==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-APR-13 4KAY . COMPND 2 MOLECULE: YHBX/YHJW/YIJP/YJDB FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR A.VRIELINK,C.WANTY,A.ANANDAN . 665 3 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26655.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 447 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 6.9 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 58 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 6 2 2 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 0 0 4 0 2 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 6 2 0 2 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 . 6 2 0 0 0 2 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 1 211 A N 0 0 95 0, 0.0 402,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 16.2 2.1 17.8 -11.0 2 212 A I - 0 0 76 1,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.925 360.0 -98.4-127.4 151.3 5.9 17.2 -10.2 3 213 A P - 0 0 108 0, 0.0 2,-0.4 0, 0.0 90,-0.1 -0.335 27.8-133.3 -74.9 143.7 8.4 14.4 -11.2 4 214 A Y - 0 0 73 -2,-0.1 2,-0.6 90,-0.0 90,-0.2 -0.738 15.6-146.1 -90.7 137.8 9.3 11.4 -8.9 5 215 A T B -a 94 0A 74 88,-2.7 90,-1.8 -2,-0.4 2,-0.3 -0.915 3.0-152.3-108.4 115.0 13.0 10.6 -8.5 6 216 A Q - 0 0 58 -2,-0.6 2,-0.3 88,-0.2 3,-0.2 -0.676 23.4-157.8 -76.9 143.0 13.9 6.9 -8.0 7 217 A L + 0 0 31 -2,-0.3 89,-0.0 1,-0.2 87,-0.0 -0.908 53.8 11.3-125.8 152.4 17.2 6.7 -6.1 8 218 A D > + 0 0 9 -2,-0.3 3,-1.4 1,-0.1 -1,-0.2 0.889 60.1 167.8 58.1 48.7 20.0 4.3 -5.6 9 219 A M T 3 S+ 0 0 97 1,-0.3 -1,-0.1 -3,-0.2 308,-0.1 0.651 70.8 57.0 -73.5 -11.1 19.0 1.9 -8.4 10 220 A A T 3 S+ 0 0 57 306,-0.3 -1,-0.3 2,-0.0 307,-0.1 0.440 76.7 130.9 -93.8 -2.9 22.4 0.0 -8.2 11 221 A V < + 0 0 7 -3,-1.4 2,-0.3 303,-0.1 305,-0.2 -0.205 21.9 157.9 -64.5 145.5 22.2 -1.0 -4.5 12 222 A V E -B 315 0B 70 303,-1.3 303,-2.9 301,-0.1 2,-0.3 -0.896 44.1 -97.9-143.6 167.8 22.9 -4.5 -3.4 13 223 A Q E -B 314 0B 53 91,-0.6 301,-0.2 -2,-0.3 2,-0.2 -0.750 24.5-164.0 -87.3 147.7 24.0 -6.0 -0.1 14 224 A N + 0 0 110 299,-2.9 3,-0.1 -2,-0.3 300,-0.1 -0.557 21.6 168.2-127.6 65.9 27.6 -6.8 0.3 15 225 A R - 0 0 39 -2,-0.2 3,-0.1 1,-0.1 4,-0.1 -0.551 45.3 -95.3 -78.0 144.2 27.7 -9.1 3.3 16 226 A P > - 0 0 76 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.220 54.5 -85.1 -55.6 149.7 30.9 -10.9 4.1 17 227 A A T 3 S+ 0 0 108 1,-0.3 -3,-0.0 -3,-0.1 0, 0.0 -0.266 114.8 15.5 -55.6 138.7 31.1 -14.4 2.6 18 228 A G T 3 S+ 0 0 88 1,-0.2 -1,-0.3 -3,-0.1 2,-0.0 0.639 91.8 168.1 73.8 16.9 29.5 -17.1 4.8 19 229 A S < - 0 0 45 -3,-1.6 -1,-0.2 1,-0.1 3,-0.1 -0.248 35.2-119.0 -67.8 148.0 27.6 -14.5 6.9 20 230 A L - 0 0 61 1,-0.1 213,-0.1 258,-0.1 -1,-0.1 -0.376 48.6 -78.8 -70.2 