==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 30-JUL-98 2KTQ . COMPND 2 MOLECULE: DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*DOC)- . SOURCE 2 SYNTHETIC: YES; . AUTHOR Y.LI,G.WAKSMAN . 527 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23253.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 28 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 3.2 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 4 2 2 2 3 1 2 1 0 1 1 0 0 2 1 0 0 0 0 0 0 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 3 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 1 295 A E 0 0 99 0, 0.0 37,-3.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 114.7 -26.6 72.3 4.4 2 296 A E E +a 38 0A 88 35,-0.2 37,-0.2 37,-0.1 35,-0.0 -0.473 360.0 177.4 -69.9 125.7 -23.0 73.1 5.4 3 297 A A E -a 39 0A 28 35,-2.5 37,-0.7 -2,-0.3 -1,-0.0 -0.905 39.5 -77.7-127.3 154.8 -22.2 72.8 9.1 4 298 A P E -a 40 0A 108 0, 0.0 37,-0.1 0, 0.0 -1,-0.1 -0.170 57.1 -95.2 -51.7 141.2 -19.0 73.3 11.1 5 299 A W S S+ 0 0 16 35,-0.6 36,-0.1 34,-0.1 34,-0.1 0.705 102.2 88.3 -26.7 -61.4 -16.5 70.3 10.9 6 300 A P - 0 0 94 0, 0.0 34,-0.1 0, 0.0 3,-0.1 -0.240 68.9-164.3 -50.4 101.3 -17.5 68.4 14.1 7 301 A P - 0 0 30 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.501 25.5 -96.3 -87.3 161.2 -20.3 66.2 12.7 8 302 A P > - 0 0 69 0, 0.0 3,-0.8 0, 0.0 25,-0.0 -0.347 54.5 -84.8 -70.4 157.5 -22.8 64.4 14.9 9 303 A E T 3 S+ 0 0 190 1,-0.2 42,-0.0 -3,-0.1 0, 0.0 -0.252 114.6 40.5 -59.7 151.0 -21.9 60.8 15.7 10 304 A G T 3 S+ 0 0 38 1,-0.2 -1,-0.2 43,-0.1 2,-0.0 0.588 82.0 149.4 85.8 10.6 -23.1 58.3 13.1 11 305 A A < - 0 0 17 -3,-0.8 2,-0.5 23,-0.1 44,-0.3 -0.287 48.2-118.0 -74.3 161.7 -22.1 60.5 10.1 12 306 A F E -B 33 0A 16 21,-2.6 21,-2.1 42,-0.1 44,-0.2 -0.888 30.8-128.8-103.1 128.2 -21.0 59.2 6.8 13 307 A V E -B 32 0A 5 42,-3.0 44,-0.3 -2,-0.5 102,-0.3 -0.091 21.2-173.5 -70.9 173.7 -17.4 60.1 5.7 14 308 A G E +B 31 0A 3 17,-1.2 17,-2.6 42,-0.1 2,-0.3 -0.724 16.0 166.7-167.9 110.9 -16.3 61.5 2.5 15 309 A F E -B 30 0A 16 15,-0.2 2,-0.4 -2,-0.2 15,-0.2 -0.937 26.1-146.8-136.0 158.2 -12.6 61.9 1.7 16 310 A V E -B 29 0A 18 13,-1.9 13,-1.7 -2,-0.3 12,-1.4 -0.992 15.3-162.9-126.0 127.8 -10.2 62.7 -1.2 17 311 A L E -B 27 0A 29 -2,-0.4 10,-0.2 10,-0.2 3,-0.0 -0.769 27.6-127.3-106.3 154.1 -6.7 61.1 -1.4 18 312 A S S S+ 0 0 65 8,-1.6 2,-0.3 -2,-0.3 9,-0.1 0.736 93.4 7.5 -71.9 -21.0 -3.9 62.4 -3.6 19 313 A R S S- 0 0 117 7,-0.2 6,-0.1 2,-0.1 5,-0.1 -0.942 81.6 -98.3-151.6 172.9 -3.6 58.8 -5.0 20 314 A K S S+ 0 0 137 -2,-0.3 -1,-0.1 4,-0.1 5,-0.1 0.854 99.1 75.0 -65.8 -39.1 -5.2 55.3 -4.9 21 315 A E >> - 0 0 13 1,-0.2 3,-2.0 2,-0.1 4,-1.7 -0.687 66.0-158.1 -82.6 114.1 -3.0 53.7 -2.3 22 316 A P T 34 S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 46,-0.1 0.694 93.0 61.6 -61.5 -20.2 -4.0 55.0 1.2 23 317 A M T 34 S+ 0 0 7 1,-0.2 -2,-0.1 244,-0.1 -3,-0.0 0.521 118.8 26.2 -84.2 -7.1 -0.5 54.0 2.4 24 318 A W T <4 S+ 0 0 80 -3,-2.0 -1,-0.2 -5,-0.1 -4,-0.1 0.392 105.0 102.4-129.5 -8.6 1.0 56.4 -0.0 25 319 A A < - 0 0 4 -4,-1.7 2,-0.4 -6,-0.1 -5,-0.1 -0.252 64.3-130.8 -79.0 165.2 -1.8 58.9 -0.4 26 320 A D - 0 0 73 -2,-0.0 2,-1.7 -7,-0.0 -8,-1.6 -0.951 23.3-121.3-115.7 134.7 -2.2 62.3 1.2 27 321 A L E +B 17 0A 4 -2,-0.4 18,-0.3 -10,-0.2 -10,-0.2 -0.612 40.3 169.3 -77.3 87.5 -5.5 63.1 2.9 28 322 A L E + 0 0 101 -2,-1.7 2,-0.3 -12,-1.4 -1,-0.2 0.911 62.9 4.6 -67.5 -44.2 -6.4 66.1 0.7 29 323 A A E -B 16 0A 30 -13,-1.7 -13,-1.9 -3,-0.2 2,-0.3 -0.982 55.6-171.5-145.4 156.0 -10.0 66.4 2.1 30 324 A L E +B 15 0A 2 11,-0.4 11,-2.4 -2,-0.3 2,-0.3 -0.984 14.9 162.6-147.6 132.7 -12.3 65.0 4.7 31 325 A A E -BC 14 40A 0 -17,-2.6 -17,-1.2 -2,-0.3 2,-0.3 -0.920 18.9-150.4-144.5 168.0 -16.1 65.6 5.1 32 326 A A E -BC 13 39A 0 7,-2.4 7,-2.3 -2,-0.3 2,-0.4 -0.991 3.6-155.8-143.5 147.7 -19.0 63.9 6.9 33 327 A A E +BC 12 38A 0 -21,-2.1 -21,-2.6 -2,-0.3 2,-0.3 -0.991 18.5 163.5-131.4 127.5 -22.7 63.8 6.2 34 328 A R E > - C 0 37A 15 3,-1.6 3,-1.7 -2,-0.4 2,-1.4 -0.997 63.5 -24.9-142.4 144.1 -25.5 63.2 8.7 35 329 A G T 3 S- 0 0 72 -2,-0.3 3,-0.0 1,-0.3 -2,-0.0 -0.346 124.1 -42.1 57.6 -91.2 -29.2 63.8 8.7 36 330 A G T 3 S+ 0 0 60 -2,-1.4 -1,-0.3 -35,-0.1 2,-0.2 0.388 115.9 91.9-145.9 -8.2 -29.2 66.5 6.1 37 331 A R E < - C 0 34A 28 -3,-1.7 -3,-1.6 -35,-0.0 2,-0.4 -0.513 60.0-143.7 -91.7 161.6 -26.3 68.7 7.0 38 332 A V E -aC 2 33A 19 -37,-3.4 -35,-2.5 -5,-0.2 2,-0.5 -0.975 10.4-164.9-131.0 119.6 -22.7 68.4 5.6 39 333 A H E -aC 3 32A 15 -7,-2.3 -7,-2.4 -2,-0.4 2,-0.4 -0.900 2.9-163.4-108.6 126.6 -19.6 69.1 7.7 40 334 A R E -aC 4 31A 104 -37,-0.7 -35,-0.6 -2,-0.5 -9,-0.2 -0.857 18.4-129.4-107.6 140.2 -16.2 69.7 6.2 41 335 A A - 0 0 11 -11,-2.4 -11,-0.4 -2,-0.4 4,-0.1 -0.766 5.5-154.0 -89.2 126.1 -13.0 69.5 8.2 42 336 A P S S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.761 96.2 33.6 -68.6 -22.5 -10.7 72.5 7.6 43 337 A E S > S- 0 0 78 1,-0.1 4,-2.2 -13,-0.1 5,-0.1 -0.803 75.6-167.2-135.6 89.2 -7.8 70.2 8.6 44 338 A P H > S+ 0 0 18 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.855 83.0 50.0 -41.2 -57.9 -8.4 66.6 7.4 45 339 A Y H > S+ 0 0 59 -18,-0.3 4,-0.5 1,-0.2 3,-0.4 0.947 114.8 41.1 -53.5 -57.8 -5.6 64.9 9.3 46 340 A K H >4 S+ 0 0 47 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.844 109.9 64.2 -60.3 -31.6 -6.4 66.4 12.7 47 341 A A H >X S+ 0 0 0 -4,-2.2 3,-3.8 1,-0.3 4,-0.5 0.922 87.0 67.2 -57.6 -47.1 -10.0 65.8 11.9 48 342 A L H >< S+ 0 0 2 -4,-2.0 3,-0.8 -3,-0.4 -1,-0.3 0.763 88.8 68.2 -46.0 -28.6 -9.6 62.0 11.8 49 343 A R T << S+ 0 0 125 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.534 96.2 56.9 -70.8 -4.8 -9.0 62.3 15.5 50 344 A D T <4 S+ 0 0 97 -3,-3.8 2,-0.2 -4,-0.1 -1,-0.2 0.688 89.0 83.3 -99.1 -23.7 -12.7 63.2 15.8 51 345 A L << - 0 0 30 -3,-0.8 3,-0.1 -4,-0.5 22,-0.1 -0.594 58.1-159.1 -84.7 145.0 -14.3 60.2 14.2 52 346 A K