==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 31-JUL-06 2HW3 . COMPND 2 MOLECULE: 5'-D(*GP*CP*GP*AP*TP*CP*AP*GP*CP*TP*T)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.J.WARREN,L.J.FORSBERG,L.S.BEESE . 580 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28200.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 410 70.7 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 . 49 8.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 29 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 240 41.4 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 . 1 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 1 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 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 K 0 0 142 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -55.1 9.3 5.4 2.8 2 298 A K - 0 0 85 1,-0.1 2,-0.4 0, 0.0 147,-0.0 0.018 360.0-124.8 -44.6 140.0 10.8 8.1 0.5 3 299 A M - 0 0 32 1,-0.0 2,-0.2 146,-0.0 -1,-0.1 -0.767 20.9-122.0 -95.5 132.9 8.6 11.2 -0.1 4 300 A A + 0 0 70 -2,-0.4 2,-0.3 148,-0.0 -1,-0.0 -0.470 44.9 143.6 -74.9 141.9 7.8 12.3 -3.7 5 301 A F - 0 0 58 -2,-0.2 2,-0.6 41,-0.1 43,-0.2 -0.949 48.0-107.5-170.2 157.5 8.7 15.8 -4.9 6 302 A T E -a 48 0A 81 41,-2.5 43,-2.6 -2,-0.3 2,-1.3 -0.836 17.8-153.6 -96.2 121.7 9.9 17.7 -7.9 7 303 A L E -a 49 0A 61 -2,-0.6 43,-0.1 41,-0.2 41,-0.1 -0.764 33.1-154.8 -92.3 87.3 13.5 18.9 -7.7 8 304 A A - 0 0 11 41,-1.4 43,-0.5 -2,-1.3 3,-0.1 -0.273 30.7-162.2 -73.2 151.1 12.9 21.8 -10.1 9 305 A D S S+ 0 0 121 1,-0.2 2,-0.3 41,-0.1 -1,-0.1 0.550 82.7 18.9-100.7 -18.7 15.4 23.7 -12.3 10 306 A R S S- 0 0 168 48,-0.0 2,-0.3 45,-0.0 -1,-0.2 -0.981 87.2 -95.6-150.4 158.8 13.1 26.7 -12.7 11 307 A V - 0 0 7 -2,-0.3 2,-0.3 43,-0.1 49,-0.1 -0.587 39.5-167.6 -78.8 132.6 10.0 28.3 -11.0 12 308 A T > - 0 0 39 -2,-0.3 3,-1.3 1,-0.1 4,-0.2 -0.793 33.7-107.4-118.0 164.2 6.6 27.4 -12.5 13 309 A E G > S+ 0 0 174 -2,-0.3 3,-1.6 1,-0.2 -1,-0.1 0.808 113.6 61.2 -60.1 -34.1 3.1 28.9 -11.9 14 310 A E G > S+ 0 0 91 1,-0.3 3,-0.6 2,-0.1 31,-0.3 0.683 95.5 62.3 -70.9 -14.9 1.8 26.0 -9.8 15 311 A M G < S+ 0 0 3 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.543 97.9 61.9 -81.4 -7.8 4.5 26.7 -7.2 16 312 A L G < S+ 0 0 32 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.1 -0.138 71.5 145.7-114.1 36.9 2.9 30.1 -6.7 17 313 A A < - 0 0 12 -3,-0.6 -3,-0.0 2,-0.1 -2,-0.0 -0.269 63.0-105.4 -69.1 160.8 -0.6 29.1 -5.5 18 314 A D S S+ 0 0 99 52,-0.1 53,-2.2 1,-0.1 2,-0.3 0.348 104.7 40.5 -77.8 6.8 -2.3 31.3 -2.9 19 315 A K E S+b 71 0A 76 51,-0.2 25,-0.5 2,-0.1 2,-0.3 -0.913 73.1 143.7-152.0 127.2 -1.7 29.0 0.0 20 316 A A E -b 72 0A 0 51,-1.8 53,-2.3 -2,-0.3 2,-0.5 -0.991 48.5-117.2-159.3 157.9 1.4 27.0 0.7 21 317 A A E -bC 73 42A 0 21,-2.9 21,-2.3 -2,-0.3 2,-0.4 -0.900 42.3-163.4 -95.7 130.0 3.8 25.7 3.3 22 318 A L E - C 0 41A 1 51,-2.5 2,-0.4 -2,-0.5 53,-0.4 -0.963 17.6-170.1-125.5 137.3 7.2 27.4 2.6 23 319 A V E + C 0 40A 9 17,-2.5 17,-2.2 -2,-0.4 2,-0.5 -0.997 7.0 176.2-125.1 121.5 10.7 26.5 3.8 24 320 A V E - C 0 39A 11 -2,-0.4 2,-0.5 15,-0.2 15,-0.2 -0.926 30.7-145.0-123.3 97.3 13.5 29.0 3.2 25 321 A E E + C 0 38A 18 13,-2.3 12,-2.3 -2,-0.5 13,-0.7 -0.573 27.8 173.8 -84.2 122.0 16.4 27.2 5.0 26 322 A V - 0 0 6 -2,-0.5 10,-0.1 10,-0.2 5,-0.1 -0.972 5.2-176.7-121.2 112.0 19.1 29.0 6.9 27 323 A V + 0 0 12 -2,-0.5 -1,-0.1 8,-0.3 4,-0.1 0.907 55.8 91.5 -79.5 -43.5 21.4 26.6 8.7 28 324 A E S S- 0 0 116 7,-0.2 6,-0.1 1,-0.1 -2,-0.0 -0.276 76.8-134.7 -51.5 132.0 23.8 29.0 10.5 29 325 A E S S+ 0 0 136 1,-0.2 2,-0.9 2,-0.1 -1,-0.1 0.913 99.5 58.0 -58.3 -45.9 22.4 29.7 14.0 30 326 A N S S- 0 0 35 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.791 74.1-171.4 -87.3 104.7 23.0 33.4 13.5 31 327 A Y > + 0 0 3 -2,-0.9 3,-1.4 3,-0.1 2,-0.5 0.375 39.9 124.0 -82.8 3.5 21.0 34.2 10.4 32 328 A H T 3 S- 0 0 7 1,-0.3 51,-0.1 275,-0.2 -2,-0.1 -0.565 95.6 -14.0 -72.0 119.9 22.2 37.7 9.9 33 329 A D T 3 S+ 0 0 94 -2,-0.5 -1,-0.3 49,-0.2 -2,-0.1 0.753 107.3 147.8 59.2 30.8 23.6 38.1 6.4 34 330 A A < - 0 0 7 -3,-1.4 -1,-0.2 1,-0.1 -3,-0.1 -0.534 50.8 -92.8 -97.8 157.8 23.6 34.2 6.2 35 331 A P - 0 0 77 0, 0.0 2,-0.7 0, 0.0 -8,-0.3 -0.313 20.8-139.1 -68.9 149.0 23.2 31.9 3.3 36 332 A I - 0 0 11 -10,-0.1 -10,-0.2 1,-0.1 3,-0.1 -0.962 19.7-170.6-103.4 110.4 19.8 30.4 2.3 37 333 A V - 0 0 35 -12,-2.3 2,-0.3 -2,-0.7 -11,-0.1 0.662 57.6 -15.1 -81.0 -17.2 20.8 26.8 1.4 38 334 A G E -C 25 0A 0 -13,-0.7 -13,-2.3 13,-0.1 2,-0.4 -0.978 52.2-133.1-177.0 165.8 17.5 25.7 -0.1 39 335 A I E -CD 24 50A 1 11,-1.8 11,-2.6 -2,-0.3 2,-0.4 -0.992 14.9-174.5-136.3 136.2 13.8 26.2 -0.7 40 336 A A E -CD 23 49A 0 -17,-2.2 -17,-2.5 -2,-0.4 2,-0.4 -0.993 1.9-171.8-131.7 141.0 10.8 23.9 -0.4 41 337 A V E -CD 22 48A 0 7,-2.1 7,-2.8 -2,-0.4 2,-0.4 -0.999 