==== 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 4B9U . COMPND 2 MOLECULE: DNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR T.H.GEHRKE,U.LISCHKE,S.ARNOLD,S.SCHNEIDER,T.CARELL . 580 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27710.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 413 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 9.0 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 . 26 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 241 41.6 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 0 3 0 1 1 1 0 0 0 0 0 0 0 1 0 1 0 1 RESIDUES PER ALPHA HELIX . 0 1 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 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 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 1 297 A A 0 0 138 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 102.7 10.6 -41.4 -50.6 2 298 A K - 0 0 89 1,-0.1 2,-0.3 0, 0.0 147,-0.0 -0.426 360.0-123.0 -74.1 144.7 11.4 -38.2 -52.6 3 299 A M - 0 0 29 -2,-0.1 2,-0.1 1,-0.1 150,-0.1 -0.689 30.1-111.3 -88.5 137.5 8.7 -35.4 -52.9 4 300 A A + 0 0 72 -2,-0.3 2,-0.3 148,-0.0 -1,-0.1 -0.446 53.3 139.6 -74.2 139.3 7.7 -34.5 -56.4 5 301 A F - 0 0 56 -2,-0.1 2,-0.6 41,-0.1 43,-0.2 -0.961 50.2-107.9-166.1 163.0 8.6 -31.0 -57.6 6 302 A T E -a 48 0A 77 41,-2.4 43,-2.5 -2,-0.3 2,-1.6 -0.873 18.0-150.0 -98.7 118.9 9.9 -29.1 -60.7 7 303 A L E -a 49 0A 60 -2,-0.6 43,-0.1 41,-0.2 41,-0.1 -0.699 33.2-161.8 -82.5 85.0 13.5 -28.0 -60.5 8 304 A A - 0 0 9 -2,-1.6 43,-0.5 41,-1.4 3,-0.1 -0.303 29.9-170.8 -74.8 150.5 12.8 -25.0 -62.7 9 305 A D S S+ 0 0 118 1,-0.2 2,-0.3 41,-0.1 -1,-0.1 0.218 78.4 38.6-122.4 13.1 15.4 -22.9 -64.6 10 306 A R S S- 0 0 165 48,-0.0 2,-0.3 45,-0.0 -1,-0.2 -0.968 88.3-108.0-150.1 151.8 13.0 -20.2 -65.7 11 307 A V - 0 0 10 -2,-0.3 2,-0.3 43,-0.1 49,-0.1 -0.641 36.5-164.8 -77.2 137.7 10.1 -18.5 -63.9 12 308 A T > - 0 0 34 -2,-0.3 3,-1.5 1,-0.1 4,-0.3 -0.821 32.2-111.1-122.1 162.2 6.6 -19.4 -65.2 13 309 A E G > S+ 0 0 145 -2,-0.3 3,-2.3 1,-0.3 -1,-0.1 0.870 113.6 60.3 -56.5 -40.0 3.1 -17.9 -64.8 14 310 A E G > S+ 0 0 93 1,-0.3 3,-0.5 2,-0.2 31,-0.4 0.636 96.6 61.8 -73.5 -9.6 1.8 -20.8 -62.7 15 311 A M G < S+ 0 0 3 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.513 96.6 62.7 -81.1 -11.1 4.5 -20.0 -60.1 16 312 A L G < S+ 0 0 16 -3,-2.3 -1,-0.2 -4,-0.3 -2,-0.2 -0.091 70.5 146.9-113.0 32.5 3.0 -16.6 -59.6 17 313 A A < - 0 0 13 -3,-0.5 -3,-0.0 1,-0.1 3,-0.0 -0.198 60.5-111.5 -57.7 159.6 -0.5 -17.6 -58.3 18 314 A D S S+ 0 0 90 1,-0.1 53,-2.3 52,-0.1 2,-0.3 0.350 103.0 46.6 -90.0 11.9 -2.1 -15.3 -55.8 19 315 A K E S+b 71 0A 64 51,-0.2 25,-0.5 2,-0.0 2,-0.3 -0.927 74.2 145.9-145.7 127.0 -1.7 -17.7 -52.9 20 316 A A E -bC 72 43A 0 51,-2.0 53,-2.5 -2,-0.3 2,-0.5 -0.996 48.0-122.4-154.3 152.5 1.5 -19.6 -52.2 21 317 A A E -bC 73 42A 0 21,-3.0 21,-2.5 -2,-0.3 2,-0.4 -0.879 41.6-166.5 -90.6 132.6 3.8 -21.1 -49.5 22 318 A L E - C 0 41A 1 51,-2.5 2,-0.4 -2,-0.5 53,-0.4 -0.981 18.9-170.9-128.9 136.7 7.2 -19.4 -50.1 23 319 A V E + C 0 40A 10 17,-2.4 17,-2.1 -2,-0.4 2,-0.5 -0.997 4.9 178.9-125.6 123.2 10.7 -20.3 -48.8 24 320 A V E - C 0 39A 10 -2,-0.4 2,-0.5 15,-0.2 15,-0.2 -0.943 29.6-145.3-122.2 98.6 13.5 -17.8 -49.4 25 321 A E E + C 0 38A 18 13,-2.2 12,-2.5 -2,-0.5 13,-0.6 -0.606 28.3 172.3 -90.0 123.6 16.4 -19.6 -47.7 26 322 A V - 0 0 6 -2,-0.5 10,-0.1 10,-0.2 5,-0.1 -0.974 4.6-178.9-124.1 111.6 19.1 -17.7 -45.8 27 323 A V + 0 0 14 -2,-0.5 -1,-0.1 8,-0.3 9,-0.1 0.804 51.5 97.4 -87.9 -33.5 21.3 -20.2 -44.0 28 324 A E S S- 0 0 115 7,-0.3 6,-0.1 1,-0.1 -2,-0.0 -0.365 75.9-132.8 -54.1 138.3 23.8 -17.7 -42.3 29 325 A E S S+ 0 0 150 1,-0.2 2,-0.8 2,-0.1 -1,-0.1 0.954 100.6 55.0 -60.5 -51.9 22.6 -17.1 -38.7 30 326 A N S S- 0 0 35 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.739 76.2-167.4 -81.1 110.1 23.1 -13.4 -39.1 31 327 A Y > + 0 0 3 -2,-0.8 3,-1.5 3,-0.1 2,-0.4 0.418 42.6 122.2 -83.7 -0.7 20.9 -12.6 -42.2 32 328 A H T 3 S- 0 0 6 1,-0.3 51,-0.1 275,-0.1 -2,-0.1 -0.511 96.6 -14.7 -70.9 123.3 22.1 -9.1 -42.9 33 329 A D T 3 S+ 0 0 91 -2,-0.4 -1,-0.3 49,-0.2 50,-0.1 0.845 106.2 152.4 55.1 35.8 23.6 -8.8 -46.4 34 330 A A < - 0 0 7 -3,-1.5 -1,-0.2 1,-0.1 -3,-0.1 -0.571 50.0 -94.1 -98.3 157.1 23.6 -12.6 -46.4 35 331 A P - 0 0 74 0, 0.0 2,-0.6 0, 0.0 -8,-0.3 -0.400 23.6-140.4 -67.9 146.1 23.3 -15.0 -49.3 36 332 A I - 0 0 14 -10,-0.1 -10,-0.2 1,-0.1 