==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA/LYASE/TRANSFERASE 29-APR-05 1ZJM . COMPND 2 MOLECULE: D(*CP*CP*GP*AP*CP*CP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C . SOURCE 2 SYNTHETIC: YES; . AUTHOR V.K.BATRA,W.A.BEARD,D.D.SHOCK,L.C.PEDERSEN,S.H.WILSON . 323 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17811.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 69.3 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 . 29 9.0 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 . 3 0.9 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 . 16 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 38.7 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 1 3 0 1 2 3 0 1 0 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 10 A T 0 0 181 0, 0.0 4,-0.2 0, 0.0 42,-0.0 0.000 360.0 360.0 360.0 -30.5 24.5 -18.2 12.7 2 11 A L - 0 0 92 1,-0.2 3,-0.1 36,-0.1 36,-0.1 0.992 360.0 -17.3 -59.8 -67.9 25.6 -17.7 9.1 3 12 A N S > S+ 0 0 14 40,-0.1 4,-2.7 35,-0.1 3,-0.3 -0.045 93.4 128.8-131.8 30.0 27.3 -14.4 9.3 4 13 A G H > S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.826 73.4 54.8 -56.4 -36.2 26.0 -13.1 12.6 5 14 A G H > S+ 0 0 34 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.910 111.5 45.1 -64.8 -41.0 29.5 -12.3 13.9 6 15 A I H > S+ 0 0 2 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.929 114.5 47.2 -68.0 -46.5 30.2 -10.2 10.8 7 16 A T H X S+ 0 0 22 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.846 112.4 49.3 -66.2 -34.7 26.8 -8.4 11.0 8 17 A D H X S+ 0 0 107 -4,-2.4 4,-2.9 -5,-0.2 5,-0.2 0.934 110.5 51.9 -68.0 -44.4 27.1 -7.7 14.7 9 18 A M H X S+ 0 0 5 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.934 112.5 44.4 -55.0 -50.6 30.7 -6.4 14.2 10 19 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.894 113.3 50.8 -63.7 -40.9 29.5 -4.0 11.4 11 20 A T H X S+ 0 0 62 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.906 110.5 49.0 -64.4 -41.7 26.5 -2.9 13.5 12 21 A E H X S+ 0 0 44 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.912 111.3 49.9 -64.6 -41.4 28.7 -2.2 16.5 13 22 A L H X S+ 0 0 8 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.907 107.8 55.5 -62.0 -41.3 31.0 -0.2 14.2 14 23 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.935 105.6 51.3 -56.3 -49.4 28.0 1.7 12.9 15 24 A N H X S+ 0 0 52 -4,-2.2 4,-3.3 1,-0.2 5,-0.4 0.890 108.7 49.4 -57.8 -44.7 26.9 2.8 16.4 16 25 A F H X>S+ 0 0 11 -4,-1.8 5,-2.5 2,-0.2 4,-2.0 0.874 109.7 52.9 -63.6 -37.0 30.4 4.2 17.4 17 26 A E H <>S+ 0 0 30 -4,-2.0 6,-2.5 3,-0.2 5,-0.5 0.955 117.5 37.6 -61.8 -48.7 30.5 6.1 14.1 18 27 A K H <5S+ 0 0 63 -4,-2.4 -2,-0.2 4,-0.2 4,-0.2 0.972 127.5 31.8 -66.7 -55.9 27.1 7.7 14.8 19 28 A N H <5S+ 0 0 6 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.825 133.9 19.7 -76.7 -36.2 27.4 8.2 18.6 20 29 A V T <5S+ 0 0 21 -4,-2.0 -3,-0.2 -5,-0.4 -4,-0.1 0.868 132.4 33.6-102.4 -50.2 31.1 8.8 19.2 21 30 A S T > + 0 0 28 -6,-2.5 4,-2.4 1,-0.1 3,-0.8 -0.779 23.6 177.2-120.9 81.8 29.8 10.5 