==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/DNA 12-MAY-04 1T8I . COMPND 2 MOLECULE: 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.L.STAKER,M.D.FEESE,M.CUSHMAN,Y.POMMIER,D.ZEMBOWER, . 565 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32918.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 381 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 34 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 3 1 1 0 2 3 0 1 2 0 1 0 2 0 0 0 1 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 PARALLEL BRIDGES PER LADDER . 4 3 1 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 3 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 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 1 201 A Q 0 0 161 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -76.4 51.1 -8.0 37.3 2 202 A K - 0 0 88 1,-0.1 2,-0.7 2,-0.0 0, 0.0 0.887 360.0-118.3 66.4 107.5 48.5 -6.2 35.1 3 203 A W - 0 0 75 1,-0.1 2,-1.8 2,-0.0 3,-0.1 -0.628 14.5-147.8 -76.7 114.5 49.2 -5.8 31.4 4 204 A K > + 0 0 87 -2,-0.7 3,-1.3 1,-0.2 4,-0.3 -0.589 26.3 169.8 -83.1 81.2 49.4 -2.2 30.3 5 205 A W G > + 0 0 9 -2,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.648 68.8 69.4 -64.8 -24.4 48.1 -2.7 26.8 6 206 A W G 3 S+ 0 0 30 1,-0.2 -1,-0.2 -3,-0.1 4,-0.1 0.511 93.1 58.7 -71.9 -9.1 47.8 1.1 26.2 7 207 A E G < S+ 0 0 125 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.565 92.4 94.1 -94.7 -11.9 51.6 1.2 26.2 8 208 A E S < S- 0 0 118 -3,-0.8 2,-0.3 -4,-0.3 3,-0.1 -0.307 89.5 -91.8 -80.0 162.8 51.6 -1.2 23.2 9 209 A E - 0 0 173 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.604 56.9 -90.8 -78.2 128.1 51.7 -0.4 19.5 10 210 A R - 0 0 128 -2,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.029 44.8-103.1 -41.2 130.9 48.3 -0.0 18.0 11 211 A Y - 0 0 46 1,-0.1 -1,-0.1 -3,-0.1 3,-0.1 -0.530 48.1-101.5 -62.8 114.7 46.9 -3.3 16.5 12 212 A P - 0 0 99 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 -0.125 51.0 -87.6 -44.4 123.2 47.3 -2.9 12.6 13 213 A E S S+ 0 0 198 1,-0.2 2,-0.8 -3,-0.1 3,-0.1 0.029 106.0 17.6 -38.5 130.4 44.0 -2.0 10.9 14 214 A G S S+ 0 0 29 1,-0.2 -1,-0.2 -3,-0.1 2,-0.1 -0.653 102.9 84.9 107.1 -72.6 41.7 -4.9 9.9 15 215 A I - 0 0 65 -2,-0.8 194,-0.2 -3,-0.5 -1,-0.2 -0.352 47.9-177.3 -66.9 138.8 43.1 -7.8 12.0 16 216 A K + 0 0 60 192,-2.1 2,-0.3 1,-0.4 -1,-0.1 0.648 66.8 1.4-106.5 -31.3 41.7 -8.0 15.6 17 217 A W - 0 0 5 191,-0.7 -1,-0.4 1,-0.1 3,-0.1 -0.989 39.7-155.2-158.3 158.3 43.8 -11.0 16.7 18 218 A K S S+ 0 0 136 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.714 91.3 22.4-101.3 -35.2 46.5 -13.5 15.7 19 219 A F + 0 0 62 168,-0.1 125,-2.3 169,-0.1 2,-0.3 -0.997 61.9 175.3-140.2 135.3 