S S- 0 0 77 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.526 79.0 -4.5 -96.4 -8.9 -14.9 57.0 16.1 53 347 A E S S- 0 0 90 20,-0.2 2,-0.9 2,-0.0 -1,-0.3 -0.926 74.8-100.9-176.5 153.7 -15.1 54.9 12.9 54 348 A A B +d 75 0B 0 20,-3.2 22,-4.3 -2,-0.3 2,-0.6 -0.764 40.8 178.7 -90.2 105.9 -15.0 55.2 9.2 55 349 A R + 0 0 54 -2,-0.9 -42,-3.0 -44,-0.3 2,-0.3 -0.908 42.7 39.5-111.7 108.1 -18.6 55.0 7.9 56 350 A G S > S- 0 0 0 21,-2.9 3,-1.3 -2,-0.6 24,-0.1 -0.952 94.9 -10.2 151.2-171.7 -19.1 55.3 4.2 57 351 A L T 3 S- 0 0 7 -44,-0.3 58,-0.1 -2,-0.3 21,-0.1 -0.324 128.4 -1.0 -60.1 135.4 -17.7 54.4 0.7 58 352 A L T 3> S+ 0 0 52 3,-0.1 4,-1.4 1,-0.1 3,-0.4 0.871 81.4 161.8 50.6 41.9 -14.2 52.8 0.9 59 353 A A H <> + 0 0 1 -3,-1.3 4,-2.1 1,-0.2 3,-0.3 0.948 67.5 58.4 -55.4 -51.3 -14.2 53.2 4.7 60 354 A K H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.837 101.6 56.2 -47.9 -40.2 -11.4 50.7 5.1 61 355 A D H > S+ 0 0 15 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.950 109.5 42.7 -60.6 -51.6 -9.1 52.8 2.8 62 356 A L H X S+ 0 0 0 -4,-1.4 4,-1.4 -3,-0.3 -1,-0.2 0.829 114.3 54.6 -63.9 -28.6 -9.4 55.9 5.0 63 357 A S H X S+ 0 0 2 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.853 104.0 53.5 -71.8 -36.2 -9.0 53.6 7.9 64 358 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.950 110.1 47.7 -62.5 -47.7 -5.8 52.2 6.5 65 359 A L H X S+ 0 0 0 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.799 109.5 53.6 -63.1 -31.7 -4.5 55.8 6.2 66 360 A A H ><>S+ 0 0 0 -4,-1.4 5,-3.0 2,-0.2 3,-0.8 0.933 108.6 50.0 -68.2 -45.2 -5.6 56.5 9.8 67 361 A L H ><5S+ 0 0 32 -4,-2.5 3,-2.7 1,-0.3 -2,-0.2 0.939 106.1 53.9 -58.4 -48.1 -3.7 53.5 10.9 68 362 A R H 3<5S+ 0 0 46 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.750 108.9 51.3 -60.7 -19.3 -0.5 54.6 9.1 69 363 A E T <<5S- 0 0 53 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.248 128.0-100.5 -98.9 10.8 -0.9 57.9 11.0 70 364 A G T < 5S+ 0 0 71 -3,-2.7 2,-0.5 1,-0.2 -3,-0.2 0.689 79.8 133.6 80.7 20.0 -1.2 56.0 14.3 71 365 A L < - 0 0 27 -5,-3.0 -1,-0.2 -8,-0.1 -2,-0.2 -0.893 50.9-149.9-108.1 131.5 -5.0 56.2 14.6 72 366 A G + 0 0 61 -2,-0.5 -5,-0.1 -5,-0.1 -1,-0.1 0.599 42.3 150.6 -72.0 -11.0 -7.1 53.2 15.6 73 367 A L - 0 0 11 -22,-0.1 -6,-0.2 -7,-0.1 -20,-0.2 0.120 36.0-149.1 -26.3 103.0 -10.1 54.6 13.6 74 368 A P - 0 0 60 0, 0.0 -20,-3.2 0, 0.0 2,-0.2 -0.547 11.6-115.3 -86.0 147.6 -11.9 51.4 12.5 75 369 A P B +d 54 0B 13 0, 0.0 -20,-0.2 0, 0.0 2,-0.1 -0.542 39.5 171.4 -79.3 146.0 -13.9 51.1 9.2 76 370 A G + 0 0 4 -22,-4.3 -16,-0.2 1,-0.4 -17,-0.2 -0.189 44.9 5.0-126.0-141.1 -17.6 50.6 9.4 77 371 A D - 0 0 17 -2,-0.1 -21,-2.9 -22,-0.1 -1,-0.4 -0.117 58.5-179.8 -47.3 139.8 -20.6 50.5 7.1 78 372 A D >> - 0 0 13 -23,-0.2 3,-2.4 -3,-0.1 4,-1.0 -0.828 25.7-148.3-149.2 104.5 -19.6 50.9 3.5 79 373 A P H 3> S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.741 95.0 70.6 -44.6 -27.8 -22.3 50.9 0.8 80 374 