==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 04-SEP-12 4GXI . COMPND 2 MOLECULE: DNA POLYMERASE BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.D.FREUDENTHAL,W.A.BEARD,S.H.WILSON . 328 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18248.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 68.6 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 8.8 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 . 2 0.6 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 . 14 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 38.4 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 1 1 1 2 2 0 1 1 2 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 . 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 0 112 0, 0.0 5,-0.1 0, 0.0 42,-0.1 0.000 360.0 360.0 360.0 128.6 1.6 15.8 20.4 2 8 A Q 0 0 90 2,-0.1 3,-1.4 3,-0.1 4,-0.6 -0.046 360.0 360.0 -49.7 360.0 4.6 17.0 22.5 3 ! 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 4 10 A T 0 0 141 0, 0.0 -2,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -4.3 5.6 17.3 27.8 5 11 A L - 0 0 43 -3,-1.4 42,-0.2 36,-0.1 -3,-0.1 0.981 360.0 -22.2 -70.7 -65.3 1.8 17.0 27.3 6 12 A N S >> S+ 0 0 12 -4,-0.6 4,-2.8 40,-0.1 3,-0.6 0.171 98.5 123.6-131.2 19.1 1.5 13.6 29.0 7 13 A G H 3> S+ 0 0 21 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.800 74.0 56.8 -51.0 -36.5 5.1 12.2 28.7 8 14 A G H 3> S+ 0 0 34 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.949 111.6 41.9 -59.2 -49.6 5.3 11.7 32.4 9 15 A I H <> S+ 0 0 4 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.910 116.4 48.2 -64.5 -45.6 2.2 9.5 32.3 10 16 A T H X S+ 0 0 21 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.919 110.6 50.5 -66.9 -41.3 3.3 7.7 29.2 11 17 A D H X S+ 0 0 111 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.936 111.1 51.0 -55.9 -46.6 6.8 7.1 30.5 12 18 A M H X S+ 0 0 6 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.927 110.8 46.9 -56.9 -48.3 5.3 5.7 33.7 13 19 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.874 111.8 50.7 -67.0 -36.1 3.0 3.3 31.8 14 20 A T H X S+ 0 0 61 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.895 109.3 50.5 -68.3 -38.5 5.8 2.1 29.5 15 21 A E H X S+ 0 0 47 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.918 111.4 48.9 -65.0 -40.2 8.1 1.4 32.5 16 22 A L H X S+ 0 0 16 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.921 108.5 54.8 -61.3 -43.8 5.2 -0.6 34.1 17 23 A A H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.929 106.6 50.4 -55.2 -47.1 4.8 -2.4 30.8 18 24 A N H X S+ 0 0 53 -4,-2.3 4,-3.1 1,-0.2 5,-0.4 0.902 109.1 50.3 -63.2 -41.3 