45.4 -16.2 18.2 20 220 A L E +A 143 0A 0 -2,-0.3 167,-1.7 123,-0.2 2,-0.4 -0.942 4.8 168.3-144.9 117.4 42.1 -16.9 20.0 21 221 A E E +A 142 0A 62 121,-2.1 121,-2.7 -2,-0.3 2,-0.3 -0.979 8.0 159.5-129.9 140.3 41.3 -19.9 22.3 22 222 A H - 0 0 10 169,-0.5 119,-0.1 -2,-0.4 116,-0.1 -0.952 47.7-120.8-161.0 147.8 38.3 -20.3 24.6 23 223 A K - 0 0 113 117,-0.4 115,-0.1 114,-0.3 118,-0.1 0.524 61.1-127.1 -67.1 -2.7 36.2 -23.0 26.5 24 224 A G - 0 0 4 114,-0.1 -1,-0.2 169,-0.1 2,-0.2 -0.364 42.0 -31.9 88.9-173.2 33.1 -21.9 24.6 25 225 A P - 0 0 6 0, 0.0 2,-0.5 0, 0.0 129,-0.2 -0.501 49.7-129.1 -85.4 149.9 29.6 -20.9 25.8 26 226 A V B -c 154 0B 25 127,-2.6 129,-2.7 -2,-0.2 2,-0.1 -0.889 29.9-132.0 -96.2 131.2 27.8 -22.2 29.0 27 227 A F - 0 0 48 -2,-0.5 151,-0.1 127,-0.2 129,-0.0 -0.338 26.0 -92.1 -84.1 158.2 24.3 -23.4 28.2 28 228 A A - 0 0 15 149,-0.3 -1,-0.1 128,-0.2 128,-0.1 -0.577 54.9 -94.2 -69.3 131.6 21.2 -22.5 30.1 29 229 A P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.170 48.9-100.3 -48.8 130.4 20.3 -25.0 32.9 30 230 A P - 0 0 95 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.021 42.1 -92.6 -54.6 155.5 17.9 -27.8 31.9 31 231 A Y - 0 0 52 1,-0.0 24,-0.0 20,-0.0 0, 0.0 -0.625 29.0-154.9 -77.2 130.4 14.2 -27.7 32.8 32 232 A E - 0 0 144 -2,-0.4 -1,-0.0 23,-0.0 0, 0.0 -0.906 23.9-133.1-103.4 106.0 13.1 -29.4 36.0 33 233 A P - 0 0 68 0, 0.0 -1,-0.0 0, 0.0 22,-0.0 0.057 29.2 -84.7 -57.8 169.6 9.4 -30.3 35.6 34 234 A L - 0 0 29 1,-0.1 71,-0.0 4,-0.1 20,-0.0 -0.465 43.0-113.2 -78.7 146.0 6.8 -29.7 38.3 35 235 A P > - 0 0 43 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.017 33.7 -95.2 -68.9 179.0 6.1 -32.0 41.3 36 236 A E T 3 S+ 0 0 156 1,-0.2 -2,-0.1 3,-0.0 0, 0.0 0.904 120.3 54.4 -61.8 -43.7 2.9 -34.1 42.0 37 237 A N T 3 S+ 0 0 83 1,-0.2 2,-0.8 2,-0.0 -1,-0.2 0.436 91.5 79.1 -73.4 -5.8 1.3 -31.5 44.3 38 238 A V < + 0 0 12 -3,-0.8 2,-0.3 69,-0.0 -1,-0.2 -0.805 68.5 178.9-108.9 87.8 1.5 -28.6 41.7 39 239 A K - 0 0 84 -2,-0.8 2,-0.4 9,-0.0 65,-0.3 -0.637 21.3-142.6 -94.3 146.8 -1.4 -29.3 39.3 40 240 A F E -D 47 0C 9 7,-0.5 7,-2.5 -2,-0.3 2,-0.4 -0.891 16.7-153.6-107.4 141.2 -2.5 -27.3 36.3 41 241 A Y E -DE 46 101C 58 60,-1.5 60,-3.6 -2,-0.4 2,-0.4 -0.918 13.5-175.8-122.3 138.8 -6.2 -26.9 35.4 42 242 A Y E > S-DE 45 100C 10 3,-1.4 3,-1.2 -2,-0.4 58,-0.2 -0.999 81.9 -5.8-129.5 133.0 -8.0 -26.3 32.2 43 243 A D T 3 S- 0 0 90 56,-2.3 57,-0.1 -2,-0.4 3,-0.1 0.690 128.0 -65.8 56.5 18.8 -11.8 -25.7 32.1 44 244 A G T 3 S+ 0 0 64 55,-0.4 2,-0.4 1,-0.2 -1,-0.3 -0.088 117.6 100.4 97.3 -30.9 -11.7 -26.5 35.8 45 245 A K E < S-D 42 0C 158 -3,-1.2 -3,-1.4 1,-0.1 -1,-0.2 -0.771 83.0 -90.5 -95.2 133.3 -10.6 -30.1 35.4 46 246 