159.8 24.9 -15.2 9.4 21 231 A R E -c 233 0C 19 211,-0.6 213,-3.2 -2,-0.1 2,-0.5 -0.362 44.6-142.3 -57.0 138.6 21.5 -13.7 8.9 22 232 A R E -c 234 0C 6 211,-0.2 141,-2.0 -3,-0.1 2,-0.5 -0.945 18.7-176.0-112.3 124.2 21.3 -10.1 9.9 23 233 A F E -cd 235 163C 0 211,-2.8 213,-1.8 -2,-0.5 2,-0.5 -0.972 2.5-172.9-129.5 115.1 18.0 -8.9 11.6 24 234 A V E -cd 236 164C 0 139,-2.7 141,-2.6 -2,-0.5 2,-0.5 -0.934 8.2-160.1-116.1 128.7 17.6 -5.3 12.5 25 235 A V E -cd 237 165C 0 211,-3.0 213,-2.9 -2,-0.5 2,-0.7 -0.932 2.0-161.8-109.7 125.6 14.7 -3.8 14.4 26 236 A L E -cd 238 166C 0 139,-2.6 141,-2.6 -2,-0.5 2,-0.7 -0.918 6.4-163.4-103.5 101.3 14.0 -0.1 14.2 27 237 A V E -cd 239 167C 1 211,-3.2 213,-1.7 -2,-0.7 2,-0.8 -0.826 6.2-156.5 -84.7 116.1 11.8 0.9 17.1 28 238 A V E -cd 240 168C 0 139,-2.4 141,-2.3 -2,-0.7 213,-0.2 -0.870 14.0-154.3 -97.5 106.7 10.4 4.3 16.2 29 239 A G - 0 0 0 211,-2.9 2,-0.3 -2,-0.8 213,-0.3 -0.082 1.1-140.3 -72.1 174.7 9.5 6.0 19.5 30 240 A E - 0 0 0 211,-0.2 142,-3.4 212,-0.1 143,-0.2 -0.885 65.9 -25.7-149.2 111.9 6.8 8.7 20.0 31 241 A T S S+ 0 0 0 212,-0.5 2,-0.2 -2,-0.3 140,-0.1 0.215 86.2 138.3 78.2 -14.8 6.9 11.8 22.1 32 242 A T - 0 0 0 212,-0.1 2,-0.3 180,-0.1 211,-0.2 -0.476 40.4-151.3 -66.8 130.2 9.4 10.4 24.5 33 243 A R > - 0 0 19 236,-0.2 3,-1.3 -2,-0.2 236,-0.3 -0.737 20.7-125.1-113.1 155.4 12.1 13.0 25.5 34 244 A A G > S+ 0 0 1 234,-2.5 3,-1.6 -2,-0.3 6,-0.2 0.822 102.7 65.1 -61.6 -38.1 15.7 12.9 26.5 35 245 A A G 3 S+ 0 0 53 233,-0.5 -1,-0.3 1,-0.3 234,-0.1 0.659 105.8 43.7 -67.9 -13.8 15.3 14.9 29.8 36 246 A N G < S+ 0 0 4 -3,-1.3 2,-0.6 6,-0.1 -1,-0.3 0.064 86.6 113.2-117.1 25.9 13.1 12.2 31.3 37 247 A W X > - 0 0 0 -3,-1.6 3,-1.9 1,-0.1 5,-1.2 -0.869 61.1-145.4-105.4 117.7 15.2 9.2 30.2 38 248 A G G > 5S+ 0 0 12 -2,-0.6 3,-2.3 1,-0.3 -1,-0.1 0.848 97.0 58.6 -49.6 -45.5 16.9 7.3 33.0 39 249 A L G 3 5S+ 0 0 44 1,-0.3 -1,-0.3 2,-0.2 20,-0.1 0.735 99.6 60.1 -62.9 -22.8 20.0 6.5 31.0 40 250 A N G < 5S- 0 0 43 -3,-1.9 -1,-0.3 -6,-0.2 -2,-0.2 0.422 127.7 -96.0 -82.5 2.5 20.6 10.2 30.5 41 251 A G T < 5 + 0 0 64 -3,-2.3 -3,-0.2 -4,-0.2 -2,-0.2 0.608 61.9 169.8 91.5 15.8 20.9 10.8 34.3 42 252 A Y < - 0 0 50 -5,-1.2 -1,-0.2 -8,-0.2 -6,-0.1 -0.310 47.1-115.2 -51.9 145.8 17.3 11.8 34.9 43 253 A S S S+ 0 0 115 2,-0.1 2,-0.4 3,-0.0 -1,-0.1 0.738 100.6 59.8 -66.0 -22.8 16.7 12.0 38.6 44 254 A R S S- 0 0 67 2,-0.0 2,-1.6 1,-0.0 3,-0.1 -0.860 90.5-120.4-104.2 143.2 14.2 9.1 38.4 45 255 A Q + 0 0 93 -2,-0.4 -2,-0.1 1,-0.2 -8,-0.1 -0.611 47.5 155.6 -81.1 87.0 15.0 5.7 37.0 46 256 A T S S+ 0 0 0 -2,-1.6 171,-0.4 1,-0.2 -1,-0.2 0.442 71.0 49.7 -93.2 -0.8 12.6 5.6 34.1 47 257 A T > + 0 0 0 -3,-0.1 4,-2.3 1,-0.1 -1,-0.2 -0.406 63.5 145.5-132.2 57.7 14.7 3.0 32.3 