3,-0.1 -0.957 18.5-169.5 -97.4 119.0 19.9 -16.4 -50.4 37 333 A V - 0 0 36 -12,-2.5 2,-0.3 -2,-0.6 -11,-0.1 0.679 56.3 -20.2 -92.0 -17.6 20.8 -20.0 -51.3 38 334 A G E -C 25 0A 0 -13,-0.6 -13,-2.2 13,-0.1 2,-0.4 -0.968 53.0-132.2-179.7 166.2 17.5 -21.2 -52.9 39 335 A I E -CD 24 50A 1 11,-1.8 11,-2.5 -2,-0.3 2,-0.4 -0.987 14.0-171.2-135.4 135.7 13.8 -20.5 -53.3 40 336 A A E -CD 23 49A 0 -17,-2.1 -17,-2.4 -2,-0.4 2,-0.4 -0.999 0.4-171.7-129.4 141.5 10.8 -22.8 -53.2 41 337 A V E -CD 22 48A 0 7,-2.4 7,-3.0 -2,-0.4 2,-0.4 -0.999 1.7-175.3-126.8 129.8 7.2 -22.1 -54.1 42 338 A V E +CD 21 47A 5 -21,-2.5 -21,-3.0 -2,-0.4 2,-0.2 -0.998 23.7 140.2-122.0 127.5 4.3 -24.4 -53.4 43 339 A N E > -CD 20 46A 6 3,-2.5 3,-0.7 -2,-0.4 -23,-0.1 -0.805 66.8 -68.5-144.4-165.1 0.8 -23.4 -54.7 44 340 A E T 3 S+ 0 0 129 -25,-0.5 3,-0.1 1,-0.3 -24,-0.1 0.865 127.8 51.4 -60.9 -38.3 -2.3 -24.8 -56.3 45 341 A H T 3 S- 0 0 95 -31,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.736 120.2 -79.0 -67.5 -31.4 -0.4 -25.5 -59.5 46 342 A G E < - D 0 43A 24 -3,-0.7 -3,-2.5 -32,-0.2 2,-0.4 -0.997 50.2 -57.8 162.1-165.3 2.4 -27.4 -58.0 47 343 A R E - D 0 42A 88 -2,-0.3 -41,-2.4 -5,-0.2 2,-0.4 -0.987 47.6-176.4-121.1 138.5 5.7 -27.4 -56.2 48 344 A F E -aD 6 41A 4 -7,-3.0 -7,-2.4 -2,-0.4 2,-0.4 -0.967 20.3-159.3-139.5 136.7 8.8 -25.5 -57.6 49 345 A F E -aD 7 40A 3 -43,-2.5 -41,-1.4 -2,-0.4 2,-0.4 -0.974 18.8-172.5-108.1 133.1 12.4 -24.9 -56.8 50 346 A L E - D 0 39A 0 -11,-2.5 -11,-1.8 -2,-0.4 -41,-0.1 -0.974 25.9-123.7-122.3 142.1 14.1 -21.8 -58.3 51 347 A R >> - 0 0 55 -43,-0.5 4,-2.8 -2,-0.4 3,-1.0 -0.686 25.8-131.2 -78.1 130.9 17.7 -20.8 -58.2 52 348 A P H 3> S+ 0 0 16 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.810 104.7 57.4 -58.1 -37.9 17.9 -17.3 -56.7 53 349 A E H 34 S+ 0 0 133 2,-0.2 4,-0.4 1,-0.2 -15,-0.0 0.826 115.4 40.9 -62.8 -27.7 20.2 -15.8 -59.5 54 350 A T H X4 S+ 0 0 41 -3,-1.0 3,-0.6 2,-0.1 4,-0.3 0.959 120.6 40.4 -77.9 -57.6 17.4 -16.9 -61.9 55 351 A A H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.2 7,-0.3 0.882 114.6 49.2 -62.2 -43.5 14.4 -15.9 -59.7 56 352 A L T 3< S+ 0 0 29 -4,-2.7 -1,-0.2 1,-0.3 -3,-0.1 0.643 109.7 51.9 -81.8 -13.9 15.7 -12.6 -58.3 57 353 A A T < S+ 0 0 82 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.346 89.3 100.5 -92.3 3.4 16.8 -11.3 -61.7 58 354 A D <> - 0 0 32 -3,-1.3 4,-2.6 -4,-0.3 5,-0.3 -0.782 64.3-152.3 -95.2 118.5 13.3 -12.0 -63.1 59 355 A P H > S+ 0 0 89 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.842 94.7 49.9 -56.7 -41.5 11.1 -9.0 -63.4 60 356 A Q H > S+ 0 0 108 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.909 111.8 48.0 -64.0 -43.1 7.8 -10.9 -63.0 61 357 A F H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.941 112.8 47.7 -63.6 -47.1 9.0 -12.8 -60.0 62 358 A V H X S+ 0 0 43 -4,-2.6 4,-1.9 -7,-0.3 -2,-0.2 0.940 112.1 50.4 -61.0 -45.5 10.3 -9.6 -58.3 63 359 A A H X S+ 0 0 66 -4,-2.6 4,-0.5 -5,-0.3 -1,-0.2 0.925 110.7 50.5 -55.5 -43.3 7.0 -7.9 -59.1 64 360 A W H >< S+ 0 0 8 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.924 108.1 51.5 -62.7 -44.7 5.2 -10.9 -57.6 65 361 A L H 3< S+ 0 0 1 -4,-2.9 27,-2.8 1,-0.2 -1,-0.2 0.853 113.8 44.9 -55.5 -41.7 7.2 -10.8 -54.4 66 362 A G H 3< S+ 0 0 33 -4,-1.9 2,-0.8 25,-0.2 -1,-0.2 0.392 87.1 103.4 -84.9 -2.3 6.3 -7.1 -54.1 67 363 A D X< - 0 0 55 -3,-1.1 3,-1.6 -4,-0.5 25,-0.1 -0.766 56.3-159.1 -93.0 112.0 2.6 -7.4 -54.8 68 364 A E T 3 S+ 0 0 117 -2,-0.8 -1,-0.2 1,-0.3 -4,-0.0 0.710 90.7 60.9 -53.6 -30.7 0.6 -7.1 -51.6 69 365 A T T 3 S+ 0 0 88 1,-0.1 2,-0.8 2,-0.1 -1,-0.3 0.602 86.6 81.3 -82.7 -9.4 -2.4 -8.8 -53.3 70 366 A K S < S- 0 0 60 -3,-1.6 2,-0.3 -6,-0.2 -51,-0.2 -0.846 82.9-144.3 -94.9 107.9 -0.3 -12.0 -53.9 71 367 A K E -b 19 0A 75 -53,-2.3 -51,-2.0 -2,-0.8 2,-0.4 -0.543 17.1-168.0 -88.8 137.4 -0.5 -13.7 -50.6 72 368 A K E -be 20 94A 0 21,-2.3 23,-1.8 -2,-0.3 24,-1.2 -0.940 14.7-155.5-124.0 141.1 2.4 -15.7 -49.1 73 369 A S E +be 21 96A 0 -53,-2.5 -51,-2.5 -2,-0.4 2,-0.3 -0.950 33.1 157.3-110.2 129.0 2.7 -18.2 -46.2 74 370 A M E - e 0 97A 3 22,-2.7 24,-2.8 -2,-0.5 2,-0.4 -0.833 42.7-118.1-141.4 172.3 6.2 -18.4 -44.8 75 371 A F S S- 0 0 37 -53,-0.4 5,-0.1 -2,-0.3 39,-0.1 -0.990 97.8 -4.4-117.9 120.4 8.4 -19.3 -41.8 76 372 A D S >> S+ 0 0 33 -2,-0.4 4,-1.1 3,-0.1 3,-0.8 0.964 72.8 179.1 63.4 57.6 10.4 -16.4 -40.3 77 373 A S H 3> S+ 0 0 14 