==== 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 11-FEB-04 1SC7 . 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, . 567 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33479.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 61.4 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 . 43 7.6 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 . 2 0.4 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 . 33 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 2 3 1 1 1 2 2 0 3 1 1 0 1 1 0 0 0 0 1 0 0 0 0 0 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 . 3 2 2 3 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 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 1 199 A E 0 0 153 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.6 103.6 -11.0 39.2 2 200 A E + 0 0 116 1,-0.2 0, 0.0 2,-0.0 0, 0.0 -0.473 360.0 147.1 -66.0 112.6 99.9 -10.4 38.1 3 201 A Q - 0 0 97 -2,-0.5 -1,-0.2 2,-0.0 0, 0.0 0.813 28.1-162.2-109.3 -65.2 98.9 -6.8 39.2 4 202 A K - 0 0 92 1,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.976 14.0-137.4 68.5 94.4 96.4 -5.2 36.7 5 203 A W - 0 0 70 1,-0.1 2,-0.6 2,-0.0 -1,-0.1 -0.568 5.5-154.0 -80.8 137.9 96.1 -1.4 36.9 6 204 A K > + 0 0 82 -2,-0.3 3,-1.8 1,-0.1 4,-0.3 -0.670 18.7 173.0-111.6 74.0 92.7 0.3 36.8 7 205 A W T 3 + 0 0 14 -2,-0.6 3,-0.4 1,-0.3 -1,-0.1 0.557 69.2 71.7 -56.5 -15.8 93.6 3.8 35.5 8 206 A W T 3 S+ 0 0 22 1,-0.2 -1,-0.3 -3,-0.1 4,-0.1 0.739 90.2 57.6 -76.0 -23.3 89.9 4.7 35.1 9 207 A E S < S+ 0 0 125 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.594 94.8 84.9 -83.2 -10.0 89.4 5.0 38.8 10 208 A E S S- 0 0 107 -3,-0.4 2,-0.2 -4,-0.3 -3,-0.0 -0.273 88.4 -92.7 -85.1 171.2 92.1 7.6 39.2 11 209 A E - 0 0 182 1,-0.1 2,-0.1 -2,-0.1 -1,-0.1 -0.565 37.4-114.8 -87.5 152.8 91.7 11.4 38.6 12 210 A R - 0 0 115 -2,-0.2 -1,-0.1 1,-0.1 -4,-0.0 -0.431 29.5-107.3 -83.3 157.1 92.4 13.2 35.3 13 211 A Y - 0 0 88 4,-0.2 3,-0.2 -2,-0.1 2,-0.1 -0.648 38.9-103.1 -86.1 140.1 95.1 15.8 34.7 14 212 A P > - 0 0 107 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.454 67.9 -49.8 -67.3 137.0 94.2 19.5 34.4 15 213 A E T 3 S+ 0 0 198 1,-0.2 2,-0.9 -2,-0.1 3,-0.1 0.522 120.3 2.9 -5.2 119.0 94.2 21.0 30.8 16 214 A G T 3 S+ 0 0 35 1,-0.2 -1,-0.2 -3,-0.2 2,-0.1 -0.473 94.7 110.5 97.4 -61.1 97.2 20.4 28.6 17 215 A I < + 0 0 49 -3,-1.0 194,-0.2 -2,-0.9 -1,-0.2 -0.261 33.2 173.6 -57.8 122.9 99.4 18.2 30.9 18 216 A K - 0 0 74 192,-3.1 2,-0.3 1,-0.3 193,-0.1 0.635 65.2 -11.9-102.1 -24.5 99.7 14.6 29.6 19 217 A W - 0 0 6 191,-0.8 -1,-0.3 1,-0.1 3,-0.1 -0.964 37.9-149.9-163.7 175.4 102.3 13.4 32.2 20 218 A K S S+ 0 0 148 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.515 87.9 36.7-127.9 -25.9 104.8 14.3 34.9 21 219 A F + 0 0 61 168,-0.1 