==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 06-SEP-12 4B9V . COMPND 2 MOLECULE: DNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR T.H.GEHRKE,U.LISCHKE,S.ARNOLD,S.SCHNEIDER,T.CARELL . 579 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 416 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 8.8 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 . 2 0.3 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 . 29 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 240 41.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 3.3 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 3 1 2 1 4 2 2 0 0 1 2 0 1 1 1 0 0 0 0 0 0 0 1 0 1 0 1 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 2 2 2 1 2 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 . 2 0 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 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 1 298 A K 0 0 127 0, 0.0 2,-0.1 0, 0.0 147,-0.0 0.000 360.0 360.0 360.0 96.0 11.5 38.4 52.4 2 299 A M - 0 0 32 1,-0.1 2,-0.1 146,-0.1 150,-0.1 -0.317 360.0-110.6 -67.4 136.5 8.8 35.6 52.7 3 300 A A + 0 0 69 -2,-0.1 2,-0.3 148,-0.0 -1,-0.1 -0.363 53.9 140.2 -68.9 131.3 7.8 34.6 56.2 4 301 A F - 0 0 57 -2,-0.1 2,-0.6 41,-0.1 43,-0.2 -0.981 48.5-109.9-159.4 167.5 8.8 31.1 57.4 5 302 A T E -a 47 0A 79 41,-2.5 43,-2.5 -2,-0.3 2,-1.7 -0.907 15.6-148.9-106.3 123.0 10.1 29.3 60.5 6 303 A L E -a 48 0A 60 -2,-0.6 43,-0.1 41,-0.2 41,-0.1 -0.607 31.5-161.8 -85.7 76.9 13.7 28.0 60.4 7 304 A A E -a 49 0A 9 -2,-1.7 43,-0.5 41,-0.9 3,-0.1 -0.310 27.1-169.4 -66.0 140.7 12.8 25.1 62.7 8 305 A D S S+ 0 0 117 1,-0.1 2,-0.3 41,-0.1 -1,-0.1 0.282 79.5 33.7-110.1 4.2 15.6 23.2 64.5 9 306 A R S S- 0 0 155 48,-0.0 2,-0.3 45,-0.0 -1,-0.1 -0.970 88.7-105.5-145.7 156.9 13.2 20.4 65.5 10 307 A V - 0 0 12 -2,-0.3 2,-0.3 43,-0.1 49,-0.1 -0.644 36.8-167.5 -78.0 136.5 10.1 18.7 63.8 11 308 A T > - 0 0 35 -2,-0.3 3,-1.7 1,-0.1 4,-0.3 -0.844 34.6-107.6-123.3 160.3 6.7 19.6 65.2 12 309 A E G > S+ 0 0 143 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.847 114.3 62.5 -56.6 -35.7 3.2 18.1 64.8 13 310 A E G > S+ 0 0 92 1,-0.3 3,-0.6 2,-0.1 31,-0.3 0.702 94.9 61.8 -71.1 -15.4 2.0 21.0 62.6 14 311 A M G < S+ 0 0 3 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.576 96.5 62.6 -77.9 -9.4 4.7 20.2 60.0 15 312 A L G < S+ 0 0 14 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.1 -0.151 70.3 148.3-113.7 39.1 3.1 16.8 59.5 16 313 A A < - 0 0 11 -3,-0.6 -3,-0.0 2,-0.1 3,-0.0 -0.226 61.0-109.2 -66.8 163.2 -0.4 17.8 58.2 17 314 A D S S+ 0 0 93 1,-0.1 53,-2.5 52,-0.1 2,-0.3 0.429 103.9 45.1 -86.0 6.8 -2.1 15.5 55.7 18 315 A K E S+b 70 0A 59 51,-0.2 25,-0.5 2,-0.0 2,-0.3 -0.936 73.0 145.4-145.1 125.3 -1.7 17.9 52.8 19 316 A A E -b 71 0A 0 51,-2.2 53,-2.7 -2,-0.3 2,-0.5 -0.999 47.8-121.8-153.8 155.9 1.5 19.8 52.0 20 317 A A E -bC 72 41A 0 21,-2.8 21,-2.6 -2,-0.3 2,-0.4 -0.892 41.4-165.6 -95.3 126.6 3.9 21.2 49.4 21 318 A L E - C 0 40A 1 51,-2.6 2,-0.5 -2,-0.5 53,-0.4 -0.954 18.3-169.5-123.6 133.7 7.2 19.5 50.0 22 319 A V E + C 0 39A 9 17,-2.6 17,-2.1 -2,-0.4 2,-0.5 -0.995 5.3 178.5-120.6 121.2 10.7 20.4 48.7 23 320 A V E - C 0 38A 9 -2,-0.5 2,-0.5 15,-0.2 15,-0.2 -0.928 29.3-145.4-121.4 98.8 13.5 17.8 49.3 24 321 A E E + C 0 37A 18 13,-2.4 12,-2.9 -2,-0.5 13,-0.6 -0.596 29.3 171.4 -92.1 120.4 16.4 19.6 47.6 25 322 A V - 0 0 6 -2,-0.5 10,-0.1 10,-0.2 5,-0.1 -0.969 4.8-179.4-120.2 108.0 19.1 17.7 45.7 26 323 A V + 0 0 16 -2,-0.5 -1,-0.1 8,-0.3 2,-0.1 0.769 52.1 96.9 -84.7 -31.8 21.2 20.2 43.8 27 324 A E S S- 0 0 121 7,-0.3 6,-0.1 1,-0.1 -2,-0.1 -0.430 76.8-132.8 -59.3 135.4 23.7 17.8 42.2 28 325 A E S S+ 0 0 144 1,-0.1 2,-0.8 -2,-0.1 -1,-0.1 0.925 99.7 54.4 -60.8 -47.3 22.5 17.1 38.6 29 326 A N S S- 0 0 32 1,-0.1 -1,-0.1 2,-0.1 -2,-0.1 -0.795 75.8-167.3 -86.7 109.3 22.9 13.3 39.0 30 327 A Y > + 0 0 3 -2,-0.8 3,-1.5 2,-0.1 2,-0.3 0.441 42.4 122.3 -84.6 2.3 20.8 12.6 42.1 31 328 A H T 3 S- 0 0 6 1,-0.3 51,-0.1 275,-0.1 -2,-0.1 -0.475 96.4 -14.0 -68.0 129.3 22.0 9.0 42.8 32 329 A D T 3 S+ 0 0 93 -2,-0.3 -1,-0.3 49,-0.3 -2,-0.1 0.743 106.1 149.2 52.4 29.9 23.5 8.8 46.3 33 330 A A < - 0 0 9 -3,-1.5 -1,-0.2 1,-0.1 -3,-0.1 -0.536 51.2 -93.6 -95.8 158.4 23.6 12.6 46.3 34 331 A P - 0 0 77 0, 0.0 2,-0.6 0, 0.0 -7,-0.3 -0.340 22.6-139.2 -70.5 143.1 23.2 15.0 49.3 35 332 A I - 0 0 14 -10,-0.1 -10,-0.2 1,-0.1 3,-0.1 -0.947 19.5-169.7 -95.0 121.7 19.8 16.5 50.3 