==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 10-FEB-98 1A41 . COMPND 2 MOLECULE: TOPOISOMERASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: VACCINIA VIRUS; . AUTHOR C.CHENG,P.KUSSIE,N.PAVLETICH,S.SHUMAN . 221 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11795.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 77.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 6.8 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0.5 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 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 51.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 0 2 0 0 1 1 0 1 1 0 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 81 A N > 0 0 103 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 121.1 5.3 54.3 4.9 2 82 A A H > + 0 0 67 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.872 360.0 44.6 -50.5 -60.8 5.4 58.0 3.6 3 83 A K H >> S+ 0 0 113 1,-0.2 4,-2.3 2,-0.2 3,-0.5 0.978 114.4 44.7 -52.5 -67.4 1.6 58.3 3.0 4 84 A R H 3> S+ 0 0 80 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.751 112.4 54.4 -54.7 -28.4 0.2 56.7 6.2 5 85 A D H 3X S+ 0 0 33 -4,-1.6 4,-2.2 2,-0.2 -1,-0.3 0.898 108.4 49.8 -69.2 -46.7 2.8 58.6 8.3 6 86 A R H X S+ 0 0 63 -4,-1.5 4,-1.3 -3,-0.4 3,-0.7 0.915 113.8 55.4 -84.0 -48.0 -3.1 67.8 14.6 14 94 A V H 3X S+ 0 0 12 -4,-3.3 4,-2.3 1,-0.3 3,-0.3 0.866 103.4 59.0 -52.5 -37.0 -6.4 68.4 12.7 15 95 A M H 3X S+ 0 0 21 -4,-2.9 4,-1.8 1,-0.3 -1,-0.3 0.882 99.9 55.7 -60.6 -39.2 -8.1 66.8 15.8 16 96 A K H X S+ 0 0 23 -4,-1.9 3,-2.1 2,-0.2 4,-1.9 0.974 109.4 51.8 -50.7 -52.0 -13.8 74.8 17.0 22 102 A I H 3X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.3 5,-0.3 0.940 106.6 50.9 -50.8 -57.6 -15.8 72.7 19.5 23 103 A N H 3< S+ 0 0 91 -4,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.543 113.5 49.5 -61.5 -4.7 -14.9 74.9 22.5 24 104 A K H X< S+ 0 0 130 -3,-2.1 3,-1.7 -4,-0.7 4,-0.4 0.865 115.1 37.2 -91.0 -69.3 -15.9 77.9 20.4 25 105 A N H >< S+ 0 0 8 -4,-1.9 3,-0.7 1,-0.3 -2,-0.2 0.603 101.8 69.6 -59.9 -26.9 -19.3 76.8 19.2 26 106 A I T 3< S+ 0 0 38 -4,-2.4 -1,-0.3 -5,-0.3 -3,-0.1 0.698 98.0 55.1 -70.2 -13.9 -20.6 74.9 22.2 27 107 A K T < S+ 0 0 81 -3,-1.7 2,-2.2 -5,-0.3 -1,-0.2 0.730 85.5 99.8 -84.2 -19.3 -20.8 78.3 23.9 28 108 A K S <> S- 0 0 32 -3,-0.7 4,-0.6 -4,-0.4 7,-0.2 -0.314 94.1-103.2 -72.1 69.6 -23.0 79.4 21.0 29 109 A S T 4 - 0 0 57 -2,-2.2 71,-0.0 2,-0.1 -1,-0.0 -0.270 46.9 -87.7 53.2-129.1 -26.6 79.1 22.4 30 110 A S T 4 S+ 0 0 42 71,-0.0 5,-0.2 -3,-0.0 6,-0.2 0.256 113.6 59.5-138.7 -80.5 -28.4 76.0 21.1 31 111 A T T 4 S+ 0 0 98 4,-0.1 2,-0.2 3,-0.1 -2,-0.1 0.489 76.1 120.6 -36.5 -13.9 -30.2 76.6 17.8 32 112 A D X - 0 0 71 -4,-0.6 4,-2.2 1,-0.2 5,-0.2 -0.444 61.2-147.6 -62.8 126.2 -26.9 77.5 16.2 33 113 A S T 4 S+ 0 0 35 1,-0.2 4,-0.3 -2,-0.2 -1,-0.2 0.780 104.5 49.5 -63.1 -24.1 -26.2 75.2 13.3 34 114 A N T > S+ 0 0 79 2,-0.2 4,-2.7 1,-0.2 3,-0.3 0.823 107.2 50.8 -84.3 -32.0 -22.6 75.7 14.2 35 115 A Y H > S+ 0 0 1 1,-0.2 4,-1.3 -7,-0.2 -2,-0.2 0.842 110.9 52.1 -68.8 -31.3 -23.2 74.9 17.9 36 116 A Q H X S+ 0 0 5 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.627 108.4 50.8 -73.4 -21.7 -25.0 71.9 16.5 37 117 A L H >> S+ 0 0 16 -3,-0.3 4,-3.9 -4,-0.3 3,-0.5 0.951 108.0 50.7 -77.8 -58.7 -21.8 71.1 14.5 38 118 A A H 3X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.3 -2,-0.2 0.749 112.5 47.7 -47.5 -36.3 -19.5 71.4 17.5 39 119 A V H 3X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -1,-0.3 0.874 117.5 41.0 -75.1 -38.6 -21.9 69.0 19.4 40 120 A F H + 0 0 82 2,-0.1 4,-1.4 3,-0.1 3,-0.4 0.783 360.0 64.5 -95.8 -36.4 -22.1 56.3 6.4 52 140 A N H > S+ 0 0 49 1,-0.2 4,-1.2 2,-0.2 3,-0.1 0.856 106.9 39.6 -52.6 -53.4 -25.0 54.0 7.5 53 141 A E H > S+ 0 0 28 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.594 104.4 70.0 -77.6 -13.0 -25.1 55.1 11.2 54 142 A T H > S+ 0 0 32 -3,-0.4 4,-1.5 2,-0.2 3,-0.3 0.919 99.1 50.9 -68.4 -41.6 -24.5 58.7 10.1 55 143 A V H >X S+ 0 0 55 -4,-1.4 4,-2.0 1,-0.2 3,-0.9 0.978 107.4 51.5 -56.9 -59.6 -28.0 58.7 8.7 56 144 A G H 3< S+ 0 0 2 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.723 106.7 54.5 -50.3 -32.6 -29.5 57.3 11.9 57 145 A L H >< S+ 0 0 15 -4,-1.3 3,-0.7 -3,-0.3 55,-0.4 0.835 112.8 40.4 -72.6 -40.3 -27.8 60.0 14.1 58 146 A L H << S+ 0 0 19 -4,-1.5 -2,-0.2 -3,-0.9 -1,-0.2 0.700 113.5 57.9 -78.6 -17.6 -29.3 62.9 12.0 59 147 A T T 3< S+ 0 0 76 -4,-2.0 2,-0.6 -5,-0.3 18,-0.3 -0.275 82.9 129.8 -98.8 38.5 -32.3 60.6 12.0 60 148 A L < - 0 0 0 -3,-0.7 51,-3.1 -5,-0.1 52,-0.3 -0.908 49.3-149.0-100.7 117.8 -32.1 60.9 15.8 61 149 A K B > -A 110 0A 23 -2,-0.6 3,-2.2 14,-0.3 4,-0.3 -0.690 19.3-127.8 -86.6 141.3 -35.5 61.9 17.4 