125,-0.9 169,-0.1 -1,-0.4 -0.991 60.7 166.9-133.6 140.3 107.3 11.5 34.5 22 220 A L E +A 145 0A 0 -2,-0.3 167,-2.3 123,-0.2 2,-0.3 -0.891 0.6 165.2-158.0 122.7 108.6 9.7 31.3 23 221 A E E +A 144 0A 59 121,-1.8 121,-2.5 -2,-0.3 2,-0.3 -0.996 6.4 158.3-142.0 134.2 111.5 7.4 30.6 24 222 A H E -A 143 0A 8 169,-0.4 119,-0.1 -2,-0.3 116,-0.1 -0.970 46.4-120.4-149.7 159.6 112.4 5.0 27.7 25 223 A K - 0 0 96 117,-0.5 118,-0.1 -2,-0.3 116,-0.1 0.190 61.8-116.4 -89.4 19.0 115.4 3.3 26.1 26 224 A G - 0 0 5 114,-0.1 -1,-0.3 169,-0.1 190,-0.1 -0.119 45.4 -43.7 74.2-177.6 114.8 5.1 22.8 27 225 A P - 0 0 9 0, 0.0 2,-0.5 0, 0.0 129,-0.2 -0.228 50.1-118.0 -81.1 173.2 113.9 3.7 19.4 28 226 A V B -c 156 0B 22 127,-1.8 129,-2.2 112,-0.0 2,-0.1 -0.962 26.8-141.9-116.4 114.6 115.3 0.6 17.6 29 227 A F - 0 0 45 -2,-0.5 151,-0.1 127,-0.2 129,-0.1 -0.405 26.5 -99.1 -77.0 146.0 117.1 1.3 14.3 30 228 A A - 0 0 19 149,-0.2 -1,-0.1 128,-0.1 3,-0.1 -0.407 52.4 -91.5 -62.0 136.5 116.8 -1.0 11.3 31 229 A P - 0 0 102 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.249 53.6 -94.7 -54.5 132.6 119.9 -3.4 11.0 32 230 A P - 0 0 101 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.088 51.2 -82.9 -49.9 148.8 122.6 -1.9 8.7 33 231 A Y - 0 0 57 -3,-0.1 24,-0.0 1,-0.1 21,-0.0 -0.363 35.5-152.8 -60.3 125.4 122.8 -2.8 5.0 34 232 A E - 0 0 152 -2,-0.2 -1,-0.1 -3,-0.1 0, 0.0 -0.901 25.1-125.0-100.4 113.3 124.5 -6.1 4.2 35 233 A P - 0 0 80 0, 0.0 22,-0.0 0, 0.0 -1,-0.0 -0.270 28.8 -93.9 -62.1 147.0 125.9 -5.9 0.6 36 234 A L - 0 0 22 1,-0.1 71,-0.0 2,-0.1 21,-0.0 -0.266 46.5-109.9 -58.0 139.3 125.0 -8.5 -2.1 37 235 A P > - 0 0 38 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.003 32.7 -93.3 -66.0 176.9 127.5 -11.4 -2.5 38 236 A E T 3 S+ 0 0 142 1,-0.2 -2,-0.1 3,-0.0 0, 0.0 0.869 118.3 54.2 -60.1 -42.5 129.9 -12.0 -5.4 39 237 A N T 3 S+ 0 0 104 2,-0.1 2,-0.8 1,-0.0 -1,-0.2 0.516 86.9 90.5 -76.0 -5.3 127.7 -14.3 -7.5 40 238 A V < - 0 0 6 -3,-0.9 2,-0.3 67,-0.0 67,-0.1 -0.840 66.1-167.3 -95.6 109.8 124.8 -11.9 -7.6 41 239 A K - 0 0 74 -2,-0.8 2,-0.5 9,-0.1 65,-0.3 -0.770 19.8-154.5-106.3 146.0 125.3 -9.7 -10.7 42 240 A F E -D 49 0C 9 7,-0.7 7,-1.9 -2,-0.3 2,-0.5 -0.970 17.4-156.7-115.4 128.4 123.7 -6.4 -12.0 43 241 A Y E -DE 48 103C 63 60,-1.4 60,-3.4 -2,-0.5 2,-0.5 -0.906 11.0-169.6-114.6 129.9 123.8 -5.8 -15.7 44 242 A Y E > S-DE 47 102C 13 3,-2.5 3,-1.0 -2,-0.5 58,-0.2 -0.971 82.9 -17.5-117.6 116.7 123.6 -2.4 -17.5 45 243 A D T 3 S- 0 0 93 56,-2.7 -1,-0.1 -2,-0.5 2,-0.1 0.798 126.4 -58.4 58.8 33.3 123.1 -2.7 -21.3 46 244 A G T 3 S+ 0 0 59 55,-0.5 -1,-0.3 1,-0.3 2,-0.1 -0.140 116.6 111.8 92.0 -38.3 124.2 -6.3 -21.1 47 245 A K E < S-D 44 0C 150 -3,-1.0 -3,-2.5 -2,-0.1 -1,-0.3 -0.348 70.3-114.4 -68.4 149.3 127.6 -5.4 -19.6 