11.2 24 33 A I H 3> S+ 0 0 79 -2,-0.5 4,-2.4 1,-0.3 5,-0.2 0.814 78.4 55.2 -56.8 -35.0 26.3 9.7 10.1 25 34 A H H 3> S+ 0 0 155 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.806 109.4 45.3 -72.4 -29.3 27.3 8.8 6.6 26 35 A K H <> S+ 0 0 123 -3,-0.8 4,-2.6 2,-0.2 5,-0.2 0.856 109.4 58.5 -77.9 -36.1 29.7 6.1 7.8 27 36 A Y H X S+ 0 0 31 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.963 110.5 41.1 -52.5 -55.1 27.0 5.0 10.2 28 37 A N H X S+ 0 0 70 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.851 110.5 58.5 -63.3 -37.0 24.7 4.3 7.3 29 38 A A H X S+ 0 0 48 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.934 108.7 44.5 -59.8 -45.8 27.5 2.8 5.2 30 39 A Y H X S+ 0 0 29 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.902 114.4 49.1 -65.8 -40.8 28.1 0.2 7.9 31 40 A R H X S+ 0 0 119 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.911 110.9 50.0 -64.2 -42.8 24.4 -0.5 8.4 32 41 A K H X S+ 0 0 131 -4,-3.0 4,-2.3 2,-0.2 5,-0.2 0.932 112.8 47.1 -60.0 -47.6 23.9 -0.9 4.6 33 42 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 22,-0.3 -2,-0.2 0.930 112.2 50.2 -59.7 -46.3 26.9 -3.3 4.5 34 43 A A H X S+ 0 0 7 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.864 110.6 50.5 -60.9 -38.7 25.4 -5.2 7.5 35 44 A S H X S+ 0 0 60 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.945 109.6 46.9 -66.9 -50.8 22.0 -5.4 5.8 36 45 A V H X S+ 0 0 31 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.857 114.8 49.4 -60.4 -33.9 23.1 -6.8 2.5 37 46 A I H < S+ 0 0 1 -4,-1.8 3,-0.4 -5,-0.2 -1,-0.2 0.841 104.4 57.8 -73.2 -33.6 25.3 -9.3 4.4 38 47 A A H < S+ 0 0 69 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.790 109.5 46.5 -66.0 -26.4 22.4 -10.3 6.6 39 48 A K H < S+ 0 0 136 -4,-1.3 -1,-0.2 -3,-0.1 -2,-0.2 0.601 83.5 109.1 -91.0 -14.8 20.5 -11.2 3.4 40 49 A Y < - 0 0 50 -4,-0.7 2,-1.1 -3,-0.4 4,-0.1 -0.526 64.3-146.1 -67.8 113.8 23.4 -13.2 1.8 41 50 A P S S+ 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.040 71.2 72.6 -73.8 35.3 22.4 -16.9 1.9 42 51 A H S S- 0 0 103 -2,-1.1 2,-0.9 -39,-0.0 -2,-0.1 -0.998 86.9-108.7-149.6 147.9 25.9 -18.1 2.4 43 52 A K - 0 0 129 -2,-0.3 -40,-0.1 1,-0.1 -41,-0.0 -0.689 44.8-125.7 -79.6 108.6 28.5 -18.2 5.1 44 53 A I - 0 0 4 -2,-0.9 3,-0.1 1,-0.1 -38,-0.1 -0.268 27.6-175.5 -55.0 134.4 31.1 -15.7 4.0 45 54 A K + 0 0 161 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.479 62.7 12.3-111.9 -8.5 34.6 -17.2 3.8 46 55 A S > - 0 0 39 1,-0.1 4,-1.8 22,-0.0 -1,-0.2 -0.994 68.6-111.9-163.2 162.3 36.6 -14.2 2.9 47 56 A G H > S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.858 116.1 58.3 -66.4 -34.6 36.6 -10.4 2.5 48 57 A A H > S+ 0 0 69 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.892 104.7 50.3 -61.8 -40.0 36.9 -10.8 -1.3 49 58 A E H >4 S+ 0 0 35 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.943 112.9 46.8 -63.2 -46.7 33.7 -12.8 -1.4 50 59 A A H >< S+ 0 0 0 -4,-1.8 3,-1.9 1,-0.2 -2,-0.2 0.826 100.3 66.3 -65.2 -34.4 31.9 -10.1 0.7 51 60 A K H 3< S+ 0 0 99 -4,-2.3 -1,-0.2 1,-0.3 5,-0.2 0.710 86.7 71.2 -63.0 -19.1 33.2 -7.2 -1.4 52 61 A K T << S+ 0 0 183 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.673 83.7 86.9 -69.6 -18.0 31.2 -8.5 -4.4 53 62 A L S X S- 0 0 27 -3,-1.9 3,-1.6 -4,-0.2 2,-0.4 -0.614 93.3-104.6 -84.5 143.3 28.0 -7.4 -2.6 54 63 A P T 3 S+ 0 0 98 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.521 107.3 30.4 -69.9 122.9 26.9 -3.7 -3.0 55 64 A G T 3 S+ 0 0 30 -2,-0.4 2,-0.6 1,-0.3 -22,-0.3 0.245 95.7 100.6 113.8 -12.7 27.7 -1.7 0.0 56 65 A V < + 0 0 10 -3,-1.6 -1,-0.3 -5,-0.2 2,-0.1 -0.938 51.2 174.7-108.6 119.3 30.8 -3.7 1.0 57 66 A G > - 0 0 33 -2,-0.6 4,-1.5 -3,-0.1 5,-0.1 -0.226 46.7 -71.8-108.6-160.8 34.0 -2.0 0.0 58 67 A T H > S+ 0 0 73 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.917 125.5 46.1 -61.6 -48.3 37.8 -2.5 0.5 59 68 A K H > S+ 0 0 132 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.898 113.4 46.8 -67.0 -42.0 37.9 -1.6 4.1 60 69 A I H > S+ 0 0 16 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.814 111.2 54.6 -69.9 -26.9 35.0 -3.7 5.3 61 70 A A H X S+ 0 0 9 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.927 109.2 47.0 -68.9 -43.7 36.4 -6.5 3.2 62 71 A E H X S+ 0 0 114 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.899 110.8 52.2 -63.4 -41.1 39.7 -6.1 5.1 63 72 A K H X S+ 0 0 22 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.879 109.0 50.1 -63.8 -37.2 37.9 -6.0 8.4 64 73 A I H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.917 107.1 54.3 -68.1 -41.5 36.0 -9.2 7.5 65 74 A D H X S+ 0 0 79 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.920 111.6 45.6 -56.9 -42.9 39.3 -10.9 6.7 66 75 A E H X S+ 0 0 65 -4,-2.1 4,-2.8 2,-0.2 6,-0.5 0.937 113.3 48.7 -65.4 -48.2 40.6 -10.0 10.1 67 76 A F H X S+ 0 0 46 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.874 112.7 48.1 -60.5 -39.7 37.5 -11.1 11.9 68 77 A L H < S+ 0 0 67 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.892 116.5 42.5 -69.9 -38.2 37.4 -14.4 10.1 69 78 A A H < S+ 0 0 87 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.869 131.7 20.6 -77.1 -37.0 41.1 -15.2 10.8 70 79 A T H < S- 0 0 80 -4,-2.8 -3,-0.2 2,-0.3 -2,-0.2 0.578 95.9-122.1-108.7 -14.9 41.3 -14.0 14.4 71 80 A G S < S+ 0 0 53 -4,-1.9 2,-0.3 -5,-0.5 -4,-0.2 0.616 85.9 51.1 82.1 10.3 37.6 -14.1 15.5 72 81 A K S S- 0 0 95 -6,-0.5 2,-0.4 -5,-0.0 -2,-0.3 -0.945 77.7-115.7-160.8 179.1 37.7 -10.4 16.5 73 82 A L > - 0 0 6 -2,-0.3 4,-2.6 1,-0.1 3,-0.4 -0.966 17.5-147.4-131.5 114.6 38.6 -6.9 15.3 74 83 A R H > S+ 0 0 184 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.881 98.2 50.5 -46.7 -50.4 41.4 -5.1 17.2 75 84 A K H > S+ 0 0 132 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.891 112.4 46.4 -58.3 -42.4 39.8 -1.6 16.7 76 85 A L H > S+ 0 0 4 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.916 110.9 52.2 -67.6 -42.7 36.4 -2.8 18.0 77 86 A E H X S+ 0 0 64 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.896 112.5 46.7 -59.6 -40.6 38.0 -4.6 21.0 78 87 A K H X S+ 0 