A M H 3> S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.884 98.4 48.5 -59.9 -37.3 -19.8 49.2 -1.6 81 375 A L H <> S+ 0 0 4 -3,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.846 110.7 51.2 -69.9 -35.8 -20.0 46.0 0.4 82 376 A L H X S+ 0 0 1 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.973 114.8 41.6 -64.6 -55.4 -23.8 46.2 0.3 83 377 A A H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 7,-0.3 0.897 112.1 56.5 -58.9 -42.6 -23.9 46.7 -3.5 84 378 A Y H < S+ 0 0 1 -4,-2.6 6,-0.2 -5,-0.3 -1,-0.2 0.927 109.7 44.5 -56.1 -47.5 -21.2 44.0 -3.9 85 379 A L H < S+ 0 0 2 -4,-2.2 339,-0.5 1,-0.2 -1,-0.2 0.820 113.5 50.1 -68.5 -32.1 -23.3 41.4 -2.0 86 380 A L H < S+ 0 0 19 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.907 137.5 2.4 -71.1 -38.6 -26.4 42.4 -3.9 87 381 A D >< - 0 0 19 -4,-3.0 3,-2.8 -5,-0.2 -1,-0.3 -0.850 64.1-152.4-152.0 107.7 -24.5 42.1 -7.2 88 382 A P T 3 S+ 0 0 4 0, 0.0 190,-0.1 0, 0.0 -4,-0.1 0.519 95.2 70.3 -60.4 -3.6 -20.8 41.0 -7.2 89 383 A S T 3 S+ 0 0 79 -6,-0.2 2,-1.4 -5,-0.1 3,-0.2 0.493 71.3 98.4 -90.7 -3.8 -20.3 43.0 -10.4 90 384 A N < + 0 0 8 -3,-2.8 -3,-0.1 -7,-0.3 -1,-0.1 -0.704 44.5 141.5 -82.4 92.3 -20.7 46.2 -8.3 91 385 A T + 0 0 63 -2,-1.4 -1,-0.2 183,-0.1 182,-0.2 0.561 47.2 52.6-115.4 -10.4 -16.9 46.8 -8.0 92 386 A T > - 0 0 54 -3,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.923 68.9-130.5-129.6 153.6 -16.4 50.6 -8.3 93 387 A P H > S+ 0 0 16 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.854 111.1 59.9 -66.8 -32.2 -17.7 53.7 -6.5 94 388 A E H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 10,-0.3 0.965 111.6 37.9 -57.2 -54.0 -18.3 55.1 -9.9 95 389 A G H > S+ 0 0 32 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.911 114.9 49.6 -66.7 -48.4 -20.6 52.3 -10.9 96 390 A V H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.917 113.9 50.5 -59.1 -39.7 -22.5 51.8 -7.6 97 391 A A H >X>S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.3 5,-1.0 0.981 112.5 42.0 -61.6 -61.5 -23.1 55.5 -7.5 98 392 A R H 3<5S+ 0 0 81 -4,-2.4 3,-0.2 1,-0.3 -1,-0.2 0.883 119.5 48.7 -54.2 -37.7 -24.5 55.9 -11.0 99 393 A R H 3<5S+ 0 0 123 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.688 121.1 30.6 -79.1 -19.2 -26.4 52.7 -10.5 100 394 A Y H <<5S- 0 0 16 -4,-1.6 -2,-0.2 -3,-0.9 -1,-0.2 0.320 128.4 -58.7-127.2 14.4 -27.9 53.5 -7.1 101 395 A G T <5S+ 0 0 41 -4,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.825 96.0 40.9 116.4 52.6 -28.4 57.3 -6.9 102 396 A G < - 0 0 29 -5,-1.0 2,-0.4 -4,-0.1 -1,-0.3 -0.994 67.7 -93.6 171.6-171.7 -25.5 59.6 -7.3 103 397 A E - 0 0 152 -2,-0.3 2,-1.2 7,-0.2 -9,-0.1 -0.978 28.4-128.5-139.1 121.8 -22.2 60.6 -9.0 104 398 A W + 0 0 41 -2,-0.4 2,-0.1 -10,-0.3 7,-0.1 -0.576 47.3 168.3 -69.9 100.0 -18.8 59.6 -7.8 105 399 A T - 0 0 26 -2,-1.2 -1,-0.0 2,-0.2 -11,-0.0 -0.174 46.4-109.5 -99.7-164.4 -17.2 63.1 -7.8 106 400 A E S S+ 0 0 134 -2,-0.1 2,-0.5 -90,-0.1 