36 333 A V - 0 0 33 -12,-2.9 2,-0.3 -2,-0.6 -11,-0.1 0.631 56.7 -18.1 -93.9 -12.6 20.7 20.1 51.1 37 334 A G E -C 24 0A 0 -13,-0.6 -13,-2.4 13,-0.1 2,-0.4 -0.932 53.5-135.5 175.2 158.3 17.5 21.3 52.8 38 335 A I E -CD 23 49A 0 11,-2.0 11,-2.7 -2,-0.3 2,-0.4 -0.985 14.0-171.2-133.3 135.8 13.8 20.6 53.2 39 336 A A E -CD 22 48A 0 -17,-2.1 -17,-2.6 -2,-0.4 2,-0.4 -0.998 0.7-170.7-128.8 141.9 10.8 22.9 53.0 40 337 A V E -CD 21 47A 0 7,-2.2 7,-2.7 -2,-0.4 2,-0.4 -0.998 1.4-173.9-126.5 131.4 7.2 22.2 53.9 41 338 A V E +CD 20 46A 5 -21,-2.6 -21,-2.8 -2,-0.4 2,-0.2 -0.991 24.1 141.3-123.6 127.2 4.3 24.5 53.2 42 339 A N E > - D 0 45A 6 3,-2.5 3,-1.0 -2,-0.4 -23,-0.1 -0.810 66.6 -68.8-146.7-167.6 0.9 23.6 54.6 43 340 A E T 3 S+ 0 0 128 -25,-0.5 3,-0.1 1,-0.2 -24,-0.1 0.719 127.6 51.7 -64.0 -22.8 -2.2 25.1 56.2 44 341 A H T 3 S- 0 0 94 -31,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.592 119.7 -81.2 -92.4 -14.1 -0.3 25.9 59.4 45 342 A G E < - D 0 42A 26 -3,-1.0 -3,-2.5 -32,-0.1 2,-0.4 -0.976 51.5 -54.1 152.6-159.9 2.6 27.8 57.8 46 343 A R E - D 0 41A 87 -2,-0.3 -41,-2.5 -5,-0.2 2,-0.4 -0.978 47.6-175.2-124.3 136.5 5.9 27.6 56.1 47 344 A F E -aD 5 40A 4 -7,-2.7 -7,-2.2 -2,-0.4 2,-0.5 -0.964 18.5-159.9-137.7 138.3 8.9 25.7 57.4 48 345 A F E -aD 6 39A 2 -43,-2.5 -41,-0.9 -2,-0.4 2,-0.4 -0.989 17.8-172.1-113.2 132.8 12.5 25.0 56.6 49 346 A L E -aD 7 38A 1 -11,-2.7 -11,-2.0 -2,-0.5 -41,-0.1 -0.978 25.1-124.8-123.6 139.6 14.2 22.0 58.1 50 347 A R >> - 0 0 55 -43,-0.5 4,-2.6 -2,-0.4 3,-1.0 -0.593 25.5-130.8 -75.0 135.0 17.8 20.9 58.0 51 348 A P H 3> S+ 0 0 16 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.846 105.1 58.5 -64.7 -35.8 18.0 17.4 56.6 52 349 A E H 34 S+ 0 0 133 2,-0.2 4,-0.2 1,-0.1 -2,-0.0 0.785 114.8 40.6 -64.1 -21.6 20.2 16.0 59.3 53 350 A T H X4 S+ 0 0 40 -3,-1.0 3,-0.9 2,-0.1 4,-0.3 0.937 120.0 40.7 -84.1 -58.5 17.4 17.0 61.7 54 351 A A H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 7,-0.3 0.891 114.1 50.7 -60.4 -45.2 14.4 16.0 59.6 55 352 A L T 3< S+ 0 0 28 -4,-2.4 -1,-0.2 1,-0.3 -3,-0.1 0.580 110.6 48.7 -79.8 -8.6 15.7 12.7 58.2 56 353 A A T < S+ 0 0 82 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.2 0.290 90.4 98.8-100.0 0.4 16.8 11.3 61.6 57 354 A D <> - 0 0 34 -3,-1.3 4,-2.3 -4,-0.3 5,-0.2 -0.817 65.6-151.2 -94.2 123.0 13.4 12.2 63.1 58 355 A P H > S+ 0 0 87 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.853 94.2 50.4 -63.1 -37.5 11.1 9.2 63.3 59 356 A Q H > S+ 0 0 107 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.895 111.9 48.8 -68.9 -37.1 7.8 11.1 63.0 60 357 A F H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.935 112.9 46.9 -66.8 -44.4 9.1 13.0 59.9 61 358 A V H X S+ 0 0 41 -4,-2.3 4,-1.8 -7,-0.3 -2,-0.2 0.911 111.7 50.6 -65.0 -41.5 10.3 9.8 58.2 62 359 A A H X S+ 0 0 66 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.906 110.4 51.9 -60.5 -41.0 7.0 8.1 59.0 63 360 A W H >< S+ 0 0 7 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.933 106.9 51.5 -60.6 -43.1 5.2 11.1 57.5 64 361 A L H 3< S+ 0 0 0 -4,-2.5 27,-2.8 1,-0.3 -1,-0.2 0.884 114.2 44.2 -61.9 -38.5 7.2 11.0 54.3 65 362 A G H 3< S+ 0 0 32 -4,-1.8 2,-0.8 25,-0.2 -1,-0.3 0.383 87.3 104.9 -87.5 0.6 6.3 7.2 53.9 66 363 A D X< - 0 0 54 -3,-1.1 3,-1.8 -4,-0.6 25,-0.1 -0.749 55.0-160.9 -89.5 110.8 2.6 7.6 54.8 67 364 A E T 3 S+ 0 0 111 -2,-0.8 -1,-0.2 1,-0.3 -4,-0.0 0.745 89.5 61.9 -61.0 -23.2 0.6 7.3 51.5 68 365 A T T 3 S+ 0 0 87 1,-0.1 2,-0.8 2,-0.1 -1,-0.3 0.571 87.1 80.2 -83.7 -8.2 -2.4 9.0 53.3 69 366 A K S < S- 0 0 58 -3,-1.8 2,-0.3 -6,-0.2 -51,-0.2 -0.887 83.1-143.5 -97.7 107.7 -0.3 12.2 53.9 70 367 A K E -b 18 0A 69 -53,-2.5 -51,-2.2 -2,-0.8 2,-0.4 -0.530 17.5-168.7 -87.4 134.1 -0.5 14.0 50.5 71 368 A K E -be 19 93A 0 21,-2.5 23,-2.0 -2,-0.3 24,-1.3 -0.939 13.8-155.0-119.6 143.0 2.4 15.9 49.1 72 369 A S E +be 20 95A 0 -53,-2.7 -51,-2.6 -2,-0.4 2,-0.3 -0.960 32.8 158.1-110.6 131.1 2.7 18.3 46.2 73 370 A M E - e 0 96A 3 22,-2.6 24,-2.9 -2,-0.5 2,-0.5 -0.859 42.2-118.2-139.7 175.0 6.2 18.5 44.7 74 371 A F S S- 0 0 35 -53,-0.4 5,-0.1 -2,-0.3 39,-0.1 -0.987 97.3 -3.9-121.4 121.3 8.3 19.4 41.7 75 372 A D S >> S+ 0 0 33 -2,-0.5 4,-1.1 3,-0.1 3,-0.6 0.987 72.6 179.7 62.7 60.6 10.4 16.5 40.2 76 373 A S H 3> S+ 0 0 14 1,-0.2 4,-3.1 -3,-0.2 5,-0.2 0.784 71.6 66.2 -68.4 -25.4 9.4 14.0 42.9 77 374 A K H 3> S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.877 98.7 53.7 -59.9 -40.5 