.798 110.4 41.3 -55.9 -29.1 33.4 15.5 29.3 111 117 A E T <<5S- 0 0 95 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.161 126.6 -92.1-107.9 20.0 32.1 16.5 32.8 112 118 A G T < 5S+ 0 0 45 -3,-2.0 2,-1.0 1,-0.2 -3,-0.2 0.258 84.5 127.8 94.8 -13.8 32.1 13.1 34.5 113 119 A I < + 0 0 5 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.2 -0.699 21.6 139.7 -82.2 103.7 28.5 12.0 33.7 114 120 A K + 0 0 62 -2,-1.0 2,-0.2 -3,-0.1 -1,-0.2 0.625 49.5 51.4-119.0 -23.1 28.9 8.5 32.2 115 121 A T S > S- 0 0 48 1,-0.1 4,-1.9 -22,-0.1 5,-0.2 -0.730 81.3-110.6-119.2 167.9 26.2 6.2 33.4 116 122 A L H > S+ 0 0 32 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.895 121.5 57.5 -60.6 -36.7 22.4 6.1 33.8 117 123 A E H > S+ 0 0 97 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.903 105.0 49.9 -59.1 -42.1 23.1 6.4 37.5 118 124 A D H > S+ 0 0 33 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.869 109.0 51.7 -65.8 -36.8 25.0 9.6 36.9 119 125 A L H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.930 105.2 55.2 -65.5 -44.3 22.2 11.1 34.8 120 126 A R H >< S+ 0 0 154 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.839 108.5 49.7 -57.6 -32.6 19.6 10.3 37.5 121 127 A K H 3< S+ 0 0 152 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.638 110.0 53.1 -80.2 -15.8 21.8 12.3 40.0 122 128 A N T X< + 0 0 41 -3,-1.3 3,-1.5 -4,-0.7 -1,-0.2 -0.359 61.6 146.5-119.6 54.7 22.0 15.2 37.5 123 129 A E G X + 0 0 127 -3,-0.5 3,-2.5 1,-0.3 -1,-0.2 0.884 68.1 59.8 -54.2 -48.3 18.4 16.0 36.7 124 130 A D G 3 S+ 0 0 133 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.596 99.0 60.1 -62.6 -8.7 18.8 19.8 36.3 125 131 A K G < S+ 0 0 101 -3,-1.5 2,-0.4 -6,-0.2 -1,-0.3 0.437 93.7 82.3 -96.3 0.4 21.3 19.1 33.5 126 132 A L S < S- 0 0 5 -3,-2.5 -26,-0.0 -4,-0.2 5,-0.0 -0.877 73.3-137.0-107.8 133.8 18.7 17.3 31.4 127 133 A N > - 0 0 86 -2,-0.4 4,-1.9 -28,-0.1 5,-0.2 -0.147 40.4 -90.3 -74.5-178.6 16.1 19.0 29.2 128 134 A H H > S+ 0 0 106 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.934 125.6 48.2 -60.6 -49.2 12.5 17.7 29.2 129 135 A H H > S+ 0 0 48 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.944 111.7 50.9 -56.9 -49.3 12.9 15.1 26.4 130 136 A Q H > S+ 0 0 13 1,-0.2 4,-2.0 -31,-0.2 -1,-0.2 0.847 106.9 52.9 -59.1 -37.8 16.1 13.7 28.0 131 137 A R H X S+ 0 0 96 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.911 111.6 47.4 -65.3 -39.6 14.4 13.3 31.4 132 138 A I H X S+ 0 0 12 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.908 110.3 51.5 -65.8 -43.5 11.6 11.4 29.7 133 139 A G H < S+ 0 0 1 -4,-2.7 -35,-0.3 -35,-0.4 -1,-0.2 0.858 112.7 46.9 -61.6 -35.1 14.1 9.2 27.8 134 140 A L H >< S+ 0 0 29 -4,-2.0 3,-1.5 -5,-0.2 4,-0.3 0.928 108.5 53.8 -71.3 -47.6 15.9 8.5 31.1 135 141 A K H 3< S+ 0 0 138 -4,-2.7 3,-0.2 1,-0.3 -2,-0.2 0.853 121.4 31.0 -56.1 -38.3 12.7 7.6 32.9 136 142 A Y T 3X S+ 0 0 10 -4,-2.0 4,-3.1 1,-0.2 5,-0.3 0.048 79.0 129.5-110.6 26.3 11.7 5.1 30.3 137 143 A F H <> S+ 0 0 25 -3,-1.5 4,-1.0 1,-0.2 -1,-0.2 0.905 79.9 39.4 -45.2 -54.0 15.1 4.0 29.2 138 144 A G H >4 S+ 0 0 42 -4,-0.3 3,-0.7 -3,-0.2 4,-0.5 0.943 116.3 48.9 -64.8 -49.9 14.3 0.3 29.6 139 145 A D H >4 S+ 0 0 38 1,-0.2 3,-1.6 2,-0.2 -2,-0.2 0.902 106.4 56.7 -58.0 -44.5 10.7 0.4 28.2 140 146 A F H 3< S+ 0 0 40 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.798 103.7 53.8 -61.1 -27.8 11.7 2.4 25.1 141 147 A E T << S+ 0 0 94 -4,-1.0 -1,-0.3 -3,-0.7 2,-0.2 0.559 91.6 93.6 -84.7 -5.6 14.2 -0.3 24.1 142 148 A K S < S- 0 0 114 -3,-1.6 2,-0.1 -4,-0.5 -3,-0.0 -0.573 76.8-122.4 -84.7 148.3 11.6 -3.1 24.3 143 149 A R - 0 0 138 -2,-0.2 40,-0.2 103,-0.0 -1,-0.1 -0.435 20.2-119.1 -85.5 165.6 9.7 -4.1 21.2 144 150 A I E -A 182 0A 0 38,-3.8 38,-2.4 -2,-0.1 40,-0.1 -0.917 21.9-133.5-110.3 113.7 5.9 -3.9 20.9 145 151 A P E >> -A 181 0A 51 0, 0.0 3,-1.7 0, 0.0 4,-1.6 -0.383 22.4-119.1 -64.7 139.4 4.1 -7.2 20.2 146 152 A R H 3> S+ 0 0 58 34,-2.7 4,-2.3 1,-0.3 5,-0.2 0.797 112.6 61.9 -49.3 -34.4 1.5 -7.0 17.4 147 153 A E H 3> S+ 0 0 113 33,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.863 107.2 44.5 -62.6 -34.5 -1.3 -8.0 19.8 148 154 A E H <> S+ 0 0 27 -3,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.802 109.0 56.5 -78.0 -30.2 -0.5 -4.9 21.9 149 155 A M H X S+ 0 0 2 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.890 106.0 51.1 -66.5 -39.6 -0.3 -2.7 18.8 150 156 A L H X S+ 0 0 58 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.914 111.0 47.6 -64.3 -42.1 -3.8 -3.8 17.9 151 157 A Q H X S+ 0 0 58 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.878 113.2 49.0 -64.9 -36.6 -5.0 -2.9 21.4 152 158 A M H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.923 110.7 49.8 -67.9 -42.9 -3.2 0.4 21.0 153 159 A Q H X S+ 0 0 46 -4,-3.1 4,-3.0 1,-0.2 5,-0.3 0.903 106.0 57.8 -61.8 -42.0 -4.8 1.0 17.6 154 160 A D H X S+ 0 0 103 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.938 109.7 43.7 -53.3 -50.4 -8.2 0.2 19.1 155 161 A I H X S+ 0 0 40 -4,-1.7 4,-2.6 1,-0.2 5,-0.3 0.939 115.0 48.7 -62.5 -47.5 -7.8 3.0 21.6 156 162 A V H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.910 113.6 44.8 -59.7 -47.1 -6.4 5.5 19.1 157 163 A L H X S+ 0 0 68 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.913 114.9 49.0 -66.0 -42.4 -9.1 4.9 16.4 158 164 A N H X S+ 0 0 93 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.947 114.1 43.5 -63.2 -50.5 -11.9 5.0 19.0 159 165 A E H X S+ 0 0 15 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.907 112.6 52.8 -64.5 -40.5 -10.8 8.3 20.7 160 166 A V H >X S+ 0 0 6 -4,-2.2 4,-1.9 -5,-0.3 3,-0.6 0.966 111.7 45.9 -58.1 -51.1 -10.0 10.0 17.4 161 167 A K H 3< S+ 0 0 146 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.817 108.0 58.5 -61.2 -31.1 -13.5 9.2 16.1 162 168 A K H 3< S+ 0 0 122 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.851 106.0 48.8 -67.4 -34.9 -14.9 10.3 19.5 163 169 A V H << S- 0 0 40 -4,-1.8 2,-0.3 -3,-0.6 -2,-0.2 0.931 139.8 -15.1 -70.4 -46.0 -13.4 13.8 19.0 164 170 A D >< - 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