3,-0.1 0.173 81.3 104.6-115.4 15.1 -14.0 64.4 -6.4 107 401 A E > - 0 0 58 1,-0.1 4,-2.2 -92,-0.0 5,-0.2 -0.877 62.9-146.3-103.7 125.5 -15.4 66.5 -3.6 108 402 A A H > S+ 0 0 3 -2,-0.5 4,-2.1 1,-0.2 -77,-0.3 0.860 100.3 50.0 -52.5 -40.9 -15.1 65.1 -0.0 109 403 A G H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.947 111.4 45.3 -65.6 -50.7 -18.4 66.7 0.9 110 404 A E H > S+ 0 0 96 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.785 112.0 54.7 -63.8 -28.2 -20.4 65.3 -2.0 111 405 A R H X S+ 0 0 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S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.859 92.6 71.6 -66.7 -31.7 -13.5 41.6 7.7 144 438 A S H 3X S+ 0 0 4 -4,-1.8 4,-1.1 -3,-0.4 -1,-0.2 0.797 99.9 48.6 -54.0 -27.0 -13.2 45.0 6.2 145 439 A A H + 0 0 61 145,-3.5 4,-2.1 -2,-0.4 5,-0.2 -0.569 36.9 172.2 -81.1 82.3 14.9 41.3 1.8 159 453 A V H > S+ 0 0 41 -2,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.862 74.9 49.0 -60.8 -43.9 15.7 44.3 -0.5 160 454 A A H > S+ 0 0 75 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.841 110.0 56.6 -67.6 -29.5 19.4 43.9 -0.7 161 455 A Y H > S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 3,-0.3 0.982 107.9 43.6 -63.1 -58.7 18.8 40.3 -1.5 162 456 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.802 110.0 57.3 -57.3 -33.6 16.6 41.0 -4.6 163 457 A R H X S+ 0 0 117 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.930 108.2 46.6 -63.5 -44.8 19.0 43.6 -5.8 164 458 A A H X S+ 0 0 62 -4,-1.7 4,-1.5 -3,-0.3 -2,-0.2 0.890 111.0 53.5 -62.8 -39.3 21.7 41.0 -5.8 165 459 A L H X S+ 0 0 4 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.902 102.4 59.5 -61.8 -42.5 19.3 38.7 -7.6 166 460 A S H X S+ 0 0 14 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X S+ 0 0 6 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.968 114.3 41.3 -67.9 -57.2 19.7 33.6 -23.4 177 471 A E H X S+ 0 0 64 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.861 112.9 56.8 -61.9 -32.7 18.7 36.4 -25.7 178 472 A A H X S+ 0 0 56 -4,-1.6 4,-1.1 -5,-0.3 -1,-0.2 0.900 109.8 46.7 -62.6 -40.7 22.2 36.4 -27.1 179 473 A E H X S+ 0 0 62 -4,-1.6 4,-1.4 2,-0.2 3,-0.4 0.938 110.6 48.4 -68.0 -50.5 21.7 32.7 -28.0 180 474 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.897 107.6 56.9 -60.3 -38.6 18.3 33.0 -29.6 181 475 A F H X>S+ 0 0 38 -4,-2.1 5,-1.8 1,-0.3 4,-0.6 0.853 106.4 49.8 -59.5 -36.1 19.4 35.9 -31.8 182 476 A R H <5S+ 0 0 158 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.790 111.2 50.2 -71.8 -29.3 22.2 33.7 -33.1 183 477 A L H <5S+ 0 0 42 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.827 111.4 46.0 -78.7 -32.8 19.7 31.0 -33.8 184 478 A A H <5S- 0 0 14 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.624 113.7-123.4 -82.2 -12.6 17.3 33.4 -35.6 185 479 A G T <5S+ 0 0 63 -4,-0.6 -3,-0.2 -5,-0.3 -4,-0.1 0.566 84.1 35.3 81.7 9.2 20.4 34.6 -37.4 186 480 A H S - 0 0 77 -2,-0.3 3,-1.7 1,-0.2 