A V E -D 41 0C 98 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 0.060 39.3-162.6 -45.2 134.7 -7.0 -31.4 35.8 47 247 A M E -D 40 0C 28 -7,-2.5 2,-0.7 2,-0.0 -7,-0.5 -0.979 16.1-136.1-129.3 129.7 -4.6 -31.5 32.8 48 248 A K - 0 0 167 -2,-0.4 2,-0.7 -9,-0.1 -9,-0.0 -0.732 23.4-151.4 -85.2 109.9 -1.3 -33.3 32.3 49 249 A L - 0 0 14 -2,-0.7 5,-0.1 4,-0.1 37,-0.0 -0.775 11.4-130.2 -93.1 115.9 1.2 -31.0 30.7 50 250 A S > - 0 0 17 -2,-0.7 4,-3.2 1,-0.1 3,-0.3 -0.257 31.5-104.1 -60.3 139.1 3.9 -32.6 28.6 51 251 A P H > S+ 0 0 80 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.751 120.6 50.9 -31.7 -42.8 7.5 -31.5 29.4 52 252 A K H > S+ 0 0 135 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.978 119.3 34.1 -64.6 -56.2 7.6 -29.3 26.2 53 253 A A H > S+ 0 0 0 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.796 109.9 64.6 -70.7 -34.3 4.3 -27.5 26.9 54 254 A E H X S+ 0 0 22 -4,-3.2 4,-1.0 1,-0.2 -1,-0.2 0.872 103.4 49.2 -58.7 -37.4 4.7 -27.5 30.7 55 255 A E H >X S+ 0 0 31 -4,-1.3 4,-1.9 -3,-0.3 3,-0.9 0.937 108.0 49.6 -69.5 -48.8 7.7 -25.2 30.4 56 256 A V H 3X S+ 0 0 7 -4,-1.2 4,-0.8 1,-0.3 -1,-0.2 0.875 110.9 54.9 -59.6 -31.3 6.1 -22.7 28.1 57 257 A A H 3X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.3 0.751 103.3 54.1 -73.1 -26.7 3.3 -22.7 30.7 58 258 A T H X S+ 0 0 6 -4,-0.8 3,-1.9 2,-0.2 4,-0.9 0.929 111.1 56.4 -81.9 -45.1 3.6 -17.3 31.9 61 261 A A H >< S+ 0 0 0 -4,-1.8 3,-1.1 1,-0.3 4,-0.3 0.892 104.3 52.7 -53.6 -46.2 2.8 -18.5 35.4 62 262 A K T 3< S+ 0 0 113 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.570 112.4 46.7 -67.5 -12.2 5.9 -16.7 36.8 63 263 A M T X4 S+ 0 0 30 -3,-1.9 3,-3.1 -5,-0.3 6,-0.3 0.528 77.1 103.5-107.2 -9.4 4.7 -13.5 35.2 64 264 A L T << S+ 0 0 65 -3,-1.1 -2,-0.1 -4,-0.9 -1,-0.1 0.738 75.1 65.1 -41.9 -31.6 1.0 -13.7 36.3 65 265 A D T 3 S+ 0 0 124 -4,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.719 86.7 87.8 -66.4 -27.5 1.9 -11.0 38.9 66 266 A H S X S- 0 0 101 -3,-3.1 3,-0.8 1,-0.1 -3,-0.0 -0.478 79.0-132.0 -79.2 147.7 2.7 -8.4 36.2 67 267 A E G > S+ 0 0 163 1,-0.2 3,-0.9 -2,-0.2 -1,-0.1 0.661 99.9 69.2 -69.8 -23.0 0.0 -6.1 34.7 68 268 A Y G > S+ 0 0 35 1,-0.2 3,-2.1 2,-0.2 -1,-0.2 0.667 75.3 79.5 -74.2 -17.9 1.2 -6.9 31.1 69 269 A T G < S+ 0 0 5 -3,-0.8 -1,-0.2 -6,-0.3 -2,-0.1 0.509 92.7 56.9 -66.7 -0.4 -0.0 -10.5 31.2 70 270 A T G < S+ 0 0 90 -3,-0.9 -1,-0.3 4,-0.0 2,-0.2 0.385 80.2 110.4-110.0 0.9 -3.4 -8.9 30.5 71 271 A K S <> S- 0 0 105 -3,-2.1 4,-2.2 1,-0.1 5,-0.2 -0.550 70.9-127.8 -77.9 143.1 -2.5 -7.0 27.3 72 272 A E H > S+ 0 0 154 2,-0.2 4,-2.9 -2,-0.2 3,-0.2 0.962 106.6 44.9 -50.4 -63.1 -4.0 -8.2 24.0 73 273 A I H > S+ 0 0 53 