8.5 -3.5 30.8 19 25 A F H X>S+ 0 0 12 -4,-1.9 5,-2.4 2,-0.2 4,-2.0 0.879 109.3 51.3 -64.2 -39.2 8.4 -4.9 34.3 20 26 A E H <5S+ 0 0 29 -4,-2.1 6,-3.1 3,-0.2 5,-0.5 0.936 118.1 39.1 -60.4 -45.0 5.2 -6.9 33.6 21 27 A K H <5S+ 0 0 60 -4,-2.3 -2,-0.2 4,-0.2 -3,-0.2 0.964 126.3 31.4 -70.7 -51.3 6.8 -8.5 30.6 22 28 A N H <5S+ 0 0 12 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.782 134.4 19.2 -84.0 -26.6 10.4 -8.9 31.8 23 29 A V T <5S+ 0 0 22 -4,-2.0 -3,-0.2 -5,-0.4 -4,-0.1 0.828 130.5 36.0-113.4 -52.8 10.0 -9.6 35.5 24 30 A S S > + 0 0 26 -6,-3.1 4,-2.0 1,-0.2 3,-0.6 -0.754 23.5 176.7-115.9 80.6 2.7 -11.2 32.4 27 33 A I H 3> S+ 0 0 82 -2,-0.6 4,-2.3 1,-0.3 -1,-0.2 0.820 76.8 53.6 -62.1 -32.7 2.6 -10.7 28.7 28 34 A H H 3> S+ 0 0 157 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.871 108.3 49.6 -74.0 -33.8 -1.0 -9.6 28.5 29 35 A K H <> S+ 0 0 120 -3,-0.6 4,-2.6 2,-0.2 5,-0.2 0.850 107.0 56.8 -68.1 -35.7 -0.4 -6.9 31.2 30 36 A Y H X S+ 0 0 29 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.970 111.5 42.2 -55.5 -53.1 2.6 -5.7 29.2 31 37 A N H X S+ 0 0 69 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.844 110.8 55.8 -65.5 -34.0 0.3 -5.2 26.2 32 38 A A H X S+ 0 0 50 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.944 111.8 43.8 -62.6 -46.0 -2.4 -3.6 28.3 33 39 A Y H X S+ 0 0 29 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.874 113.4 51.4 -64.4 -38.5 0.0 -1.0 29.6 34 40 A R H X S+ 0 0 123 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.925 110.2 49.0 -63.1 -45.9 1.4 -0.5 26.1 35 41 A K H X S+ 0 0 124 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.913 110.5 50.7 -60.5 -46.3 -2.0 0.0 24.7 36 42 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 22,-0.3 -1,-0.2 0.920 111.0 48.6 -58.2 -45.5 -2.9 2.5 27.5 37 43 A A H X S+ 0 0 8 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.847 109.8 53.3 -63.7 -34.6 0.3 4.5 26.8 38 44 A S H X S+ 0 0 58 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.973 110.1 45.0 -63.9 -52.5 -0.4 4.5 23.0 39 45 A V H X S+ 0 0 32 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.876 116.0 47.8 -63.1 -36.6 -3.9 6.0 23.4 40 46 A I H >< S+ 0 0 0 -4,-2.0 3,-0.7 -5,-0.2 -1,-0.2 0.923 106.2 56.9 -69.1 -44.7 -2.6 8.5 25.9 41 47 A A H 3< S+ 0 0 51 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.842 109.6 47.0 -51.9 -35.0 0.4 9.5 23.7 42 48 A K H 3< S+ 0 0 120 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.735 85.9 108.1 -81.2 -22.5 -2.1 10.3 20.9 43 49 A Y << - 0 0 48 -4,-1.0 4,-0.1 -3,-0.7 -37,-0.1 -0.362 61.5-151.0 -63.0 121.1 -4.4 12.3 23.2 44 50 A P + 0 0 85 