0 120 -4,-2.3 4,-0.7 -5,-0.2 3,-0.3 0.935 111.3 49.9 -68.0 -46.4 39.9 -1.4 21.9 79 88 A I H >< S+ 0 0 49 -4,-2.4 3,-0.9 1,-0.2 7,-0.3 0.889 106.3 57.4 -59.3 -41.4 36.8 0.9 21.5 80 89 A R H 3< S+ 0 0 122 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.874 108.9 44.4 -57.4 -42.0 34.8 -1.5 23.7 81 90 A Q H 3< S+ 0 0 134 -4,-1.3 2,-0.7 -3,-0.3 -1,-0.2 0.547 86.7 108.9 -82.6 -7.0 37.2 -1.1 26.6 82 91 A D S+ 0 0 88 -2,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.872 90.9 45.5 -50.7 -47.3 35.7 4.2 29.2 84 93 A T H > S+ 0 0 59 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.944 116.4 42.2 -64.9 -52.2 35.0 7.5 27.4 85 94 A S H > S+ 0 0 26 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.859 114.3 49.4 -66.8 -38.7 33.7 6.0 24.1 86 95 A S H X S+ 0 0 41 -4,-2.7 4,-2.0 -7,-0.3 -1,-0.2 0.836 112.5 49.6 -71.6 -30.4 31.6 3.2 25.6 87 96 A S H X S+ 0 0 12 -4,-1.4 4,-2.7 -5,-0.3 -2,-0.2 0.903 111.5 47.2 -72.8 -42.2 30.0 5.7 27.9 88 97 A I H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.968 113.8 48.3 -61.8 -51.4 29.2 8.1 25.1 89 98 A N H < S+ 0 0 31 -4,-2.4 4,-0.2 1,-0.2 -2,-0.2 0.900 113.5 48.8 -55.3 -43.2 27.8 5.3 23.0 90 99 A F H >< S+ 0 0 53 -4,-2.0 3,-2.0 1,-0.2 -1,-0.2 0.913 104.7 55.7 -65.7 -46.7 25.8 4.1 26.0 91 100 A L H >< S+ 0 0 0 -4,-2.7 3,-2.3 1,-0.3 -1,-0.2 0.816 94.5 68.8 -58.1 -31.1 24.2 7.4 27.0 92 101 A T T 3< S+ 0 0 23 -4,-1.5 -1,-0.3 1,-0.3 5,-0.2 0.648 81.2 76.5 -64.6 -11.5 22.8 7.9 23.5 93 102 A R T < S+ 0 0 129 -3,-2.0 2,-0.6 -4,-0.2 -1,-0.3 0.674 76.4 91.1 -71.5 -14.2 20.4 5.0 24.2 94 103 A V S X S- 0 0 1 -3,-2.3 3,-2.6 -4,-0.2 37,-0.1 -0.729 90.9-119.1 -82.5 120.1 18.5 7.5 26.3 95 104 A S T 3 S+ 0 0 39 -2,-0.6 35,-0.4 35,-0.3 36,-0.1 -0.379 102.6 30.2 -59.1 128.7 15.9 9.1 24.1 96 105 A G T 3 S+ 0 0 29 -4,-0.2 2,-0.7 1,-0.2 -1,-0.3 0.135 98.8 97.2 106.7 -21.9 16.6 12.8 24.0 97 106 A I < + 0 0 5 -3,-2.6 -1,-0.2 -6,-0.2 -3,-0.1 -0.896 52.6 174.2-104.6 106.7 20.3 12.3 24.4 98 107 A G > - 0 0 31 -2,-0.7 4,-2.7 -3,-0.1 5,-0.2 -0.217 52.1 -77.0 -96.1-168.1 22.1 12.4 21.0 99 108 A P H > S+ 0 0 38 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.882 130.1 50.8 -58.8 -39.8 25.8 12.3 20.2 100 109 A S H > S+ 0 0 89 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.949 114.4 40.5 -65.4 -50.7 26.3 15.9 21.2 101 110 A A H > S+ 0 0 20 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.906 114.4 53.2 -65.3 -42.8 24.6 15.7 24.6 102 111 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.908 110.1 48.8 -59.3 -42.7 26.2 12.3 25.4 103 112 A R H X S+ 0 0 96 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.890 112.1 47.7 -64.2 -40.8 29.6 13.8 24.6 104 113 A K H X S+ 0 0 131 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.895 110.9 51.3 -69.2 -39.1 29.0 16.8 26.8 105 114 A F H ><>S+ 0 0 6 -4,-2.7 5,-2.9 1,-0.2 3,-0.6 0.934 111.4 47.1 -63.0 -45.8 27.7 14.7 29.7 106 115 A V H ><5S+ 0 0 10 -4,-2.3 3,-1.9 1,-0.2 -1,-0.2 0.884 104.4 61.4 -64.8 -36.2 30.8 12.4 29.6 107 116 A D H 3<5S+ 0 0 108 