48 258 A P H > S+ 0 0 52 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.881 71.5 49.8 -67.2 -37.6 15.5 0.3 34.8 49 259 A L H > S+ 0 0 62 2,-0.2 4,-0.6 1,-0.2 -2,-0.1 0.915 116.3 42.1 -72.0 -39.9 15.5 -2.7 32.4 50 260 A L H >4 S+ 0 0 1 1,-0.2 3,-0.7 2,-0.2 4,-0.2 0.899 114.6 52.0 -68.2 -38.6 17.8 -1.0 29.9 51 261 A A H >< S+ 0 0 34 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.880 103.4 57.5 -62.7 -39.5 20.0 0.3 32.7 52 262 A A H 3< S+ 0 0 89 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.718 96.6 64.6 -66.5 -19.4 20.4 -3.1 34.3 53 263 A R T X< S- 0 0 30 -3,-0.7 3,-1.8 -4,-0.6 -1,-0.3 0.552 87.7-170.5 -81.2 -6.8 21.8 -4.3 31.0 54 264 A G G X - 0 0 39 -3,-1.8 3,-1.9 1,-0.3 -1,-0.2 -0.205 64.3 -0.3 54.6-134.0 24.8 -2.0 31.5 55 265 A D G 3 S+ 0 0 116 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.493 112.7 85.7 -74.3 -1.0 27.1 -1.7 28.5 56 266 A E G < S+ 0 0 74 -3,-1.8 219,-0.7 -6,-0.1 2,-0.5 0.701 90.2 61.7 -59.1 -23.3 25.0 -4.1 26.4 57 267 A I E < S-E 274 0C 11 -3,-1.9 2,-0.6 -7,-0.2 217,-0.2 -0.948 76.4-152.5-112.7 123.2 23.1 -0.9 25.7 58 268 A V E -E 273 0C 15 215,-2.8 215,-2.1 -2,-0.5 2,-0.4 -0.881 18.4-164.1 -93.1 118.8 24.7 2.0 23.9 59 269 A N E -E 272 0C 30 -2,-0.6 213,-0.2 213,-0.2 -2,-0.0 -0.838 12.4-153.5-110.6 142.6 23.0 5.3 25.0 60 270 A F - 0 0 0 211,-2.3 211,-0.4 -2,-0.4 3,-0.2 -0.901 8.4-174.9-118.2 100.9 23.3 8.6 23.2 61 271 A P S S+ 0 0 36 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.572 74.8 53.5 -79.8 -5.3 22.7 11.5 25.6 62 272 A Q + 0 0 89 232,-0.4 237,-2.9 235,-0.3 2,-0.4 -0.751 69.2 135.6-131.8 90.0 22.8 14.2 22.9 63 273 A V E -i 299 0D 0 206,-0.4 206,-2.0 -2,-0.4 2,-0.3 -0.998 30.9-160.2-134.2 136.3 20.4 13.6 20.1 64 274 A R E -iJ 300 268D 93 235,-1.9 237,-1.3 -2,-0.4 238,-0.2 -0.887 15.7-124.2-119.2 148.0 18.1 16.1 18.3 65 275 A S - 0 0 1 202,-2.3 178,-0.1 -2,-0.3 177,-0.1 -0.396 12.6-130.5 -82.5 163.3 15.0 15.5 16.2 66 276 A a S S+ 0 0 2 176,-0.3 2,-0.2 -2,-0.1 -1,-0.1 0.841 89.8 3.5 -77.1 -34.3 14.3 16.7 12.7 67 277 A G - 0 0 2 175,-0.5 -2,-0.1 199,-0.1 -1,-0.1 -0.783 64.2-122.9-141.0 179.6 10.8 18.1 13.7 68 278 A T S S+ 0 0 10 -2,-0.2 188,-2.6 189,-0.1 2,-0.3 0.200 93.8 56.6-113.1 9.2 8.6 18.6 16.7 69 279 A S S >> S- 0 0 29 173,-0.2 4,-3.0 186,-0.2 3,-0.8 -0.982 83.3-120.4-137.9 159.5 5.8 16.7 15.2 70 280 A X H 3> S+ 0 0 26 -2,-0.3 4,-2.3 1,-0.3 -1,-0.1 0.871 110.0 56.1 -62.2 -45.6 5.3 13.2 13.8 71 281 A A H 34 S+ 0 0 52 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.705 116.9 38.4 -68.2 -20.1 4.3 14.2 10.3 72 282 A H H <> S+ 0 0 66 -3,-0.8 4,-2.0 3,-0.1 -2,-0.2 0.874 118.2 44.6 -88.0 -57.0 7.5 16.2 10.0 73 283 A S H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 5,-0.3 0.864 108.9 53.7 -59.7 -41.2 10.0 14.0 11.8 74 284 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.970 113.5 39.5 -67.6 -50.8 9.1 10.6 10.3 75 285 A P H 4 S+ 0 0 25 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.921 118.1 50.8 -65.6 -34.2 9.3 11.5 6.7 76 286 A a H >< S+ 0 0 1 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.939 109.7 47.7 -64.3 -46.3 12.4 13.6 7.4 77 287 A M H 3< S+ 0 0 1 -4,-3.1 228,-0.3 1,-0.3 -1,-0.2 0.822 114.4 47.6 -68.8 -27.3 14.3 10.9 9.3 78 288 A F T 3< S+ 0 0 0 -4,-1.8 19,-2.8 -5,-0.3 2,-0.3 0.294 103.8 84.4 -91.9 5.8 13.5 8.3 6.6 79 289 A S S < S- 0 0 6 -3,-1.5 226,-0.3 2,-0.2 17,-0.1 -0.757 86.3-119.3-106.8 161.0 14.6 10.7 3.9 80 290 A T S S+ 0 0 34 15,-0.3 2,-0.2 -2,-0.3 -1,-0.1 0.706 86.5 100.1 -63.6 -21.1 18.0 11.6 2.4 81 291 A F - 0 0 34 -5,-0.1 -2,-0.2 6,-0.1 2,-0.2 -0.459 68.5-137.4 -73.1 140.7 17.5 15.2 3.5 82 292 A D >> - 0 0 25 -2,-0.2 3,-1.6 1,-0.1 4,-1.4 -0.554 37.1 -98.8 -82.6 158.6 19.0 16.6 6.7 83 293 A R G >4 S+ 0 0 98 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.870 121.7 54.4 -46.5 -46.0 16.8 18.8 8.8 84 294 A T G 34 S+ 0 0 116 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.733 119.2 32.5 -68.4 -21.0 18.2 22.1 7.4 85 295 A D G <4 S+ 0 0 82 -3,-1.6 -1,-0.2 2,-0.0 -2,-0.2 0.418 87.5 130.0-113.9 1.6 17.5 21.1 3.8 86 296 A Y << + 0 0 29 -4,-1.4 2,-0.4 -3,-0.6 -10,-0.1 -0.291 29.2 178.6 -61.5 136.1 14.3 19.0 4.3 87 297 A D > - 0 0 51 1,-0.1 4,-2.9 -11,-0.0 5,-0.2 -0.976 24.7-145.4-140.9 121.0 11.3 19.8 2.2 88 298 A E H > S+ 0 0 110 -2,-0.4 4,-2.0 1,-0.2 5,-0.1 0.853 99.2 47.3 -56.0 -41.5 8.2 17.8 2.5 89 299 A I H > S+ 0 0 101 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.949 113.4 47.3 -70.8 -46.0 7.3 18.0 -1.2 90 300 A K H >4 S+ 0 0 101 1,-0.2 3,-0.6 2,-0.2 -2,-0.2 0.938 113.6 49.1 -60.2 -43.2 10.7 17.0 -2.4 91 301 A A H >< S+ 0 0 14 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.864 107.5 53.9 -65.5 -34.6 10.9 14.2 0.1 92 302 A E H 3< S+ 0 0 119 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.748 106.0 56.1 -71.1 -21.8 7.4 12.8 -0.9 93 303 A H T << S+ 0 0 49 -4,-1.2 -88,-2.7 -3,-0.6 2,-0.3 0.027 103.4 55.7-105.2 28.7 8.6 12.7 -4.5 94 304 A Q B < S-a 5 0A 27 -3,-1.1 -88,-0.2 -90,-0.2 -90,-0.0 -0.981 94.1 -79.6-149.6 160.3 11.7 10.5 -4.2 95 305 A D - 0 0 7 -90,-1.8 -15,-0.3 -2,-0.3 2,-0.2 -0.251 47.1-146.8 -57.2 138.5 12.6 7.1 -2.8 96 306 A N > - 0 0 20 24,-0.1 4,-2.3 -17,-0.1 5,-0.2 -0.464 32.7 -84.9-101.6 178.8 13.0 6.9 0.9 97 307 A L H > S+ 0 0 0 -19,-2.8 4,-2.6 1,-0.2 5,-0.2 0.876 127.3 46.9 -51.6 -41.9 15.2 4.8 3.1 98 308 A L H > S+ 0 0 0 -20,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.877 107.6 54.9 -76.9 -32.7 12.9 1.8 3.1 99 309 A D H > S+ 0 0 9 