7,-0.2 -0.621 42.9-172.0 -76.7 100.4 12.9 42.6 -29.9 190 484 A L T 3 S+ 0 0 5 -2,-1.2 -1,-0.2 1,-0.3 6,-0.0 0.548 84.6 63.6 -67.9 -7.7 12.4 39.2 -28.1 191 485 A N T 3 S+ 0 0 114 1,-0.1 2,-0.8 -3,-0.0 -1,-0.3 0.617 85.9 87.6 -89.3 -14.4 9.9 41.0 -25.9 192 486 A S <> - 0 0 29 -3,-1.7 4,-2.4 1,-0.2 5,-0.2 -0.775 60.5-166.3 -90.5 110.4 7.7 41.7 -28.9 193 487 A R H > S+ 0 0 68 -2,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.881 91.6 53.5 -61.7 -38.8 5.3 38.8 -29.6 194 488 A D H > S+ 0 0 53 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.926 111.4 44.8 -61.7 -46.0 4.6 40.2 -33.0 195 489 A Q H > S+ 0 0 69 1,-0.2 4,-1.1 -6,-0.2 -2,-0.2 0.855 114.4 49.4 -67.1 -35.3 8.3 40.3 -33.9 196 490 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 -7,-0.2 -1,-0.2 0.821 104.5 59.1 -72.8 -31.2 8.8 36.8 -32.4 197 491 A E H X>S+ 0 0 13 -4,-2.3 4,-2.4 1,-0.2 5,-1.0 0.887 105.0 49.5 -64.4 -39.8 5.9 35.4 -34.4 198 492 A R H <>S+ 0 0 122 -4,-1.4 5,-4.5 3,-0.2 6,-0.3 0.847 111.8 49.3 -67.6 -35.4 7.5 36.4 -37.7 199 493 A V H <>S+ 0 0 1 -4,-1.1 5,-1.8 3,-0.2 -2,-0.2 0.876 118.3 38.2 -72.0 -38.6 10.8 34.8 -36.6 200 494 A L H <5S+ 0 0 0 -4,-2.3 6,-2.1 3,-0.2 -2,-0.2 0.969 135.5 13.7 -77.0 -57.5 9.1 31.5 -35.5 201 495 A F T <5S+ 0 0 18 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.828 132.9 38.5 -91.4 -37.4 6.5 31.0 -38.2 202 496 A D T - 0 0 57 1,-0.1 4,-2.8 -11,-0.1 5,-0.1 0.017 59.5-110.3 -52.0 164.3 2.2 30.9 -26.0 222 516 A A H > S+ 0 0 52 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.862 122.2 52.7 -66.4 -34.3 4.2 28.7 -23.7 223 517 A A H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.961 110.6 43.9 -64.2 -54.8 1.8 25.9 -24.6 224 518 A V H > S+ 0 0 14 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.953 119.8 45.5 -53.0 -50.1 2.3 26.5 -28.4 225 519 A L H < S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.771 105.6 57.5 -66.3 -32.4 6.0 26.7 -27.7 226 520 A E H >< S+ 0 0 102 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.897 109.0 47.8 -67.5 -36.5 6.2 23.7 -25.3 227 521 A A H >< S+ 0 0 65 -4,-1.9 3,-0.7 1,-0.2 4,-0.2 0.837 111.2 51.1 -69.8 -32.4 4.8 21.6 -28.2 228 522 A L T 3X S+ 0 0 9 -4,-1.2 4,-0.7 1,-0.2 7,-0.3 0.324 80.7 99.2 -86.9 6.8 7.4 23.2 -30.5 229 523 A R T <4 S+ 0 0 110 -3,-1.0 7,-0.3 1,-0.2 -1,-0.2 0.752 81.0 51.8 -65.7 -24.8 10.2 22.4 -28.2 230 524 A E T <4 S+ 0 0 178 -3,-0.7 -1,-0.2 -4,-0.2 -2,-0.1 0.822 106.2 56.5 -80.8 -33.1 11.1 19.3 -30.2 231 525 A A T 4 S+ 0 0 60 -4,-0.2 -2,-0.1 -3,-0.2 -3,-0.1 0.964 113.0 16.9 -60.0 -92.2 11.3 21.2 -33.5 232 526 A H >< - 0 0 51 -4,-0.7 3,-0.7 1,-0.1 4,-0.4 -0.595 64.0-137.5 -88.3 146.2 13.8 24.1 -33.2 233 527 A P T 3> S+ 0 0 82 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.480 101.1 70.0 -79.3 -1.0 16.4 24.4 -30.5 234 528 A I H 3> S+ 0 0 0 2,-0.2 4,-2.4 1,-0.1 5,-0.2 0.771 81.9 73.2 -83.2 -30.1 15.6 28.1 -30.2 235 529 A V H <> S+ 0 0 0 -3,-0.7 4,-2.3 -7,-0.3 -1,-0.1 