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.805 109.1 43.2 -59.9 -29.6 33.1 15.4 29.4 108 117 A E T <<5S- 0 0 89 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.040 127.8 -93.7-106.1 27.2 31.8 16.5 32.8 109 118 A G T < 5S+ 0 0 44 -3,-1.9 2,-0.9 1,-0.2 -3,-0.2 0.516 83.0 130.6 80.8 4.9 31.8 13.1 34.5 110 119 A I < + 0 0 5 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.2 -0.836 18.4 141.1 -94.1 109.3 28.2 12.0 33.8 111 120 A K + 0 0 64 -2,-0.9 2,-0.3 -3,-0.1 -1,-0.2 0.547 50.2 49.1-125.1 -13.9 28.6 8.5 32.3 112 121 A T S > S- 0 0 49 1,-0.1 4,-2.2 -22,-0.0 5,-0.1 -0.802 80.8-109.5-128.2 169.5 25.8 6.3 33.7 113 122 A L H > S+ 0 0 21 -2,-0.3 4,-2.8 1,-0.2 5,-0.1 0.854 121.7 57.6 -63.2 -32.8 22.1 6.2 34.1 114 123 A E H > S+ 0 0 91 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.919 106.1 46.9 -63.3 -44.5 22.9 6.6 37.8 115 124 A D H 4 S+ 0 0 41 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.879 111.9 51.5 -65.3 -37.9 24.8 9.8 37.2 116 125 A L H >< S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.2 -2,-0.2 0.946 104.4 57.5 -63.4 -45.9 21.9 11.1 35.0 117 126 A R H >< S+ 0 0 138 -4,-2.8 3,-0.6 1,-0.3 -1,-0.2 0.850 109.4 44.5 -52.1 -39.3 19.4 10.3 37.8 118 127 A K T 3< S+ 0 0 152 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.290 111.2 54.7 -91.9 11.0 21.3 12.5 40.2 119 128 A N T X + 0 0 39 -3,-2.2 3,-2.8 -4,-0.1 4,-0.3 -0.144 61.0 141.3-132.9 37.8 21.8 15.4 37.7 120 129 A E G X + 0 0 111 -3,-0.6 3,-2.2 1,-0.3 -1,-0.1 0.825 65.8 66.9 -48.6 -39.5 18.2 15.9 36.7 121 130 A D G 3 S+ 0 0 126 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.664 98.0 55.2 -60.2 -14.5 18.7 19.7 36.6 122 131 A K G < S+ 0 0 87 -3,-2.8 2,-0.4 -6,-0.2 -1,-0.3 0.497 93.7 84.1 -96.9 -5.0 21.0 19.0 33.6 123 132 A L S < S- 0 0 7 -3,-2.2 -26,-0.0 -4,-0.3 2,-0.0 -0.800 72.4-134.8-100.6 138.7 18.4 17.1 31.6 124 133 A N > - 0 0 85 -2,-0.4 4,-2.1 -28,-0.1 5,-0.2 -0.278 39.7 -90.8 -79.5 175.7 15.8 18.8 29.3 125 134 A H H > S+ 0 0 119 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.914 125.9 48.9 -54.0 -49.1 12.2 17.6 29.4 126 135 A H H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.944 110.9 50.3 -57.4 -50.0 12.6 15.1 26.6 127 136 A Q H > S+ 0 0 13 -31,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.865 106.6 54.5 -59.1 -38.2 15.7 13.6 28.2 128 137 A R H X S+ 0 0 99 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.882 110.6 46.6 -63.7 -38.1 14.1 13.2 31.6 129 138 A I H X S+ 0 0 9 -4,-1.7 4,-1.9 -3,-0.3 -1,-0.2 0.865 110.3 53.5 -70.3 -37.1 11.2 11.2 30.0 130 139 A G H < S+ 0 0 1 -4,-2.3 -35,-0.3 -35,-0.4 -2,-0.2 0.865 111.2 45.9 -65.4 -35.7 13.8 9.2 28.1 131 140 A L H >< S+ 0 0 28 -4,-2.2 3,-1.7 2,-0.2 4,-0.3 0.937 109.2 55.1 -71.0 -47.0 15.5 8.3 31.4 132 141 A K H 3< S+ 0 0 143 -4,-2.4 -2,-0.2 1,-0.3 3,-0.2 0.849 120.1 31.3 -54.8 -38.1 12.3 7.5 33.1 133 142 A Y T 3X S+ 0 0 10 -4,-1.9 4,-3.1 1,-0.2 -1,-0.3 0.039 78.5 129.7-112.0 27.6 11.3 5.0 30.4 134 143 A F H <> S+ 0 0 26 -3,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.898 