==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 23-JUN-99 1QSS . COMPND 2 MOLECULE: 5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DDG))-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR Y.LI,V.MITAXOV,G.WAKSMAN . 539 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23536.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 393 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 9.8 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 . 26 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 237 44.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.8 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 0 1 2 4 3 2 0 0 0 2 1 0 3 1 0 0 0 0 0 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 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 0 PARALLEL BRIDGES PER LADDER . 2 2 2 1 1 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 1 293 A A 0 0 154 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -11.9 -31.9 69.8 0.5 2 294 A L - 0 0 85 37,-0.0 2,-0.3 2,-0.0 37,-0.2 -0.919 360.0-162.7-109.0 118.6 -28.3 69.5 1.6 3 295 A E E -a 39 0A 60 35,-2.4 37,-2.7 -2,-0.6 2,-0.7 -0.691 17.3-124.5-100.8 155.2 -27.0 72.1 4.1 4 296 A E E +a 40 0A 158 -2,-0.3 37,-0.2 35,-0.2 35,-0.1 -0.832 31.8 180.0-105.3 102.3 -23.4 72.9 5.0 5 297 A A E -a 41 0A 33 35,-1.8 37,-0.9 -2,-0.7 2,-0.0 -0.560 37.0 -82.6 -98.1 161.8 -22.5 72.7 8.7 6 298 A P E -a 42 0A 106 0, 0.0 -1,-0.1 0, 0.0 37,-0.1 -0.296 56.9 -90.7 -62.0 143.2 -19.1 73.3 10.6 7 299 A W S S+ 0 0 13 35,-0.6 36,-0.1 34,-0.1 -2,-0.1 0.681 100.4 93.3 -24.1 -66.0 -16.6 70.4 10.6 8 300 A P - 0 0 96 0, 0.0 34,-0.1 0, 0.0 -1,-0.1 -0.090 64.1-164.5 -43.4 100.0 -17.6 68.6 13.8 9 301 A P - 0 0 22 0, 0.0 3,-0.1 0, 0.0 26,-0.0 -0.532 20.8-114.6 -84.5 153.8 -20.1 66.0 12.4 10 302 A P - 0 0 77 0, 0.0 2,-0.3 0, 0.0 26,-0.0 0.771 51.4 -74.2 -56.4-118.2 -22.4 64.2 14.8 11 303 A E S S+ 0 0 76 1,-0.1 3,-0.1 42,-0.1 42,-0.0 -0.981 111.7 30.2-148.7 138.5 -21.8 60.4 15.2 12 304 A G S S+ 0 0 30 -2,-0.3 2,-0.1 1,-0.3 -1,-0.1 0.614 84.8 148.6 85.3 11.8 -22.7 57.7 12.8 13 305 A A - 0 0 11 23,-0.1 2,-0.4 1,-0.1 44,-0.4 -0.426 52.3-109.5 -76.6 154.4 -22.2 60.1 10.0 14 306 A F E -B 35 0A 9 21,-3.1 21,-2.7 -2,-0.1 44,-0.2 -0.753 31.6-135.2 -91.1 132.9 -21.0 58.9 6.6 15 307 A V E -B 34 0A 4 42,-2.7 2,-0.3 -2,-0.4 44,-0.3 -0.485 17.1-170.2 -84.9 154.8 -17.4 59.9 5.6 16 308 A G E +B 33 0A 1 17,-1.7 17,-3.0 -2,-0.2 2,-0.3 -0.979 16.0 172.2-142.5 129.1 -16.3 61.2 2.3 17 309 A F E -B 32 0A 13 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.975 24.4-144.6-144.2 157.9 -12.6 61.6 1.4 18 310 A V E -B 31 0A 15 13,-2.4 12,-2.1 -2,-0.3 13,-1.1 -0.978 15.2-161.8-127.7 126.4 -10.1 62.4 -1.4 19 311 A L E -B 29 0A 30 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.693 27.2-131.1-103.7 