==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR/DNA 13-JAN-13 4IQW . COMPND 2 MOLECULE: DNA NUCLEOTIDYLEXOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.GOUGE,M.DELARUE . 357 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17831.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 21 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.0 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 1 0 0 1 0 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 0 1 2 1 0 1 0 0 0 1 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 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 1 149 A K 0 0 158 0, 0.0 2,-0.3 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 122.2 24.0 -2.4 -3.9 2 150 A I - 0 0 64 63,-0.3 2,-0.1 1,-0.1 7,-0.1 -0.494 360.0-129.6 -67.9 123.6 23.5 -0.1 -0.8 3 151 A S - 0 0 24 5,-0.4 -1,-0.1 -2,-0.3 5,-0.1 -0.422 7.3-131.6 -73.0 152.1 19.9 0.9 -0.5 4 152 A Q S S+ 0 0 86 -2,-0.1 2,-0.5 62,-0.1 -1,-0.1 0.570 89.8 84.3 -74.0 -13.1 18.8 4.6 -0.1 5 153 A Y S > S- 0 0 7 1,-0.1 3,-1.9 3,-0.0 -2,-0.2 -0.853 71.0-149.8 -98.5 128.5 16.7 3.3 2.9 6 154 A A G > S+ 0 0 0 -2,-0.5 3,-1.7 1,-0.3 299,-0.1 0.814 99.3 65.0 -61.7 -30.9 18.1 2.8 6.4 7 155 A C G 3 S+ 0 0 1 1,-0.3 -1,-0.3 298,-0.2 343,-0.1 0.542 102.1 49.5 -71.1 -6.5 15.5 -0.0 6.9 8 156 A Q G < S+ 0 0 87 -3,-1.9 -5,-0.4 341,-0.1 2,-0.3 0.079 105.5 74.7-113.6 18.5 17.4 -2.0 4.1 9 157 A R S < S- 0 0 9 -3,-1.7 2,-0.6 -7,-0.1 350,-0.1 -0.957 75.7-131.6-129.3 149.1 20.8 -1.4 5.7 10 158 A R - 0 0 122 -2,-0.3 2,-0.6 42,-0.2 347,-0.2 -0.915 27.1-175.9-101.2 114.4 22.6 -2.9 8.7 11 159 A T B +a 357 0A 0 345,-2.8 347,-2.3 -2,-0.6 2,-0.2 -0.932 5.4 178.3-118.3 103.8 24.0 0.0 10.8 12 160 A T - 0 0 51 -2,-0.6 344,-0.1 39,-0.3 177,-0.1 -0.465 44.4-101.8 -98.0 171.1 26.0 -1.2 13.8 13 161 A L S S+ 0 0 87 342,-0.3 2,-1.7 175,-0.2 343,-0.1 0.612 96.6 97.6 -76.4 -6.8 27.8 1.0 16.4 14 162 A N - 0 0 80 38,-0.0 2,-0.7 2,-0.0 -2,-0.2 -0.607 60.3-174.3 -81.9 86.2 31.2 0.4 14.8 15 163 A N > - 0 0 34 -2,-1.7 3,-0.5 1,-0.1 36,-0.1 -0.802 17.2-178.4 -85.7 113.9 31.3 3.6 12.7 16 164 A Y T 3 S+ 0 0 110 -2,-0.7 3,-0.2 37,-0.5 -1,-0.1 0.495 80.4 53.1 -87.3 -6.2 34.3 3.6 10.4 17 165 A N T >> + 0 0 2 33,-0.1 4,-2.8 39,-0.1 3,-0.8 -0.080 60.0 130.7-124.9 36.4 33.4 7.1 9.1 18 166 A Q H <> S+ 0 0 112 -3,-0.5 4,-2.8 1,-0.3 5,-0.3 0.791 71.2 62.8 -60.7 -32.6 33.0 9.2 12.3 19 167 A L H 3> S+ 0 0 106 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.902 114.7 32.6 -58.9 -41.8 35.3 11.9 10.8 20 168 A F H <> S+ 0 0 10 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.907 121.1 48.1 -80.6 -48.1 32.7 12.5 8.0 21 169 A T H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -3,-0.2 0.833 106.3 55.8 -70.9 -33.9 29.5 11.7 10.0 22 170 A D H X S+ 0 0 81 -4,-2.8 4,-1.7 -5,-0.2 -1,-0.2 0.933 113.0 