79.7 39.0 -45.1 -54.6 14.8 3.8 29.5 135 144 A G H >> S+ 0 0 43 -4,-0.3 3,-1.0 -3,-0.2 4,-0.6 0.936 115.4 49.8 -65.7 -49.7 13.8 0.1 29.8 136 145 A D H >4 S+ 0 0 37 1,-0.2 3,-1.4 2,-0.2 -2,-0.2 0.911 106.1 58.2 -57.4 -42.9 10.3 0.3 28.4 137 146 A F H 3< S+ 0 0 41 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.726 103.3 52.0 -61.7 -24.0 11.6 2.2 25.3 138 147 A E H << S+ 0 0 91 -3,-1.0 -1,-0.3 -4,-0.8 2,-0.2 0.586 92.2 93.1 -89.4 -8.8 14.0 -0.6 24.3 139 148 A K S << S- 0 0 116 -3,-1.4 2,-0.1 -4,-0.6 -3,-0.0 -0.550 76.3-125.3 -81.9 147.9 11.3 -3.3 24.5 140 149 A R - 0 0 139 -2,-0.2 40,-0.2 102,-0.0 -1,-0.1 -0.451 19.4-117.8 -87.6 166.9 9.5 -4.2 21.3 141 150 A I E -A 179 0A 0 38,-3.8 38,-2.4 -2,-0.1 40,-0.1 -0.911 22.1-133.5-111.0 112.5 5.7 -4.1 21.0 142 151 A P E >> -A 178 0A 52 0, 0.0 4,-1.9 0, 0.0 3,-0.9 -0.294 23.4-117.2 -60.4 147.5 3.9 -7.4 20.2 143 152 A R H 3> S+ 0 0 62 34,-2.3 4,-2.4 1,-0.3 5,-0.2 0.828 113.2 60.4 -55.0 -35.9 1.3 -7.1 17.4 144 153 A E H 3> S+ 0 0 119 33,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.862 107.9 44.4 -61.6 -37.0 -1.5 -8.1 19.8 145 154 A E H <> S+ 0 0 32 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.863 109.6 55.9 -75.3 -35.3 -0.7 -5.0 21.9 146 155 A M H X S+ 0 0 2 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.892 106.8 50.9 -62.4 -38.7 -0.4 -2.9 18.8 147 156 A L H X S+ 0 0 56 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.921 110.1 48.9 -64.9 -42.9 -4.0 -4.0 17.9 148 157 A Q H X S+ 0 0 57 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.889 111.6 50.2 -63.5 -37.2 -5.2 -3.0 21.4 149 158 A M H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.916 109.4 50.5 -66.4 -42.5 -3.4 0.3 21.0 150 159 A Q H X S+ 0 0 46 -4,-2.6 4,-3.2 1,-0.2 5,-0.4 0.916 104.8 58.4 -60.7 -44.9 -5.1 0.9 17.6 151 160 A D H X S+ 0 0 104 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.920 110.4 42.7 -50.5 -49.2 -8.5 0.1 19.0 152 161 A I H X S+ 0 0 39 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.941 114.5 49.7 -65.9 -47.4 -8.1 2.9 21.5 153 162 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.938 114.8 42.7 -57.7 -50.6 -6.6 5.4 19.0 154 163 A L H X S+ 0 0 67 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.867 114.8 51.6 -65.3 -36.7 -9.3 4.9 16.4 155 164 A N H X S+ 0 0 95 -4,-2.0 4,-1.6 -5,-0.4 -2,-0.2 0.927 114.5 40.4 -66.7 -47.6 -12.1 4.9 19.0 156 165 A E H X S+ 0 0 14 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.904 113.3 54.2 -70.5 -40.4 -11.1 8.1 20.7 157 166 A V H X S+ 0 0 6 -4,-2.4 4,-1.7 -5,-0.3 3,-0.4 0.951 111.9 44.5 -57.5 -49.0 -10.3 9.9 17.4 158 167 A K H < S+ 0 0 146 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.845 108.4 59.2 -63.8 -33.8 -13.7 9.0 16.1 159 168 A K H < S+ 0 0 124 -4,-1.6 -1,-0.2 1,-0.2 3,-0.2 0.848 105.7 48.4 -63.8 -34.9 -15.2 10.1 19.4 160 169 A V H < S- 0 0 38 -4,-1.9 2,-0.2 -3,-0.4 -1,-0.2 0.885 140.5 -15.3 -72.3 -41.4 -13.7 13.6 19.0 161 170 A D >< - 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