11.5 11.2 41.3 78 375 A R H <> S+ 0 0 52 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.945 113.9 41.0 -58.0 -48.8 14.7 13.1 42.1 79 376 A A H X S+ 0 0 2 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.921 114.1 53.1 -67.8 -43.3 13.6 13.4 45.7 80 377 A A H X S+ 0 0 18 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.911 112.0 44.6 -59.0 -44.6 12.3 9.8 45.8 81 378 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -49,-0.3 0.936 111.6 51.1 -68.1 -44.2 15.6 8.3 44.5 82 379 A A H < S+ 0 0 1 -4,-2.2 4,-0.5 -5,-0.2 -1,-0.2 0.886 113.6 47.1 -60.7 -35.8 17.9 10.4 46.7 83 380 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 3,-1.1 0.872 105.0 59.3 -71.0 -38.1 15.8 9.3 49.6 84 381 A K H ><5S+ 0 0 32 -4,-2.2 3,-2.0 1,-0.3 -2,-0.2 0.909 101.1 56.0 -55.2 -43.8 15.9 5.6 48.4 85 382 A W T 3<5S+ 0 0 52 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.724 108.0 48.7 -64.5 -19.1 19.7 5.8 48.7 86 383 A K T < 5S- 0 0 110 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.251 121.2-107.1 -99.7 6.7 19.3 6.9 52.4 87 384 A G T < 5S+ 0 0 67 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.739 79.2 126.9 78.6 26.0 16.8 4.0 53.1 88 385 A I < - 0 0 16 -5,-2.3 2,-0.4 -8,-0.1 -1,-0.2 -0.953 50.8-141.3-124.2 129.0 13.7 6.3 53.3 89 386 A E - 0 0 109 -2,-0.4 2,-0.6 -28,-0.1 -23,-0.1 -0.761 6.9-155.0 -92.9 133.9 10.5 5.8 51.3 90 387 A L + 0 0 23 -2,-0.4 2,-0.3 -10,-0.1 -25,-0.2 -0.950 27.4 159.9-106.0 119.5 8.6 8.7 49.9 91 388 A C + 0 0 42 -27,-2.8 -25,-0.2 -2,-0.6 3,-0.1 -0.834 41.6 50.4-130.3 172.5 4.9 8.0 49.4 92 389 A G + 0 0 1 -2,-0.3 -21,-2.5 1,-0.2 2,-0.9 0.626 56.3 155.7 76.3 16.8 1.7 10.0 49.0 93 390 A V E +e 71 0A 37 -23,-0.2 -1,-0.2 1,-0.2 -21,-0.2 -0.636 7.8 167.7 -76.6 105.2 2.9 12.4 46.2 94 391 A S E + 0 0 45 -23,-2.0 2,-0.3 -2,-0.9 -22,-0.2 0.580 61.6 35.3-101.7 -8.7 -0.4 13.3 44.6 95 392 A F E -e 72 0A 1 -24,-1.3 -22,-2.6 87,-0.1 2,-0.5 -0.944 56.4-172.3-149.7 122.6 0.8 16.2 42.4 96 393 A D E > -e 73 0A 2 -2,-0.3 4,-2.4 -24,-0.2 -22,-0.2 -0.949 8.7-162.6-115.1 111.3 4.0 16.7 40.6 97 394 A L H > S+ 0 0 0 -24,-2.9 4,-2.3 -2,-0.5 5,-0.2 0.768 88.1 58.7 -65.1 -32.4 4.3 20.2 39.1 98 395 A L H > S+ 0 0 18 -25,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.952 110.7 40.8 -61.2 -48.6 7.1 19.2 36.7 99 396 A L H > S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.870 113.7 54.7 -71.6 -33.4 5.0 16.5 35.1 100 397 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.923 111.2 44.1 -60.8 -50.6 1.9 18.8 35.1 101 398 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.908 111.5 54.7 -63.7 -41.7 3.8 21.6 33.3 102 399 A Y H < S+ 0 0 8 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.909 109.8 46.3 -57.1 -42.6 5.3 19.1 30.8 103 400 A L H < S+ 0 0 2 -4,-2.2 370,-0.5 1,-0.2 -1,-0.2 0.882 109.4 54.4 -68.0 -38.2 1.8 17.8 29.9 104 401 A L H < S- 0 0 3 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.842 136.9 -12.7 -65.0 -37.8 0.4 21.3 29.5 105 402 A D >< - 0 0 30 -4,-2.0 3,-1.7 -5,-0.1 5,-0.3 -0.478 55.4-173.9-167.2 96.0 3.2 22.3 27.0 106 403 A P G > S+ 0 0 7 0, 0.0 3,-1.0 0, 0.0 -3,-0.1 0.738 84.8 68.2 -63.3 -23.5 6.3 20.2 26.5 107 404 A A G 3 S+ 0 0 62 1,-0.2 -5,-0.1 208,-0.1 208,-0.1 0.655 82.2 77.0 -70.9 -14.0 7.8 22.9 24.2 108 405 A Q G < S- 0 0 114 -3,-1.7 -1,-0.2 -7,-0.2 3,-0.1 0.752 91.8-138.7 -68.2 -25.3 8.2 25.3 27.2 109 406 A G < - 0 0 51 -3,-1.0 2,-0.3 -4,-0.3 -2,-0.1 0.826 26.8-172.0 73.5 32.6 11.2 23.5 28.5 110 407 A V + 0 0 14 -5,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.413 23.9 149.9 -68.6 119.4 10.1 23.7 32.1 111 408 A D + 0 0 119 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.244 58.9 37.6-135.7 6.0 13.0 22.5 34.2 112 409 A D S > S- 0 0 15 1,-0.1 4,-1.8 -14,-0.0 3,-0.3 -0.977 84.6-105.8-148.5 166.6 12.6 24.4 37.4 113 410 A V H > S+ 0 0 2 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.873 117.1 56.8 -54.9 -43.2 9.7 25.7 39.6 114 411 A A H > S+ 0 0 15 12,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.869 104.8 51.1 -59.0 -43.5 10.2 29.3 38.4 115 412 A A H > S+ 0 0 30 -3,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.901 113.9 45.5 -60.5 -42.7 9.7 28.3 34.7 116 413 A A H >< S+ 0 0 0 -4,-1.8 3,-0.7 1,-0.2 4,-0.4 0.928 111.7 51.7 -61.6 -46.6 6.5 26.4 35.7 117 414 A A H ><>S+ 0 0 0 -4,-3.0 5,-1.9 1,-0.2 3,-1.8 0.882 100.6 61.8 -61.8 -36.4 5.3 29.3 37.8 118 415 A K H ><5S+ 0 0 129 -4,-2.3 3,-2.1 1,-0.3 -1,-0.2 0.843 90.4 