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.086 68.6 74.2 -89.3 26.3 -4.0 16.0 22.3 45 51 A H S S- 0 0 106 -44,-0.1 2,-0.6 -39,-0.0 -2,-0.0 -0.991 86.6-109.3-132.7 146.1 -4.8 17.4 25.8 46 52 A K - 0 0 137 -2,-0.3 2,-0.1 1,-0.1 -40,-0.1 -0.628 43.9-123.9 -69.7 117.3 -2.8 17.5 29.0 47 53 A I - 0 0 5 -2,-0.6 3,-0.1 -42,-0.2 -1,-0.1 -0.434 28.1-175.7 -67.9 135.9 -4.6 15.1 31.3 48 54 A K + 0 0 174 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.513 63.3 12.0-111.5 -12.0 -5.9 16.5 34.5 49 55 A S > - 0 0 41 1,-0.1 4,-1.8 22,-0.0 3,-0.3 -0.993 68.5-111.7-160.8 158.8 -7.3 13.4 36.2 50 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.870 116.8 59.8 -54.7 -37.7 -7.5 9.6 36.1 51 57 A A H > S+ 0 0 66 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.905 102.4 50.7 -61.7 -39.6 -11.2 10.1 35.3 52 58 A E H >4 S+ 0 0 32 -3,-0.3 3,-0.6 1,-0.2 4,-0.2 0.919 113.7 45.7 -63.6 -42.8 -10.4 12.0 32.1 53 59 A A H >< S+ 0 0 0 -4,-1.8 3,-2.6 1,-0.2 6,-0.2 0.868 100.5 67.0 -67.7 -37.1 -8.0 9.3 31.0 54 60 A K H 3< S+ 0 0 96 -4,-2.6 -1,-0.2 1,-0.3 5,-0.2 0.774 87.9 69.2 -60.5 -23.3 -10.4 6.5 31.9 55 61 A K T << S+ 0 0 176 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.743 82.9 89.6 -63.2 -21.7 -12.6 7.7 29.1 56 62 A L S X S- 0 0 25 -3,-2.6 3,-2.2 -4,-0.2 2,-0.2 -0.589 93.2-104.0 -83.1 137.4 -10.0 6.5 26.6 57 63 A P T 3 S+ 0 0 97 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.405 108.8 27.4 -62.9 125.1 -10.3 2.9 25.4 58 64 A G T 3 S+ 0 0 34 1,-0.2 2,-0.7 -2,-0.2 -22,-0.3 0.203 95.0 106.0 105.8 -15.3 -7.7 0.7 27.1 59 65 A V < + 0 0 8 -3,-2.2 -1,-0.2 -6,-0.2 2,-0.1 -0.891 50.7 173.2 -96.8 112.5 -7.5 2.9 30.2 60 66 A G > - 0 0 32 -2,-0.7 4,-2.1 -3,-0.1 5,-0.2 -0.237 47.0 -72.0-107.3-166.0 -9.3 1.2 33.0 61 67 A T H > S+ 0 0 83 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.903 124.3 48.1 -55.0 -47.5 -9.8 1.6 36.7 62 68 A K H > S+ 0 0 134 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.871 112.4 45.6 -72.4 -38.7 -6.3 0.8 37.9 63 69 A I H > S+ 0 0 15 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.888 109.6 57.2 -69.0 -38.2 -4.4 3.0 35.5 64 70 A A H X S+ 0 0 8 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.930 108.0 48.2 -53.7 -46.2 -6.9 5.8 36.2 65 71 A E H X S+ 0 0 109 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.896 110.3 50.2 -62.0 -43.1 -5.8 5.4 39.9 66 72 A K H X S+ 0 0 25 -4,-2.0 4,-3.2 2,-0.2 -2,-0.2 0.913 108.6 52.3 -63.2 -41.1 -2.1 5.4 39.1 67 73 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.885 107.8 53.3 -62.5 -38.4 -2.6 8.6 37.0 68 74 A D H X S+ 0 0 80 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.948 112.1 43.5 -56.9 -53.0 -4.3 10.1 40.0 69 75 A E H X S+ 0 0 64 -4,-2.4 4,-2.0 1,-0.2 6,-0.5 0.927 115.2 49.5 -60.3 -45.5 -1.3 9.3 42.3 70 76 A F H X S+ 0 0 44 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.904 110.9 49.5 -59.0 -43.2 1.2 10.4 39.6 71 77 A L H < S+ 0 0 70 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.843 116.6 41.1 -68.6 -32.2 -0.6 13.7 39.1 72 78 A A H < S+ 0 0 89 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.767 131.5 22.3 -85.6 -26.3 -0.8 14.5 42.8 73 79 A T H < S- 0 0 73 -4,-2.0 -2,-0.2 2,-0.3 -3,-0.2 0.499 94.2-122.3-122.9 -10.4 2.7 13.3 43.8 74 80 A G S < S+ 0 0 55 -4,-2.6 2,-0.3 -5,-0.3 -4,-0.2 0.672 87.0 45.2 72.8 14.9 4.8 13.4 40.6 75 81 A K S S- 0 0 78 -6,-0.5 2,-0.4 -5,-0.1 -2,-0.3 -0.951 78.5-111.8-165.0-175.5 5.6 9.7 40.9 76 82 A L > - 0 0 4 -2,-0.3 4,-2.6 1,-0.1 3,-0.4 -0.979 16.4-145.6-135.3 119.9 4.2 6.3 41.7 77 83 A R H > S+ 0 0 184 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.890 99.9 49.5 -52.0 -45.9 5.2 4.4 44.9 78 84 A K H > S+ 0 0 149 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.887 112.7 47.2 -65.4 -36.0 5.2 1.0 43.3 79 85 A L H > S+ 0 0 3 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.885 110.5 51.8 -74.1 -38.0 7.4 2.1 40.4 80 86 A E H X S+ 0 0 76 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.908 111.7 49.0 -60.8 -41.1 9.8 3.9 42.7 81 87 A K H X S+ 0 0 121 -4,-2.3 4,-1.0 -5,-0.2 3,-0.4 0.915 111.5 46.1 -65.8 -45.6 10.1 0.7 44.7 82 88 A I H < S+ 0 0 44 -4,-2.1 3,-0.4 1,-0.2 7,-0.3 0.867 106.8 59.8 -71.6 -32.2 10.7 -1.6 41.7 83 89 A R H < S+ 0 0 117 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.854 108.5 45.1 -57.1 -36.8 13.3 0.8 40.2 84 90 A Q H < S+ 0 0 128 -4,-1.1 2,-0.4 -3,-0.4 -1,-0.2 0.665 87.0 106.3 -82.8 -21.9 15.4 0.4 43.3 85 91 A D X - 0 0 63 -4,-1.0 4,-2.7 -3,-0.4 5,-0.3 -0.481 60.4-153.0 -70.6 120.4 15.1 -3.4 43.6 86 92 A D H > S+ 0 0 87 -2,-0.4 4,-1.8 1,-0.2 5,-0.2 0.877 91.3 46.6 -62.0 -42.6 18.4 -4.9 42.5 87 93 A T H > S+ 0 0 56 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.939 117.1 41.1 -65.2 -50.0 16.9 -8.2 41.3 88 94 A S H > S+ 0 0 21 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.909 114.7 50.4 -70.1 -42.7 14.1 -6.7 39.3 89 95 A S H X S+ 0 0 38 -4,-2.7 4,-2.0 -7,-0.3 -1,-0.2 0.897 113.7 47.0 -62.8 -38.2 16.1 -3.9 37.8 90 96 A S H X S+ 0 0 13 -4,-1.8 4,-2.9 -5,-0.3 5,-0.2 0.949 112.2 48.1 -68.9 -49.3 18.7 -6.4 36.7 91 97 A I H X S+ 0 0 2 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.964 113.1 49.3 -54.1 -51.7 16.3 -8.9 35.3 92 98 A N H < S+ 0 0 31 -4,-2.9 3,-0.3 1,-0.2 -1,-0.2 0.899 113.1 47.9 -52.6 -42.9 14.6 -6.0 33.4 93 99 A F H >< S+ 