154.5 -6.7 60.9 -1.8 20 312 A S S S+ 0 0 61 8,-1.2 2,-0.3 -2,-0.3 -1,-0.1 0.806 97.3 1.4 -69.1 -31.1 -3.7 62.1 -3.9 21 313 A R S S- 0 0 99 7,-0.2 -1,-0.2 2,-0.1 6,-0.1 -0.948 80.9-103.1-150.0 164.9 -3.6 58.5 -5.3 22 314 A K S S+ 0 0 125 -2,-0.3 3,-0.1 -3,-0.1 5,-0.0 0.737 91.4 92.8 -68.5 -23.2 -5.4 55.3 -4.9 23 315 A E >> - 0 0 31 1,-0.2 4,-2.5 2,-0.1 3,-1.5 -0.612 63.5-156.2 -77.8 111.3 -2.9 53.5 -2.6 24 316 A P T 34 S+ 0 0 1 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.884 90.9 54.2 -51.6 -44.4 -4.0 54.2 1.0 25 317 A M T 34 S+ 0 0 7 1,-0.2 -2,-0.1 244,-0.2 -3,-0.0 0.667 120.2 31.2 -67.2 -17.8 -0.5 53.7 2.4 26 318 A W T <4 S+ 0 0 78 -3,-1.5 -1,-0.2 -5,-0.1 -4,-0.1 0.595 96.4 112.4-113.6 -15.4 1.0 56.2 0.1 27 319 A A < - 0 0 3 -4,-2.5 2,-0.5 -6,-0.1 -5,-0.1 -0.010 60.3-133.0 -60.7 159.8 -1.8 58.7 -0.4 28 320 A D - 0 0 70 -7,-0.1 2,-1.5 3,-0.0 -8,-1.2 -0.964 25.7-122.7-111.9 127.2 -2.1 62.3 0.8 29 321 A L E +B 19 0A 3 -2,-0.5 18,-0.3 1,-0.2 -10,-0.2 -0.599 37.8 173.1 -74.2 93.9 -5.4 63.0 2.5 30 322 A L E - 0 0 98 -12,-2.1 2,-0.3 -2,-1.5 -1,-0.2 0.730 62.2 -2.0 -74.9 -26.1 -6.5 65.9 0.3 31 323 A A E -B 18 0A 31 -13,-1.1 -13,-2.4 -3,-0.1 2,-0.4 -0.947 54.3-168.4-167.9 145.5 -9.9 66.3 1.8 32 324 A L E +BC 17 43A 3 11,-0.5 11,-2.2 -2,-0.3 2,-0.2 -0.995 19.2 156.1-141.3 130.6 -12.3 64.8 4.5 33 325 A A E -BC 16 42A 1 -17,-3.0 -17,-1.7 -2,-0.4 2,-0.3 -0.771 22.1-145.1-140.4-174.9 -16.0 65.5 5.0 34 326 A A E -BC 15 41A 1 7,-1.8 7,-3.8 -19,-0.3 2,-0.4 -0.983 0.4-154.3-158.8 148.0 -19.0 63.8 6.4 35 327 A A E +BC 14 40A 0 -21,-2.7 -21,-3.1 -2,-0.3 2,-0.3 -0.996 26.1 147.2-130.5 132.7 -22.7 63.6 5.7 36 328 A R E > - C 0 39A 96 3,-2.4 3,-2.0 -2,-0.4 2,-1.1 -0.952 62.5 -2.9-163.8 142.2 -25.5 63.0 8.3 37 329 A G T 3 S- 0 0 62 -2,-0.3 3,-0.0 1,-0.3 -2,-0.0 -0.657 125.1 -48.5 76.5-105.0 -29.1 64.0 8.7 38 330 A G T 3 S+ 0 0 41 -2,-1.1 -35,-2.4 -35,-0.0 2,-0.3 0.018 120.7 91.0-148.9 17.1 -29.5 66.4 5.8 39 331 A R E < -aC 3 36A 24 -3,-2.0 -3,-2.4 -37,-0.2 2,-0.4 -0.813 60.1-148.9-118.3 157.5 -26.3 68.3 6.5 40 332 A V E -aC 4 35A 1 -37,-2.7 -35,-1.8 -2,-0.3 2,-0.5 -0.990 8.1-153.5-129.0 136.8 -22.7 67.9 5.3 41 333 A H E -aC 5 34A 15 -7,-3.8 -7,-1.8 -2,-0.4 2,-0.5 -0.937 3.0-162.6-116.1 129.6 -19.6 68.8 7.2 42 334 A R E -aC 6 33A 91 -37,-0.9 -35,-0.6 -2,-0.5 -9,-0.2 -0.938 14.1-141.6-112.6 127.0 -16.3 69.7 5.7 43 335 A A E - C 0 32A 10 -11,-2.2 -11,-0.5 -2,-0.5 6,-0.1 -0.778 1.6-151.8 -88.6 121.3 -13.1 69.5 7.8 44 336 A P S S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -11,-0.0 0.804 93.6 37.9 -59.7 -32.0 -10.7 72.4 7.1 45 337 A E S > S- 0 0 120 1,-0.1 4,-3.7 -3,-0.0 5,-0.2 -0.852 70.7-173.1-125.7 93.8 -7.8 70.2 8.2 46 338 A P H > S+ 0 0 21 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.897 86.8 48.4 -51.3 -53.4 -8.3 66.5 7.1 47 339 A Y H > S+ 0 0 72 -18,-0.3 4,-0.7 1,-0.2 -17,-0.0 0.896 117.5 43.9 -58.6 -37.4 -5.3 65.0 8.9 48 340 A K H >> S+ 0 0 82 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.930 111.2 55.6 -71.1 -44.1 -6.5 66.9 12.0 49 341 A A H >X S+ 0 0 0 -4,-3.7 4,-1.0 1,-0.2 3,-1.0 0.766 92.0 70.9 -59.9 -30.5 -10.1 65.9 11.3 50 342 A L H >< S+ 0 0 1 -4,-2.2 3,-0.9 1,-0.3 -1,-0.2 0.924 91.0 59.6 -53.5 -47.0 -9.2 62.2 11.3 51 343 A R H << S+ 0 0 129 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.796 99.5 59.6 -51.4 -32.3 -8.7 62.2 15.0 52 344 A D H << S+ 0 0 94 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.894 87.6 86.9 -65.8 -41.7 -12.2 63.3 15.5 53 345 A L << - 0 0 27 -4,-1.0 3,-0.1 -3,-0.9 -42,-0.1 -0.264 52.0-170.0 -63.6 145.3 -13.8 60.3 13.8 54 346 A K S S+ 0 0 90 1,-0.3 2,-0.3 21,-0.1 -1,-0.1 0.563 75.1 10.9-107.6 -16.8 -14.6 57.2 15.9 55 347 A E - 0 0 82 20,-0.2 2,-0.7 -42,-0.1 -1,-0.3 -0.989 69.1-121.8-159.0 152.5 -15.4 55.0 12.8 56 348 A E B +d 77 0B 1 20,-2.3 22,-4.2 -2,-0.3 2,-0.5 -0.883 34.6 172.5-104.6 108.2 -15.2 55.1 9.0 57 349 A R + 0 0 34 -2,-0.7 -42,-2.7 -44,-0.4 2,-0.3 -0.963 38.7 37.6-117.5 120.6 -18.7 54.6 7.4 58 350 A G S > S- 0 0 1 21,-3.2 3,-1.5 -2,-0.5 24,-0.1 -0.868 93.1 -0.6 140.4-176.3 -19.1 55.0 3.7 59 351 A L T 3 S- 0 0 4 54,-0.3 -42,-0.2 -44,-0.3 58,-0.1 -0.249 129.8 -4.4 -49.2 124.2 -17.7 54.3 0.2 60 352 A L T 3> S+ 0 0 46 1,-0.1 4,-1.3 3,-0.1 3,-0.3 0.843 77.0 166.5 57.0 42.9 -14.3 52.6 0.6 61 353 A A H <> + 0 0 4 -3,-1.5 4,-2.0 1,-0.2 5,-0.2 0.863 69.5 60.3 -52.4 -41.9 -14.2 52.8 4.4 62 354 A K H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.926 99.7 53.4 -55.1 -51.1 -11.3 50.3 4.6 63 355 A D H > S+ 0 0 13 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.895 110.9 45.3 -53.7 -46.2 -8.9 52.4 2.5 64 356 A L H X S+ 0 0 0 -4,-1.3 4,-2.6 1,-0.2 -1,-0.2 0.867 112.0 53.6 -65.6 -36.0 -9.3 55.5 4.8 65 357 A S H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.861 106.4 52.5 -65.2 -36.5 -9.0 53.2 7.8 66 358 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.925 111.1 46.6 -65.7 -41.9 -5.7 51.9 6.4 67 359 A L H X S+ 0 0 0 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.887 110.4 53.1 -67.2 -38.4 -4.5 55.5 6.0 68 360 A A H ><>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 3,-1.0 0.940 108.3 49.9 -61.7 -44.1 -5.7 56.3 9.6 69 361 A L H ><5S+ 0 0 32 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.899 105.8 57.0 -60.6 -39.2 -3.7 53.3 10.8 70 362 A R H 3<5S+ 0 0 43 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.732 105.5 52.1 -63.2 -22.2 -0.7 54.6 9.0 71 363 A E T <<5S- 0 0 62 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.345 125.6-100.0 -98.9 7.6 -1.0 57.8 10.9 72 364 A G T < 5S+ 0 0 69 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.418 