69.5 -62.1 -28.1 5.9 31.8 35.0 119 416 A M T <<5S+ 0 0 46 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.738 107.4 37.8 -61.1 -24.1 3.3 29.9 32.9 120 417 A K T < 5S- 0 0 61 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 -0.099 122.5-101.9-116.7 31.5 0.6 31.2 35.3 121 418 A Q T < 5S+ 0 0 163 -3,-2.1 2,-0.6 1,-0.2 -3,-0.2 0.789 76.9 140.1 56.7 32.5 2.1 34.7 35.9 122 419 A Y < + 0 0 53 -5,-1.9 -1,-0.2 -8,-0.1 -2,-0.2 -0.952 13.9 159.4-107.7 115.0 3.6 33.8 39.3 123 420 A E + 0 0 128 -2,-0.6 2,-0.8 -3,-0.1 -1,-0.1 0.178 36.2 109.2-124.3 16.7 7.1 35.3 39.7 124 421 A A S S+ 0 0 44 28,-0.1 2,-0.3 -7,-0.1 32,-0.1 -0.182 71.6 71.4 -90.7 43.1 7.7 35.3 43.5 125 422 A V S S- 0 0 11 -2,-0.8 24,-0.1 -11,-0.1 -3,-0.0 -0.969 78.5-127.3-155.4 135.7 10.3 32.5 43.1 126 423 A R - 0 0 103 -2,-0.3 -12,-0.3 23,-0.1 2,-0.1 -0.642 30.1-101.3 -88.1 151.3 13.8 32.6 41.7 127 424 A P >> - 0 0 61 0, 0.0 4,-1.0 0, 0.0 3,-1.0 -0.479 30.5-121.9 -62.4 140.5 15.2 30.3 39.0 128 425 A D H >> S+ 0 0 34 1,-0.3 4,-3.1 2,-0.2 3,-0.7 0.862 112.8 59.5 -49.1 -41.4 17.4 27.7 40.4 129 426 A E H 3> S+ 0 0 109 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.832 101.0 54.2 -61.2 -34.4 20.3 28.9 38.2 130 427 A A H <4 S+ 0 0 57 -3,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.797 116.4 37.6 -67.6 -28.8 20.1 32.4 39.8 131 428 A V H << S+ 0 0 15 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.1 0.876 126.6 32.7 -91.5 -44.2 20.5 30.9 43.3 132 429 A Y H < S- 0 0 5 -4,-3.1 7,-2.7 1,-0.2 -3,-0.2 0.634 100.0-135.7 -89.8 -15.4 23.0 28.1 42.7 133 430 A G < - 0 0 25 -4,-1.5 2,-0.3 -5,-0.4 -1,-0.2 -0.240 26.5 -82.4 81.4 178.3 25.0 29.7 39.8 134 431 A K S > S- 0 0 142 4,-0.1 3,-1.4 -4,-0.1 4,-0.1 -0.943 71.6 -28.0-126.3 148.0 26.1 27.8 36.7 135 432 A G G > S+ 0 0 54 -2,-0.3 3,-1.7 1,-0.3 0, 0.0 -0.218 127.7 2.6 62.1-133.0 28.9 25.5 35.7 136 433 A A G 3 S+ 0 0 111 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.852 134.2 56.4 -53.4 -35.1 32.2 25.8 37.6 137 434 A K G < S+ 0 0 181 -3,-1.4 -1,-0.2 2,-0.0 -2,-0.2 0.463 76.4 127.2 -80.8 -1.3 30.6 28.5 39.8 138 435 A R < + 0 0 108 -3,-1.7 2,-0.3 -5,-0.1 -5,-0.2 -0.309 32.6 152.1 -60.6 130.3 27.7 26.3 40.9 139 436 A A - 0 0 59 -7,-2.7 -2,-0.0 -6,-0.0 -3,-0.0 -0.977 50.1-109.8-161.8 148.2 27.5 26.3 44.7 140 437 A V - 0 0 74 -2,-0.3 3,-0.1 1,-0.1 -8,-0.1 -0.714 45.0-135.8 -76.7 129.9 25.0 25.8 47.6 141 438 A P - 0 0 34 0, 0.0 -1,-0.1 0, 0.0 -9,-0.0 -0.263 33.3 -65.7 -83.5 177.5 24.5 29.3 49.2 142 439 A D >> - 0 0 131 1,-0.1 4,-2.6 4,-0.1 3,-0.9 -0.186 56.8 -99.3 -57.8 153.3 24.4 30.1 52.9 143 440 A E H 3> S+ 0 0 75 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.807 119.4 52.3 -49.5 -44.0 21.6 28.8 55.0 144 441 A P H 3> S+ 0 0 87 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.900 114.6 42.3 -63.4 -36.2 19.4 32.0 54.9 145 442 A V H <> S+ 0 0 65 -3,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.921 117.7 46.4 -75.1 -42.7 19.6 32.3 51.1 146 443 A L H X S+ 0 0 10 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.939 111.9 51.8 -61.7 -44.9 19.1 28.6 50.6 147 444 A A H X S+ 0 0 0 -4,-3.1 4,-2.3 -5,-0.3 5,-0.2 0.912 109.1 48.3 -65.1 -43.6 16.2 28.5 53.1 148 445 A E H X S+ 0 0 41 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.900 110.8 52.4 -63.6 -41.3 14.3 31.3 51.6 149 446 A H H X S+ 0 0 3 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.964 110.9 46.2 -54.8 -52.9 14.7 29.7 48.1 150 447 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.878 113.1 48.6 -63.7 -38.5 13.3 26.4 49.2 151 448 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.905 110.2 52.2 -65.5 -41.4 10.4 28.0 51.0 152 449 A R H X S+ 0 0 45 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.902 110.4 49.2 -60.5 -39.2 9.6 30.2 47.9 153 450 A K H X S+ 0 0 10 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.939 112.3 46.8 -65.4 -44.8 9.6 27.0 45.8 154 451 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.913 111.8 51.4 -62.4 -40.9 7.3 25.2 48.2 155 452 A A H X S+ 0 0 8 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.877 109.7 50.1 -63.4 -38.8 5.0 28.2 48.4 156 453 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.933 110.8 49.6 -64.3 -45.9 4.8 28.4 44.5 157 454 A I H X S+ 0 0 1 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.942 110.5 50.2 -58.6 -47.7 4.0 24.7 44.4 158 455 A W H < S+ 0 0 92 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.875 116.1 