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.807 71.7 67.1 -64.9 -24.2 9.4 -14.0 -43.0 78 374 A K H 3> S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.902 98.2 53.6 -62.6 -38.1 11.5 -11.2 -41.3 79 375 A R H <> S+ 0 0 52 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.925 114.0 41.6 -57.1 -47.5 14.7 -13.1 -42.2 80 376 A A H X S+ 0 0 3 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.930 113.2 52.7 -67.2 -50.9 13.7 -13.3 -45.8 81 377 A A H X S+ 0 0 18 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.922 112.5 45.0 -52.0 -49.4 12.4 -9.7 -45.9 82 378 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -49,-0.2 0.940 111.4 51.2 -64.9 -45.2 15.6 -8.3 -44.6 83 379 A A H < S+ 0 0 1 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.864 113.4 47.1 -58.7 -36.5 17.9 -10.4 -46.8 84 380 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 3,-1.1 0.862 104.9 59.3 -73.5 -35.3 15.9 -9.2 -49.8 85 381 A K H ><5S+ 0 0 32 -4,-2.3 3,-2.2 1,-0.3 -2,-0.2 0.910 100.6 57.2 -55.8 -44.0 16.0 -5.6 -48.6 86 382 A W T 3<5S+ 0 0 53 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.756 107.8 48.7 -60.1 -19.4 19.8 -5.8 -48.8 87 383 A K T < 5S- 0 0 109 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.252 121.6-105.2-104.4 11.5 19.3 -6.8 -52.4 88 384 A G T < 5S+ 0 0 68 -3,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.711 80.9 124.3 76.4 23.9 16.9 -3.9 -53.3 89 385 A I < - 0 0 17 -5,-2.4 2,-0.4 -8,-0.1 -2,-0.2 -0.960 50.7-143.1-124.7 132.7 13.8 -6.1 -53.4 90 386 A E - 0 0 100 -2,-0.4 2,-0.5 -28,-0.1 -23,-0.1 -0.729 5.7-154.0 -93.5 141.5 10.6 -5.7 -51.3 91 387 A L + 0 0 22 -2,-0.4 2,-0.3 -25,-0.1 -25,-0.2 -0.959 27.1 161.5-111.4 121.7 8.7 -8.6 -49.9 92 388 A C + 0 0 47 -27,-2.8 -25,-0.2 -2,-0.5 3,-0.1 -0.852 41.7 50.1-131.6 170.1 5.0 -7.9 -49.4 93 389 A G + 0 0 4 -2,-0.3 -21,-2.3 1,-0.2 2,-0.9 0.629 56.1 157.4 80.7 16.4 1.8 -9.8 -48.9 94 390 A V E +e 72 0A 39 -23,-0.2 -1,-0.2 1,-0.2 -21,-0.2 -0.659 5.9 166.5 -75.6 106.8 3.0 -12.1 -46.2 95 391 A S E + 0 0 43 -23,-1.8 2,-0.3 -2,-0.9 -22,-0.2 0.480 61.5 36.3-104.0 -5.8 -0.4 -13.1 -44.6 96 392 A F E -e 73 0A 0 -24,-1.2 -22,-2.7 87,-0.1 2,-0.5 -0.940 55.6-173.5-151.8 124.4 0.8 -16.1 -42.5 97 393 A D E > -e 74 0A 1 -2,-0.3 4,-2.3 -24,-0.2 -22,-0.2 -0.951 8.6-163.5-118.8 107.8 4.1 -16.6 -40.6 98 394 A L H > S+ 0 0 0 -24,-2.8 4,-2.5 -2,-0.5 5,-0.2 0.798 88.2 57.6 -61.7 -36.2 4.3 -20.1 -39.1 99 395 A L H > S+ 0 0 19 -25,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.946 111.1 42.3 -56.3 -51.4 7.2 -19.2 -36.8 100 396 A L H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.870 113.2 53.4 -66.8 -36.4 5.0 -16.5 -35.2 101 397 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.945 111.7 44.9 -61.8 -48.0 1.9 -18.7 -35.1 102 398 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.904 111.6 53.9 -66.1 -42.7 3.8 -21.5 -33.3 103 399 A Y H < S+ 0 0 9 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.880 109.9 46.6 -57.0 -45.4 5.3 -19.0 -30.9 104 400 A L H < S+ 0 0 1 -4,-2.3 370,-0.5 1,-0.2 -2,-0.2 0.884 110.4 52.7 -64.6 -38.4 1.9 -17.6 -30.0 105 401 A L H < S- 0 0 3 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.819 136.4 -9.7 -69.4 -34.3 0.4 -21.1 -29.5 106 402 A D >< - 0 0 30 -4,-2.1 3,-1.5 -5,-0.2 5,-0.3 -0.467 55.4-175.6-167.7 97.8 3.1 -22.2 -27.1 107 403 A P G > S+ 0 0 10 0, 0.0 3,-0.7 0, 0.0 -3,-0.1 0.650 82.9 69.9 -69.2 -21.2 6.3 -20.2 -26.5 108 404 A A G 3 S+ 0 0 56 1,-0.2 -5,-0.1 208,-0.1 208,-0.1 0.651 82.9 73.3 -66.6 -19.6 7.7 -22.9 -24.2 109 405 A Q G < S- 0 0 117 -3,-1.5 -1,-0.2 -7,-0.2 3,-0.2 0.740 91.6-140.1 -69.9 -23.2 8.3 -25.2 -27.3 110 406 A G < - 0 0 49 -3,-0.7 2,-0.4 -4,-0.3 -2,-0.1 0.868 24.4-168.5 68.0 35.0 11.2 -23.2 -28.6 111 407 A V + 0 0 15 -5,-0.3 -1,-0.2 1,-0.2 -8,-0.1 -0.414 24.7 153.2 -62.7 114.5 10.1 -23.7 -32.2 112 408 A D + 0 0 120 -2,-0.4 2,-0.3 -3,-0.2 -1,-0.2 0.291 57.6 38.0-128.3 8.3 13.0 -22.5 -34.3 113 409 A D S > S- 0 0 15 1,-0.1 4,-1.8 -14,-0.0 3,-0.3 -0.972 84.5-105.7-146.4 165.3 12.5 -24.4 -37.5 114 410 A V H > S+ 0 0 2 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.894 117.4 57.7 -52.0 -43.3 9.7 -25.6 -39.7 115 411 A A H > S+ 0 0 12 12,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.867 104.6 49.8 -59.8 -43.2 10.2 -29.2 -38.5 116 412 A A H > S+ 0 0 33 -3,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.920 114.3 46.4 -64.1 -35.3 9.6 -28.3 -34.8 117 413 A A H >< S+ 0 0 0 -4,-1.8 3,-0.9 1,-0.2 4,-0.4 0.953 111.3 51.1 -69.8 -45.8 6.5 -26.4 -35.8 118 414 A A H ><>S+ 0 0 0 -4,-2.9 5,-2.2 1,-0.2 3,-1.8 0.867 101.2 62.5 -58.8 -38.9 5.2 -29.3 -37.9 119 415 A K H ><5S+ 0 0 129 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.813 90.6 68.5 -60.3 -28.5 5.7 -31.8 -35.1 120 416 A M T <<5S+ 0 0 47 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.766 108.1 37.2 -62.0 -27.2 3.1 -29.8 -33.0 121 417 A K T < 5S- 0 0 59 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 -0.098 123.0-102.0-113.5 31.7 0.5 -31.1 -35.5 122 418 A Q T < 5S+ 0 0 162 -3,-1.9 2,-0.6 1,-0.2 -3,-0.2 0.838 76.2 141.5 57.2 33.1 2.0 -34.6 -36.0 123 419 A Y < + 0 0 50 -5,-2.2 -1,-0.2 -8,-0.1 -2,-0.2 -0.967 13.0 158.6-109.1 120.4 3.5 -33.6 -39.4 124 420 A E + 0 0 132 -2,-0.6 2,-0.6 -3,-0.1 -1,-0.1 0.190 36.6 109.4-129.9 16.1 6.9 -35.2 -39.8 125 421 A A S S+ 0 0 43 28,-0.1 2,-0.3 -7,-0.1 32,-0.1 -0.116 72.2 69.1 -88.9 38.3 7.5 -35.2 -43.6 126 422 A V S S- 0 0 12 -2,-0.6 24,-0.1 -11,-0.1 -3,-0.0 -0.972 79.0-126.9-152.7 138.4 10.2 -32.5 -43.3 127 423 A R - 0 0 115 -2,-0.3 -12,-0.3 23,-0.1 2,-0.1 -0.610 30.0-101.4 -88.1 152.3 13.7 -32.6 -41.8 128 424 A P >> - 0 0 63 0, 0.0 3,-1.3 0, 0.0 4,-0.9 -0.466 31.0-122.5 -62.4 138.9 15.1 -30.3 -39.1 129 425 A D H >> S+ 0 0 36 1,-0.2 4,-3.3 2,-0.2 3,-0.7 0.846 111.7 61.4 -49.8 -38.0 17.5 -27.7 -40.6 130 426 A E H 3> S+ 0 0 110 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.804 101.0 52.5 -62.3 -30.3 20.3 -29.0 -38.4 131 427 A A H <4 S+ 0 0 58 -3,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.724 117.8 37.1 -77.4 -22.8 20.1 -32.4 -40.0 132 428 A V H << S+ 0 0 16 -4,-0.9 -2,-0.2 -3,-0.7 -3,-0.1 0.852 127.4 32.1 -95.7 -44.8 20.4 -30.9 -43.5 133 429 A Y H < S- 0 0 5 -4,-3.3 7,-3.2 1,-0.2 -3,-0.2 0.661 97.6-139.7 -88.2 -17.0 22.9 -28.1 -42.9 134 430 A G < - 0 0 24 -4,-1.3 2,-0.3 -5,-0.4 -1,-0.2 -0.342 23.3 -94.1 81.0-173.1 25.0 -29.6 -40.0 135 431 A K > - 0 0 138 -2,-0.1 3,-1.2 -4,-0.1 2,-0.1 -0.997 67.8 -13.6-145.4 155.2 26.1 -27.5 -37.0 136 432 A G G > S- 0 0 61 -2,-0.3 3,-1.9 1,-0.3 0, 0.0 -0.318 127.2 -3.6 63.0-137.8 29.1 -25.5 -35.9 137 433 A A G 3 S+ 0 0 111 1,-0.3 -1,-0.3 -2,-0.1 -3,-0.0 0.834 137.3 54.8 -54.9 -33.1 32.4 -25.9 -37.8 138 434 A K G < S+ 0 0 182 -3,-1.2 -1,-0.3 2,-0.0 -2,-0.2 0.462 76.5 127.5 -83.7 0.7 30.7 -28.6 -40.0 139 435 A R < + 0 0 109 -3,-1.9 2,-0.3 -5,-0.1 -5,-0.2 -0.330 32.8 154.3 -63.4 131.0 27.8 -26.4 -41.0 140 436 A A - 0 0 59 -7,-3.2 -2,-0.0 -8,-0.0 -3,-0.0 -0.987 49.2-112.9-157.6 150.0 27.5 -26.4 -44.9 141 437 A V - 0 0 71 -2,-0.3 -8,-0.1 1,-0.1 3,-0.1 -0.785 45.0-136.2 -80.8 127.2 24.9 -25.9 -47.7 142 438 A P - 0 0 34 0, 0.0 -1,-0.1 0, 0.0 -9,-0.0 -0.234 32.9 -66.1 -81.4 175.4 24.5 -29.3 -49.3 143 439 A D >> - 0 0 131 1,-0.1 4,-2.5 4,-0.1 3,-0.8 -0.225 57.1 -98.1 -55.6 152.9 24.4 -30.1 -53.0 144 440 A E H 3> S+ 0 0 74 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.761 118.4 53.6 -49.3 -42.6 21.4 -28.8 -55.1 145 441 A P H 3> S+ 0 0 88 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.937 114.4 41.4 -63.4 -41.1 19.3 -32.0 -55.1 146 442 A V H <> S+ 0 0 64 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.947 118.0 47.9 -68.1 -46.9 19.4 -32.3 -51.3 147 443 A L H X S+ 0 0 10 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.939 112.2 48.6 -56.3 -51.0 18.9 -28.5 -50.8 148 444 A A H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.858 110.2 50.5 -63.2 -39.4 16.0 -28.3 -53.2 149 445 A E H X S+ 0 0 53 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.907 111.1 50.1 -63.6 -41.8 14.2 -31.2 -51.7 150 446 A H H X S+ 0 0 5 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.941 111.0 47.7 -63.2 -45.9 14.6 -29.7 -48.3 151 447 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.885 112.5 48.5 -65.3 -41.5 13.3 -26.3 -49.4 152 448 A V H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.909 110.3 52.7 -63.5 -40.8 10.3 -27.9 -51.2 153 449 A R H X S+ 0 0 39 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.898 109.6 48.5 -60.9 -40.5 9.5 -30.0 -48.1 154 450 A K H X S+ 0 0 9 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.940 112.5 48.3 -63.6 -44.6 9.5 -26.9 -45.9 155 451 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.897 111.5 49.7 -59.7 -43.9 7.2 -25.1 -48.3 156 452 A A H X S+ 0 0 8 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.875 