84.9 122.1 92.3 -1.6 -1.1 56.1 14.3 73 365 A L < - 0 0 36 -5,-2.2 -1,-0.2 -6,-0.2 -22,-0.0 -0.047 57.8-142.0 -81.6-172.2 -4.8 56.2 14.7 74 366 A G + 0 0 54 -3,-0.1 -5,-0.1 2,-0.1 -9,-0.1 -0.100 37.3 155.0-145.6 37.1 -7.2 53.4 15.2 75 367 A L - 0 0 7 -10,-0.2 -6,-0.2 -11,-0.1 -20,-0.2 -0.603 31.9-152.5 -70.9 107.3 -10.2 54.4 13.2 76 368 A P - 0 0 57 0, 0.0 -20,-2.3 0, 0.0 2,-0.3 -0.600 16.9-108.7 -85.1 148.6 -11.8 51.1 12.3 77 369 A P B +d 56 0B 12 0, 0.0 70,-0.2 0, 0.0 -20,-0.2 -0.571 41.6 170.0 -76.8 134.4 -13.9 50.6 9.1 78 370 A G + 0 0 2 -22,-4.2 -21,-0.2 1,-0.4 -16,-0.1 0.176 47.2 4.1-115.0-128.7 -17.7 50.3 9.4 79 371 A D + 0 0 15 -18,-0.1 -21,-3.2 2,-0.0 -1,-0.4 -0.290 56.9 178.3 -61.3 146.6 -20.6 50.3 6.9 80 372 A D >> - 0 0 12 -23,-0.2 3,-1.8 -3,-0.1 4,-1.0 -0.836 25.6-151.3-153.2 106.8 -19.7 50.5 3.3 81 373 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.724 95.7 68.3 -52.2 -22.8 -22.3 50.5 0.5 82 374 A M H 3> S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.894 99.3 51.1 -62.8 -37.7 -19.8 48.9 -1.9 83 375 A L H <> S+ 0 0 3 -3,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.816 110.2 48.5 -68.3 -33.0 -20.0 45.8 0.3 84 376 A L H X S+ 0 0 0 -4,-1.0 4,-1.4 2,-0.2 -2,-0.2 0.905 113.4 45.5 -75.0 -42.3 -23.7 45.8 0.1 85 377 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 3,-0.5 0.948 110.7 54.3 -63.7 -47.6 -23.8 46.2 -3.7 86 378 A Y H < S+ 0 0 3 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.840 108.4 49.4 -54.5 -38.6 -21.1 43.6 -4.2 87 379 A L H < S+ 0 0 2 -4,-1.2 348,-0.5 1,-0.2 -1,-0.3 0.817 111.2 50.4 -72.1 -29.6 -23.2 41.2 -2.2 88 380 A L H < S- 0 0 23 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.845 138.6 -7.6 -73.5 -34.7 -26.2 42.1 -4.4 89 381 A D >< - 0 0 24 -4,-2.4 3,-3.0 3,-0.1 -1,-0.3 -0.774 60.9-146.4-164.5 109.7 -24.3 41.5 -7.6 90 382 A P T 3 S+ 0 0 6 0, 0.0 -4,-0.1 0, 0.0 190,-0.1 0.518 97.4 75.3 -63.3 1.7 -20.5 40.8 -7.6 91 383 A S T 3 S+ 0 0 75 -6,-0.2 2,-1.3 1,-0.1 3,-0.2 0.488 71.9 92.2 -87.8 -5.0 -20.4 42.7 -10.8 92 384 A N < + 0 0 9 -3,-3.0 -3,-0.1 -7,-0.2 -1,-0.1 -0.781 50.8 138.8 -86.6 94.8 -20.8 45.8 -8.6 93 385 A T + 0 0 59 -2,-1.3 -1,-0.2 1,-0.1 182,-0.2 0.581 46.9 50.1-120.0 -13.5 -17.1 46.4 -8.3 94 386 A T S > S- 0 0 60 -3,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.938 71.5-126.5-128.3 152.1 -16.3 50.1 -8.5 95 387 A P H > S+ 0 0 17 0, 0.0 4,-3.5 0, 0.0 5,-0.3 0.931 109.6 60.8 -59.5 -41.1 -17.7 53.2 -6.8 96 388 A E H > S+ 0 0 98 1,-0.2 4,-2.4 2,-0.2 10,-0.2 0.898 111.5 38.2 -49.6 -48.0 -18.3 54.8 -10.2 97 389 A G H > S+ 0 0 34 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.904 115.4 50.7 -72.6 -43.9 -20.6 52.0 -11.2 98 390 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.906 113.7 48.2 -61.2 -37.8 -22.3 