42.1 -56.1 -43.4 1.2 25.2 47.0 159 456 A A H < S+ 0 0 47 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.782 115.4 48.4 -74.8 -30.9 -0.2 28.1 45.0 160 457 A L H X S+ 0 0 5 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.619 85.2 84.9 -93.3 -13.9 0.1 26.6 41.6 161 458 A E H X S+ 0 0 30 -4,-1.4 4,-2.8 -5,-0.2 5,-0.2 0.947 92.6 46.8 -51.9 -55.8 -1.5 23.1 42.1 162 459 A R H > S+ 0 0 194 -4,-0.4 4,-2.6 1,-0.2 5,-0.2 0.936 113.2 45.5 -59.5 -52.2 -5.1 24.2 41.6 163 460 A P H > S+ 0 0 44 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.886 115.3 48.6 -62.8 -33.5 -4.6 26.3 38.5 164 461 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.957 112.7 47.0 -67.2 -45.2 -2.4 23.6 36.9 165 462 A L H X S+ 0 0 53 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.898 110.1 54.2 -63.6 -39.6 -5.0 20.9 37.8 166 463 A D H X S+ 0 0 74 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.935 111.2 44.9 -59.5 -44.0 -7.8 23.1 36.4 167 464 A E H X S+ 0 0 41 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.931 110.9 53.0 -68.9 -43.5 -6.0 23.5 33.0 168 465 A L H <>S+ 0 0 0 -4,-2.7 5,-3.1 1,-0.2 6,-0.6 0.922 110.4 49.2 -51.4 -44.6 -5.2 19.7 32.8 169 466 A R H ><5S+ 0 0 173 -4,-2.3 3,-1.6 -5,-0.2 -1,-0.2 0.906 108.1 51.5 -67.2 -39.9 -8.8 19.0 33.4 170 467 A R H 3<5S+ 0 0 165 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.888 112.9 48.0 -63.1 -35.1 -10.0 21.5 30.6 171 468 A N T 3<5S- 0 0 22 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.391 115.0-118.7 -79.7 1.7 -7.5 19.7 28.3 172 469 A E T < 5S+ 0 0 132 -3,-1.6 -3,-0.2 -5,-0.1 4,-0.1 0.866 85.6 114.2 54.5 38.6 -8.8 16.2 29.4 173 470 A Q >< + 0 0 0 -5,-3.1 4,-1.8 -6,-0.2 -4,-0.2 0.255 34.6 98.5-116.6 6.7 -5.3 15.4 30.7 174 471 A D H > S+ 0 0 41 -6,-0.6 4,-2.3 1,-0.2 5,-0.2 0.915 88.9 44.9 -69.4 -37.6 -6.0 15.1 34.4 175 472 A R H >>S+ 0 0 158 2,-0.2 4,-3.1 1,-0.2 5,-0.7 0.855 107.2 60.8 -69.3 -35.9 -6.1 11.3 34.2 176 473 A L H >>S+ 0 0 9 3,-0.2 5,-2.8 1,-0.2 4,-0.7 0.900 112.2 38.2 -53.2 -44.6 -3.0 11.3 32.1 177 474 A L H <>S+ 0 0 0 -4,-1.8 5,-2.6 3,-0.2 -2,-0.2 0.964 125.5 36.3 -68.5 -53.4 -1.1 13.0 35.0 178 475 A V H <5S+ 0 0 72 -4,-2.3 -3,-0.2 1,-0.2 -2,-0.2 0.841 127.8 31.0 -76.4 -35.1 -2.7 11.1 37.8 179 476 A E H <5S+ 0 0 101 -4,-3.1 -3,-0.2 -5,-0.2 -1,-0.2 0.561 133.3 18.5-102.7 -12.4 -3.1 7.6 36.3 180 477 A L T X S+ 0 0 42 0, 0.0 4,-1.5 0, 0.0 3,-0.2 0.910 113.0 54.2 -63.4 -31.7 2.6 6.3 38.7 184 481 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.873 99.2 61.0 -66.9 -34.6 5.2 5.9 36.0 185 482 A S H X S+ 0 0 5 -4,-1.7 4,-1.9 -3,-0.3 -1,-0.2 0.900 103.9 49.6 -62.7 -40.9 7.5 8.2 37.8 186 483 A S H X S+ 0 0 69 -4,-1.4 4,-1.8 -3,-0.2 -1,-0.2 0.894 111.1 50.0 -58.5 -41.5 7.5 5.8 40.8 187 484 A I H X S+ 0 0 8 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.915 110.8 48.5 -67.2 -42.5 8.3 2.9 38.5 188 485 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.886 107.5 55.4 -66.7 -35.0 11.1 4.7 36.9 189 486 A A H X S+ 0 0 2 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.909 109.4 47.4 -62.4 -43.1 12.6 5.7 40.3 190 487 A E H X S+ 0 0 75 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.885 112.4 49.8 -65.3 -40.0 12.6 1.9 41.2 191 488 A M H X S+ 0 0 5 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.909 113.1 45.4 -65.9 -44.3 14.3 1.1 37.8 192 489 A E H < S+ 0 0 0 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.920 113.7 49.5 -65.9 -42.9 17.0 3.8 38.3 193 490 A F H < S+ 0 0 76 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.911 109.5 51.6 -63.4 -41.5 17.6 2.8 41.9 194 491 A A H < S- 0 0 18 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.922 94.0-172.8 -62.5 -43.1 18.0 -0.9 41.0 195 492 A G < - 0 0 3 -4,-2.0 2,-0.4 -5,-0.2 111,-0.2 -0.054 26.7 -86.7 75.2 173.9 20.5 -0.1 38.2 196 493 A V E -F 305 0B 8 109,-2.2 109,-2.4 -4,-0.1 2,-0.2 -0.997 38.9-123.0-122.4 133.1 21.9 -2.6 35.7 197 494 A K E -FG 304 344B 59 147,-0.7 147,-2.1 -2,-0.4 2,-0.4 -0.482 24.4-154.8 -77.9 140.2 25.0 -4.7 36.5 198 495 A V E - G 0 343B 3 105,-2.8 2,-1.4 145,-0.2 145,-0.2 -0.963 18.6-137.1-120.6 134.8 28.0 -4.4 34.3 199 496 A D > + 0 0 60 143,-2.6 4,-1.8 -2,-0.4 3,-0.3 -0.731 28.4 179.8 -83.5 86.4 30.8 -6.9 33.7 200 497 A T H > S+ 0 0 17 -2,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.849 75.0 61.0 -63.9 -32.3 33.5 -4.3 33.9 201 498 A K H > S+ 0 0 128 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.911 105.5 46.9 -62.3 -42.1 36.2 -6.9 33.3 202 499 A R H > S+ 0 0 104 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.903 112.3 50.6 -63.8 -41.5 34.7 -7.8 29.9 203 500 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.895 109.8 51.1 -63.0 -41.2 34.4 -4.1 29.0 204 501 A E H X S+ 0 0 91 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.898 110.0 46.9 -66.0 -41.5 38.1 -3.5 29.9 205 502 A Q H X S+ 0 0 121 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.897 111.1 52.2 -73.7 -35.0 39.5 -6.4 27.9 206 503 A M H X S+ 0 0 29 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.923 108.6 52.3 -57.0 -46.3 37.3 -5.3 24.9 207 504 A G H X S+ 0 0 8 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.888 107.1 52.1 -57.9 -41.6 38.8 -1.8 25.4 208 505 A E H X S+ 0 0 125 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.912 110.8 47.1 -60.5 -45.0 42.4 -3.3 25.3 209 506 A E H X S+ 0 0 121 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.921 112.8 49.4 -65.0 -41.9 41.6 -5.1 22.0 210 507 A L H X S+ 0 0 18 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.891 107.4 54.1 -62.8 -41.1 40.1 -1.9 20.5 211 508 A A H X S+ 0 0 24 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.912 108.9 49.4 -62.3 -41.3 43.1 0.2 21.6 212 509 A E H X S+ 0 0 126 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.903 112.7 46.7 -63.4 -44.2 45.4 -2.3 19.8 213 510 A Q H X S+ 0 0 75 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.887 111.1 52.4 -64.2 -41.2 43.3 -2.2 16.7 214 511 A L H X S+ 0 0 22 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.901 107.1 52.0 -59.9 -45.3 43.1 1.7 16.8 215 512 A R H X S+ 0 0 149 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.914 110.7 48.6 -60.1 -46.1 46.9 1.9 17.0 216 513 A T H X S+ 0 0 95 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.968 116.1 41.0 -58.4 -53.4 47.4 -0.3 14.0 217 514 A V H X S+ 0 0 11 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.884 111.6 56.7 -66.6 -37.3 44.8 1.6 11.8 218 515 A E H X S+ 0 0 57 -4,-2.9 4,-1.9 -5,-0.2 -1,-0.2 0.924 108.6 47.3 -57.9 -43.7 46.0 5.0 13.1 219 516 A Q H X S+ 0 0 93 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.905 110.0 52.8 -64.6 -41.2 49.5 4.2 11.9 220 517 A R H X S+ 0 0 83 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.898 108.0 51.9 -62.7 -39.8 48.2 3.0 8.6 221 518 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.881 109.0 48.6 -63.6 -41.3 46.4 6.3 8.1 222 519 A Y H X>S+ 0 0 28 -4,-1.9 5,-2.1 2,-0.2 4,-1.0 0.893 111.7 50.7 -67.4 -40.8 49.5 8.4 8.8 223 520 A E H ><5S+ 0 0 119 -4,-2.2 3,-0.8 2,-0.2 -2,-0.2 0.951 113.3 44.7 -56.8 -52.5 51.5 6.3 6.3 224 521 A L H 3<5S+ 0 0 32 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.841 116.2 46.3 -67.0 -33.0 48.8 6.8 3.7 225 522 A 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-2,-0.7 4,-2.0 1,-0.1 -1,-0.2 0.867 77.4 165.3 50.7 44.9 6.1 -2.4 14.4 360 657 A I H > S+ 0 0 1 -3,-0.3 4,-2.6 1,-0.2 5,-0.2 0.901 70.4 55.1 -57.1 -39.0 4.1 -0.5 17.1 361 658 A E H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.940 110.5 42.7 -66.7 -44.9 4.3 2.8 15.2 362 659 A L H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.843 112.9 54.1 -70.5 -32.1 2.8 1.5 12.0 363 660 A R H X S+ 0 0 5 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.914 108.9 48.4 -63.7 -42.8 0.2 -0.5 13.9 364 661 A V H X S+ 0 0 2 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.935 111.2 51.1 -57.3 -45.1 -0.8 2.8 15.6 365 662 A L H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.919 107.3 53.2 -59.4 -45.2 -0.9 4.5 12.2 366 663 A A H X>S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 5,-0.9 0.910 113.6 44.1 -51.2 -50.5 -3.1 1.7 10.9 367 664 A H H <5S+ 0 0 27 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.912 116.6 42.7 -64.4 -48.7 -5.5 2.3 13.8 368 665 A I H <5S+ 0 0 42 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.877 121.5 39.5 -73.8 -32.1 -5.6 6.0 13.7 369 666 A A H <5S- 0 0 9 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.661 93.2-142.3 -85.3 -17.4 -5.8 6.3 9.9 370 667 A E T <5 + 0 0 104 -4,-1.3 2,-0.6 -5,-0.3 -3,-0.2 0.933 31.7 178.0 49.8 46.2 -8.2 3.3 9.6 371 668 A D >< - 0 0 3 -5,-0.9 4,-2.9 -6,-0.2 5,-0.2 -0.745 22.9-151.2 -80.8 117.5 -6.3 2.5 6.4 372 669 A D H > S+ 0 0 129 -2,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.891 92.8 47.7 -60.0 -40.5 -8.0 -0.8 5.1 373 670 A N H > S+ 0 0 42 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.920 