44.2 -61.7 -40.8 30.4 13.9 13.0 23 171 A A H X S+ 0 0 6 -4,-0.8 4,-2.3 -5,-0.3 -2,-0.2 0.937 115.0 47.0 -64.7 -48.9 30.7 16.9 10.5 24 172 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.854 110.6 53.5 -63.0 -37.0 27.5 16.0 8.5 25 173 A D H X S+ 0 0 54 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.879 109.6 48.1 -64.0 -40.8 25.6 15.6 11.9 26 174 A I H X S+ 0 0 31 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.909 113.0 47.6 -65.4 -44.9 26.7 19.2 12.9 27 175 A L H X S+ 0 0 13 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.895 113.1 48.6 -65.2 -38.7 25.7 20.6 9.5 28 176 A A H X S+ 0 0 3 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.908 111.3 50.1 -65.3 -43.8 22.3 18.8 9.7 29 177 A E H X S+ 0 0 96 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.884 109.9 50.6 -62.1 -41.9 21.8 20.1 13.3 30 178 A N H X S+ 0 0 22 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.896 108.2 52.1 -63.0 -41.6 22.6 23.7 12.2 31 179 A D H <>S+ 0 0 20 -4,-1.9 5,-3.0 2,-0.2 -1,-0.2 0.800 108.4 52.2 -65.7 -28.6 20.1 23.4 9.3 32 180 A E H ><5S+ 0 0 102 -4,-1.5 3,-1.3 3,-0.2 -2,-0.2 0.937 111.5 45.7 -70.3 -45.0 17.5 22.3 12.0 33 181 A L H 3<5S+ 0 0 14 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.854 112.4 50.4 -63.8 -38.3 18.3 25.4 14.1 34 182 A R T 3<5S- 0 0 120 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.319 115.6-118.4 -83.8 6.1 18.1 27.6 10.9 35 183 A E T < 5 + 0 0 91 -3,-1.3 2,-1.2 1,-0.2 -3,-0.2 0.706 68.4 142.6 61.4 26.4 14.7 26.0 10.1 36 184 A N >< + 0 0 80 -5,-3.0 4,-2.1 1,-0.2 -1,-0.2 -0.685 19.6 171.2 -97.0 79.5 16.1 24.6 6.8 37 185 A E H > S+ 0 0 78 -2,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.829 72.1 53.4 -58.5 -39.1 14.3 21.2 6.8 38 186 A G H > S+ 0 0 51 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.925 112.3 40.9 -65.8 -50.0 15.4 20.3 3.2 39 187 A S H > S+ 0 0 40 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.878 114.4 55.4 -67.3 -36.3 19.2 20.8 3.7 40 188 A C H X S+ 0 0 11 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.930 107.9 48.5 -57.9 -50.4 18.8 19.1 7.1 41 189 A L H X S+ 0 0 61 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.885 109.5 52.0 -60.1 -43.8 17.2 16.0 5.5 42 190 A A H X S+ 0 0 52 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.900 112.8 44.2 -62.4 -42.8 20.0 15.8 2.8 43 191 A F H X S+ 0 0 15 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.868 112.5 52.9 -70.4 -36.9 22.8 15.9 5.4 44 192 A M H X S+ 0 0 44 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.896 110.6 46.3 -63.9 -41.1 20.9 13.4 7.7 45 193 A R H X S+ 0 0 49 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.876 114.3 48.1 -70.0 -38.0 20.5 10.8 4.9 46 194 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.920 113.3 47.1 -66.9 -47.0 24.2 11.2 3.8 47 195 A S