0 0 50 -4,-2.0 3,-2.3 1,-0.2 -1,-0.2 0.920 102.9 58.5 -68.3 -47.4 18.0 -4.8 32.1 94 100 A L H >< S+ 0 0 0 -4,-2.9 3,-2.1 1,-0.3 -1,-0.2 0.794 92.9 70.2 -54.6 -30.2 19.4 -8.1 30.9 95 101 A T T 3< S+ 0 0 26 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.645 79.4 76.8 -66.8 -12.9 16.4 -8.5 28.6 96 102 A R T < S+ 0 0 125 -3,-2.3 2,-0.6 -4,-0.2 -1,-0.3 0.613 76.3 91.2 -71.2 -10.2 17.7 -5.6 26.4 97 103 A V S X S- 0 0 1 -3,-2.1 3,-2.2 -4,-0.2 37,-0.1 -0.771 91.9-114.7 -82.8 124.2 20.2 -8.2 25.1 98 104 A S T 3 S+ 0 0 40 -2,-0.6 35,-0.4 35,-0.3 36,-0.2 -0.392 103.2 25.6 -61.1 130.4 18.8 -9.8 22.0 99 105 A G T 3 S+ 0 0 33 1,-0.2 2,-0.8 -4,-0.2 -1,-0.3 0.138 97.8 101.8 97.5 -20.3 18.2 -13.5 22.7 100 106 A I < + 0 0 5 -3,-2.2 -1,-0.2 -6,-0.2 -3,-0.1 -0.889 50.6 173.4 -96.5 108.7 17.8 -13.0 26.4 101 107 A G > - 0 0 29 -2,-0.8 4,-2.6 -3,-0.1 5,-0.2 -0.270 52.8 -76.4 -97.4-168.6 14.1 -13.1 27.3 102 108 A P H > S+ 0 0 40 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.862 129.7 51.7 -59.8 -36.5 12.4 -13.0 30.7 103 109 A S H > S+ 0 0 88 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.942 113.9 40.2 -68.0 -49.1 13.3 -16.6 31.4 104 110 A A H > S+ 0 0 21 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.903 115.0 53.5 -66.2 -41.0 17.0 -16.4 30.6 105 111 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.924 109.7 48.5 -59.3 -44.7 17.2 -13.0 32.4 106 112 A R H X S+ 0 0 100 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.949 112.6 47.9 -58.4 -49.2 15.6 -14.5 35.5 107 113 A K H X S+ 0 0 145 -4,-2.3 4,-1.5 1,-0.2 6,-0.2 0.919 110.9 50.2 -63.1 -45.7 18.0 -17.5 35.5 108 114 A F H ><>S+ 0 0 10 -4,-3.0 5,-2.8 1,-0.2 3,-0.6 0.956 113.1 46.0 -56.9 -49.4 21.1 -15.4 35.0 109 115 A V H ><5S+ 0 0 9 -4,-2.4 3,-2.2 1,-0.2 -2,-0.2 0.924 106.3 59.5 -64.1 -40.7 20.1 -13.1 37.9 110 116 A D H 3<5S+ 0 0 113 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.836 109.1 44.9 -51.4 -36.5 19.3 -16.1 40.1 111 117 A E T <<5S- 0 0 86 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.199 128.7 -96.6 -99.5 15.5 22.9 -17.3 39.7 112 118 A G T < 5S+ 0 0 42 -3,-2.2 2,-0.8 1,-0.2 -3,-0.2 0.506 82.2 131.4 91.9 6.1 24.4 -13.8 40.3 113 119 A I < + 0 0 7 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.815 17.4 142.5 -95.5 104.0 24.8 -12.7 36.7 114 120 A K + 0 0 72 -2,-0.8 2,-0.3 -3,-0.1 -1,-0.2 0.546 48.6 52.8-121.9 -15.1 23.3 -9.2 36.5 115 121 A T S > S- 0 0 43 1,-0.1 4,-2.5 -22,-0.1 5,-0.1 -0.781 80.7-110.0-126.6 167.2 25.4 -6.9 34.2 116 122 A L H > S+ 0 0 36 -2,-0.3 4,-3.3 1,-0.2 5,-0.1 0.896 122.9 54.5 -62.3 -37.7 26.9 -6.9 30.7 117 123 A E H > S+ 0 0 94 