114.9 43.6 -67.2 -47.4 -4.9 -2.0 3.4 374 671 A L H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.887 114.1 50.6 -66.5 -40.1 -2.6 -1.4 6.3 375 672 A M H X S+ 0 0 11 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.936 110.6 50.1 -63.0 -42.4 -5.1 -2.8 8.8 376 673 A E H X S+ 0 0 78 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.911 107.6 54.9 -61.2 -45.4 -5.5 -6.0 6.7 377 674 A A H <>S+ 0 0 2 -4,-2.3 5,-2.6 1,-0.2 -1,-0.2 0.901 112.3 41.5 -53.3 -49.7 -1.7 -6.3 6.5 378 675 A F H ><5S+ 0 0 3 -4,-1.8 3,-1.4 3,-0.2 -1,-0.2 0.870 109.8 58.3 -70.8 -32.1 -1.3 -6.3 10.3 379 676 A R H 3<5S+ 0 0 137 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.821 110.8 44.0 -65.7 -27.3 -4.4 -8.5 10.8 380 677 A R T 3<5S- 0 0 154 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.426 110.3-127.8 -91.3 2.8 -2.6 -11.0 8.7 381 678 A D T < 5 + 0 0 73 -3,-1.4 -3,-0.2 -5,-0.2 -2,-0.1 0.861 47.0 174.7 47.6 44.3 0.7 -10.4 10.6 382 679 A L < - 0 0 59 -5,-2.6 2,-0.7 -6,-0.1 -1,-0.1 -0.313 46.6 -96.0 -72.6 158.0 2.5 -9.8 7.3 383 680 A D > - 0 0 74 1,-0.2 4,-2.4 2,-0.0 5,-0.2 -0.693 41.0-153.1 -68.3 111.5 6.1 -8.7 6.9 384 681 A I H > S+ 0 0 6 -2,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.787 87.3 53.8 -71.2 -31.3 5.2 -5.0 6.5 385 682 A H H > S+ 0 0 15 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 111.8 44.1 -66.7 -43.6 8.3 -4.1 4.5 386 683 A T H > S+ 0 0 19 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.909 114.1 50.2 -62.6 -45.1 7.7 -6.8 1.9 387 684 A K H X S+ 0 0 29 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.915 110.0 50.3 -64.0 -41.9 4.0 -6.0 1.7 388 685 A T H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.926 111.3 49.6 -63.2 -40.8 4.8 -2.3 1.2 389 686 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 6,-0.3 0.902 108.2 53.0 -58.6 -46.4 7.2 -3.2 -1.6 390 687 A M H X>S+ 0 0 48 -4,-2.6 5,-1.4 1,-0.2 4,-0.7 0.913 114.9 41.8 -58.5 -41.9 4.6 -5.4 -3.2 391 688 A D H <5S+ 0 0 32 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.942 116.4 45.0 -72.7 -48.4 2.1 -2.6 -3.3 392 689 A I H <5S+ 0 0 6 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.914 124.8 33.2 -65.7 -44.5 4.4 0.3 -4.3 393 690 A F H <5S- 0 0 58 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.534 103.6-129.2 -89.7 -4.1 6.1 -1.7 -7.0 394 691 A Q T <5 + 0 0 146 -4,-0.7 2,-0.3 -5,-0.3 -3,-0.2 0.910 60.9 131.8 56.2 49.7 3.0 -3.7 -8.0 395 692 A V < - 0 0 36 -5,-1.4 -1,-0.2 -6,-0.3 -2,-0.1 -0.845 59.3-103.9-124.4 163.8 4.7 -7.1 -7.8 396 693 A S > - 0 0 53 -2,-0.3 3,-1.6 1,-0.1 4,-0.3 -0.355 43.1 -99.7 -77.4 166.0 4.0 -10.4 -6.3 397 694 A E G > S+ 0 0 134 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.890 122.6 53.5 -57.4 -44.7 5.8 -11.5 -3.1 398 695 A D G 3 S+ 0 0 140 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.588 104.6 57.6 -71.8 -7.8 8.3 -13.8 -5.0 399 696 A E G < S+ 0 0 109 -3,-1.6 2,-0.7 2,-0.1 -1,-0.3 0.416 77.6 109.8 -93.8 -2.5 9.2 -10.8 -7.3 400 697 A V < - 0 0 28 -3,-1.6 -10,-0.1 -4,-0.3 -14,-0.0 -0.650 57.7-157.7 -75.0 115.4 10.2 -8.6 -4.3 401 698 A T > - 0 0 66 -2,-0.7 4,-2.3 1,-0.1 5,-0.2 -0.476 29.9-104.9 -85.6 164.5 14.0 -8.2 -4.5 402 699 A P H > S+ 0 0 115 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.918 121.9 51.3 -56.4 -38.9 16.2 -7.3 -1.6 403 700 A N H > S+ 0 0 81 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.861 107.6 53.3 -66.3 -36.1 16.7 -3.8 -2.9 404 701 A M H > S+ 0 0 30 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.938 110.3 47.2 -63.5 -44.3 12.9 -3.3 -3.3 405 702 A R H X S+ 0 0 76 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.890 109.7 53.1 -64.6 -38.8 12.4 -4.3 0.3 406 703 A R H X S+ 0 0 119 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.927 110.7 47.0 -61.0 -45.6 15.1 -2.0 1.5 407 704 A Q H X S+ 0 0 30 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.908 112.0 49.8 -65.2 -41.7 13.6 0.9 -0.3 408 705 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.873 109.2 52.4 -57.8 -41.7 10.1 0.1 1.1 409 706 A K H X S+ 0 0 107 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.871 107.1 53.4 -63.8 -38.8 11.5 -0.1 4.6 410 707 A A H X S+ 0 0 17 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.887 108.1 49.4 -62.4 -42.0 13.1 3.3 4.1 411 708 A V H X S+ 0 0 5 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.955 112.4 48.4 -61.1 -48.0 9.7 4.7 3.1 412 709 A N