H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.928 112.1 52.3 -59.7 -45.6 25.4 10.8 7.4 48 196 A S H X S+ 0 0 0 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.906 108.7 47.9 -56.8 -49.7 23.1 7.8 7.8 49 197 A V H >X S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 4,-0.5 0.910 111.4 50.5 -64.8 -39.3 24.4 5.9 4.7 50 198 A L H >< S+ 0 0 0 -4,-2.0 3,-1.1 1,-0.3 -34,-0.3 0.864 103.2 60.3 -66.7 -33.2 28.1 6.5 5.7 51 199 A K H 3< S+ 0 0 48 -4,-2.0 -1,-0.3 1,-0.2 -39,-0.3 0.778 102.3 55.0 -60.9 -29.1 27.3 5.1 9.2 52 200 A S H << S+ 0 0 23 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.2 0.627 81.7 112.6 -79.7 -18.4 26.3 1.8 7.5 53 201 A L << - 0 0 4 -3,-1.1 -37,-0.5 -4,-0.5 -36,-0.1 -0.288 61.0-147.5 -61.6 138.9 29.6 1.3 5.6 54 202 A P S S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.316 82.7 39.3 -86.8 8.4 31.8 -1.6 6.7 55 203 A F S S- 0 0 75 -38,-0.0 2,-0.3 0, 0.0 -39,-0.1 -0.983 90.3 -98.6-149.7 157.0 35.0 0.4 5.9 56 204 A P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 -39,-0.1 -0.617 36.0-116.3 -82.7 140.4 36.3 4.0 6.2 57 205 A I + 0 0 6 -2,-0.3 3,-0.1 1,-0.2 -37,-0.1 -0.575 42.1 164.5 -67.5 125.8 36.2 6.4 3.1 58 206 A T + 0 0 103 1,-0.3 2,-0.3 -2,-0.3 -1,-0.2 0.461 63.1 18.8-124.1 -6.4 39.9 7.2 2.3 59 207 A S S > S- 0 0 40 1,-0.1 3,-0.9 0, 0.0 -1,-0.3 -0.962 80.6-106.7-155.0 162.3 39.4 8.6 -1.3 60 208 A M G > S+ 0 0 60 -2,-0.3 3,-2.1 1,-0.2 4,-0.3 0.837 115.7 67.2 -64.7 -29.7 36.6 10.1 -3.4 61 209 A K G > S+ 0 0 96 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.838 89.1 66.3 -56.5 -36.1 36.6 6.9 -5.5 62 210 A D G < S+ 0 0 51 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.624 91.7 62.5 -62.4 -14.8 35.3 5.1 -2.3 63 211 A T G X S+ 0 0 6 -3,-2.1 3,-2.0 -4,-0.2 -1,-0.3 0.591 75.1 121.2 -88.0 -8.7 32.0 7.1 -2.6 64 212 A E T < S+ 0 0 78 -3,-1.8 -3,-0.0 -4,-0.3 0, 0.0 -0.285 81.4 10.0 -58.5 129.2 31.1 5.6 -6.0 65 213 A G T 3 S+ 0 0 77 1,-0.3 -63,-0.3 -64,-0.0 -1,-0.3 0.305 93.3 127.9 83.7 -7.5 27.8 3.8 -6.0 66 214 A I < - 0 0 14 -3,-2.0 3,-0.5 -65,-0.1 -1,-0.3 -0.696 52.4-140.5 -81.6 123.9 26.8 5.1 -2.5 67 215 A P S S+ 0 0 33 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.261 76.4 40.6 -77.5 172.9 23.3 6.7 -2.6 68 216 A C S S+ 0 0 39 1,-0.1 2,-0.6 -19,-0.1 -19,-0.1 0.694 80.3 121.2 64.3 21.5 22.2 9.9 -0.8 69 217 A L + 0 0 15 -3,-0.5 -1,-0.1 -6,-0.1 -26,-0.1 -0.783 40.2 179.7-116.9 85.8 25.6 11.7 -1.6 70 218 A G > - 0 0 43 -2,-0.6 4,-2.5 -28,-0.1 5,-0.2 -0.139 46.3 -90.4 -73.2 177.1 24.8 14.8 -3.5 71 219 A D H > S+ 0 0 144 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.878 126.3 52.0 -59.7 -41.2 27.4 17.3 -4.8 72 220 A K H > S+ 0 0 105 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.935 112.9 45.7 -61.5 -46.5 27.3 19.5 -1.6 73 221 A V H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.905 