109.9 51.2 -63.7 -40.7 4.8 -28.1 -48.5 157 453 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.944 110.3 49.4 -61.7 -45.9 4.7 -28.3 -44.6 158 454 A I H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.944 111.1 49.8 -58.0 -48.9 3.9 -24.6 -44.5 159 455 A W H < S+ 0 0 91 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.866 115.9 42.3 -54.4 -44.6 1.1 -25.0 -47.1 160 456 A A H < S+ 0 0 51 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.799 115.4 49.0 -74.3 -30.7 -0.4 -28.0 -45.1 161 457 A L H X S+ 0 0 4 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.668 85.1 84.4 -93.0 -13.1 -0.0 -26.4 -41.7 162 458 A E H X S+ 0 0 22 -4,-1.7 4,-2.6 -5,-0.2 5,-0.2 0.934 92.2 48.1 -54.1 -51.9 -1.5 -22.9 -42.2 163 459 A R H > S+ 0 0 145 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.913 112.8 44.3 -59.0 -52.9 -5.1 -24.1 -41.7 164 460 A P H > S+ 0 0 44 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.886 115.3 49.0 -66.3 -36.1 -4.6 -26.1 -38.4 165 461 A F H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.949 112.6 47.0 -59.9 -49.4 -2.5 -23.4 -36.9 166 462 A L H X S+ 0 0 33 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.890 111.1 53.7 -61.2 -36.8 -5.0 -20.7 -37.8 167 463 A D H X S+ 0 0 63 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.934 111.0 43.9 -64.1 -45.4 -7.8 -22.8 -36.4 168 464 A E H X S+ 0 0 44 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.928 111.2 54.5 -67.6 -43.0 -6.1 -23.3 -33.0 169 465 A L H <>S+ 0 0 0 -4,-2.6 5,-3.2 1,-0.2 6,-0.6 0.938 110.2 48.3 -48.6 -46.3 -5.2 -19.6 -32.9 170 466 A R H ><5S+ 0 0 157 -4,-2.3 3,-1.9 4,-0.2 -2,-0.2 0.936 107.8 52.3 -66.2 -43.8 -8.8 -18.8 -33.4 171 467 A R H 3<5S+ 0 0 167 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.917 112.7 48.2 -56.6 -37.9 -10.0 -21.3 -30.7 172 468 A N T 3<5S- 0 0 23 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.415 114.2-118.9 -78.7 -1.1 -7.5 -19.5 -28.4 173 469 A E T < 5S+ 0 0 128 -3,-1.9 -3,-0.2 -4,-0.2 4,-0.1 0.849 85.4 114.6 53.3 41.2 -8.8 -16.0 -29.4 174 470 A Q >< + 0 0 0 -5,-3.2 4,-1.9 -6,-0.2 -4,-0.2 0.253 35.2 98.7-116.6 6.0 -5.3 -15.3 -30.7 175 471 A D H > S+ 0 0 34 -6,-0.6 4,-2.5 2,-0.2 5,-0.2 0.907 88.8 43.0 -68.5 -40.7 -6.0 -14.9 -34.5 176 472 A R H >>S+ 0 0 156 2,-0.2 4,-2.8 1,-0.2 5,-0.7 0.824 108.1 62.0 -69.4 -34.1 -6.0 -11.1 -34.4 177 473 A L H >>S+ 0 0 11 3,-0.2 5,-2.6 2,-0.2 4,-0.6 0.910 112.9 36.5 -54.0 -45.2 -2.9 -11.2 -32.1 178 474 A L H <>S+ 0 0 0 -4,-1.9 5,-2.5 3,-0.2 -2,-0.2 0.971 126.1 36.9 -65.8 -57.0 -1.1 -12.9 -35.0 179 475 A V H <5S+ 0 0 71 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.825 128.0 30.6 -75.2 -37.4 -2.7 -11.0 -37.9 180 476 A E H <5S+ 0 0 102 -4,-2.8 -1,-0.2 -5,-0.2 -3,-0.2 0.594 132.7 19.4 -99.5 -15.1 -3.0 -7.5 -36.4 181 477 A L T X S+ 0 0 44 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.888 113.6 52.1 -63.3 -31.8 2.7 -6.2 -38.8 185 481 A L H X S+ 0 0 0 -4,-1.9 4,-3.5 1,-0.2 5,-0.2 0.840 100.0 62.6 -68.7 -35.7 5.3 -5.8 -36.1 186 482 A S H X S+ 0 0 4 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.933 104.9 46.7 -57.7 -43.4 7.6 -8.2 -37.9 187 483 A S H X S+ 0 0 68 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.905 112.3 49.9 -60.6 -43.9 7.7 -5.8 -40.9 188 484 A I H X S+ 0 0 7 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.930 110.7 49.9 -64.3 -43.4 8.4 -2.8 -38.7 189 485 A L H X S+ 0 0 0 -4,-3.5 4,-2.4 1,-0.2 5,-0.2 0.913 106.9 55.6 -62.2 -37.9 11.2 -4.7 -37.0 190 486 A A H X S+ 0 0 1 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.909 108.0 48.2 -60.2 -43.8 12.6 -5.6 -40.4 191 487 A E H X S+ 0 0 73 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.894 111.2 50.7 -61.8 -41.2 12.8 -1.9 -41.3 192 488 A M H X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.896 112.5 46.1 -64.9 -42.9 14.5 -1.0 -38.0 193 489 A E H < S+ 0 0 0 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.901 113.6 48.3 -64.4 -46.8 17.1 -3.8 -38.4 194 490 A F H < S+ 0 0 75 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.911 111.3 50.6 -62.0 -41.1 17.8 -2.8 -42.0 195 491 A A H < S- 0 0 17 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.942 94.0-175.1 -66.4 -46.2 18.1 0.9 -41.1 196 492 A G < - 0 0 4 -4,-2.3 2,-0.4 -5,-0.2 111,-0.2 -0.121 27.7 -82.8 75.4 175.6 20.5 0.1 -38.4 197 493 A V E -F 306 0B 9 109,-1.9 109,-2.4 -4,-0.1 2,-0.2 -0.997 