62 150 A N G > S+ 0 0 10 47,-2.2 3,-1.2 44,-0.5 46,-0.2 0.796 107.3 66.9 -56.0 -26.9 -35.6 63.9 20.6 63 151 A K G 3 S+ 0 0 65 44,-2.0 -1,-0.3 46,-0.2 45,-0.1 0.501 94.6 54.3 -77.9 -2.2 -37.9 61.1 21.9 64 152 A H G < S+ 0 0 36 -3,-2.2 2,-0.9 43,-0.1 11,-0.8 0.382 85.8 92.1-106.9 5.1 -35.2 58.4 21.9 65 153 A I E < -B 74 0B 6 -3,-1.2 9,-0.2 -4,-0.3 -1,-0.1 -0.585 65.7-159.6 -99.6 73.3 -32.7 60.6 24.1 66 154 A E E -B 73 0B 62 7,-1.3 7,-2.0 -2,-0.9 2,-0.5 -0.213 7.8-158.4 -56.8 130.1 -33.5 59.5 27.7 67 155 A I E +B 72 0B 70 5,-0.2 5,-0.2 3,-0.0 -1,-0.1 -0.939 19.8 158.8-120.4 125.2 -32.2 62.2 30.1 68 156 A S E > -B 71 0B 45 3,-2.4 3,-0.5 -2,-0.5 0, 0.0 -0.858 53.7 -88.3-135.9 168.4 -31.4 61.6 33.8 69 157 A P T 3 S+ 0 0 114 0, 0.0 3,-0.0 0, 0.0 -1,-0.0 0.791 121.9 16.8 -44.3 -43.7 -29.3 63.4 36.6 70 158 A D T 3 S+ 0 0 103 19,-0.1 20,-2.6 21,-0.0 2,-0.3 0.410 127.1 27.4-118.0 5.6 -26.1 61.5 35.9 71 159 A E E < -BC 68 89B 64 -3,-0.5 -3,-2.4 18,-0.3 2,-0.3 -0.920 51.8-149.2-157.7 170.0 -26.5 60.0 32.4 72 160 A I E -BC 67 88B 0 16,-1.1 16,-3.0 -2,-0.3 2,-0.6 -0.931 17.5-152.0-146.5 122.2 -28.2 60.4 29.0 73 161 A V E -BC 66 87B 34 -7,-2.0 -7,-1.3 -2,-0.3 2,-0.4 -0.915 10.0-158.2-105.7 113.1 -29.0 57.3 27.0 74 162 A I E -B 65 0B 1 12,-2.9 2,-0.4 -2,-0.6 -9,-0.2 -0.822 9.4-171.9 -94.5 135.6 -29.2 57.8 23.2 75 163 A K + 0 0 39 -11,-0.8 -14,-0.3 -2,-0.4 2,-0.3 -0.978 14.0 148.8-132.2 128.3 -31.1 55.4 20.9 76 164 A F E -D 84 0C 23 8,-1.7 8,-2.7 -2,-0.4 2,-0.4 -0.955 29.5-146.2-150.4 162.5 -31.3 55.1 17.1 77 165 A V E -D 83 0C 95 -2,-0.3 2,-0.6 -18,-0.3 6,-0.3 -0.975 14.0-170.7-134.7 114.3 -31.8 52.4 14.3 78 166 A G E > S-D 82 0C 4 4,-2.2 4,-1.1 -2,-0.4 -26,-0.1 -0.910 74.1 -23.5-113.8 106.8 -30.0 52.9 11.0 79 167 A K T >4 S- 0 0 87 -2,-0.6 2,-1.3 1,-0.2 3,-0.9 0.987 106.5 -80.1 57.3 62.3 -31.0 50.4 8.3 80 168 A D T 34 S+ 0 0 79 1,-0.3 -2,-0.2 -3,-0.2 3,-0.2 -0.251 129.9 51.2 53.7 -81.4 -32.3 47.7 10.7 81 169 A K T 34 S+ 0 0 92 -2,-1.3 2,-2.7 1,-0.2 -1,-0.3 0.863 94.5 71.5 -50.4 -49.9 -29.0 46.1 11.7 82 170 A V E << +D 78 0C 58 -4,-1.1 -4,-2.2 -3,-0.9 2,-0.4 -0.254 68.1 143.6 -71.4 54.6 -27.2 49.3 12.7 83 171 A S E +D 77 0C 66 -2,-2.7 2,-0.3 -6,-0.3 -6,-0.3 -0.831 21.4 167.7 -96.3 131.0 -29.4 49.8 15.9 84 172 A H E -D 76 0C 40 -8,-2.7 -8,-1.7 -2,-0.4 -2,-0.0 -0.878 29.5-167.8-138.6 172.0 -27.5 51.2 18.9 