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.927 106.6 50.3 -59.3 -46.4 30.2 -7.3 32.4 118 124 A D H > S+ 0 0 34 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.929 112.2 47.4 -57.3 -45.8 28.9 -10.4 34.2 119 125 A L H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.949 106.8 57.3 -59.3 -48.2 27.7 -11.7 30.8 120 126 A R H >< S+ 0 0 176 -4,-3.3 3,-0.6 1,-0.3 -1,-0.2 0.845 107.8 48.6 -49.8 -37.8 31.1 -10.9 29.3 121 127 A K H 3< S+ 0 0 158 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.610 110.2 52.5 -79.1 -16.2 32.7 -13.1 31.9 122 128 A N T X< + 0 0 36 -3,-1.7 3,-1.9 -4,-0.8 4,-0.3 -0.254 57.1 144.4-121.7 49.3 30.3 -16.0 31.3 123 129 A E G X + 0 0 126 -3,-0.6 3,-2.4 1,-0.3 -1,-0.2 0.862 68.9 65.7 -48.7 -44.3 30.4 -16.7 27.6 124 130 A D G 3 S+ 0 0 125 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.719 99.3 53.4 -55.0 -21.4 30.0 -20.5 28.2 125 131 A K G < S+ 0 0 92 -3,-1.9 2,-0.4 -6,-0.2 -1,-0.3 0.463 95.4 86.6 -93.4 -1.5 26.5 -19.9 29.6 126 132 A L S < S- 0 0 8 -3,-2.4 -26,-0.0 -4,-0.3 2,-0.0 -0.828 71.0-135.9-103.9 134.3 25.3 -17.9 26.6 127 133 A N > - 0 0 85 -2,-0.4 4,-2.1 -28,-0.1 5,-0.2 -0.282 37.7 -93.8 -76.5 172.9 23.8 -19.4 23.4 128 134 A H H > S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.895 125.1 48.4 -55.1 -46.6 24.9 -18.3 19.9 129 135 A H H > S+ 0 0 50 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.951 111.5 50.6 -59.3 -47.7 22.1 -15.7 19.6 130 136 A Q H > S+ 0 0 13 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.823 107.0 54.0 -63.3 -33.4 22.8 -14.3 23.0 131 137 A R H X S+ 0 0 96 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.889 111.0 45.6 -67.2 -41.3 26.5 -13.9 22.2 132 138 A I H X S+ 0 0 6 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.912 111.2 53.1 -67.8 -42.0 25.7 -11.9 19.1 133 139 A G H < S+ 0 0 1 -4,-2.8 -35,-0.3 -35,-0.4 -2,-0.2 0.896 113.4 43.5 -57.6 -40.7 23.2 -9.8 21.1 134 140 A L H >< S+ 0 0 32 -4,-2.1 3,-1.7 -5,-0.2 4,-0.2 0.936 110.1 56.4 -70.0 -47.3 25.8 -9.1 23.7 135 141 A K H 3< S+ 0 0 140 -4,-2.7 3,-0.2 1,-0.3 -2,-0.2 0.876 120.5 29.0 -51.6 -43.1 28.4 -8.4 21.0 136 142 A Y T 3X S+ 0 0 16 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.003 79.6 133.8-109.2 31.4 26.3 -5.8 19.4 137 143 A F H <> S+ 0 0 26 -3,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.884 78.3 36.9 -50.1 -50.8 24.4 -4.6 22.4 138 144 A G H >4 S+ 0 0 41 -4,-0.2 3,-0.6 -3,-0.2 4,-0.5 0.901 115.7 52.1 -68.9 -43.5 24.9 -0.9 21.7 139 145 A D H >4 S+ 0 0 37 1,-0.3 3,-1.5 2,-0.2 -2,-0.2 0.907 105.9 55.3 -63.2 -42.1 24.6 -1.0 17.9 140 146 A F H 3< S+ 0 0 41 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.769 