38.8-122.4-121.3 132.3 22.0 2.6 -35.9 198 494 A K E -FG 305 345B 64 147,-0.6 147,-1.9 -2,-0.4 2,-0.4 -0.482 24.9-157.1 -75.1 137.9 25.1 4.7 -36.7 199 495 A V E - G 0 344B 2 105,-2.9 2,-1.3 145,-0.2 145,-0.2 -0.957 19.3-136.9-119.0 132.1 28.2 4.4 -34.4 200 496 A D > - 0 0 63 143,-2.5 4,-2.0 -2,-0.4 3,-0.3 -0.731 28.8-179.2 -81.0 88.9 31.0 6.9 -33.9 201 497 A T H > S+ 0 0 17 -2,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.840 74.5 60.4 -67.9 -29.8 33.7 4.3 -34.1 202 498 A K H > S+ 0 0 150 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.896 106.2 46.3 -65.2 -38.2 36.4 6.8 -33.5 203 499 A R H > S+ 0 0 57 -3,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.926 111.5 51.8 -71.3 -44.7 34.9 7.8 -30.1 204 500 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.858 110.8 49.7 -53.3 -39.5 34.5 4.1 -29.1 205 501 A E H X S+ 0 0 100 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.879 109.7 47.9 -73.8 -38.1 38.2 3.5 -30.0 206 502 A Q H X S+ 0 0 94 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.899 110.2 54.1 -71.1 -37.1 39.6 6.3 -28.0 207 503 A M H X S+ 0 0 15 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.941 107.4 51.3 -52.4 -51.4 37.4 5.2 -25.1 208 504 A G H X S+ 0 0 9 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.809 105.8 55.7 -57.9 -34.2 39.0 1.8 -25.5 209 505 A E H X S+ 0 0 139 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.929 109.1 45.6 -64.7 -45.8 42.5 3.4 -25.4 210 506 A E H X S+ 0 0 108 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.926 113.7 50.0 -62.6 -44.1 41.8 5.1 -22.1 211 507 A L H X S+ 0 0 16 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.905 107.3 53.7 -62.7 -41.5 40.3 1.9 -20.7 212 508 A A H X S+ 0 0 24 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.907 110.4 47.3 -62.3 -40.9 43.3 -0.1 -21.8 213 509 A E H X S+ 0 0 132 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.897 113.8 48.1 -64.5 -42.1 45.6 2.3 -20.0 214 510 A Q H X S+ 0 0 78 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.863 109.3 52.4 -64.7 -40.5 43.4 2.1 -16.9 215 511 A L H X S+ 0 0 20 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.895 106.4 54.1 -63.6 -40.7 43.2 -1.6 -16.9 216 512 A R H X S+ 0 0 139 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.918 108.6 48.3 -63.4 -42.9 47.0 -1.9 -17.0 217 513 A T H X S+ 0 0 97 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.959 115.9 42.6 -60.9 -53.2 47.5 0.3 -14.0 218 514 A V H X S+ 0 0 11 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.887 112.3 55.2 -61.5 -39.2 44.9 -1.6 -11.9 219 515 A E H X S+ 0 0 52 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.890 108.2 47.5 -61.3 -43.0 46.1 -5.0 -13.1 220 516 A Q H X S+ 0 0 92 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.880 110.6 53.8 -63.0 -39.8 49.7 -4.2 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E -KL 539 573E 4 220,-2.3 220,-2.1 -2,-0.3 2,-0.4 -0.797 29.6-165.7 -89.4 132.7 18.1 10.9 -31.5 354 650 A F E -KL 538 572E 0 184,-2.7 184,-3.5 -2,-0.5 2,-0.4 -0.981 5.0-173.6-118.3 132.5 14.7 11.0 -29.8 355 651 A A E -KL 537 571E 4 216,-2.7 216,-2.2 -2,-0.4 2,-0.4 -0.991 4.3-176.9-130.2 133.6 13.9 8.5 -26.9 356 652 A A E -KL 536 570E 0 180,-2.5 180,-3.2 -2,-0.4 2,-0.4 -1.000 6.8-175.6-134.5 131.6 10.5 8.0 -25.2 357 653 A D E -KL 535 569E 46 212,-2.6 212,-3.0 -2,-0.4 2,-0.3 -0.979 26.6-118.7-132.3 139.0 9.9 5.7 -22.3 358 654 A Y E - L 0 568E 2 176,-2.6 2,-0.7 -2,-0.4 3,-0.3 -0.555 29.2-129.9 -67.2 138.7 6.9 4.5 -20.3 359 655 A S S S- 0 0 27 208,-2.9 208,-0.3 -2,-0.3 5,-0.1 -0.826 79.5 -26.3 -93.8 113.1 7.1 5.5 -16.7 360 656 A Q S > S+ 0 0 61 -2,-0.7 4,-1.7 1,-0.1 -1,-0.2 0.886 77.9 164.2 53.3 45.5 6.3 2.5 -14.5 361 657 A I H > S+ 0 0 3 -3,-0.3 4,-2.7 1,-0.2 5,-0.2 0.907 70.3 55.2 -61.7 -39.7 4.3 0.6 -17.1 362 658 A E H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.946 109.8 44.0 -60.0 -49.5 4.5 -2.7 -15.3 363 659 A L H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.838 112.6 53.7 -66.1 -29.5 3.1 -1.4 -12.0 364 660 A R H X S+ 0 0 4 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.912 108.8 48.4 -70.9 -41.5 0.4 0.5 -13.9 365 661 A V H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.912 110.8 52.1 -58.0 -44.8 -0.6 -2.7 -15.7 366 662 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.923 108.1 50.7 -59.3 -44.1 -0.7 -4.4 -12.3 367 663 A A H