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.871 112.4 53.4 -52.2 -44.1 -0.8 -8.6 22.0 74 274 A F H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.914 115.4 38.7 -58.3 -51.2 1.0 -10.3 24.9 75 275 A R H X S+ 0 0 70 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.824 116.1 52.7 -71.8 -30.4 -1.7 -12.9 25.2 76 276 A K H X S+ 0 0 129 -4,-2.9 4,-1.7 -5,-0.2 -2,-0.2 0.962 114.8 39.7 -70.1 -51.4 -2.2 -13.2 21.5 77 277 A N H X S+ 0 0 24 -4,-3.1 4,-2.1 93,-0.4 96,-0.2 0.902 116.2 53.8 -66.1 -38.5 1.5 -13.8 20.7 78 278 A F H X S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.4 3,-0.2 0.960 108.3 45.6 -58.8 -62.6 1.9 -16.0 23.8 79 279 A F H X S+ 0 0 31 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.837 112.2 53.1 -51.1 -37.7 -0.9 -18.4 23.1 80 280 A K H X S+ 0 0 115 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.923 111.0 45.6 -65.5 -44.1 0.2 -18.8 19.5 81 281 A D H X S+ 0 0 13 -4,-2.1 4,-0.9 -3,-0.2 -1,-0.2 0.669 111.3 53.1 -73.6 -19.1 3.7 -19.7 20.5 82 282 A W H < S+ 0 0 0 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.891 101.1 60.9 -81.9 -38.8 2.5 -22.1 23.2 83 283 A R H >< S+ 0 0 74 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.869 101.7 52.9 -53.3 -44.6 0.3 -23.9 20.6 84 284 A K H 3< S+ 0 0 111 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.937 106.5 51.7 -59.8 -46.4 3.3 -24.9 18.6 85 285 A E T 3< S+ 0 0 68 -4,-0.9 2,-0.3 -33,-0.1 -1,-0.3 0.160 97.4 96.8 -82.3 23.3 5.1 -26.4 21.6 86 286 A M S < S- 0 0 12 -3,-1.4 2,-0.0 -34,-0.1 5,-0.0 -0.851 72.8-120.4-114.3 150.2 2.1 -28.6 22.5 87 287 A T >> - 0 0 48 -2,-0.3 4,-2.1 1,-0.1 3,-1.1 -0.288 31.7-110.5 -79.0 166.1 1.2 -32.2 21.7 88 288 A N H 3> S+ 0 0 97 1,-0.3 4,-1.2 2,-0.3 5,-0.2 0.857 119.1 60.2 -69.8 -29.8 -2.0 -33.0 19.7 89 289 A E H 34 S+ 0 0 154 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.430 118.6 34.9 -74.6 0.8 -3.8 -34.6 22.7 90 290 A E H <> S+ 0 0 4 -3,-1.1 4,-2.2 3,-0.1 -2,-0.3 0.539 109.8 59.4-123.0 -30.9 -3.2 -31.0 24.1 91 291 A K H < S+ 0 0 75 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.595 107.5 52.2 -76.3 -12.7 -3.7 -28.9 20.9 92 292 A N T < S+ 0 0 125 -4,-1.2 -1,-0.2 -5,-0.2 -3,-0.1 0.791 115.8 36.9 -88.4 -37.8 -7.2 -30.4 20.7 93 293 A I T 4 S+ 0 0 76 -5,-0.2 2,-1.4 1,-0.2 3,-0.2 0.922 104.3 67.3 -81.1 -55.0 -8.2 -29.5 24.3 94 294 A I < + 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 3,-0.1 -0.571 50.3 153.2 -77.9 90.9 -6.6 -26.1 24.8 95 295 A T + 0 0 94 -2,-1.4 2,-0.3 1,-0.2 -1,-0.2 0.788 66.7 20.1 -85.4 -30.3 -8.4 -23.8 22.5 96 296 A N > - 0 0 41 -3,-0.2 3,-0.6 1,-0.1 -1,-0.2 -0.985 60.4-134.7-143.2 156.4 -7.8 -20.6 24.5 97 297 A L G > S+ 0 0 10 -2,-0.3 3,-2.0 1,-0.2 -1,-0.1 0.836 100.0 71.8 -74.4 -32.5 -5.6 -19.1 27.2 98 298 A S G 3 S+ 0 0 96 1,-0.3 -1,-0.2 -3,-0.1 0, 0.0 0.713 94.9 50.7 -60.7 -24.0 -8.6 -17.7 29.1 99 299 A K G < S+ 0 0 106 -3,-0.6 -56,-2.3 2,-0.0 2,-0.5 0.416 90.4 100.4 -96.3 4.7 -9.8 -21.1 30.2 100 300 A C E < -E 42 0C 15 -3,-2.0 2,-0.7 -58,-0.2 -58,-0.2 -0.774 60.5-151.2 -97.2 130.6 -6.3 -22.1 31.6 101 301 A D E +E 41 0C 56 -60,-3.6 -60,-1.5 -2,-0.5 3,-0.3 -0.849 25.8 163.1-106.9 107.8 -5.6 -21.9 35.3 102 302 A F >> + 0 0 8 -2,-0.7 4,-2.7 1,-0.2 3,-0.5 0.490 44.1 110.8 -96.7 -5.5 -2.0 -21.2 36.2 103 303 A T H 3> S+ 0 0 75 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.729 79.1 44.9 -41.5 -39.5 -2.8 -20.1 39.8 104 304 A Q H 3> S+ 0 0 55 -3,-0.3 4,-1.9 -65,-0.3 -1,-0.2 0.919 113.8 48.7 -75.5 -41.6 -1.2 -23.1 41.5 105 305 A M H X> S+ 0 0 1 -3,-0.5 4,-1.7 1,-0.2 3,-0.8 0.987 111.8 50.7 -59.8 -51.6 1.9 -23.1 39.3 106 306 A S H 3X S+ 0 0 7 -4,-2.7 4,-0.8 1,-0.3 -1,-0.2 0.761 108.8 52.6 -56.8 -32.3 2.3 -19.4 40.0 107 307 A Q H 3X S+ 0 0 134 -4,-1.3 4,-0.8 -5,-0.3 -1,-0.3 0.857 105.0 53.3 -73.5 -38.5 1.9 -20.0 43.8 108 308 A Y H < S+ 0 0 134 -4,-1.0 3,-0.5 -5,-0.2 -1,-0.2 0.923 102.4 53.0 -84.0 -48.9 15.4 -20.1 48.7 117 317 A K T 3< S+ 0 0 147 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.297 104.4 62.5 -72.4 15.5 16.0 -17.0 50.8 118 318 A Q T 3 S+ 0 0 142 -3,-0.2 -1,-0.3 2,-0.0 2,-0.1 -0.412 80.3 134.2-132.4 49.4 15.8 -19.3 53.9 119 319 A M < - 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0 0 67 -2,-0.4 4,-1.8 -5,-0.0 3,-1.4 -0.953 65.2 -92.9-151.1 168.3 43.9 29.1 83.9 478 678 A A T 34 S+ 0 0 79 -2,-0.3 -2,-0.1 1,-0.3 0, 0.0 0.216 120.5 58.5 -70.8 14.2 45.6 26.5 81.5 479 679 A K T 34 S+ 0 0 153 2,-0.1 -1,-0.3 3,-0.1 -3,-0.1 0.590 109.7 40.0-113.0 -25.3 43.1 23.9 82.7 480 680 A T T <> S+ 0 0 19 -3,-1.4 4,-1.0 2,-0.1 3,-0.5 0.754 114.5 51.2 -93.8 -32.1 39.9 25.7 81.7 481 681 A K H X S+ 0 0 107 -4,-1.8 4,-0.5 1,-0.2 -3,-0.1 0.862 105.6 55.1 -73.0 -40.1 41.2 27.1 78.4 482 682 A K H > S+ 0 0 142 -5,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.444 107.2 52.7 -75.0 0.8 42.4 23.7 77.1 483 683 A V H > S+ 0 0 50 -3,-0.5 4,-0.8 2,-0.2 -1,-0.2 0.706 101.0 57.4-102.2 -30.6 38.9 22.4 77.7 484 684 A V H < S+ 0 0 23 -4,-1.0 -2,-0.2 1,-0.2 -3,-0.1 0.608 108.2 51.5 -74.3 -10.1 37.3 25.2 75.6 485 685 A E H >X S+ 0 0 95 -4,-0.5 4,-2.7 2,-0.2 3,-1.1 0.858 107.1 49.7 -87.7 -48.2 39.6 23.8 72.9 486 686 A S H 3< S+ 0 0 49 -4,-0.5 -2,-0.2 1,-0.3 -1,-0.1 0.567 113.5 47.7 -67.9 -13.1 38.3 20.2 73.4 487 687 A K T 3< S+ 0 0 70 -4,-0.8 4,-0.3 2,-0.1 -1,-0.3 0.464 112.3 49.2-103.4 -7.8 34.8 21.5 73.2 488 688 A K T <> S+ 0 0 118 -3,-1.1 4,-1.5 2,-0.2 3,-0.4 0.808 109.7 49.0 -95.4 -40.3 