51.5 -7.9 99 391 A A H X>S+ 0 0 0 -4,-3.5 5,-2.6 -5,-0.3 4,-1.2 0.952 112.8 46.2 -67.8 -49.7 -22.9 55.2 -7.9 100 392 A R H <5S+ 0 0 81 -4,-2.4 -2,-0.2 -5,-0.3 3,-0.2 0.911 119.6 41.7 -61.1 -39.8 -24.3 55.3 -11.4 101 393 A R H <5S+ 0 0 130 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.868 121.2 34.9 -78.4 -35.3 -26.5 52.3 -10.6 102 394 A Y H <5S- 0 0 15 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.317 128.9 -53.0-107.7 12.3 -27.8 53.0 -7.2 103 395 A G T <5S+ 0 0 44 -4,-1.2 2,-0.3 1,-0.3 -3,-0.2 0.725 94.4 18.7 133.9 26.4 -28.3 56.7 -6.9 104 396 A G < - 0 0 31 -5,-2.6 2,-0.4 -6,-0.1 -1,-0.3 -0.981 66.8 -76.1 178.1-165.5 -25.6 59.2 -7.8 105 397 A E - 0 0 149 -2,-0.3 2,-0.7 7,-0.1 11,-0.1 -0.991 30.2-136.6-132.1 124.5 -22.4 60.4 -9.3 106 398 A W + 0 0 39 -2,-0.4 2,-0.1 -10,-0.2 7,-0.1 -0.712 40.2 164.7 -81.1 111.0 -18.9 59.6 -7.9 107 399 A T - 0 0 24 -2,-0.7 -1,-0.1 2,-0.2 -11,-0.0 -0.041 48.1 -98.5-107.3-150.4 -16.9 62.8 -8.1 108 400 A E S S+ 0 0 134 -2,-0.1 2,-0.4 -90,-0.1 -2,-0.1 0.263 87.1 92.8-121.3 11.3 -13.7 64.2 -6.7 109 401 A E > - 0 0 54 1,-0.1 4,-1.8 -92,-0.0 -2,-0.2 -0.923 65.7-142.7-113.7 132.9 -15.0 66.3 -3.8 110 402 A A H > S+ 0 0 2 -2,-0.4 4,-1.8 2,-0.2 -77,-0.3 0.710 98.6 55.8 -62.4 -30.1 -15.3 64.8 -0.2 111 403 A G H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 3,-0.2 0.968 111.2 44.1 -68.2 -51.6 -18.6 66.6 0.7 112 404 A E H > S+ 0 0 96 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.859 113.8 52.7 -59.2 -35.2 -20.3 65.1 -2.3 113 405 A R H X S+ 0 0 22 -4,-1.8 4,-2.1 2,-0.2 -54,-0.3 0.840 108.9 48.6 -70.1 -32.7 -18.6 61.8 -1.5 114 406 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 -3,-0.2 -79,-0.3 0.924 113.9 46.8 -70.7 -43.2 -20.0 61.9 2.1 115 407 A A H X S+ 0 0 6 -4,-2.7 4,-1.9 1,-0.2 5,-0.2 0.910 112.4 50.3 -61.9 -45.2 -23.4 62.7 0.7 116 408 A L H X S+ 0 0 3 -4,-2.6 4,-3.1 -5,-0.2 5,-0.3 0.922 106.3 55.2 -59.6 -47.5 -23.2 59.9 -1.8 117 409 A S H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.900 108.7 48.7 -55.1 -44.1 -22.1 57.4 0.8 118 410 A E H X S+ 0 0 46 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.947 115.8 39.3 -63.3 -53.8 -25.2 58.1 3.0 119 411 A R H X S+ 0 0 119 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.918 114.2 54.5 -66.2 -41.9 -27.9 57.9 0.3 120 412 A L H X S+ 0 0 0 -4,-3.1 4,-3.2 -5,-0.2 5,-0.3 0.943 109.0 49.1 -56.6 -45.1 -26.2 54.9 -1.4 121 413 A F H X S+ 0 0 25 -4,-2.2 4,-2.9 -5,-0.3 5,-0.3 0.915 110.4 51.3 -58.9 -45.0 -26.2 53.0 1.9 122 414 A A H X S+ 0 0 64 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.933 115.5 40.9 -59.2 -47.0 -29.9 53.9 2.4 123 415 A N H X S+ 0 0 73 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.976 118.8 43.7 -68.3 -53.6 -30.9 52.6 -1.1 124 416 A L H < S+ 0 0 0 -4,-3.2 4,-0.5 -5,-0.2 -2,-0.2 0.889 113.3 53.2 -59.0 -39.6 -28.7 49.6 -1.1 125 417 A W H >< S+ 0 0 91 -4,-2.9 3,-1.9 -5,-0.3 4,-0.4 0.955 106.2 52.3 -61.8 -49.7 -29.7 48.7 2.4 126 418 A G H >< S+ 0 0 41 -4,-2.2 3,-1.9 -5,-0.3 -1,-0.2 0.921 106.7 53.7 -53.0 -44.8 -33.3 48.9 1.6 127 419 A R T 3< S+ 0 0 118 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.571 101.3 59.3 -70.5 -5.4 -32.8 46.5 -1.3 128 420 A L T X S+ 0 0 1 -3,-1.9 3,-2.2 -4,-0.5 2,-0.4 0.388 77.3 121.9 -96.9 0.2 -31.1 44.0 1.0 129 421 A E T < S+ 0 0 73 -3,-1.9 3,-0.0 -4,-0.4 -3,-0.0 -0.486 81.2 16.1 -65.0 120.3 -34.4 43.9 3.1 130 422 A G T 3 S+ 0 0 74 -2,-0.4 2,-1.4 1,-0.1 -1,-0.3 0.251 94.4 110.0 99.0 -14.2 -35.5 40.3 3.1 131 423 A E <> + 0 0 55 -3,-2.2 4,-2.5 1,-0.2 5,-0.2 -0.544 36.1 164.1 -94.4 68.7 -32.1 38.9 1.9 132 424 A E H > S+ 0 0 72 -2,-1.4 4,-3.0 1,-0.2 -1,-0.2 0.877 73.9 51.9 -53.1 -41.5 -31.4 37.3 5.3 133 425 A R H > S+ 0 0 115 -3,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.899 112.3 43.7 -64.8 -41.7 -28.6 35.2 3.7 134 426 A L H > S+ 0 0 0 -3,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.776 114.8 51.1 -74.4 -26.5 -26.9 38.3 2.1 135 427 A L H X S+ 0 0 22 -4,-2.5 4,-2.6 2,-0.2 5,-0.5 0.899 106.3 53.8 -74.2 -41.2 -27.4 40.2 5.3 136 428 A W H X S+ 0 0 102 -4,-3.0 4,-1.9 1,-0.3 5,-0.4 0.905 111.5 46.4 -57.5 -41.2 -25.8 37.3 7.3 137 429 A L H X>S+ 0 0 0 -4,-1.6 5,-2.5 3,-0.2 4,-1.0 0.812 112.4 52.6 -70.5 -30.1 -22.9 37.6 4.9 138 430 A Y H <>S+ 0 0 0 -4,-1.2 5,-2.5 3,-0.2 -2,-0.2 0.984 120.4 26.8 -69.6 -58.8 -22.8 41.3 5.3 139 431 A R H <5S+ 0 0 111 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.792 128.4 42.2 -76.0 -31.3 -22.7 41.6 9.1 140 432 A E H <5S+ 0 0 107 -4,-1.9 -3,-0.2 -5,-0.5 -1,-0.2 0.770 131.6 8.8 -89.2 -27.2 -21.0 38.3 9.9 141 433 A V T X5S+ 0 0 0 -4,-1.0 4,-2.4 -5,-0.4 -3,-0.2 0.779 123.8 36.9-118.8 -64.5 -18.4 38.2 7.2 142 434 A E H >> S+ 0 0 38 0, 0.0 4,-1.4 0, 0.0 3,-1.2 0.944 110.8 59.1 -59.4 -41.8 -16.0 42.7 10.0 145 437 A L H 3X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.3 5,-0.2 0.852 94.8 64.0 -53.2 -37.9 -13.6 41.4 7.4 146 438 A S H 3X S+ 0 0 3 -4,-2.4 4,-2.6 -3,-0.4 -1,-0.3 0.871 100.7 52.1 -55.3 -37.5 -12.8 44.9 6.2 147 439 A A H + 0 0 64 145,-2.1 4,-1.7 -2,-0.4 5,-0.2 -0.634 35.4 173.7 -87.1 86.5 15.1 41.4 1.8 161 453 A V H > S+ 0 0 44 -2,-1.5 4,-2.5 1,-0.2 3,-0.2 0.922 75.6 50.1 -56.5 -55.3 15.9 44.3 -0.5 162 454 A A H > S+ 0 0 72 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.837 109.7 55.6 -56.6 -32.6 19.7 43.8 -0.7 163 455 A Y H > S+ 0 0 47 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.901 110.8 41.4 -67.5 -44.8 18.9 40.2 -1.5 164 456 A L H X S+ 0 0 0 -4,-1.7 4,-1.8 -3,-0.2 -2,-0.2 0.808 109.8 60.6 -73.2 -29.6 16.7 41.0 -4.5 165 457 A R H X S+ 0 0 113 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.876 