110.2 53.6 -63.1 -42.9 27.9 16.4 0.5 74 222 A K H X S+ 0 0 66 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.850 105.6 54.1 -64.2 -32.1 30.7 15.2 -1.7 75 223 A S H X S+ 0 0 55 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.869 108.7 49.2 -68.0 -35.4 32.5 18.6 -1.4 76 224 A I H X S+ 0 0 4 -4,-1.4 4,-1.5 -3,-0.2 -2,-0.2 0.932 112.2 47.3 -69.1 -43.3 32.3 18.2 2.4 77 225 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 3,-0.2 0.913 110.9 53.4 -61.2 -43.9 33.8 14.6 2.2 78 226 A E H X S+ 0 0 97 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.900 108.2 49.5 -56.9 -46.4 36.5 15.9 -0.2 79 227 A G H X S+ 0 0 14 -4,-2.0 4,-1.9 2,-0.2 6,-0.5 0.785 110.3 49.5 -64.5 -33.8 37.6 18.6 2.2 80 228 A I H X S+ 0 0 2 -4,-1.5 4,-2.5 -3,-0.2 -2,-0.2 0.893 109.7 51.8 -73.2 -41.3 37.8 16.1 5.2 81 229 A I H < S+ 0 0 61 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.900 114.2 45.7 -59.4 -41.8 39.9 13.7 3.1 82 230 A E H < S+ 0 0 150 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.933 132.1 12.4 -65.6 -53.8 42.3 16.7 2.2 83 231 A D H < S- 0 0 112 -4,-1.9 -2,-0.2 2,-0.4 -3,-0.2 0.357 95.0-115.2-105.2 -16.2 42.8 18.3 5.7 84 232 A G S < S+ 0 0 38 -4,-2.5 2,-0.3 -5,-0.2 -4,-0.2 0.475 91.3 67.7 82.2 2.2 41.4 15.7 8.2 85 233 A E S S- 0 0 125 -6,-0.5 2,-0.6 -5,-0.1 -2,-0.4 -0.970 82.3-114.2-148.1 161.7 38.6 18.2 9.2 86 234 A S > - 0 0 9 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 -0.909 14.3-164.8-100.1 115.5 35.5 19.9 7.8 87 235 A S H > S+ 0 0 79 -2,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.863 93.6 54.1 -63.8 -36.6 36.0 23.7 7.5 88 236 A E H > S+ 0 0 65 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.908 111.5 42.3 -62.4 -48.3 32.1 24.0 7.1 89 237 A A H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.848 112.0 55.8 -70.6 -33.1 31.4 22.1 10.4 90 238 A K H X S+ 0 0 45 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.903 106.4 50.8 -63.8 -39.9 34.2 24.0 12.2 91 239 A A H X S+ 0 0 64 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.854 109.6 50.4 -67.2 -35.4 32.5 27.3 11.2 92 240 A V H >< S+ 0 0 12 -4,-1.4 3,-1.0 1,-0.2 7,-0.2 0.927 107.8 53.2 -67.6 -42.9 29.2 26.0 12.6 93 241 A L H 3< S+ 0 0 83 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.747 113.5 43.6 -63.1 -25.4 31.0 25.0 15.9 94 242 A N H 3< S+ 0 0 108 -4,-1.1 -1,-0.3 -3,-0.1 -2,-0.2 0.494 88.5 113.0 -97.6 -7.0 32.3 28.6 16.2 95 243 A D S+ 0 0 97 2,-0.2 4,-2.1 -2,-0.2 5,-0.1 0.875 98.3 49.3 -67.7 -39.1 27.4 32.2 18.1 97 245 A R H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.930 113.7 46.6 -65.3 -44.5 23.8 31.3 17.2 98 246 A Y H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.924 112.7 49.3 -62.7 -48.9 24.6 27.6 16.9 99 247 A K H X S+ 0 0 86 -4,-2.5 4,-2.2 -7,-0.2 -1,-0.2 0.882 113.3 47.4 -57.0 -43.6 26.6 