0.899 97.8 45.6 -51.1 -49.6 12.2 27.3 -28.6 236 530 A E H > S+ 0 0 28 -4,-0.4 4,-2.1 -7,-0.3 5,-0.3 0.953 110.2 53.0 -61.7 -50.3 13.6 26.2 -25.3 237 531 A K H X S+ 0 0 51 -4,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.880 111.3 48.8 -52.3 -38.4 16.0 29.2 -25.1 238 532 A I H 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A R H 4 S+ 0 0 44 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.834 116.5 41.6 -71.8 -33.9 -8.3 19.6 -23.6 375 678 A L H X S+ 0 0 26 -4,-2.4 4,-3.4 2,-0.2 3,-0.4 0.833 106.8 61.2 -81.0 -36.8 -7.8 16.3 -21.7 376 679 A S H < S+ 0 0 20 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.935 114.4 36.3 -54.2 -47.1 -6.6 14.4 -24.7 377 680 A Q T < S+ 0 0 91 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.508 114.6 60.0 -82.2 -6.9 -3.8 16.9 -24.9 378 681 A E T 4 S+ 0 0 65 -3,-0.4 -2,-0.2 -6,-0.2 -1,-0.2 0.825 120.8 13.4 -86.7 -37.1 -3.7 16.9 -21.1 379 682 A L S < S- 0 0 68 -4,-3.4 -21,-0.0 2,-0.2 7,-0.0 -0.105 89.3 -98.5-113.9-149.0 -3.0 13.2 -20.9 380 683 A A S S+ 0 0 97 -2,-0.1 -1,-0.1 1,-0.1 6,-0.1 0.821 93.9 75.8-104.1 -65.0 -1.8 10.6 -23.5 381 684 A I S S- 0 0 53 4,-0.1 -2,-0.2 1,-0.1 -1,-0.1 -0.310 84.3-124.8 -54.9 121.9 -4.9 8.7 -24.7 382 685 A P >> - 0 0 61 0, 0.0 4,-2.4 0, 0.0 3,-0.8 0.282 47.5 -62.3 -56.3-172.0 -6.8 10.9 -27.1 383 686 A Y H 3> S+ 0 0 52 1,-0.2 4,-0.6 2,-0.2 -10,-0.1 0.479 129.0 71.4 -56.4 -1.0 -10.5 12.0 -26.9 384 687 A E H 34 S+ 0 0 88 2,-0.1 4,-0.4 3,-0.1 -1,-0.2 0.950 113.7 17.3 -80.8 -57.3 -11.3 8.2 -27.2 385 688 A E H <> S+ 0 0 44 -3,-0.8 4,-4.5 2,-0.2 -2,-0.2 0.633 121.6 67.0 -89.3 -18.2 -10.1 7.0 -23.8 386 689 A A H < S+ 0 0 10 -4,-2.4 5,-0.3 2,-0.3 -3,-0.2 0.994 100.0 46.4 -64.3 -62.3 -10.2 10.5 -22.4 387 690 A Q T < S+ 0 0 57 -4,-0.6 3,-0.4 1,-0.3 4,-0.3 0.825 120.0 43.9 -48.6 -32.3 -13.9 10.8 -22.6 388 691 A A T >> S+ 0 0 52 -4,-0.4 2,-3.5 1,-0.2 3,-2.1 0.930 100.3 66.6 -77.6 -48.2 -13.9 7.4 -21.0 389 692 A F T 3< S+ 0 0 75 -4,-4.5 -1,-0.2 1,-0.3 -2,-0.1 -0.091 114.9 33.5 -67.3 43.1 -11.2 8.2 -18.5 390 693 A I T 3> S+ 0 0 43 -2,-3.5 4,-1.7 -3,-0.4 5,-0.3 0.135 94.5 86.3-168.2 -20.8 -13.9 10.5 -17.1 391 694 A E T <4 S+ 0 0 61 -3,-2.1 4,-0.2 -4,-0.3 -2,-0.2 0.790 96.7 46.1 -62.2 -27.3 -17.0 8.4 -17.9 392 695 A R T X S+ 0 0 62 -4,-1.1 4,-2.5 2,-0.2 5,-0.3 0.682 101.3 67.5 -86.9 -22.9 -16.3 6.7 -14.6 393 696 A Y H >> S+ 0 0 36 -5,-0.3 4,-3.8 2,-0.2 3,-0.6 0.995 112.1 31.0 -59.6 -62.0 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108.5 54.5 -54.8 -50.0 -25.1 18.9 -8.7 404 707 A I H X S+ 0 0 33 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.900 111.3 47.3 -53.5 -39.6 -23.5 20.5 -11.7 405 708 A E H X S+ 0 0 116 -4,-1.6 4,-2.3 -5,-0.3 -2,-0.2 0.934 112.0 48.7 -67.5 -46.6 -26.7 19.9 -13.5 406 709 A K H X S+ 0 0 56 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.920 110.2 50.1 -59.9 -48.1 -28.9 21.3 -10.7 407 710 A T H X S+ 0 0 19 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.932 