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.922 113.6 44.6 -60.3 -41.4 12.3 1.9 -0.6 100 310 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.949 112.5 49.4 -69.7 -47.2 16.1 1.7 -1.1 101 311 A V H <>S+ 0 0 0 -4,-2.6 5,-1.6 -5,-0.2 4,-0.2 0.913 112.0 49.0 -56.5 -43.2 16.7 -1.0 1.6 102 312 A Q H ><5S+ 0 0 48 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.919 107.9 54.3 -66.1 -39.5 13.9 -3.1 0.0 103 313 A R H 3<5S+ 0 0 80 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.849 99.6 63.0 -63.0 -31.9 15.5 -2.7 -3.5 104 314 A A T 3<5S- 0 0 9 -4,-1.9 -91,-0.6 -92,-0.1 -1,-0.3 0.528 126.7 -99.4 -71.4 -6.9 18.8 -3.9 -2.0 105 315 A G T < 5S+ 0 0 37 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.437 77.4 139.4 104.1 1.8 17.1 -7.3 -1.3 106 316 A V < - 0 0 3 -5,-1.6 2,-0.8 55,-0.1 -1,-0.3 -0.564 57.9-119.0 -80.6 140.8 16.4 -6.8 2.4 107 317 A E E -f 163 0C 34 55,-2.6 57,-2.2 -2,-0.2 2,-0.5 -0.727 36.1-167.9 -79.7 107.3 13.0 -8.0 3.8 108 318 A V E +f 164 0C 0 -2,-0.8 2,-0.4 55,-0.2 57,-0.2 -0.844 10.2 176.9-101.7 131.9 11.4 -4.8 5.1 109 319 A T E -f 165 0C 12 55,-2.3 57,-3.1 -2,-0.5 2,-0.5 -0.999 12.6-158.9-133.6 134.8 8.3 -5.0 7.3 110 320 A W E -fg 166 126C 0 15,-2.4 17,-2.3 -2,-0.4 2,-0.5 -0.958 3.4-168.9-115.5 119.2 6.5 -2.1 9.0 111 321 A L E -fg 167 127C 6 55,-2.9 57,-2.9 -2,-0.5 2,-0.5 -0.933 14.3-156.2-108.2 123.6 4.3 -2.7 12.0 112 322 A E E +fg 168 128C 5 15,-3.0 17,-2.5 -2,-0.5 18,-0.8 -0.845 35.5 148.2-111.7 127.4 2.2 0.3 12.9 113 323 A N + 0 0 2 55,-1.9 30,-0.3 -2,-0.5 57,-0.1 0.027 62.3 78.1-135.9 24.9 0.6 1.2 16.3 114 324 A D S S- 0 0 5 55,-0.1 55,-0.1 54,-0.1 28,-0.0 -0.009 110.7 -89.7-132.5 31.7 0.8 5.1 16.2 115 325 A S S S- 0 0 73 2,-0.0 2,-0.2 -3,-0.0 342,-0.1 0.303 97.1 -8.6 79.4 -8.9 -2.2 6.2 13.9 116 326 A G - 0 0 18 52,-0.1 -3,-0.1 340,-0.1 341,-0.0 -0.567 54.1-120.0 157.1 153.6 -0.2 6.1 10.7 117 327 A b > - 0 0 20 -2,-0.2 3,-1.9 -5,-0.1 4,-0.2 0.331 49.7-125.1 -94.5 8.5 3.2 5.7 9.0 118 328 A K T 3 - 0 0 58 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.836 67.6 -56.5 58.3 38.2 3.0 9.2 7.4 119 329 A G T 3 S+ 0 0 71 1,-0.1 -1,-0.3 -45,-0.0 4,-0.2 0.474 117.8 105.7 77.6 4.6 3.6 7.9 3.8 120 330 A V S < S+ 0 0 5 -3,-1.9 3,-0.3 1,-0.2 -22,-0.1 0.842 80.0 40.4 -83.4 -31.2 6.9 6.2 4.7 121 331 A b S > S+ 0 0 4 -4,-0.2 3,-1.6 1,-0.2 -1,-0.2 0.432 78.2 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A << - 0 0 18 -3,-1.2 5,-0.1 -4,-0.9 2,-0.1 -0.319 63.4-110.7 -63.9 142.6 10.9 25.0 20.5 263 473 A P >> - 0 0 45 0, 0.0 3,-2.2 0, 0.0 4,-0.9 -0.432 27.9-108.3 -71.7 158.5 12.0 24.2 24.0 264 474 A S H 3> S+ 0 0 72 1,-0.3 4,-2.6 2,-0.2 3,-0.3 0.785 116.0 69.6 -54.7 -32.8 14.7 21.5 24.5 265 475 A G H 34 S+ 0 0 8 1,-0.2 -20,-1.5 2,-0.2 -1,-0.3 0.807 103.9 42.7 -55.4 -29.0 12.0 19.2 25.8 266 476 A Q H <4 S+ 0 0 1 -3,-2.2 -22,-2.6 -22,-0.3 -1,-0.2 0.723 122.6 34.8 -91.8 -22.4 10.6 18.9 22.3 267 477 A T H < S+ 0 0 9 -4,-0.9 -202,-2.3 -3,-0.3 2,-0.7 0.666 97.7 80.7-105.5 -21.4 13.8 18.6 20.3 268 478 A H B < +J 64 0D 41 -4,-2.6 -234,-2.5 -204,-0.2 -233,-0.5 -0.824 64.2 176.8 -95.5 116.2 16.1 16.6 22.6 269 479 A I - 0 0 0 -206,-2.0 -206,-0.4 -2,-0.7 -236,-0.2 -0.762 29.0-108.2-124.8 154.3 15.2 12.9 22.2 270 480 A P - 0 0 0 0, 0.0 -29,-1.6 0, 0.0 2,-0.3 -0.517 31.8-180.0 -82.6 152.1 16.5 9.6 23.5 271 481 A M E + H 0 240C 5 -211,-0.4 -211,-2.3 -31,-0.2 2,-0.3 -0.940 4.0 168.9-151.7 130.9 18.3 7.1 21.3 272 482 A V E -EH 59 239C 3 -33,-2.1 -33,-2.7 -2,-0.3 2,-0.3 -0.972 14.3-157.2-137.3 161.3 19.8 3.7 22.2 273 483 A M E -EH 58 238C 0 -215,-2.1 -215,-2.8 -2,-0.3 2,-0.4 -0.993 2.4-167.4-136.2 143.4 21.2 0.7 20.4 274 484 A W E -EH 57 237C 3 -37,-2.5 -37,-2.6 -2,-0.3 2,-0.4 -0.984 6.8-161.3-128.0 145.3 21.6 -3.0 21.4 275 485 A F E - H 0 236C 5 -219,-0.7 -39,-0.2 -2,-0.4 -41,-0.0 -0.987 16.4-126.0-131.3 131.4 23.7 -5.6 19.6 276 486 A S > - 0 0 2 -41,-2.8 4,-2.6 -2,-0.4 5,-0.2 -0.225 31.2-102.2 -74.1 163.0 23.4 -9.4 19.8 277 487 A K H > S+ 0 0 100 -49,-0.4 4,-1.9 1,-0.2 5,-0.1 0.905 122.4 46.2 -49.5 -48.4 26.3 -11.7 20.6 278 488 A A H > S+ 0 0 5 -45,-0.5 4,-2.5 -48,-0.3 5,-0.3 0.874 111.3 52.0 -68.3 -36.6 26.8 -12.8 17.0 279 489 A F H > S+ 0 0 0 -46,-0.4 4,-3.1 1,-0.2 6,-0.3 0.933 109.1 50.6 -61.5 -42.9 26.6 -9.2 15.8 280 490 A R H < S+ 0 0 84 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.862 115.1 43.2 -63.8 -42.2 29.3 -8.2 18.3 281 491 A Q H < S+ 0 0 143 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.910 131.4 19.4 -70.2 -42.0 31.6 -11.0 17.2 282 492 A H H < S+ 0 0 96 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.565 100.1 85.8-108.7 -14.7 31.2 -10.7 13.4 283 493 A G S < S- 0 0 11 -4,-3.1 -1,-0.1 -5,-0.3 -3,-0.1 0.501 87.3-125.2 -77.8 -7.0 29.8 -7.2 12.8 284 494 A G + 0 0 13 1,-0.2 48,-3.1 -4,-0.2 2,-0.4 0.610 58.1 142.1 80.3 11.0 33.1 -5.3 12.7 285 495 A I B -M 331 0G 3 -6,-0.3 2,-0.9 46,-0.2 -1,-0.2 -0.740 49.0-141.7 -98.8 136.4 32.3 -2.7 15.3 286 496 A D > - 0 0 76 44,-2.8 4,-2.1 -2,-0.4 5,-0.1 -0.809 19.2-168.5 -87.7 101.3 34.8 -1.3 17.8 287 497 A F H > S+ 0 0 59 -2,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.783 82.2 53.8 -73.3 -27.1 32.5 -1.0 20.9 288 498 A Q H > S+ 0 0 136 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.932 110.8 49.3 -67.1 -45.7 34.8 1.0 23.1 289 499 A e H > S+ 0 0 22 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.922 112.7 48.0 -53.0 -47.0 35.1 3.5 20.2 290 500 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.906 108.1 53.0 -66.0 -41.5 31.3 3.5 19.9 291 