27.6 20.2 100 248 A S H X S+ 0 0 4 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.903 111.9 49.3 -65.1 -43.8 23.7 29.4 22.0 101 249 A F H X S+ 0 0 9 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.904 113.1 47.1 -65.7 -39.8 21.1 27.0 20.6 102 250 A K H X S+ 0 0 49 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.934 116.5 44.3 -64.0 -47.2 23.1 23.9 21.6 103 251 A L H < S+ 0 0 61 -4,-2.2 3,-0.4 -5,-0.2 -2,-0.2 0.918 116.8 43.8 -65.3 -46.8 23.8 25.3 25.1 104 252 A F H >< S+ 0 0 0 -4,-3.0 3,-1.6 1,-0.2 -2,-0.2 0.921 112.6 50.3 -70.6 -43.7 20.2 26.5 25.8 105 253 A T H 3< S+ 0 0 63 -4,-2.3 5,-0.2 1,-0.3 -1,-0.2 0.640 93.1 77.0 -70.4 -11.4 18.4 23.3 24.4 106 254 A S T 3< S+ 0 0 47 -4,-0.8 2,-0.4 -3,-0.4 -1,-0.3 0.648 81.1 87.7 -71.5 -10.7 20.8 21.2 26.6 107 255 A V S X S- 0 0 2 -3,-1.6 3,-1.8 -4,-0.2 2,-0.2 -0.763 93.2-114.3 -87.8 129.6 18.4 22.3 29.5 108 256 A F T 3 S+ 0 0 33 -2,-0.4 36,-0.5 36,-0.3 37,-0.2 -0.474 104.3 28.3 -64.7 125.8 15.4 20.1 30.0 109 257 A G T 3 S+ 0 0 22 -2,-0.2 2,-0.6 1,-0.2 32,-0.3 0.370 95.1 111.2 102.2 -2.2 12.3 22.1 29.1 110 258 A V < + 0 0 10 -3,-1.8 -1,-0.2 -5,-0.2 2,-0.1 -0.941 39.5 169.1-112.3 118.2 14.1 24.4 26.6 111 259 A G > - 0 0 36 -2,-0.6 4,-2.4 -3,-0.1 5,-0.2 -0.391 52.6 -74.3-110.2-172.9 13.2 24.1 22.9 112 260 A L H > S+ 0 0 74 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.838 126.0 50.9 -55.2 -43.3 14.0 26.1 19.7 113 261 A K H > S+ 0 0 128 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.918 113.9 42.2 -64.9 -47.6 11.5 28.9 20.5 114 262 A T H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.909 114.6 51.7 -67.3 -40.8 12.8 29.6 24.1 115 263 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.904 112.2 46.7 -60.7 -42.6 16.4 29.3 22.9 116 264 A E H X S+ 0 0 79 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.899 111.2 52.2 -64.4 -43.9 15.8 31.8 20.1 117 265 A K H X S+ 0 0 73 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.928 112.2 44.4 -57.5 -51.0 14.0 34.2 22.6 118 266 A W H <>S+ 0 0 5 -4,-2.6 5,-2.3 1,-0.2 3,-0.4 0.875 111.8 53.1 -65.2 -39.5 16.9 34.1 25.0 119 267 A F H ><5S+ 0 0 37 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.920 109.4 48.4 -60.0 -45.6 19.5 34.6 22.2 120 268 A R H 3<5S+ 0 0 129 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.644 105.5 59.5 -73.1 -12.2 17.6 37.7 20.9 121 269 A M T 3<5S- 0 0 104 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.563 124.6-106.3 -87.8 -9.4 17.5 39.0 24.5 122 270 A G T < 5 + 0 0 51 -3,-1.5 2,-0.2 -4,-0.4 -3,-0.2 0.509 69.6 146.8 97.1 8.2 21.3 38.9 24.5 123 271 A F < + 0 0 27 -5,-2.3 -1,-0.3 1,-0.1 -2,-0.1 -0.556 12.6 160.7 -77.4 141.5 21.9 35.9 26.7 124 272 A R + 0 0 98 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.455 58.5 53.6-134.5 -15.7 24.9 33.6 25.9 125 273 A T > - 0 0 63 1,-0.1 