85 173 A E + 0 0 157 -2,-0.3 -10,-0.2 -10,-0.2 -8,-0.0 -0.185 23.5 174.2-158.4 52.2 -28.2 52.7 22.4 86 174 A F - 0 0 76 -13,-0.1 -12,-2.9 1,-0.1 2,-0.3 -0.085 19.0-136.8 -66.9 163.3 -25.1 54.4 23.8 87 175 A V E -C 73 0B 58 -14,-0.3 2,-0.4 -16,-0.0 -14,-0.2 -0.930 4.7-151.8-123.8 150.6 -25.0 56.4 27.0 88 176 A V E -C 72 0B 8 -16,-3.0 -16,-1.1 -2,-0.3 2,-0.2 -0.983 18.8-143.1-122.4 124.2 -23.3 59.6 28.0 89 177 A H E > -C 71 0B 107 -2,-0.4 3,-2.1 -18,-0.2 2,-0.8 -0.604 25.6-104.3 -91.0 147.3 -22.3 60.2 31.7 90 178 A K T 3 S+ 0 0 45 -20,-2.6 3,-0.1 1,-0.3 -1,-0.1 -0.636 115.5 43.7 -69.8 106.2 -22.4 63.4 33.7 91 179 A S T 3 S+ 0 0 121 -2,-0.8 -1,-0.3 1,-0.7 2,-0.2 -0.155 89.1 107.3 146.3 -32.5 -18.7 64.3 33.6 92 180 A N S < S- 0 0 88 -3,-2.1 -1,-0.7 1,-0.1 4,-0.5 -0.461 82.3-116.7 -71.2 144.6 -18.1 63.5 30.0 93 181 A R S S+ 0 0 94 1,-0.2 3,-0.2 -2,-0.2 -1,-0.1 0.842 109.5 54.2 -51.9 -37.3 -17.7 66.4 27.7 94 182 A L S > S+ 0 0 13 1,-0.2 4,-2.3 2,-0.1 5,-0.4 0.905 84.6 80.2 -68.8 -45.3 -20.9 65.6 25.7 95 183 A Y H > S+ 0 0 32 -6,-0.5 4,-0.9 -3,-0.3 -1,-0.2 0.734 97.0 40.0 -29.1 -61.8 -23.6 65.4 28.5 96 184 A K H > S+ 0 0 62 -4,-0.5 4,-2.3 -3,-0.2 -1,-0.2 0.840 117.2 45.1 -64.6 -46.4 -24.2 69.2 28.9 97 185 A P H > S+ 0 0 13 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.810 117.8 46.8 -68.7 -31.1 -24.1 70.4 25.2 98 186 A L H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.690 110.6 52.4 -80.2 -20.7 -26.3 67.4 24.4 99 187 A L H < S+ 0 0 69 -4,-0.9 -3,-0.2 -5,-0.4 -1,-0.2 0.891 112.9 44.7 -77.7 -41.3 -28.5 68.3 27.3 100 188 A K H < S+ 0 0 96 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.768 112.7 51.9 -70.6 -31.2 -28.8 71.8 25.9 101 189 A L H < S+ 0 0 11 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.878 89.0 96.2 -75.4 -36.6 -29.3 70.5 22.4 102 190 A T < - 0 0 26 -4,-1.5 2,-0.6 -5,-0.1 9,-0.0 -0.262 56.4-166.2 -58.8 129.6 -32.1 68.2 23.5 103 191 A D > - 0 0 33 3,-0.1 3,-0.8 6,-0.1 6,-0.1 -0.968 7.8-178.4-116.4 110.4 -35.7 69.7 22.9 104 192 A D T 3 S+ 0 0 147 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.530 77.1 71.3 -89.0 -4.4 -38.2 67.6 24.8 105 193 A S T 3 S+ 0 0 104 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.455 100.3 50.6 -85.1 -1.3 -41.1 69.7 23.6 106 194 A S X + 0 0 42 -3,-0.8 3,-1.8 1,-0.1 -44,-0.5 -0.398 62.1 166.1-140.0 65.8 -40.5 68.1 20.2 