501 A K H X S+ 0 0 94 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.905 111.8 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4,-0.6 0.712 118.4 77.2 -55.9 -24.5 17.7 12.2 12.9 302 512 A D G 34 S+ 0 0 29 1,-0.3 4,-0.5 -238,-0.2 3,-0.3 0.832 90.7 53.8 -57.3 -31.8 20.1 13.3 10.1 303 513 A H G <> S+ 0 0 26 -3,-1.5 4,-1.7 1,-0.2 23,-0.4 0.624 89.5 81.1 -75.7 -12.7 22.2 10.3 11.1 304 514 A Y H <> S+ 0 0 7 -3,-1.6 4,-2.3 -4,-0.3 5,-0.3 0.939 85.0 54.8 -62.2 -50.6 19.4 7.8 10.8 305 515 A F H X S+ 0 0 6 -4,-0.6 4,-1.9 -228,-0.3 -1,-0.2 0.927 115.8 33.6 -52.6 -57.3 19.4 7.3 7.0 306 516 A S H > S+ 0 0 1 -4,-0.5 4,-2.3 18,-0.3 -1,-0.2 0.782 112.9 60.9 -77.2 -26.3 23.0 6.3 6.6 307 517 A T H X S+ 0 0 0 -4,-1.7 4,-1.7 17,-0.4 -1,-0.2 0.932 108.1 45.2 -61.9 -43.4 23.3 4.4 9.9 308 518 A V H X S+ 0 0 1 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.929 112.1 50.2 -68.3 -43.6 20.5 2.1 8.7 309 519 A L H ><>S+ 0 0 0 -4,-1.9 5,-1.8 -5,-0.3 3,-1.1 0.934 110.9 51.0 -57.4 -44.4 22.0 1.6 5.3 310 520 A G H ><5S+ 0 0 7 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.839 102.3 60.6 -62.2 -34.5 25.3 0.8 7.0 311 521 A L H 3<5S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.678 107.0 46.0 -66.0 -19.5 23.6 -1.8 9.3 312 522 A M T <<5S- 0 0 1 -3,-1.1 -1,-0.2 -4,-0.8 -298,-0.2 0.366 109.8-119.4-103.6 5.3 22.6 -3.8 6.2 313 523 A D T < 5 - 0 0 40 -3,-1.1 -299,-2.9 -4,-0.3 2,-0.4 0.886 46.5-179.6 57.3 40.9 26.0 -3.7 4.5 314 524 A I E < -B 13 0B 16 -5,-1.8 3,-0.3 -301,-0.2 -301,-0.2 -0.608 3.7-171.0 -79.4 121.1 24.3 -1.9 1.6 315 525 A S E +B 12 0B 26 -303,-2.9 -303,-1.3 -2,-0.4 3,-0.1 -0.682 55.3 36.7-109.2 167.4 26.8 -1.2 -1.2 316 526 A N S S+ 0 0 100 1,-0.2 2,-0.4 -2,-0.2 -306,-0.3 0.800 77.9 147.7 61.8 32.7 26.8 0.8 -4.4 317 527 A S - 0 0 23 -3,-0.3 -1,-0.2 1,-0.1 -308,-0.0 -0.809 37.5-168.3 -95.0 137.9 24.6 3.6 -2.9 318 528 A Q S S+ 0 0 144 -2,-0.4 -1,-0.1 -3,-0.1 -2,-0.0 0.674 89.1 56.1 -91.0 -21.5 25.0 7.2 -3.9 319 529 A T S S+ 0 0 25 2,-0.0 -1,-0.1 -14,-0.0 -13,-0.1 0.759 83.6 103.5 -81.6 -25.8 22.8 8.4 -1.0 320 530 A Y - 0 0 67 -15,-0.1 2,-0.5 1,-0.1 3,-0.1 -0.320 52.7-165.9 -59.2 134.7 24.9 6.8 1.7 321 531 A R > - 0 0 68 1,-0.1 3,-2.1 -2,-0.1 4,-0.3 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8.4 -12.4 628 504 B A H < S+ 0 0 2 -4,-2.8 -232,-0.4 1,-0.2 -1,-0.2 0.901 115.0 43.2 -59.1 -39.4 -27.9 7.9 -13.7 629 505 B A H < S+ 0 0 55 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.871 123.0 35.0 -74.3 -36.8 -29.0 9.7 -17.0 630 506 B E H < S+ 0 0 123 -4,-2.5 2,-0.2 -5,-0.1 -2,-0.2 0.647 104.1 70.6 -95.3 -18.9 -30.9 12.6 -15.4 631 507 B N < - 0 0 60 -4,-2.2 2,-0.4 -5,-0.2 -235,-0.4 -0.594 68.2-127.2-108.7 160.2 -29.2 13.5 -12.1 632 508 B E + 0 0 156 -2,-0.2 