4,-1.4 -22,-0.0 -1,-0.2 -0.948 69.2-133.7-129.2 151.5 25.4 31.7 29.2 126 274 A L H > S+ 0 0 18 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.833 107.1 61.4 -69.4 -31.5 23.2 29.5 31.4 127 275 A S H > S+ 0 0 84 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.892 106.2 45.3 -59.8 -44.1 24.6 31.3 34.5 128 276 A K H > S+ 0 0 139 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.830 113.8 50.1 -72.6 -32.3 23.1 34.7 33.2 129 277 A I H >< S+ 0 0 0 -4,-1.4 3,-1.1 2,-0.2 -2,-0.2 0.979 112.9 45.0 -68.0 -53.7 19.8 33.0 32.3 130 278 A Q H 3< S+ 0 0 96 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.773 115.5 46.3 -57.9 -39.8 19.4 31.3 35.8 131 279 A S H 3< S+ 0 0 63 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.476 83.0 116.4 -87.9 -3.9 20.3 34.4 37.8 132 280 A D << - 0 0 56 -3,-1.1 -3,-0.0 -4,-0.5 -4,-0.0 -0.444 53.1-156.6 -67.2 132.7 18.1 36.8 35.8 133 281 A K S S+ 0 0 189 -2,-0.2 -1,-0.1 1,-0.1 -4,-0.0 0.600 87.2 50.8 -89.3 -7.5 15.4 38.3 38.1 134 282 A S S S+ 0 0 110 2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.734 85.9 98.1-100.1 -27.5 13.0 39.2 35.2 135 283 A L - 0 0 28 -6,-0.2 2,-0.4 1,-0.0 0, 0.0 -0.341 60.8-148.6 -65.7 143.3 12.9 35.9 33.3 136 284 A R - 0 0 93 -2,-0.0 2,-0.4 0, 0.0 -2,-0.0 -0.950 13.3-156.8-116.6 127.6 10.0 33.5 34.0 137 285 A F - 0 0 44 -2,-0.4 2,-0.0 2,-0.0 0, 0.0 -0.876 14.6-122.4-111.0 144.7 10.6 29.7 33.8 138 286 A T > - 0 0 75 -2,-0.4 4,-2.2 -29,-0.1 5,-0.1 -0.295 35.1-108.1 -71.8 161.9 8.2 26.8 33.1 139 287 A Q H > S+ 0 0 136 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.879 123.2 55.4 -61.8 -33.2 8.1 24.0 35.8 140 288 A M H > S+ 0 0 64 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.920 109.0 46.4 -61.9 -46.3 10.0 21.8 33.2 141 289 A Q H > S+ 0 0 9 -32,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.867 107.6 56.2 -66.9 -39.9 12.8 24.4 32.9 142 290 A K H X S+ 0 0 104 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.934 112.3 42.7 -57.6 -46.1 13.0 24.9 36.7 143 291 A A H X S+ 0 0 8 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.888 111.3 56.7 -64.9 -40.4 13.7 21.0 36.9 144 292 A G H < S+ 0 0 0 -4,-2.3 -36,-0.3 -36,-0.5 -2,-0.2 0.872 113.8 38.5 -58.5 -40.8 16.0 21.3 33.9 145 293 A F H >< S+ 0 0 19 -4,-2.5 3,-0.9 2,-0.2 4,-0.3 0.873 113.9 54.0 -76.5 -42.0 18.1 23.9 35.7 146 294 A L H 3< S+ 0 0 127 -4,-2.5 -2,-0.2 1,-0.2 3,-0.2 0.852 123.3 27.2 -61.4 -40.4 17.9 22.3 39.2 147 295 A Y T 3X S+ 0 0 40 -4,-2.3 4,-2.4 1,-0.1 -1,-0.2 0.051 85.9 124.7-111.2 21.4 19.2 18.9 38.0 148 296 A Y H <> S+ 0 0 37 -3,-0.9 4,-2.1 1,-0.2 5,-0.2 0.846 70.5 50.1 -49.9 -52.6 21.3 20.2 35.0 149 297 A E H > S+ 0 0 139 -4,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.906 115.0 44.1 -60.8 -40.7 24.7 18.6 35.9 150 298 A D H 4 S+ 0 0 25 -3,-0.2 3,-0.3 1,-0.2 -2,-0.2 