X>S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 5,-0.7 0.911 114.0 46.3 -56.8 -45.9 -2.9 -1.7 -10.9 368 664 A H H <5S+ 0 0 28 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.942 116.6 40.4 -62.7 -51.3 -5.2 -2.2 -13.8 369 665 A I H <5S+ 0 0 42 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.907 122.3 40.7 -74.8 -35.6 -5.4 -5.9 -13.8 370 666 A A H <5S- 0 0 11 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.690 93.0-143.9 -76.6 -19.7 -5.6 -6.3 -9.9 371 667 A E T <5 + 0 0 99 -4,-1.3 2,-0.5 -5,-0.3 -3,-0.2 0.908 30.9 177.5 47.3 47.2 -8.0 -3.3 -9.6 372 668 A D >< - 0 0 2 -5,-0.7 4,-2.7 -6,-0.3 -1,-0.2 -0.720 23.8-149.1 -80.4 123.0 -6.2 -2.4 -6.3 373 669 A D H > S+ 0 0 129 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.911 93.7 45.9 -64.1 -41.2 -7.8 0.9 -5.1 374 670 A N H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.940 114.6 45.7 -71.5 -46.6 -4.7 2.2 -3.4 375 671 A L H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.899 114.6 49.8 -62.3 -40.2 -2.3 1.4 -6.3 376 672 A M H X S+ 0 0 11 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.896 110.6 49.3 -64.9 -43.3 -4.9 2.9 -8.8 377 673 A E H X S+ 0 0 75 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.908 107.1 55.8 -62.6 -41.6 -5.2 6.0 -6.7 378 674 A A H <>S+ 0 0 1 -4,-2.2 5,-2.5 1,-0.2 -1,-0.2 0.920 112.1 41.8 -60.8 -44.8 -1.5 6.4 -6.5 379 675 A F H ><5S+ 0 0 3 -4,-1.8 3,-1.6 3,-0.2 -1,-0.2 0.868 109.2 57.4 -67.5 -39.1 -1.2 6.4 -10.3 380 676 A R H 3<5S+ 0 0 135 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.759 111.0 45.2 -62.5 -28.1 -4.2 8.6 -10.8 381 677 A R T 3<5S- 0 0 151 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.342 110.2-128.5 -87.8 2.4 -2.4 11.1 -8.7 382 678 A D T < 5 + 0 0 76 -3,-1.6 -3,-0.2 -5,-0.2 -2,-0.1 0.872 46.5 174.9 45.8 44.5 0.9 10.5 -10.6 383 679 A L < - 0 0 60 -5,-2.5 2,-0.8 -6,-0.2 -1,-0.1 -0.321 46.4 -95.1 -70.5 156.3 2.7 9.9 -7.2 384 680 A D > - 0 0 76 1,-0.2 4,-2.7 2,-0.0 5,-0.2 -0.681 41.9-152.0 -64.0 108.3 6.3 8.8 -6.9 385 681 A I H > S+ 0 0 5 -2,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.812 87.9 50.4 -68.4 -31.3 5.4 5.1 -6.6 386 682 A H H > S+ 0 0 15 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.932 112.2 46.8 -74.2 -40.6 8.4 4.1 -4.5 387 683 A T H > S+ 0 0 20 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.931 114.7 47.5 -62.5 -45.1 7.9 6.9 -2.0 388 684 A K H X S+ 0 0 33 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.928 110.6 51.4 -64.7 -42.8 4.3 6.1 -1.7 389 685 A T H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.938 111.3 49.4 -58.7 -45.9 5.1 2.4 -1.3 390 686 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 6,-0.4 0.918 108.3 52.1 -52.7 -50.3 7.5 3.3 1.5 391 687 A M H X>S+ 0 0 44 -4,-2.7 5,-1.2 1,-0.2 4,-0.8 0.920 114.3 43.9 -57.3 -43.7 4.9 5.5 3.3 392 688 A D H <5S+ 0 0 32 -4,-2.2 3,-0.3 3,-0.2 -2,-0.2 0.961 115.5 43.6 -69.9 -50.9 2.4 2.7 3.2 393 689 A I H <5S+ 0 0 6 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.889 125.5 34.5 -69.7 -33.5 4.6 -0.3 4.3 394 690 A F H <5S- 0 0 63 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.543 103.2-131.4 -90.5 -6.1 6.4 1.7 7.0 395 691 A Q T <5 + 0 0 156 -4,-0.8 2,-0.3 -3,-0.3 -3,-0.2 0.895 59.1 136.5 55.2 42.9 3.3 3.7 7.9 396 692 A V < - 0 0 35 -5,-1.2 -1,-0.2 -6,-0.4 2,-0.1 -0.777 57.4-107.8-112.1 161.7 5.1 7.0 7.8 397 693 A S > - 0 0 53 -2,-0.3 3,-1.6 -3,-0.1 4,-0.2 -0.448 43.3 -96.8 -74.9 163.8 4.2 10.4 6.4 398 694 A E G > S+ 0 0 131 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.846 122.1 50.8 -51.9 -47.3 6.0 11.6 3.2 399 695 A D G 3 S+ 0 0 144 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.599 104.2 60.5 -78.0 -5.7 8.6 13.8 4.9 400 696 A E G < S+ 0 0 111 -3,-1.6 2,-0.7 2,-0.1 -1,-0.3 0.360 76.2 111.1 -89.8 0.5 9.5 10.9 7.3 401 697 A V < - 0 0 28 -3,-1.6 -10,-0.1 -4,-0.2 -14,-0.0 -0.695 57.2-158.1 -77.9 116.3 10.5 8.6 4.3 402 698 A T > - 0 0 68 -2,-0.7 4,-2.3 1,-0.1 5,-0.2 -0.455 30.2-105.4 -86.7 165.8 14.3 8.3 4.5 403 699 A P H > S+ 0 0 116 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.907 122.1 51.7 -59.7 -38.4 16.5 7.3 1.5 404 700 A N H > S+ 0 0 85 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.912 107.6 51.6 -63.6 -42.5 17.0 3.8 2.9 405 701 A M H > S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.934 111.7 47.9 -59.8 -43.7 13.2 3.3 3.3 406 702 A R H X S+ 0 0 75 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.899 