48 246 A V E +D 43 0C 83 -5,-0.2 2,-0.3 -3,-0.1 -5,-0.2 -0.559 39.5 164.9 -87.4 146.4 128.4 -6.4 -16.0 49 247 A M E -D 42 0C 41 -7,-1.9 -7,-0.7 -2,-0.2 2,-0.5 -0.965 30.7-137.0-160.4 147.8 128.9 -3.8 -13.2 50 248 A K - 0 0 103 -2,-0.3 2,-0.2 -9,-0.1 -9,-0.1 -0.952 26.1-143.5-109.0 121.2 129.0 -3.7 -9.4 51 249 A L - 0 0 7 -2,-0.5 5,-0.1 1,-0.1 37,-0.0 -0.534 22.0-102.3 -84.4 153.7 127.2 -0.7 -7.8 52 250 A S > - 0 0 32 -2,-0.2 4,-2.1 1,-0.1 5,-0.3 -0.159 41.0 -99.1 -66.5 161.0 128.4 1.2 -4.6 53 251 A P H > S+ 0 0 83 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.821 120.9 46.2 -54.7 -36.6 126.6 0.4 -1.2 54 252 A K H > S+ 0 0 140 1,-0.2 4,-0.7 2,-0.2 34,-0.1 0.843 119.5 40.5 -75.8 -32.8 124.3 3.5 -1.2 55 253 A A H > S+ 0 0 0 -3,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.670 112.8 54.3 -87.6 -21.1 123.2 2.9 -4.9 56 254 A E H X S+ 0 0 11 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.847 103.9 56.5 -78.9 -35.9 123.0 -0.9 -4.6 57 255 A E H X S+ 0 0 29 -4,-1.3 4,-1.2 -5,-0.3 -2,-0.2 0.864 107.7 47.6 -64.0 -35.1 120.6 -0.6 -1.6 58 256 A V H X S+ 0 0 2 -4,-0.7 4,-0.8 1,-0.2 -1,-0.2 0.755 110.2 53.8 -79.4 -21.7 118.2 1.4 -3.7 59 257 A A H X S+ 0 0 0 -4,-0.7 4,-2.1 2,-0.2 3,-0.4 0.882 101.9 57.5 -78.7 -37.2 118.5 -1.1 -6.5 60 258 A T H X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.893 102.1 55.9 -59.9 -39.6 117.6 -4.0 -4.2 61 259 A F H X S+ 0 0 21 -4,-1.2 4,-0.9 1,-0.2 -1,-0.2 0.836 109.4 45.2 -61.3 -40.4 114.3 -2.3 -3.3 62 260 A F H X S+ 0 0 5 -4,-0.8 4,-1.1 -3,-0.4 3,-0.5 0.902 111.1 53.6 -70.9 -42.5 113.3 -2.1 -6.9 63 261 A A H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.827 107.7 51.1 -61.4 -35.0 114.3 -5.7 -7.6 64 262 A K H < S+ 0 0 105 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.744 112.5 46.0 -74.4 -27.0 112.2 -6.9 -4.7 65 263 A M H >< S+ 0 0 35 -4,-0.9 3,-2.1 -3,-0.5 6,-0.3 0.600 82.1 104.2 -91.1 -11.7 109.1 -5.1 -6.1 66 264 A L T 3< + 0 0 54 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.543 66.8 66.5 -46.8 -21.1 109.6 -6.2 -9.7 67 265 A D T 3 S+ 0 0 116 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.859 90.5 94.5 -71.5 -32.4 106.8 -8.8 -9.6 68 266 A H S < S- 0 0 80 -3,-2.1 3,-0.3 1,-0.1 -3,-0.0 -0.023 78.2-128.5 -65.9 161.1 104.3 -6.0 -9.3 69 267 A E S > S+ 0 0 123 1,-0.2 3,-1.6 2,-0.1 4,-0.4 0.851 101.2 65.9 -73.6 -39.4 102.2 -4.0 -11.7 70 268 A Y G > S+ 0 0 18 1,-0.3 3,-1.3 2,-0.2 6,-0.3 0.765 84.7 71.2 -61.6 -27.1 103.3 -0.6 -10.4 71 269 A T G 3 S+ 0 0 5 -6,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.365 96.8 53.7 -71.8 3.2 106.9 -1.0 -11.5 72 270 A T G < S+ 0 0 108 -3,-1.6 -1,-0.3 4,-0.0 -2,-0.2 0.570 85.6 106.1-108.7 -13.1 105.7 -0.6 -15.1 73 271 A K S <> S- 0 0 71 -3,-1.3 4,-1.9 -4,-0.4 5,-0.2 -0.325 71.5-132.8 -67.5 141.1 103.9 2.7 -14.4 74 272 A E H > S+ 0 0 173 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.930 102.8 50.5 -63.8 -44.7 105.5 5.9 -15.8 75 273 A I H > S+ 0 0 65 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.854 111.2 50.9 -62.0 -36.3 105.3 8.1 -12.6 76 274 A F H > S+ 0 0 0 -6,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.939 112.8 43.9 -64.5 -52.2 106.8 5.2 -10.5 77 275 A R H X S+ 0 0 74 -4,-1.9 4,-1.2 -7,-0.2 -2,-0.2 0.729 113.7 51.6 -68.1 -23.6 109.8 4.8 -12.8 78 276 A K H X S+ 0 0 154 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.961 115.2 41.3 -74.9 -52.4 110.3 8.6 -13.2 79 277 A N H X S+ 0 0 18 -4,-2.4 4,-2.2 93,-0.3 3,-0.5 0.925 113.4 52.0 -60.4 -49.7 110.3 9.1 -9.4 80 278 A F H X S+ 0 0 0 -4,-2.8 4,-1.2 92,-0.3 -1,-0.2 0.858 111.2 48.4 -54.2 -47.3 112.4 6.0 -8.6 81 279 A F H X S+ 0 0 29 -4,-1.2 4,-2.2 2,-0.2 -1,-0.3 0.781 106.9 54.3 -67.6 -30.9 115.1 7.0 -11.1 82 280 A K H X S+ 0 0 125 -4,-1.5 4,-1.3 -3,-0.5 -2,-0.2 0.952 115.0 41.7 -69.5 -41.1 115.3 10.6 -9.8 83 281 A D H X S+ 0 0 20 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.682 112.7 54.5 -78.3 -19.3 115.9 9.2 -6.3 84 282 A W H >< S+ 0 0 0 -4,-1.2 3,-0.8 -5,-0.2 4,-0.2 0.950 106.6 49.5 -78.6 -48.4 118.3 6.5 -7.6 85 283 A R H >< S+ 0 0 75 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.826 105.5 59.9 -56.8 -35.1 120.6 8.9 -9.4 86 284 A K H 3< S+ 0 0 126 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.853 105.5 47.6 -62.3 -36.4 120.8 11.0 -6.3 87 285 A E T << S+ 0 0 59 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.298 99.3 96.5 -89.5 7.1 122.2 8.1 -4.3 88 286 A M S < S- 0 0 18 -3,-1.4 2,-0.1 -4,-0.2 -3,-0.0 -0.469 73.2-113.5 -96.3 169.1 124.8 7.3 -7.0 89 287 A T > - 0 0 56 -2,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.286 38.0-100.7 -88.2 178.1 128.5 8.2 -7.5 90 288 A N H > S+ 0 0 122 2,-0.2 4,-0.9 1,-0.2 -1,-0.1 0.786 122.6 52.0 -74.7 -23.6 129.7 10.4 -10.4 91 289 A E H > S+ 0 0 133 2,-0.2 4,-1.4 1,-0.1 3,-0.2 0.922 111.2 45.7 -74.4 -48.0 130.9 7.4 -12.4 92 290 A E H > S+ 0 0 4 1,-0.2 4,-2.8 2,-0.2 3,-0.2 0.885 108.7 56.0 -64.2 -39.9 127.5 5.6 -12.1 93 291 A K H < S+ 0 0 73 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.814 108.9 48.9 -61.8 -33.3 125.6 8.8 -13.0 94 292 A N H < S+ 0 0 122 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.799 119.1 35.6 -79.1 -31.4 127.5 9.0 -16.2 95 293 A I H < S+ 0 0 64 -4,-1.4 2,-1.0 -3,-0.2 -2,-0.2 0.936 108.4 64.8 -85.3 -57.2 127.0 5.4 -17.3 96 294 A I < + 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 3,-0.1 -0.591 54.2 152.1 -74.4 100.2 123.5 4.8 -16.1 97 295 A T + 0 0 88 -2,-1.0 2,-0.3 1,-0.3 -1,-0.2 0.697 63.6 24.3 -99.6 -28.2 121.4 7.2 -18.1 98 296 A N > - 0 0 43 1,-0.1 3,-0.6 0, 0.0 -1,-0.3 -0.991 61.4-135.0-142.8 152.2 118.1 5.2 -18.1 99 297 A L G > S+ 0 0 12 -2,-0.3 3,-1.1 1,-0.2 -1,-0.1 0.748 98.1 72.1 -74.5 -23.4 116.3 2.6 -16.0 100 298 A S G 3 S+ 0 0 92 1,-0.3 -1,-0.2 3,-0.0 -55,-0.0 0.763 94.2 49.5 -66.7 -29.7 115.3 0.6 -19.1 101 299 A K G < S+ 0 0 92 -3,-0.6 -56,-2.7 2,-0.1 -55,-0.5 0.474 89.3 103.2 -87.6 -4.9 118.8 -0.8 -19.9 102 300 A C E < -E 44 0C 14 -3,-1.1 2,-0.6 -58,-0.2 -58,-0.2 -0.682 61.3-153.0 -82.5 125.7 119.2 -1.9 -16.2 103 301 A D E +E 43 0C 59 -60,-3.4 -60,-1.4 -2,-0.4 3,-0.2 -0.908 25.3 165.4-105.8 116.7 118.7 -5.6 -15.8 104 302 A F >> + 0 0 7 -2,-0.6 4,-2.0 -62,-0.1 3,-1.1 0.259 42.9 112.9-109.3 8.3 117.5 -6.7 -12.3 105 303 A T T 34 S+ 0 0 75 1,-0.2 -1,-0.1 2,-0.2 -63,-0.1 0.436 79.6 46.8 -64.6 -0.5 116.6 -10.3 -13.3 106 304 A Q T 3> S+ 0 0 70 -65,-0.3 4,-0.7 -3,-0.2 -1,-0.2 0.584 110.9 49.0-112.6 -19.7 119.3 -11.8 -11.2 107 305 A M H <> S+ 0 0 2 -3,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.758 105.6 58.4 -87.1 -31.3 118.7 -9.8 -8.0 108 306 A S H < S+ 0 0 12 -4,-2.0 -1,-0.2 1,-0.2 -3,-0.1 0.630 109.1 46.9 -72.6 -16.2 114.9 -10.6 -8.1 109 307 A Q H > S+ 0 0 133 -5,-0.2 4,-0.9 2,-0.1 -1,-0.2 0.740 105.7 56.2 -96.1 -29.6 115.9 -14.3 -8.0 110 308 A Y H >X S+ 0 0 70 -4,-0.7 4,-1.5 1,-0.2 3,-0.6 0.918 107.3 49.6 -67.6 -44.7 118.4 -14.1 -5.1 111 309 A F H 3< S+ 0 0 30 -4,-1.6 -1,-0.2 1,-0.2 4,-0.2 0.638 111.3 50.2 -70.1 -13.5 115.8 -12.5 -2.8 112 310 A K H 3> S+ 0 0 94 2,-0.2 4,-0.6 -3,-0.1 -1,-0.2 0.608 112.8 45.9 -93.8 -20.9 113.4 -15.3 -3.8 113 311 A A H S+ 0 0 61 -4,-0.2 4,-1.6 -5,-0.2 3,-0.4 0.824 104.2 53.0 -81.6 -35.0 113.2 -16.4 1.2 116 314 A E H < S+ 0 0 113 -4,-0.6 4,-0.3 1,-0.2 -2,-0.2 0.882 111.7 44.9 -66.0 -42.1 113.2 -20.2 0.7 117 315 A A T < S+ 0 0 69 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.484 110.1 57.2 -81.5 -6.7 116.2 -20.7 3.0 118 316 A R T 4 S+ 0 0 136 -3,-0.4 3,-0.4 1,-0.1 -2,-0.2 0.794 109.3 42.6 -91.7 -36.4 114.6 -18.3 5.5 119 317 A K S < S+ 0 0 154 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.415 111.8 58.6 -89.2 -0.8 111.4 -20.3 5.9 120 318 A Q S S+ 0 0 152 -4,-0.3 -1,-0.2 -5,-0.1 2,-0.1 -0.377 76.2 138.9-124.5 52.3 113.3 -23.6 6.0 121 319 A M - 0 0 88 -3,-0.4 2,-0.2 1,-0.1 -3,-0.1 -0.343 55.1 -96.2 -88.0 172.3 115.6 -23.0 9.0 122 320 A S > - 0 0 66 -2,-0.1 4,-1.1 1,-0.1 3,-0.3 -0.491 32.9-109.0 -87.1 162.6 116.5 -25.6 11.8 123 321 A K H > S+ 0 0 185 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.784 119.6 46.1 -62.2 -28.9 114.8 -25.8 15.2 124 322 A E H 4 S+ 0 0 168 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.759 113.1 47.4 -85.5 -27.6 117.8 -24.4 17.0 125 323 A E H 4 S+ 0 0 107 -3,-0.3 4,-0.5 2,-0.2 -2,-0.2 0.539 113.9 48.4 -89.4 -9.4 118.5 -21.5 14.5 126 324 A K H X S+ 0 0 122 -4,-1.1 