H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.903 109.7 51.8 -59.5 -41.9 8.2 3.1 6.2 413 710 A F H X S+ 0 0 98 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.887 107.3 53.9 -61.6 -41.1 10.9 4.5 8.4 414 711 A G H X>S+ 0 0 10 -4,-2.2 5,-1.5 2,-0.2 4,-1.3 0.873 109.1 47.9 -59.1 -41.5 10.2 7.9 7.0 415 712 A I H <5S+ 0 0 23 -4,-2.0 3,-0.4 2,-0.2 -2,-0.2 0.950 112.0 49.0 -65.9 -45.3 6.6 7.5 8.0 416 713 A V H <5S+ 0 0 9 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.872 123.2 31.9 -64.2 -35.3 7.5 6.4 11.5 417 714 A Y H <5S- 0 0 88 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.482 104.4-120.9-106.6 -0.2 10.0 9.3 12.1 418 715 A G T <5 + 0 0 14 -4,-1.3 -3,-0.2 -3,-0.4 2,-0.1 0.901 47.2 171.8 64.1 43.3 8.4 12.0 10.0 419 716 A I < - 0 0 46 -5,-1.5 -1,-0.2 -6,-0.2 2,-0.0 -0.484 30.4-114.0 -80.2 156.1 11.3 12.6 7.7 420 717 A S > - 0 0 26 -2,-0.1 4,-2.2 1,-0.1 -1,-0.1 -0.269 27.9-103.3 -78.0 170.3 11.0 14.9 4.7 421 718 A D H > S+ 0 0 54 2,-0.2 4,-3.0 1,-0.2 5,-0.1 0.832 128.2 53.0 -59.9 -33.2 11.2 13.9 1.0 422 719 A Y H > S+ 0 0 128 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.922 108.4 49.5 -64.8 -46.6 14.7 15.4 1.1 423 720 A G H > S+ 0 0 9 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.896 112.3 47.1 -56.6 -42.4 15.4 13.2 4.1 424 721 A L H X S+ 0 0 4 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.916 111.4 50.6 -68.4 -48.7 14.1 10.2 2.2 425 722 A A H X>S+ 0 0 10 -4,-3.0 5,-2.1 2,-0.2 4,-0.6 0.882 113.5 47.1 -45.8 -48.1 16.1 11.2 -0.9 426 723 A Q H ><5S+ 0 0 121 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.934 111.2 49.6 -66.5 -48.1 19.2 11.4 1.4 427 724 A N H 3<5S+ 0 0 80 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.781 120.6 36.3 -63.7 -26.9 18.5 8.1 3.1 428 725 A L H 3<5S- 0 0 9 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.379 103.9-125.2-106.7 2.8 18.1 6.3 -0.3 429 726 A N T <<5S+ 0 0 117 -3,-0.8 2,-0.2 -4,-0.6 -3,-0.2 0.903 71.0 119.6 48.9 47.9 20.7 8.2 -2.2 430 727 A I < - 0 0 38 -5,-2.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.767 69.7 -79.6-127.0 175.3 18.2 9.2 -4.9 431 728 A S > - 0 0 55 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.347 35.2-116.2 -75.4 158.5 16.9 12.5 -6.2 432 729 A R H > S+ 0 0 120 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.894 117.0 55.6 -56.2 -42.9 14.2 14.5 -4.5 433 730 A K H > S+ 0 0 150 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.910 107.8 46.6 -56.2 -50.0 12.0 14.0 -7.5 434 731 A E H > S+ 0 0 93 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.858 110.5 53.0 -63.2 -37.0 12.3 10.2 -7.3 435 732 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.908 107.3 51.7 -66.1 -38.8 11.6 10.3 -3.5 436 733 A A H X S+ 0 0 40 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.911 108.3 53.1 -62.2 -42.8 8.4 12.3 -4.2 437 734 A E H X S+ 0 0 111 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.885 108.5 49.1 -56.8 -42.9 7.4 9.6 -6.7 438 735 A F H X S+ 0 0 28 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.957 112.3 47.9 -60.3 -50.2 7.9 6.9 -4.0 439 736 A I H X S+ 0 0 46 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.898 112.4 49.1 -60.0 -42.7 5.8 8.8 -1.5 440 737 A E H X S+ 0 0 121 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.851 110.4 50.5 -65.8 -36.5 3.1 9.4 -4.1 441 738 A R H X S+ 0 0 46 -4,-2.1 4,-1.1 -5,-0.2 -2,-0.2 0.892 107.8 54.8 -70.7 -34.4 3.1 5.7 -5.0 442 739 A Y H >X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 3,-0.7 0.933 106.2 50.0 -61.8 -48.6 2.8 4.9 -1.3 443 740 A F H 3< S+ 0 0 47 -4,-2.1 7,-0.3 1,-0.2 -1,-0.2 0.798 103.9 59.4 -64.3 -29.1 -0.3 7.1 -0.9 444 741 A E H 3< S+ 0 0 119 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.805 112.5 39.8 -65.5 -31.5 -2.0 5.4 -3.9 445 742 A S H << S+ 0 0 19 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.740 126.8 34.5 -85.8 -28.5 -1.6 2.0 -2.0 446 743 A F >X + 0 0 0 -4,-1.8 4,-1.8 -5,-0.1 3,-0.6 -0.625 67.2 162.0-125.2 66.5 -2.5 3.4 1.4 447 744 A P H 3> S+ 0 0 69 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.790 74.7 59.9 -62.1 -24.6 -5.1 6.2 0.7 448 745 A G H 3> S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.879 103.5 50.2 -70.7 -35.6 -6.3 6.2 4.3 449 746 A V H <> S+ 0 0 0 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.916 110.1 51.4 -67.1 -39.9 -2.8 7.1 5.4 450 747 A K H X S+ 0 0 99 -4,-1.8 4,-2.4 -7,-0.3 -2,-0.2 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