109.0 41.4 -64.2 -40.5 19.1 43.7 -5.6 166 458 A A H X S+ 0 0 62 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.731 109.4 59.0 -79.3 -25.1 21.9 41.3 -6.1 167 459 A L H X S+ 0 0 3 -4,-1.1 4,-3.0 2,-0.2 5,-0.3 0.885 101.3 57.2 -69.5 -38.0 19.7 38.7 -7.6 168 460 A S H X S+ 0 0 10 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.939 104.5 49.4 -56.5 -52.6 18.8 41.2 -10.3 169 461 A L H X S+ 0 0 123 -4,-1.1 4,-1.3 2,-0.2 -1,-0.2 0.852 113.7 48.5 -57.6 -36.5 22.4 41.7 -11.4 170 462 A E H >X S+ 0 0 84 -4,-1.3 4,-1.3 2,-0.2 3,-0.6 0.983 113.9 42.2 -68.0 -60.0 22.8 37.9 -11.5 171 463 A V H 3X S+ 0 0 4 -4,-3.0 4,-2.8 1,-0.3 5,-0.2 0.827 106.5 64.4 -58.6 -31.8 19.7 37.2 -13.6 172 464 A A H 3X S+ 0 0 37 -4,-2.8 4,-2.4 -5,-0.3 -1,-0.3 0.954 102.8 49.5 -55.6 -47.5 20.4 40.1 -15.8 173 465 A E H S+ 0 0 44 -4,-3.0 5,-1.8 1,-0.2 4,-0.7 0.846 108.2 53.0 -53.9 -39.0 19.8 36.2 -31.7 184 476 A R H ><5S+ 0 0 156 -4,-1.3 3,-0.5 -5,-0.2 -1,-0.2 0.928 110.5 46.5 -63.4 -44.8 22.6 33.9 -33.0 185 477 A L H 3<5S+ 0 0 39 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.742 111.8 50.9 -68.2 -26.5 20.2 31.1 -33.9 186 478 A A H 3<5S- 0 0 15 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.600 110.6-126.7 -84.8 -13.9 17.9 33.6 -35.6 187 479 A G T <<5S+ 0 0 64 -4,-0.7 -3,-0.2 -3,-0.5 -2,-0.1 0.603 82.9 41.2 76.4 12.4 20.9 34.8 -37.5 188 480 A H S - 0 0 78 -2,-0.3 3,-2.0 1,-0.2 7,-0.2 -0.614 41.2-170.0 -75.5 99.5 13.2 42.8 -29.7 192 484 A L T 3 S+ 0 0 4 -2,-1.2 -1,-0.2 1,-0.3 6,-0.1 0.669 84.9 63.6 -61.8 -18.1 12.7 39.4 -28.0 193 485 A N T 3 S+ 0 0 116 -3,-0.1 2,-0.7 1,-0.1 -1,-0.3 0.641 85.0 91.0 -80.0 -12.5 10.1 41.1 -25.8 194 486 A S <> - 0 0 27 -3,-2.0 4,-2.4 1,-0.2 5,-0.2 -0.749 60.7-164.2 -88.3 109.6 8.0 41.8 -28.9 195 487 A R H > S+ 0 0 67 -2,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.880 91.1 52.7 -59.2 -40.0 5.5 39.0 -29.5 196 488 A D H > S+ 0 0 70 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.918 110.1 46.1 -64.1 -44.3 5.0 40.2 -33.1 197 489 A Q H > S+ 0 0 79 1,-0.2 4,-1.9 -6,-0.2 -1,-0.2 0.880 113.1 50.0 -66.8 -37.4 8.7 40.3 -33.9 198 490 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 -7,-0.2 5,-0.3 0.901 106.1 57.9 -66.7 -36.8 9.1 36.8 -32.4 199 491 A E H X>S+ 0 0 14 -4,-2.2 4,-3.0 -5,-0.2 5,-0.5 0.962 107.2 45.9 -55.4 -55.5 6.2 35.6 -34.5 200 492 A R H X>S+ 0 0 131 -4,-1.9 5,-2.5 1,-0.2 4,-1.9 0.887 112.8 51.6 -55.5 -42.8 7.8 36.6 -37.8 201 493 A V H <>S+ 0 0 3 -4,-1.9 5,-2.4 3,-0.2 -1,-0.2 0.929 117.5 35.9 -62.5 -47.5 11.1 35.1 -36.8 202 494 A L H <5S+ 0 0 2 -4,-2.6 6,-1.4 3,-0.2 -2,-0.2 0.937 129.7 29.4 -74.4 -47.7 9.7 31.7 -35.8 203 495 A F H <5S+ 0 0 20 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.809 133.6 23.9 -87.3 -30.0 7.0 31.3 -38.3 204 496 A D T < - 