35.6 23.5 70.1 489 689 A K H X S+ 0 0 111 -4,-2.7 4,-1.3 1,-0.2 -3,-0.2 0.647 110.1 56.7 -71.3 -15.5 37.3 20.6 68.2 490 690 A A H > S+ 0 0 17 -5,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.736 101.6 52.1 -85.9 -30.1 34.1 18.7 69.3 491 691 A V H > S+ 0 0 10 -3,-0.4 4,-1.3 -4,-0.3 -2,-0.2 0.882 112.2 50.7 -72.8 -33.6 31.8 21.2 67.6 492 692 A Q H X S+ 0 0 96 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.853 102.6 53.5 -72.1 -43.1 33.9 20.7 64.4 493 693 A R H < S+ 0 0 146 -4,-1.3 4,-0.5 1,-0.2 -1,-0.2 0.790 116.3 43.1 -64.8 -26.1 34.0 16.9 64.2 494 694 A L H X S+ 0 0 26 -4,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.737 110.3 55.9 -88.0 -28.2 30.1 17.0 64.4 495 695 A E H X S+ 0 0 62 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.937 107.7 47.9 -69.6 -45.6 30.0 20.0 61.9 496 696 A E H X S+ 0 0 117 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.761 112.3 51.8 -65.1 -27.1 31.9 18.0 59.3 497 697 A Q H > S+ 0 0 86 -4,-0.5 4,-1.2 -5,-0.2 -1,-0.2 0.872 107.0 50.1 -78.0 -38.7 29.6 15.1 59.9 498 698 A L H X S+ 0 0 15 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.871 110.5 51.8 -66.6 -36.4 26.4 17.1 59.5 499 699 A M H X S+ 0 0 76 -4,-1.9 4,-3.1 1,-0.2 5,-0.4 0.969 107.4 52.4 -61.7 -49.9 27.9 18.4 56.2 500 700 A K H X S+ 0 0 88 -4,-1.7 4,-0.6 1,-0.2 -1,-0.2 0.750 114.3 43.4 -61.4 -25.1 28.5 14.9 55.1 501 701 A L H < S+ 0 0 46 -4,-1.2 4,-0.4 2,-0.1 -1,-0.2 0.877 116.1 44.2 -90.0 -36.9 24.9 14.0 55.8 502 702 A E H >X S+ 0 0 72 -4,-2.7 4,-1.2 2,-0.2 3,-0.6 0.882 113.2 50.1 -73.3 -39.9 23.2 17.1 54.3 503 703 A V H 3X S+ 0 0 28 -4,-3.1 4,-2.1 1,-0.2 3,-0.3 0.878 110.7 51.9 -66.0 -36.1 25.4 17.1 51.1 504 704 A Q H 3X S+ 0 0 88 -4,-0.6 4,-0.9 -5,-0.4 -1,-0.2 0.611 107.1 52.5 -75.9 -15.5 24.5 13.4 50.7 505 705 A A H <> S+ 0 0 21 -3,-0.6 4,-1.2 -4,-0.4 -1,-0.2 0.697 109.6 48.6 -90.3 -24.9 20.8 14.1 51.1 506 706 A T H X S+ 0 0 58 -4,-1.2 4,-2.2 -3,-0.3 3,-0.4 0.961 109.5 51.7 -75.6 -52.8 20.9 16.8 48.3 507 707 A D H X S+ 0 0 32 -4,-2.1 4,-2.0 1,-0.3 -2,-0.2 0.878 112.9 47.3 -48.4 -46.9 22.9 14.4 45.9 508 708 A R H < S+ 0 0 138 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.827 114.3 44.3 -68.9 -37.5 20.2 11.8 46.5 509 709 A E H < S+ 0 0 111 -4,-1.2 3,-0.5 -3,-0.4 -1,-0.2 0.667 111.9 50.9 -86.3 -17.6 17.2 14.0 46.0 510 710 A E H >< S+ 0 0 72 -4,-2.2 2,-1.8 1,-0.2 3,-0.6 0.918 107.7 54.6 -80.7 -42.0 18.5 15.8 42.9 511 711 A N T 3< S+ 0 0 34 -4,-2.0 -1,-0.2 -5,-0.3 5,-0.1 -0.293 79.1 112.9 -85.1 52.0 19.3 12.5 41.2 512 712 A K T 3 S+ 0 0 82 -2,-1.8 -1,-0.2 -3,-0.5 -2,-0.1 0.883 88.8 16.7 -90.3 -48.4 15.6 11.4 41.8 513 713 A Q S < S+ 0 0 97 -3,-0.6 -79,-0.5 -4,-0.1 2,-0.3 -0.188 113.6 