3.1-176.1-132.7 132.1 7.2 24.6 -1.3 42 338 A V E +CD 21 47A 5 -21,-2.3 -21,-2.9 -2,-0.4 2,-0.2 -0.999 23.1 137.0-128.5 128.6 4.1 22.4 -0.6 43 339 A N E > S- D 0 46A 6 3,-2.2 3,-0.8 -2,-0.4 -23,-0.1 -0.772 70.0 -66.2-148.0-166.5 0.7 23.3 -1.9 44 340 A E T 3 S+ 0 0 154 -25,-0.5 3,-0.1 1,-0.2 -24,-0.1 0.743 128.4 54.8 -64.6 -21.0 -2.4 21.7 -3.5 45 341 A H T 3 S- 0 0 87 -31,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.637 118.0 -85.7 -89.2 -17.4 -0.4 21.1 -6.7 46 342 A G E < - D 0 43A 25 -3,-0.8 -3,-2.2 -32,-0.1 2,-0.4 -0.967 49.7 -52.3 149.3-163.7 2.5 19.1 -5.1 47 343 A R E - D 0 42A 91 -2,-0.3 -41,-2.5 -5,-0.2 2,-0.3 -0.957 50.3-175.3-116.6 134.6 5.8 19.2 -3.3 48 344 A F E -aD 6 41A 4 -7,-2.8 -7,-2.1 -2,-0.4 2,-0.4 -0.954 18.6-158.2-135.2 148.7 8.7 21.2 -4.8 49 345 A F E -aD 7 40A 2 -43,-2.6 -41,-1.4 -2,-0.3 2,-0.4 -0.997 16.1-174.0-125.0 130.2 12.4 21.9 -4.1 50 346 A L E - D 0 39A 1 -11,-2.6 -11,-1.8 -2,-0.4 -41,-0.1 -0.966 26.4-122.4-125.9 139.2 14.1 25.0 -5.5 51 347 A R >> - 0 0 57 -43,-0.5 4,-2.5 -2,-0.4 3,-0.9 -0.620 25.7-130.5 -75.3 134.9 17.8 26.0 -5.5 52 348 A P H 3> S+ 0 0 18 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.831 104.6 56.2 -59.1 -37.5 18.1 29.5 -3.8 53 349 A E H 34 S+ 0 0 132 1,-0.2 4,-0.1 2,-0.2 -15,-0.0 0.805 115.1 40.9 -66.1 -27.0 20.3 31.0 -6.5 54 350 A T H X4 S+ 0 0 47 -3,-0.9 3,-0.8 2,-0.1 4,-0.4 0.933 118.8 41.7 -81.9 -55.7 17.5 30.1 -9.0 55 351 A A H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 7,-0.3 0.879 113.0 51.7 -63.8 -42.7 14.4 31.0 -7.0 56 352 A L T 3< S+ 0 0 29 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.1 0.524 109.2 51.2 -77.0 -4.7 15.7 34.2 -5.5 57 353 A A T < S+ 0 0 75 -3,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.419 88.8 98.4-105.2 -6.2 16.7 35.6 -8.9 58 354 A D <> - 0 0 36 -3,-1.0 4,-2.5 -4,-0.4 3,-0.4 -0.783 63.5-154.2 -90.0 114.4 13.2 34.8 -10.4 59 355 A P H > S+ 0 0 88 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.793 94.6 53.7 -54.3 -37.1 11.0 38.0 -10.4 60 356 A Q H > S+ 0 0 121 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.868 111.9 44.4 -69.2 -36.9 7.8 35.9 -10.3 61 357 A F H > S+ 0 0 0 -3,-0.4 4,-2.7 -6,-0.2 -1,-0.2 0.908 113.4 49.5 -72.5 -43.5 9.0 34.0 -7.2 62 358 A V H X S+ 0 0 44 -4,-2.5 4,-1.8 -7,-0.3 -2,-0.2 0.885 112.1 49.5 -61.3 -39.1 10.2 37.2 -5.5 63 359 A A H X S+ 0 0 64 -4,-2.0 4,-0.6 -5,-0.2 -1,-0.2 0.894 109.7 51.1 -67.3 -39.7 6.9 38.8 -6.2 64 360 A W H >< S+ 0 0 8 -4,-1.7 3,-1.2 1,-0.2 6,-0.2 0.933 107.9 53.2 -62.0 -46.1 5.0 35.8 -4.8 65 361 A L H 3< S+ 0 0 1 -4,-2.7 27,-3.2 1,-0.3 -1,-0.2 0.868 113.7 42.7 -54.5 -41.9 7.2 36.0 -1.6 66 362 A G H 3< S+ 0 0 25 -4,-1.8 2,-0.8 25,-0.2 -1,-0.3 0.436 87.3 106.1 -88.1 -1.2 6.2 39.7 -1.2 67 363 A D X< - 0 0 56 -3,-1.2 3,-1.4 -4,-0.6 25,-0.1 -0.737 54.1-161.8 -86.0 112.3 2.5 39.3 -2.1 68 364 A E T 3 S+ 0 0 110 -2,-0.8 -1,-0.2 1,-0.3 -4,-0.0 0.697 88.9 60.9 -62.9 -22.9 0.5 39.5 1.2 69 365 A T T 3 S+ 0 0 88 1,-0.1 2,-0.9 2,-0.1 -1,-0.3 0.604 87.0 81.4 -83.1 -12.2 -2.5 37.8 -0.5 70 366 A K S < S- 0 0 56 -3,-1.4 2,-0.3 -6,-0.2 -51,-0.2 -0.859 83.2-143.9 -94.0 104.4 -0.5 34.7 -1.1 71 367 A K E -b 19 0A 74 -53,-2.2 -51,-1.8 -2,-0.9 2,-0.4 -0.523 16.8-167.4 -80.0 133.3 -0.6 32.9 2.3 72 368 A K E -be 20 94A 0 21,-2.8 23,-1.9 -2,-0.3 24,-1.3 -0.938 12.5-155.4-120.8 142.8 2.4 31.0 3.6 73 369 A S E +be 21 96A 0 -53,-2.3 -51,-2.5 -2,-0.4 2,-0.2 -0.960 32.3 158.1-113.0 129.6 2.7 28.6 6.5 74 370 A M E - e 0 97A 4 22,-2.8 24,-3.3 -2,-0.5 2,-0.4 -0.792 43.7-118.2-141.3 179.7 6.2 28.3 8.0 75 371 A F S S- 0 0 35 -53,-0.4 39,-0.1 -2,-0.2 22,-0.1 -0.982 99.3 -5.8-126.9 116.7 8.3 27.4 10.9 76 372 A D S >> S+ 0 0 31 -2,-0.4 4,-1.0 3,-0.1 3,-0.8 0.980 71.8 179.4 63.5 57.9 10.3 30.4 12.4 77 373 A S H 3> S+ 0 0 11 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.794 73.8 67.7 -59.9 -26.9 9.3 32.8 9.6 78 374 A K H 3> S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.875 96.8 52.6 -62.0 -37.7 11.4 35.5 11.4 79 375 A R H <> S+ 0 0 57 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.891 114.3 42.7 -62.4 -41.9 14.6 33.6 10.5 80 376 A A H X S+ 0 0 2 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.919 112.2 53.6 -70.8 -48.0 13.6 33.5 6.9 81 377 A A H X S+ 0 0 17 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.874 111.9 44.2 -56.2 -43.8 12.3 37.1 6.8 82 378 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -49,-0.2 0.931 111.6 51.2 -70.1 -46.0 15.6 38.5 8.2 83 379 A A H < S+ 0 0 1 -4,-1.8 4,-0.3 1,-0.2 -2,-0.2 0.864 113.9 47.2 -58.3 -35.3 17.9 36.4 5.9 84 380 A L H ><>S+ 0 0 0 -4,-2.2 5,-3.0 2,-0.2 3,-0.8 0.822 105.2 58.7 -74.0 -35.3 15.7 37.7 3.0 85 381 A K H ><5S+ 0 0 58 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.889 101.4 55.8 -59.6 -40.6 15.9 41.3 4.3 86 382 A W T 3<5S+ 0 0 54 