4,-1.0 2,-0.2 -2,-0.2 0.729 111.4 48.2 -97.5 -32.1 114.8 -20.4 14.5 127 325 A L T < S+ 0 0 86 -4,-0.9 4,-0.5 -5,-0.2 -2,-0.2 0.575 106.5 60.2 -83.7 -12.0 114.5 -20.5 18.3 128 326 A K T > S+ 0 0 115 -4,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.870 109.2 40.9 -80.4 -39.1 117.7 -18.4 18.5 129 327 A I H > S+ 0 0 74 -4,-0.5 4,-1.5 1,-0.2 -2,-0.2 0.746 109.1 60.4 -79.9 -23.8 116.1 -15.6 16.5 130 328 A K H < S+ 0 0 124 -4,-1.0 4,-0.4 1,-0.2 -1,-0.2 0.728 108.2 45.5 -74.3 -23.7 112.8 -16.0 18.4 131 329 A E H > S+ 0 0 117 -4,-0.5 4,-0.7 -3,-0.2 -1,-0.2 0.610 108.2 57.0 -92.8 -15.8 114.8 -15.2 21.6 132 330 A E H X S+ 0 0 76 -4,-0.5 4,-0.5 2,-0.2 -2,-0.2 0.792 109.6 43.8 -82.2 -32.8 116.6 -12.2 19.9 133 331 A N H X S+ 0 0 85 -4,-1.5 4,-1.2 1,-0.2 -2,-0.2 0.686 111.1 57.5 -81.6 -23.3 113.3 -10.5 19.0 134 332 A E H > S+ 0 0 115 -4,-0.4 4,-1.0 2,-0.2 -2,-0.2 0.711 103.2 50.5 -80.3 -27.5 112.0 -11.3 22.5 135 333 A K H X S+ 0 0 136 -4,-0.7 4,-1.5 2,-0.2 -1,-0.2 0.713 107.6 55.3 -83.5 -20.2 114.8 -9.5 24.3 136 334 A L H X>S+ 0 0 45 -4,-0.5 4,-2.7 2,-0.2 5,-0.9 0.894 107.8 47.9 -74.1 -43.4 114.2 -6.4 22.1 137 335 A L H <5S+ 0 0 46 -4,-1.2 4,-0.4 3,-0.2 -2,-0.2 0.833 112.7 50.8 -64.7 -36.1 110.6 -6.2 23.2 138 336 A K H <5S+ 0 0 162 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.847 121.3 30.8 -72.4 -36.6 111.7 -6.6 26.8 139 337 A E H <5S+ 0 0 119 -4,-1.5 -2,-0.2 2,-0.1 -114,-0.2 0.690 136.0 18.4 -99.5 -20.7 114.2 -3.8 26.7 140 338 A Y T <5S+ 0 0 87 -4,-2.7 -3,-0.2 -5,-0.1 -115,-0.2 0.635 108.6 71.4-121.8 -25.1 112.9 -1.3 24.2 141 339 A G S -AB 22 148A 0 3,-2.5 3,-0.6 -2,-0.6 -123,-0.2 -0.968 66.2 -21.5-131.1 113.5 105.0 6.9 32.4 146 344 A D T 3 S- 0 0 7 -125,-0.9 -1,-0.2 -2,-0.5 -124,-0.1 0.964 125.4 -39.6 52.8 76.3 103.8 8.2 35.7 147 345 A N T 3 S+ 0 0 151 -3,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.435 123.6 88.4 62.7 -0.6 104.5 5.4 38.3 148 346 A H E < S-B 145 0A 63 -3,-0.6 -3,-2.5 -143,-0.0 2,-0.6 -0.981 73.5-125.9-135.3 149.5 103.5 2.7 35.8 149 347 A K E -B 144 0A 145 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.783 34.5-178.0 -91.4 116.8 105.0 0.6 33.0 150 348 A E E -B 143 0A 16 -7,-2.3 -7,-2.2 -2,-0.6 2,-0.2 -0.865 25.8-111.3-117.6 153.3 103.1 0.9 29.7 151 349 A R E -B 142 0A 76 -2,-0.3 81,-2.4 -9,-0.2 2,-0.3 -0.602 23.6-136.5 -87.5 142.1 103.7 -0.8 26.4 152 350 A I B -F 231 0D 5 -11,-2.4 3,-0.2 79,-0.3 79,-0.2 -0.678 5.7-153.3 -92.9 148.4 105.0 1.0 23.2 153 351 A A S S+ 0 0 62 77,-1.8 2,-0.8 -2,-0.3 3,-0.2 0.955 84.8 22.1 -86.6 -63.0 103.4 0.4 19.8 154 352 A N + 0 0 67 76,-0.6 -1,-0.2 1,-0.2 4,-0.1 -0.818 66.7 155.6-109.1 83.9 106.0 1.2 17.1 155 353 A F + 0 0 18 -2,-0.8 -127,-1.8 -3,-0.2 2,-0.4 0.696 60.3 66.8 -83.8 -18.8 109.4 0.9 19.0 156 354 A K B S-c 28 