109.9 51.3 -64.1 -43.2 12.7 4.4 -0.3 407 703 A R H X S+ 0 0 120 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.920 112.0 47.2 -58.4 -45.3 15.5 2.1 -1.6 408 704 A Q H X S+ 0 0 29 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.909 112.1 48.2 -69.1 -41.6 14.0 -0.9 0.2 409 705 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.843 109.8 54.5 -60.4 -39.7 10.4 -0.1 -1.0 410 706 A K H X S+ 0 0 109 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.873 106.1 52.7 -59.0 -40.2 11.8 0.3 -4.6 411 707 A A H X S+ 0 0 18 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.872 107.5 50.0 -66.1 -38.4 13.3 -3.2 -4.2 412 708 A V H X S+ 0 0 5 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.940 111.5 49.8 -62.1 -43.9 10.0 -4.7 -3.2 413 709 A N H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.894 109.7 50.8 -60.1 -40.4 8.5 -3.0 -6.3 414 710 A F H X S+ 0 0 97 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.919 107.6 53.4 -61.0 -44.6 11.3 -4.4 -8.4 415 711 A G H X>S+ 0 0 9 -4,-2.4 5,-2.0 1,-0.2 4,-0.6 0.855 109.4 48.4 -61.9 -39.9 10.6 -7.9 -7.0 416 712 A I H ><5S+ 0 0 28 -4,-2.0 3,-0.6 3,-0.2 -1,-0.2 0.904 110.7 50.6 -64.6 -43.0 7.0 -7.6 -8.0 417 713 A V H 3<5S+ 0 0 10 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.883 120.3 34.3 -64.2 -39.4 7.8 -6.4 -11.5 418 714 A Y H 3<5S- 0 0 88 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.333 106.1-119.9-102.6 11.0 10.2 -9.3 -12.2 419 715 A G T <<5 + 0 0 14 -4,-0.6 -3,-0.2 -3,-0.6 -4,-0.1 0.844 50.7 168.7 60.1 36.2 8.5 -12.0 -10.2 420 716 A I < - 0 0 45 -5,-2.0 -1,-0.2 -6,-0.2 2,-0.1 -0.407 30.1-115.6 -81.2 160.6 11.4 -12.7 -7.8 421 717 A S > - 0 0 25 -2,-0.1 4,-3.1 1,-0.1 5,-0.2 -0.341 28.1-102.0 -86.1 170.3 11.0 -14.8 -4.7 422 718 A D H > S+ 0 0 53 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.840 129.5 53.1 -55.8 -36.0 11.4 -13.9 -0.9 423 719 A Y H > S+ 0 0 122 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.906 109.0 48.2 -62.8 -45.0 14.8 -15.5 -1.3 424 720 A G H > S+ 0 0 16 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.957 112.1 48.4 -60.1 -49.1 15.5 -13.2 -4.3 425 721 A L H X S+ 0 0 5 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.900 110.4 51.3 -59.3 -43.4 14.3 -10.2 -2.4 426 722 A A H X>S+ 0 0 9 -4,-2.3 5,-1.8 1,-0.2 4,-0.8 0.898 111.2 47.9 -60.9 -42.3 16.5 -11.1 0.6 427 723 A Q H <5S+ 0 0 114 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.909 112.2 50.4 -63.4 -42.2 19.5 -11.5 -1.6 428 724 A N H <5S+ 0 0 86 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.821 119.3 35.3 -64.1 -36.1 18.7 -8.2 -3.2 429 725 A L H <5S- 0 0 8 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.364 104.2-123.6-101.8 -0.2 18.3 -6.3 0.1 430 726 A N T <5S+ 0 0 116 -4,-0.8 2,-0.2 -3,-0.5 -3,-0.2 0.918 72.5 118.1 54.7 45.5 21.0 -8.2 2.0 431 727 A I < - 0 0 39 -5,-1.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.758 69.8 -78.0-128.7 175.9 18.6 -9.2 4.7 432 728 A S > - 0 0 57 -2,-0.2 4,-2.3 1,-0.1 5,-0.1 -0.354 35.3-116.3 -74.4 157.6 17.2 -12.5 6.0 433 729 A R H > S+ 0 0 128 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.892 117.1 54.6 -54.9 -42.3 14.5 -14.6 4.2 434 730 A K H > S+ 0 0 152 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.881 109.1 45.6 -62.5 -42.6 12.3 -14.0 7.3 435 731 A E H > S+ 0 0 92 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.879 110.7 54.1 -69.8 -37.1 12.6 -10.2 7.1 436 732 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.924 107.7 49.9 -63.4 -37.8 12.0 -10.3 3.4 437 733 A A H X S+ 0 0 40 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.878 107.8 55.2 -68.7 -38.1 8.8 -12.3 4.0 438 734 A E H X S+ 0 0 118 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.901 105.7 51.3 -56.3 -45.6 7.8 -9.6 6.5 439 735 A F H X S+ 0 0 28 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.945 111.1 47.9 -56.6 -47.9 8.3 -6.9 3.8 440 736 A I H X S+ 0 0 46 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.889 110.3 51.2 -63.2 -41.6 6.0 -8.8 1.4 441 737 A E H X S+ 0 0 123 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.891 109.3 51.2 -63.2 -40.3 3.4 -9.3 4.1 442 738 A R H X S+ 0 0 51 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.890 107.9 53.0 -63.0 -40.1 3.5 -5.6 4.8 443 739 A Y H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 3,-0.3 0.929 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