107 195 A P T 3 S+ 0 0 63 0, 0.0 -44,-2.0 0, 0.0 -43,-0.1 0.696 80.8 43.4 -47.9 -39.2 -40.4 64.2 20.5 108 196 A E T 3 S+ 0 0 155 -46,-0.2 2,-0.2 -47,-0.1 -2,-0.0 0.552 95.4 91.3 -91.9 -10.4 -40.7 63.6 16.8 109 197 A E S < S- 0 0 104 -3,-1.8 -47,-2.2 -6,-0.1 -46,-0.2 -0.579 85.4 -99.5 -86.5 152.2 -38.3 66.3 15.5 110 198 A F B -A 61 0A 83 -49,-0.2 3,-0.5 -2,-0.2 -49,-0.3 -0.484 16.7-135.2 -72.2 138.3 -34.6 65.4 15.0 111 199 A L S S+ 0 0 1 -51,-3.1 2,-1.4 1,-0.3 3,-0.3 0.933 108.7 43.3 -54.0 -52.9 -32.0 66.3 17.6 112 200 A F S > S+ 0 0 2 -55,-0.4 3,-0.5 -52,-0.3 -1,-0.3 -0.672 75.2 146.7 -94.2 75.8 -29.7 67.6 14.9 113 201 A N T 3 + 0 0 67 -2,-1.4 -1,-0.2 -3,-0.5 -2,-0.1 0.831 66.2 53.7 -83.7 -32.4 -32.5 69.4 13.0 114 202 A K T 3 S+ 0 0 113 -3,-0.3 2,-0.2 -4,-0.1 -1,-0.2 0.165 110.6 56.0 -88.2 20.6 -30.3 72.3 11.7 115 203 A L < + 0 0 11 -3,-0.5 2,-0.3 -57,-0.1 3,-0.1 -0.794 54.6 150.3-138.1 178.0 -27.8 69.9 10.2 116 204 A S > - 0 0 64 -2,-0.2 4,-2.2 1,-0.1 5,-0.3 -0.951 61.9 -44.9 171.9-176.5 -27.5 67.0 7.8 117 205 A E H > S+ 0 0 74 -2,-0.3 4,-1.6 1,-0.2 5,-0.3 0.839 132.3 43.1 -35.1 -57.2 -25.3 65.1 5.3 118 206 A R H > S+ 0 0 82 1,-0.2 4,-2.1 3,-0.2 5,-0.3 0.930 113.8 51.8 -59.2 -49.8 -24.1 68.3 3.6 119 207 A K H > S+ 0 0 39 2,-0.2 4,-1.3 1,-0.1 -2,-0.2 0.889 116.8 34.1 -57.4 -51.4 -23.5 70.2 6.9 120 208 A V H X S+ 0 0 12 -4,-2.2 4,-1.9 2,-0.2 3,-0.3 0.982 116.3 52.3 -71.4 -59.5 -21.4 67.7 8.8 121 209 A Y H X S+ 0 0 38 -4,-1.6 4,-2.2 -5,-0.3 5,-0.2 0.878 111.1 48.0 -43.9 -50.1 -19.4 66.2 5.9 122 210 A E H X S+ 0 0 38 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.891 107.5 56.7 -63.3 -38.5 -18.3 69.7 4.7 123 211 A C H X S+ 0 0 10 -4,-1.3 4,-0.5 -3,-0.3 3,-0.5 0.976 110.5 42.4 -55.9 -59.7 -17.2 70.8 8.1 124 212 A I H ><>S+ 0 0 20 -4,-1.9 3,-1.6 1,-0.3 5,-0.9 0.882 113.5 51.7 -56.8 -43.6 -14.9 68.0 8.7 125 213 A K H ><5S+ 0 0 118 -4,-2.2 3,-2.1 1,-0.3 -1,-0.3 0.861 100.0 62.7 -67.0 -28.8 -13.5 68.1 5.2 126 214 A Q H 3<5S+ 0 0 166 -4,-2.3 -1,-0.3 -3,-0.5 -2,-0.2 0.687 91.6 70.0 -69.3 -12.2 -12.8 71.8 5.5 127 215 A F T <<5S- 0 0 53 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.549 123.8 -99.6 -79.8 -8.3 -10.4 70.8 8.3 128 216 A G T < 5S+ 0 0 50 -3,-2.1 2,-0.4 1,-0.3 -3,-0.2 0.408 95.6 88.2 104.6 0.0 -8.0 69.3 5.8 129 217 A I < - 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