0 0 33 5,-2.8 4,-0.9 -2,-0.3 7,-0.0 -0.573 31.0-121.5 -86.9 153.0 -4.4 34.7 -30.6 215 507 A E T 4 S+ 0 0 170 -2,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.916 95.4 27.2 -60.0 -62.9 -8.0 35.6 -29.7 216 508 A K T 4 S+ 0 0 187 1,-0.1 -1,-0.1 2,-0.0 -2,-0.0 0.847 134.6 26.4 -77.1 -36.8 -8.8 39.2 -30.7 217 509 A T T 4 S- 0 0 90 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.407 92.7-130.8-109.4 1.3 -6.4 39.7 -33.6 218 510 A G < + 0 0 38 -4,-0.9 -3,-0.1 1,-0.1 3,-0.0 0.705 50.6 154.9 58.5 21.9 -6.0 36.1 -34.9 219 511 A K - 0 0 70 1,-0.1 -5,-2.8 -6,-0.1 2,-0.7 -0.253 57.5 -86.6 -74.4 167.9 -2.2 36.3 -35.0 220 512 A R B -H 213 0D 62 -7,-0.2 -7,-0.3 -24,-0.1 -1,-0.1 -0.684 52.4-121.7 -79.0 112.8 0.0 33.2 -34.7 221 513 A S - 0 0 17 -9,-1.6 -10,-0.4 -2,-0.7 -9,-0.3 -0.261 23.8-169.2 -60.0 135.4 0.5 32.6 -30.9 222 514 A T + 0 0 7 -12,-0.1 -1,-0.1 -11,-0.1 -9,-0.0 -0.151 39.8 149.9-110.9 31.0 4.0 32.6 -29.5 223 515 A S > - 0 0 62 1,-0.1 4,-3.7 -11,-0.1 5,-0.3 -0.224 63.8-110.1 -70.8 158.3 2.8 31.2 -26.1 224 516 A A H > S+ 0 0 59 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.881 122.9 51.1 -48.1 -45.5 4.5 29.0 -23.7 225 517 A A H > S+ 0 0 79 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.901 112.1 46.1 -61.4 -43.7 2.1 26.2 -24.6 226 518 A V H > S+ 0 0 11 1,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.937 113.6 49.6 -64.7 -44.4 2.9 26.8 -28.3 227 519 A L H >< S+ 0 0 1 -4,-3.7 3,-0.6 1,-0.2 4,-0.3 0.853 106.3 54.6 -63.7 -37.8 6.6 26.9 -27.5 228 520 A E H >< S+ 0 0 127 -4,-2.7 3,-1.2 -5,-0.3 4,-0.3 0.913 106.3 52.2 -64.1 -39.3 6.5 23.7 -25.5 229 521 A A H 3< S+ 0 0 53 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.712 115.8 43.2 -68.3 -16.2 4.9 21.9 -28.4 230 522 A L T XX S+ 0 0 8 -4,-0.7 3,-1.2 -3,-0.6 4,-0.8 0.294 78.0 110.1-110.3 6.9 7.7 23.3 -30.5 231 523 A R T <4 S+ 0 0 31 -3,-1.2 7,-0.5 -4,-0.3 3,-0.4 0.850 85.3 40.3 -52.5 -40.4 10.6 22.6 -28.2 232 524 A E T 34 S+ 0 0 196 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.543 98.3 76.6 -88.3 -8.1 12.1 19.9 -30.3 233 525 A A T <4 S- 0 0 55 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.791 112.0 -1.0 -73.9 -25.5 11.5 21.6 -33.7 234 526 A H >X - 0 0 39 -4,-0.8 3,-1.2 -3,-0.4 4,-0.5 -0.963 64.4-121.5-164.3 143.0 14.4 24.0 -33.3 235 527 A P H 3> S+ 0 0 87 0, 0.0 4,-0.9 0, 0.0 -50,-0.1 0.641 106.3 69.4 -63.9 -13.6 17.1 24.7 -30.7 236 528 A I H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.1 5,-0.2 0.846 86.5 67.6 -74.5 -31.1 15.9 28.3 -30.4 237 529 A V H <> S+ 0 0 1 -3,-1.2 4,-2.1 -7,-0.3 -1,-0.2 0.905 98.1 46.7 -54.1 -56.1 12.6 27.4 -28.7 238 530 A E H X S+ 0 0 42 -4,-0.5 4,-1.9 -7,-0.5 3,-0.4 0.965 111.2 53.8 -54.2 -53.4 14.0 26.1 -25.4 239 531 A K H X S+ 0 0 76 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