0B 84 -129,-0.2 -127,-0.2 -3,-0.2 2,-0.2 -0.826 84.0-124.5-105.0 139.9 111.3 0.2 15.8 157 355 A I - 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0 0 25 -81,-0.3 2,-0.5 -79,-0.1 -81,-0.3 -0.964 55.6-157.5-125.4 141.3 83.1 -6.6 4.3 517 715 A A - 0 0 24 -83,-1.4 4,-0.4 -2,-0.4 3,-0.1 -0.940 8.2-177.8-124.2 107.0 85.9 -5.7 6.8 518 716 A L > + 0 0 33 -2,-0.5 4,-2.2 1,-0.1 3,-0.2 0.751 66.3 80.9 -72.4 -26.6 84.9 -5.9 10.5 519 717 A G H > S+ 0 0 43 1,-0.2 4,-1.7 2,-0.2 5,-0.3 0.873 86.6 43.0 -47.4 -69.4 88.2 -4.6 11.8 520 718 A T H > S+ 0 0 60 1,-0.2 4,-1.5 2,-0.2 5,-0.5 0.777 120.1 44.9 -55.9 -31.6 88.4 -0.8 11.6 521 719 A S H >>S+ 0 0 0 -4,-0.4 5,-1.8 -3,-0.2 4,-1.2 0.910 110.4 53.8 -79.1 -39.7 84.8 -0.5 12.9 522 720 A K H <5S+ 0 0 36 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.762 122.0 29.3 -64.8 -30.2 85.4 -3.0 15.7 523 721 A L H <5S+ 0 0 53 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.704 133.1 24.6-105.5 -24.7 88.4 -1.2 17.0 524 722 A N H <5S+ 0 0 72 -4,-1.5 -3,-0.2 -5,-0.3 -2,-0.1 0.743 122.3 33.5-115.2 -30.2 87.8 2.5 16.1 525 723 A X T <5S+ 0 0 56 -4,-1.2 -128,-0.4 -5,-0.5 2,-0.3 0.780 96.8 76.1-101.3 -28.7 84.1 3.4 15.7 526 724 A L S > - 0 0 0 -2,-0.3 3,-0.8 -134,-0.2 4,-0.7 -0.597 17.6-147.2 -71.3 121.1 81.8 1.8 21.9 528 726 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.704 93.5 67.4 -63.6 -21.4 83.2 -1.3 23.7 529 727 A R H 3> S+ 0 0 11 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.869 92.5 59.4 -68.8 -33.8 80.7 -0.9 26.6 530 728 A I H <4 S+ 0 0 6 -3,-0.8 4,-0.3 1,-0.2 -1,-0.2 0.881 110.3 43.3 -60.6 -38.4 77.8 -1.7 24.2 531 729 A T H >X S+ 0 0 0 -4,-0.7 4,-2.3 2,-0.2 3,-1.0 0.907 113.0 49.7 -74.1 -43.7 79.4 -5.0 23.6 532 730 A V H 3X S+ 0 0 1 -4,-2.2 4,-1.8 1,-0.3 -2,-0.2 0.834 109.6 54.0 -65.8 -29.0 80.3 -5.7 27.3 533 731 A A H 3< S+ 0 0 7 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.603 111.7 44.6 -79.0 -15.5 76.7 -4.8 28.1 534 732 A W H <> S+ 0 0 10 -3,-1.0 4,-2.2 -4,-0.3 6,-0.4 0.732 111.7 51.9 -95.4 -35.5 75.5 -7.4 25.6 535 733 A C H <>S+ 0 0 6 -4,-2.3 5,-0.7 1,-0.2 -2,-0.2 0.845 112.4 45.1 -69.9 -35.5 78.0 -10.1 26.7 536 734 A K T <5S+ 0 0 100 -4,-1.8 -1,-0.2 3,-0.2 27,-0.2 0.648 114.4 51.5 -81.6 -18.0 77.0 -9.8 30.4 537 735 A K T 45S+ 0 0 90 -5,-0.1 -2,-0.2 1,-0.1 -3,-0.1 0.916 119.1 31.3 -83.3 -51.5 73.3 -9.8 29.4 538 736 A W T <5S- 0 0 79 -4,-2.2 -2,-0.2 2,-0.1 -1,-0.1 0.192 106.5-117.3 -96.0 15.2 73.3 -12.9 27.3 539 737 A G T 5 + 0 0 55 1,-0.2 -3,-0.2 -4,-0.2 -4,-0.1 0.675 60.8 152.6 58.4 20.8 76.0 -14.8 29.1 540 738 A V < - 0 0 2 -5,-0.7 -1,-0.2 -6,-0.4 -2,-0.1 -0.746 49.7-114.3 -83.8 118.3 78.2 -14.8 26.1 541 739 A P > - 0 0 41 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.271 13.4-130.4 -58.4 134.9 81.9 -14.9 27.2 