111.3 50.0 -58.1 -46.2 -27.0 24.4 -10.2 408 711 A L H X S+ 0 0 14 -4,-1.7 4,-2.5 -5,-0.3 -2,-0.2 0.923 110.7 47.1 -59.3 -50.0 -27.1 25.2 -13.9 409 712 A E H X S+ 0 0 117 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.960 113.6 48.5 -58.1 -50.2 -30.8 24.8 -14.3 410 713 A E H X>S+ 0 0 19 -4,-2.6 4,-3.0 1,-0.2 5,-0.5 0.877 110.2 55.1 -56.7 -35.3 -31.4 26.9 -11.2 411 714 A G H X5S+ 0 0 3 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.907 106.9 47.3 -64.5 -43.8 -29.0 29.3 -12.8 412 715 A R H <5S+ 0 0 77 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.904 120.7 39.1 -64.5 -40.7 -31.0 29.6 -16.0 413 716 A R H <5S+ 0 0 75 -4,-2.4 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A V > + 0 0 12 -12,-0.7 3,-1.0 -2,-0.4 -12,-0.1 -0.740 9.5 169.1-125.4 81.2 -24.8 34.7 -15.2 428 731 A P G > + 0 0 98 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.895 69.2 71.6 -58.7 -45.5 -27.2 36.0 -17.9 429 732 A D G > S+ 0 0 94 1,-0.3 3,-0.7 2,-0.2 12,-0.4 0.331 73.1 92.7 -58.5 13.5 -25.3 34.3 -20.8 430 733 A L G < S+ 0 0 2 -3,-1.0 -1,-0.3 1,-0.2 -18,-0.1 0.762 90.2 41.1 -77.5 -24.9 -26.6 31.1 -19.4 431 734 A E G < S+ 0 0 136 -3,-2.2 -1,-0.2 -4,-0.1 -2,-0.2 0.007 89.2 138.5-108.7 23.9 -29.6 31.4 -21.7 432 735 A A < - 0 0 20 -3,-0.7 -3,-0.0 1,-0.1 6,-0.0 -0.340 54.8-138.0 -70.3 153.3 -27.5 32.6 -24.7 433 736 A R S S+ 0 0 239 5,-0.0 2,-0.7 -2,-0.0 -1,-0.1 0.596 81.7 86.5 -87.3 -13.7 -28.2 31.3 -28.2 434 737 A V > - 0 0 79 1,-0.2 4,-3.3 -5,-0.1 5,-0.3 -0.807 68.1-151.7 -94.0 115.9 -24.6 30.9 -29.0 435 738 A K H > S+ 0 0 133 -2,-0.7 4,-2.9 1,-0.2 5,-0.4 0.936 96.1 55.8 -45.0 -56.3 -23.1 27.6 -28.0 436 739 A S H > S+ 0 0 91 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.895 115.5 34.3 -42.8 -59.7 -19.7 29.2 -27.6 437 740 A V H > S+ 0 0 54 2,-0.2 4,-2.0 1,-0.2 3,-0.3 0.876 116.7 55.0 -69.8 -38.5 -20.8 31.9 -25.2 438 741 A R H X S+ 0 0 65 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.942 108.3 46.1 -61.1 -51.0 -23.4 29.8 -23.4 439 742 A E H X S+ 0 0 78 -4,-2.9 4,-1.1 -5,-0.3 -1,-0.2 0.668 110.4 57.0 -67.3 -15.4 -21.1 27.0 -22.4 440 743 A A H X S+ 0 0 25 -4,-0.6 4,-1.3 -5,-0.4 -1,-0.2 0.885 107.9 45.5 -78.6 -42.9 -18.6 29.7 -21.4 441 744 A A H X S+ 0 0 2 -4,-2.0 4,-2.8 -12,-0.4 -2,-0.2 0.882 108.1 59.7 -65.4 -38.8 -21.2 31.1 -19.0 442 745 A E H X S+ 0 0 40 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.887 103.8 49.7 -57.6 -41.3 -22.0 27.6 -17.8 443 746 A R H < S+ 0 0 108 -4,-1.1 4,-0.5 1,-0.2 -1,-0.2 0.840 114.0 43.9 -68.3 -34.1 -18.4 27.1 -16.7 444 747 A M H X S+ 0 0 87 -4,-1.3 4,-1.6 2,-0.1 -2,-0.2 0.827 113.1 58.1 -75.7 -32.8 -18.4 30.4 -14.8 445 748 A A H < S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.948 111.8 33.0 -62.8 -57.4 -21.8 29.3 -13.5 446 749 A F T < S+ 0 0 20 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.520 115.7 59.8 -83.7 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