87.3-118.5 34.3 14.4 11.3 38.2 514 714 A I B -O 433 0J 27 -81,-0.2 2,-0.4 -79,-0.1 -81,-0.2 -0.858 61.3-144.6-128.5 163.7 17.8 11.2 36.5 515 715 A A + 0 0 26 -83,-1.4 4,-0.3 -2,-0.3 -83,-0.1 -0.944 15.4 177.2-137.0 113.0 20.2 8.4 35.5 516 716 A L > + 0 0 17 -2,-0.4 4,-3.2 1,-0.1 3,-0.4 0.748 65.4 83.5 -85.9 -23.9 24.0 8.8 35.6 517 717 A G H > S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 5,-0.5 0.884 86.5 48.5 -44.5 -61.2 24.9 5.3 34.5 518 718 A T H >>S+ 0 0 58 1,-0.2 4,-1.1 2,-0.2 5,-0.5 0.822 120.6 38.9 -57.5 -32.6 24.6 5.4 30.7 519 719 A S H >>S+ 0 0 0 -3,-0.4 5,-2.0 -4,-0.3 4,-1.3 0.929 110.8 59.4 -82.9 -39.1 26.7 8.6 30.7 520 720 A K H <5S+ 0 0 33 -4,-3.2 -2,-0.2 3,-0.2 -3,-0.2 0.867 126.3 17.2 -53.9 -45.2 29.2 7.5 33.5 521 721 A L H <5S+ 0 0 50 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.913 134.9 35.4 -95.3 -54.8 30.2 4.5 31.5 522 722 A N H <5S+ 0 0 80 -4,-1.1 -3,-0.2 -5,-0.5 -2,-0.2 0.775 122.5 25.4 -78.5 -27.0 29.1 5.1 27.9 523 723 A X T <> - 0 0 0 -2,-0.5 3,-2.0 -134,-0.2 4,-0.8 -0.437 23.4-143.8 -57.3 108.3 35.9 10.4 28.6 526 726 A P H 3> S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.694 96.7 66.1 -50.6 -23.1 37.2 8.7 31.8 527 727 A R H 3> S+ 0 0 6 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.911 92.9 60.5 -66.5 -36.6 40.4 10.8 31.7 528 728 A I H <> S+ 0 0 5 -3,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.869 111.9 40.6 -54.8 -41.6 38.3 14.0 32.3 529 729 A T H X S+ 0 0 0 -4,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.992 112.3 53.4 -72.3 -57.0 37.3 12.4 35.6 530 730 A V H X S+ 0 0 3 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.790 109.3 49.6 -46.1 -42.1 40.7 10.9 36.4 531 731 A A H X S+ 0 0 6 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.974 109.1 51.4 -64.0 -51.6 42.3 14.4 36.0 532 732 A W H X S+ 0 0 15 -4,-1.6 4,-1.7 -5,-0.2 6,-0.2 0.819 112.6 47.5 -53.4 -38.2 39.8 16.0 38.3 533 733 A C H <>S+ 0 0 7 -4,-2.1 5,-1.9 2,-0.2 4,-0.3 0.913 110.4 49.4 -72.6 -41.3 40.4 13.3 40.9 534 734 A K H ><5S+ 0 0 97 -4,-2.4 3,-0.5 -5,-0.2 -2,-0.2 0.875 111.8 52.7 -65.3 -34.6 44.2 13.6 40.7 535 735 A K H 3<5S+ 0 0 116 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.985 117.3 31.2 -63.3 -66.0 43.9 17.4 41.1 536 736 A W T 3<5S- 0 0 62 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.183 110.2-115.1 -82.7 14.1 41.7 17.6 44.2 537 737 A G T < 5 + 0 0 50 -3,-0.5 -3,-0.2 -4,-0.3 -4,-0.1 0.788 57.3 160.2 55.9 34.2 43.2 14.4 45.7 538 738 A V < - 0 0 3 -5,-1.9 2,-0.3 -6,-0.2 -1,-0.2 -0.806 45.3-122.3 -88.1 106.5 39.9 12.5 45.5 539 739 A P > - 0 0 59 0, 0.0 3,-2.9 0, 0.0 4,-0.2 -0.344 21.2-127.4 -56.6 109.7 40.7 8.8 45.7 540 740 A I G >> S+ 0 0 29 -2,-0.3 