0.903 115.5 47.2 -69.0 -44.4 23.1 15.1 36.4 151 299 A L H < S+ 0 0 23 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.770 110.6 52.0 -70.1 -26.9 20.9 15.4 33.2 152 300 A V H < S+ 0 0 65 -4,-2.1 2,-0.3 -5,-0.2 -1,-0.2 0.739 94.7 86.3 -83.6 -20.7 23.9 16.6 31.1 153 301 A S S < S- 0 0 58 -4,-1.1 2,-0.1 -3,-0.3 0, 0.0 -0.569 95.2-102.9 -73.7 136.7 26.1 13.6 32.3 154 302 A C - 0 0 64 -2,-0.3 2,-0.4 1,-0.1 40,-0.2 -0.391 25.8-126.5 -62.0 136.2 25.5 10.5 30.2 155 303 A V E -B 193 0B 5 38,-2.8 38,-1.4 -4,-0.1 2,-0.1 -0.716 32.3-154.0 -75.6 126.3 23.3 7.7 31.6 156 304 A N E > -B 192 0B 55 -2,-0.4 4,-2.5 36,-0.2 36,-0.2 -0.453 27.4 -98.5 -98.6 177.1 25.4 4.5 31.4 157 305 A R H > S+ 0 0 103 34,-0.7 4,-2.9 2,-0.2 5,-0.2 0.931 121.7 54.0 -67.6 -44.2 24.1 0.9 31.2 158 306 A P H > S+ 0 0 32 0, 0.0 4,-1.8 0, 0.0 110,-0.3 0.909 113.6 44.8 -54.9 -39.0 24.5 0.1 35.0 159 307 A E H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.930 112.6 50.3 -67.3 -45.5 22.3 3.2 35.7 160 308 A A H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.869 112.2 48.3 -58.6 -40.8 19.8 2.2 32.9 161 309 A E H X S+ 0 0 104 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.867 109.4 52.0 -68.2 -36.8 19.6 -1.3 34.4 162 310 A A H X S+ 0 0 6 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.918 111.7 47.0 -65.7 -41.1 19.1 0.2 37.9 163 311 A V H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.923 108.3 56.1 -64.2 -44.8 16.2 2.4 36.5 164 312 A S H X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.877 106.4 50.9 -53.8 -41.9 14.8 -0.8 34.7 165 313 A M H X S+ 0 0 86 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.913 110.9 48.0 -61.7 -46.0 14.6 -2.6 38.1 166 314 A L H X S+ 0 0 10 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.920 113.5 47.4 -60.4 -48.1 12.8 0.4 39.7 167 315 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.942 114.4 45.8 -59.8 -52.7 10.3 0.6 36.7 168 316 A K H X S+ 0 0 78 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.909 112.8 50.4 -59.2 -47.1 9.6 -3.2 36.8 169 317 A E H X S+ 0 0 108 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.869 115.8 42.7 -57.9 -43.4 9.2 -3.3 40.6 170 318 A A H X S+ 0 0 0 -4,-2.1 4,-0.6 -5,-0.2 3,-0.5 0.939 115.9 47.1 -70.0 -48.9 6.7 -0.4 40.5 171 319 A V H >X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 3,-1.4 0.919 110.1 50.7 -61.0 -50.8 4.7 -1.6 37.5 172 320 A V H 3< S+ 0 0 69 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.715 98.6 70.0 -64.8 -19.8 4.3 -5.3 38.7 173 321 A T H 3< S+ 0 0 89 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.844 117.7 20.6 -63.8 -34.6 3.0 -3.9 42.1 174 322 A F H << S+ 0 0 66 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.2 0.768 141.3 26.9-106.1 -34.2 -0.2 -2.7 40.2 175 323 A L >< - 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