2,-0.2 -237,-0.1 -235,-0.2 -0.903 32.6 176.4-103.4 134.6 -26.0 15.1 -11.1 633 509 B Y E -v 397 0K 20 -237,-2.6 -235,-2.0 -2,-0.4 2,-0.3 -0.754 7.7-175.3-129.3 179.0 -23.7 13.3 -8.7 634 510 B S E > -v 398 0K 23 -237,-0.3 3,-1.5 -2,-0.2 4,-0.2 -0.906 51.6 -76.8-159.6 176.3 -20.3 13.8 -7.1 635 511 B H G >> S+ 0 0 5 -237,-1.4 3,-1.6 -2,-0.3 4,-0.6 0.709 117.9 77.9 -53.9 -24.2 -17.7 12.2 -4.8 636 512 B D G 34 S+ 0 0 26 1,-0.3 4,-0.5 -238,-0.2 3,-0.3 0.833 89.8 54.1 -57.6 -30.7 -20.1 13.2 -2.0 637 513 B H G <> S+ 0 0 27 -3,-1.5 4,-1.7 1,-0.2 23,-0.4 0.609 89.5 81.4 -78.0 -10.6 -22.3 10.2 -3.0 638 514 B Y H <> S+ 0 0 7 -3,-1.6 4,-2.3 -4,-0.2 5,-0.2 0.939 84.8 53.9 -64.4 -51.4 -19.4 7.8 -2.7 639 515 B F H X S+ 0 0 7 -4,-0.6 4,-2.0 -3,-0.3 -1,-0.2 0.929 116.5 34.2 -51.8 -57.1 -19.4 7.3 1.1 640 516 B S H > S+ 0 0 1 -4,-0.5 4,-2.5 18,-0.3 -1,-0.2 0.804 113.0 60.0 -76.6 -27.6 -23.0 6.2 1.5 641 517 B T H X S+ 0 0 0 -4,-1.7 4,-1.7 17,-0.5 -1,-0.2 0.919 108.5 45.7 -63.1 -41.6 -23.2 4.4 -1.8 642 518 B V H X S+ 0 0 1 -4,-2.3 4,-0.8 -5,-0.2 -2,-0.2 0.937 111.9 49.7 -69.8 -44.6 -20.5 2.1 -0.6 643 519 B L H ><>S+ 0 0 0 -4,-2.0 5,-1.8 -5,-0.2 3,-1.1 0.930 110.8 51.5 -55.4 -44.4 -22.0 1.6 2.8 644 520 B G H ><5S+ 0 0 6 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.836 102.0 60.9 -62.3 -33.9 -25.3 0.8 1.1 645 521 B L H 3<5S+ 0 0 1 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.676 106.9 45.7 -67.4 -18.6 -23.6 -1.8 -1.2 646 522 B M T <<5S- 0 0 1 -3,-1.1 -298,-0.2 -4,-0.8 -1,-0.2 0.367 109.4-119.9-104.6 5.7 -22.6 -3.8 1.9 647 523 B D T < 5 + 0 0 40 -3,-1.1 -299,-3.1 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-3,-0.1 6,-0.1 0.700 107.5 48.0 -72.9 -14.7 -30.3 10.6 0.3 658 534 B M G < S+ 0 0 28 -3,-1.9 2,-0.7 -22,-0.1 -17,-0.5 0.257 87.4 97.0-107.2 10.1 -26.6 10.4 -0.6 659 535 B D X> - 0 0 5 -3,-1.5 3,-1.2 -4,-0.3 4,-0.7 -0.888 66.2-152.7 -97.7 110.3 -26.7 6.7 -1.5 660 536 B I T 34 S+ 0 0 5 -2,-0.7 3,-0.4 -23,-0.4 4,-0.2 0.855 91.9 44.7 -52.2 -40.3 -27.1 6.6 -5.3 661 537 B L T >4 S+ 0 0 0 1,-0.2 3,-1.6 2,-0.1 -1,-0.3 0.664 92.7 79.9 -80.6 -20.4 -28.8 3.2 -5.2 662 538 B A G X4 S+ 0 0 9 -3,-1.2 3,-1.5 1,-0.3 -1,-0.2 0.837 85.6 59.3 -64.4 -33.3 -31.2 3.8 -2.3 663 539 B A G 3< S+ 0 0 68 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.1 0.710 115.9 37.1 -65.9 -16.5 -33.7 5.8 -4.4 664 540 B j G < S+ 0 0 4 -3,-1.6 -44,-2.7 -4,-0.2 2,-0.6 0.161 91.9 111.4-116.7 13.5 -34.0 2.6 -6.5 665 541 B R B < -Z 619 0N 63 -3,-1.5 -46,-0.2 -46,-0.2 -47,-0.1 -0.832 65.6-128.1 -99.2 126.3 -33.7 0.1 -3.7 666 542 B R 0 0 139 -48,-3.2 -2,-0.1 -2,-0.6 -1,-0.0 -0.211 360.0 360.0 -76.3 153.0 -36.9 -1.9 -3.0 667 543 B P 0 0 182 0, 0.0 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