542 740 A I G >> S+ 0 0 49 1,-0.3 4,-2.6 2,-0.2 3,-1.2 0.772 105.0 60.6 -53.3 -32.9 84.1 -11.9 26.3 543 741 A E G 34 S+ 0 0 115 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.662 93.2 65.2 -73.3 -16.6 86.9 -14.0 24.8 544 742 A K G <4 S+ 0 0 107 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.258 118.3 24.5 -87.7 8.4 84.4 -15.4 22.2 545 743 A I T <4 S+ 0 0 13 -3,-1.2 2,-0.4 1,-0.5 -2,-0.2 0.478 124.1 41.7-131.3 -62.5 84.2 -11.8 20.8 546 744 A Y S < S- 0 0 4 -4,-2.6 -1,-0.5 1,-0.1 2,-0.0 -0.820 74.0-143.2 -96.4 138.0 87.4 -9.8 21.7 547 745 A N > - 0 0 77 -2,-0.4 4,-2.5 -3,-0.1 5,-0.2 -0.137 41.4 -78.8 -84.4-170.3 90.8 -11.4 21.5 548 746 A K H > S+ 0 0 149 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.919 129.7 42.3 -58.9 -50.2 93.7 -10.8 23.9 549 747 A T H > S+ 0 0 90 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.764 115.5 49.8 -72.0 -22.1 94.9 -7.5 22.6 550 748 A Q H > S+ 0 0 18 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.900 112.4 47.0 -80.5 -39.1 91.3 -6.2 22.1 551 749 A R H < S+ 0 0 85 -4,-2.5 -2,-0.2 1,-0.2 7,-0.2 0.812 113.1 51.3 -67.3 -32.6 90.4 -7.2 25.7 552 750 A E H >< S+ 0 0 86 -4,-1.8 3,-0.6 -5,-0.2 -2,-0.2 0.857 112.4 45.2 -71.7 -38.7 93.7 -5.5 26.7 553 751 A K H 3< S+ 0 0 25 -4,-1.5 3,-0.4 1,-0.2 -2,-0.2 0.918 117.9 43.3 -70.6 -44.9 92.7 -2.3 24.8 554 752 A F T >X + 0 0 0 -4,-2.8 4,-1.8 1,-0.2 3,-1.6 -0.004 69.9 122.6 -95.9 28.6 89.2 -2.3 26.2 555 753 A A H <> S+ 0 0 35 -3,-0.6 4,-1.3 1,-0.3 5,-0.2 0.750 72.4 62.3 -61.9 -22.7 89.9 -3.2 29.9 556 754 A W H 3> S+ 0 0 0 -3,-0.4 4,-1.3 1,-0.2 -1,-0.3 0.759 106.6 44.5 -73.1 -25.4 88.1 0.1 30.8 557 755 A A H <4 S+ 0 0 0 -3,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.869 108.3 54.9 -84.3 -42.0 84.9 -1.2 29.3 558 756 A I H < S+ 0 0 42 -4,-1.8 -2,-0.2 -7,-0.2 -3,-0.1 0.813 116.9 37.4 -63.4 -31.0 85.1 -4.7 30.7 559 757 A D H < S+ 0 0 72 -4,-1.3 -2,-0.2 3,-0.0 -1,-0.2 0.934 116.3 53.1 -86.2 -52.7 85.3 -3.3 34.3 560 758 A M S < S+ 0 0 44 -4,-1.3 -552,-0.0 -5,-0.2 0, 0.0 -0.237 96.6 32.7 -77.9 169.4 83.0 -0.3 34.0 561 759 A A - 0 0 28 3,-0.0 -1,-0.1 -2,-0.0 4,-0.0 0.919 68.7-150.6 45.1 107.6 79.4 -0.4 32.7 562 760 A D > - 0 0 84 -29,-0.1 3,-1.6 -26,-0.0 -25,-0.1 0.116 43.8 -65.7 -83.9-165.0 77.3 -3.6 33.4 563 761 A E T 3 S+ 0 0 90 1,-0.3 -26,-0.1 -27,-0.2 -30,-0.0 0.715 127.1 64.6 -60.4 -23.7 74.4 -5.3 31.5 564 762 A D T 3 S+ 0 0 118 2,-0.0 2,-0.4 -27,-0.0 -1,-0.3 0.280 74.7 129.9 -85.9 10.7 72.1 -2.3 32.2 565 763 A Y < - 0 0 30 -3,-1.6 2,-0.4 -36,-0.1 -32,-0.1 -0.546 34.1-176.0 -76.7 124.7 74.3 0.0 30.0 566 764 A E 0 0 140 -2,-0.4 -2,-0.0 1,-0.2 -36,-0.0 -0.923 360.0 360.0-116.8 135.7 72.5 2.1 27.4 567 765 A F 0 0 12 -2,-0.4 -1,-0.2 -170,-0.1 -314,-0.1 0.952 360.0 360.0 -65.9 360.0 74.6 4.2 25.1