3,-2.7 1,-0.3 4,-2.4 0.654 101.7 74.2 -25.8 -39.8 39.1 7.4 42.5 541 741 A E G 34 S+ 0 0 116 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.628 87.6 64.2 -59.0 -13.0 37.2 4.7 44.4 542 742 A K G <4 S+ 0 0 101 -3,-2.9 -1,-0.3 3,-0.1 -2,-0.2 0.774 118.0 24.1 -81.3 -24.1 34.9 7.4 45.5 543 743 A I T <4 S+ 0 0 12 -3,-2.7 2,-0.4 1,-0.3 -2,-0.2 0.860 127.7 35.6-103.5 -56.9 33.8 8.0 41.9 544 744 A Y S < S- 0 0 0 -4,-2.4 -1,-0.3 4,-0.0 2,-0.0 -0.899 72.8-147.2-104.3 131.6 34.4 4.7 40.0 545 745 A N > - 0 0 77 -2,-0.4 4,-3.1 -3,-0.1 5,-0.2 -0.190 41.4 -77.5 -84.1-171.5 33.9 1.3 41.6 546 746 A K H > S+ 0 0 135 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.818 129.1 43.2 -59.0 -43.5 35.9 -1.9 40.8 547 747 A T H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.845 119.4 47.7 -72.2 -29.9 34.4 -3.0 37.5 548 748 A Q H > S+ 0 0 15 2,-0.2 4,-3.1 3,-0.2 -2,-0.2 0.900 110.5 49.6 -73.5 -42.4 34.5 0.7 36.4 549 749 A R H < S+ 0 0 88 -4,-3.1 7,-0.2 1,-0.2 -2,-0.2 0.952 114.8 46.9 -62.3 -44.1 38.2 1.1 37.6 550 750 A E H >< S+ 0 0 73 -4,-2.4 3,-1.2 2,-0.2 -2,-0.2 0.889 113.1 46.1 -65.2 -42.4 39.0 -2.0 35.7 551 751 A K H 3< S+ 0 0 25 -4,-2.2 3,-0.5 1,-0.3 -2,-0.2 0.943 120.7 41.1 -64.7 -42.8 37.1 -0.9 32.5 552 752 A F T >X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.2 3,-1.1 0.095 78.0 121.6 -93.9 21.7 38.7 2.4 32.8 553 753 A A H <> S+ 0 0 33 -3,-1.2 4,-1.7 1,-0.3 5,-0.3 0.820 72.0 57.8 -53.3 -34.6 42.1 1.0 33.8 554 754 A W H 3> S+ 0 0 1 -3,-0.5 4,-1.7 -4,-0.2 -1,-0.3 0.838 106.5 46.4 -67.4 -36.2 43.6 2.8 30.8 555 755 A A H <4 S+ 0 0 0 -3,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.986 108.8 53.2 -69.8 -55.1 42.5 6.2 31.9 556 756 A I H >< S+ 0 0 44 -4,-1.7 3,-0.7 1,-0.2 -2,-0.2 0.873 117.9 35.2 -45.0 -54.9 43.6 6.0 35.5 557 757 A D H 3< S+ 0 0 79 -4,-1.7 2,-0.3 1,-0.2 -1,-0.2 0.892 118.8 47.8 -72.7 -43.5 47.2 5.0 34.7 558 758 A M T 3< S+ 0 0 56 -4,-1.7 2,-0.3 -5,-0.3 -1,-0.2 -0.211 100.1 75.4 -98.2 42.1 47.8 7.0 31.5 559 759 A A < - 0 0 10 -3,-0.7 2,-0.1 -2,-0.3 -25,-0.1 -0.922 56.5-159.0-157.5 129.0 46.5 10.4 32.6 560 760 A D > - 0 0 77 -2,-0.3 3,-0.8 1,-0.0 -26,-0.1 -0.242 39.7 -96.7 -93.7-177.7 47.8 13.2 34.8 561 761 A E T 3 S+ 0 0 79 1,-0.2 -26,-0.2 -27,-0.1 -25,-0.1 0.830 120.0 61.5 -70.6 -29.1 46.0 16.1 36.7 562 762 A D T 3 S+ 0 0 119 -28,-0.1 -1,-0.2 2,-0.0 -31,-0.0 0.575 75.7 131.6 -77.4 -10.2 46.8 18.4 33.9 563 763 A Y < - 0 0 32 -3,-0.8 2,-0.4 -36,-0.1 -31,-0.1 -0.082 35.3-169.8 -50.7 136.1 44.8 16.4 31.2 564 764 A E 0 0 143 1,-0.2 -1,-0.1 -33,-0.1 -2,-0.0 -0.990 360.0 360.0-136.7 123.6 42.4 18.4 29.1 565 765 A F 0 0 5 -2,-0.4 -1,-0.2 -170,-0.1 -169,-0.1 0.985 360.0 360.0 -78.1 360.0 39.7 17.0 26.7