104.6 54.4 -63.7 -23.9 21.3 -2.9 18.2 141 147 A E T << S+ 0 0 92 -4,-0.8 -1,-0.3 -3,-0.6 2,-0.2 0.534 92.6 91.5 -88.5 -3.3 19.8 -0.2 20.3 142 148 A K S < S- 0 0 110 -3,-1.5 2,-0.1 -4,-0.5 -3,-0.0 -0.611 75.5-125.8 -86.5 148.8 20.7 2.5 17.7 143 149 A R - 0 0 141 -2,-0.2 40,-0.2 104,-0.0 -1,-0.1 -0.440 17.8-121.3 -87.4 169.0 18.2 3.5 15.1 144 150 A I E -A 182 0A 1 38,-3.3 38,-2.5 -2,-0.1 40,-0.1 -0.940 20.7-134.3-115.4 112.8 18.9 3.5 11.3 145 151 A P E >> -A 181 0A 55 0, 0.0 4,-1.9 0, 0.0 3,-1.3 -0.291 26.0-113.6 -61.1 149.3 18.5 6.8 9.5 146 152 A R H 3> S+ 0 0 75 34,-2.0 4,-2.7 1,-0.3 5,-0.2 0.792 114.8 61.8 -58.1 -31.2 16.6 6.5 6.2 147 153 A E H 3> S+ 0 0 115 33,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.862 106.5 45.4 -65.1 -33.2 19.8 7.4 4.2 148 154 A E H <> S+ 0 0 30 -3,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.876 109.7 54.9 -78.0 -37.9 21.5 4.3 5.5 149 155 A M H X S+ 0 0 1 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.905 107.9 50.2 -54.1 -45.1 18.3 2.2 4.9 150 156 A L H X S+ 0 0 56 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.921 111.3 47.8 -63.8 -41.9 18.5 3.3 1.2 151 157 A Q H X S+ 0 0 55 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.870 113.2 48.5 -63.1 -38.1 22.1 2.4 1.0 152 158 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.923 110.6 50.4 -68.4 -43.8 21.4 -1.0 2.6 153 159 A Q H X S+ 0 0 45 -4,-3.0 4,-3.3 1,-0.2 5,-0.4 0.911 104.8 58.5 -59.7 -46.0 18.4 -1.5 0.2 154 160 A D H X S+ 0 0 104 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.903 110.1 43.7 -46.7 -47.9 20.7 -0.7 -2.7 155 161 A I H X S+ 0 0 37 -4,-1.4 4,-2.8 2,-0.2 5,-0.3 0.956 114.6 47.6 -67.5 -50.0 23.0 -3.6 -1.7 156 162 A V H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.913 114.9 45.2 -58.6 -44.4 20.2 -6.1 -1.0 157 163 A L H X S+ 0 0 71 -4,-3.3 4,-1.6 2,-0.2 -1,-0.2 0.866 114.5 49.1 -71.5 -35.5 18.4 -5.4 -4.2 158 164 A N H X S+ 0 0 94 -4,-1.8 4,-1.6 -5,-0.4 -2,-0.2 0.949 114.4 42.9 -65.8 -52.6 21.6 -5.5 -6.3 159 165 A E H X S+ 0 0 16 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.860 111.4 54.3 -66.6 -37.3 22.9 -8.8 -4.8 160 166 A V H X S+ 0 0 5 -4,-2.3 4,-2.0 -5,-0.3 3,-0.3 0.961 111.2 45.5 -59.5 -48.9 19.5 -10.5 -5.0 161 167 A K H < S+ 0 0 145 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.820 108.9 57.3 -63.3 -31.0 19.2 -9.7 -8.7 162 168 A K H < S+ 0 0 117 -4,-1.6 -1,-0.2 1,-0.2 3,-0.2 0.863 106.4 48.8 -70.1 -35.4 22.8 -10.8 -9.2 163 169 A V H < S- 0 0 38 -4,-1.8 2,-0.3 1,-0.3 -2,-0.2 0.917 140.9 -15.5 -68.4 -45.1 22.0 -14.3 -7.8 164 170 A D >< - 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