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.699 109.2 47.8 -65.4 -18.0 19.8 41.1 4.0 87 383 A K T < 5S- 0 0 103 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.336 121.8-106.8-101.3 2.0 19.2 40.1 0.3 88 384 A G T < 5S+ 0 0 72 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.728 77.9 131.3 79.2 24.7 16.8 42.9 -0.4 89 385 A I < - 0 0 17 -5,-3.0 2,-0.5 -8,-0.1 -1,-0.2 -0.942 48.2-144.0-117.6 129.2 13.7 40.6 -0.5 90 386 A E - 0 0 130 -2,-0.5 2,-0.6 -28,-0.1 -23,-0.1 -0.778 7.9-154.1 -94.4 126.8 10.5 41.2 1.4 91 387 A L + 0 0 26 -2,-0.5 2,-0.3 -10,-0.2 -25,-0.2 -0.893 25.1 164.9-102.0 120.4 8.6 38.3 2.8 92 388 A C + 0 0 26 -27,-3.2 -25,-0.2 -2,-0.6 3,-0.1 -0.873 42.5 45.3-131.1 162.7 4.8 38.8 3.2 93 389 A G + 0 0 1 -2,-0.3 -21,-2.8 1,-0.3 2,-0.9 0.619 55.1 157.9 84.5 12.3 1.7 36.8 3.8 94 390 A V E +e 72 0A 39 -23,-0.2 -1,-0.3 1,-0.2 -21,-0.2 -0.618 6.7 167.9 -71.2 105.8 2.9 34.5 6.5 95 391 A S E + 0 0 44 -23,-1.9 2,-0.3 -2,-0.9 -22,-0.2 0.585 61.6 32.3 -97.3 -13.6 -0.4 33.5 8.1 96 392 A F E -e 73 0A 1 -24,-1.3 -22,-2.8 87,-0.1 2,-0.6 -0.960 57.0-169.5-148.1 127.3 0.8 30.6 10.3 97 393 A D E > -e 74 0A 1 -2,-0.3 4,-2.1 -24,-0.2 -22,-0.2 -0.956 7.8-162.1-120.3 111.7 4.1 30.0 12.1 98 394 A L H > S+ 0 0 0 -24,-3.3 4,-2.3 -2,-0.6 -23,-0.2 0.779 89.3 55.5 -62.7 -33.7 4.4 26.5 13.5 99 395 A L H > S+ 0 0 19 -25,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.954 112.0 42.1 -63.6 -50.5 7.2 27.5 15.9 100 396 A L H > S+ 0 0 4 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.855 114.3 52.9 -65.7 -35.4 5.1 30.2 17.6 101 397 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.922 110.9 45.5 -65.4 -45.5 2.0 27.9 17.6 102 398 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.897 111.0 55.3 -63.3 -40.5 3.9 25.1 19.3 103 399 A Y H < S+ 0 0 11 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.882 108.5 46.0 -62.2 -41.3 5.3 27.7 21.8 104 400 A L H < S+ 0 0 2 -4,-1.9 370,-0.5 1,-0.2 -1,-0.2 0.865 110.8 53.7 -71.4 -34.3 1.9 29.0 22.8 105 401 A L H < S- 0 0 2 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.890 137.3 -13.8 -66.5 -40.8 0.5 25.4 23.2 106 402 A D >< - 0 0 26 -4,-2.1 3,-1.1 -5,-0.1 5,-0.3 -0.591 54.0-174.0-166.6 99.3 3.4 24.4 25.5 107 403 A P G > S+ 0 0 9 0, 0.0 3,-0.9 0, 0.0 -3,-0.1 0.668 84.1 70.8 -67.5 -18.1 6.6 26.4 26.1 108 404 A A G 3 S+ 0 0 62 1,-0.2 -5,-0.1 208,-0.1 208,-0.1 0.678 81.2 73.4 -73.0 -17.6 8.0 23.6 28.3 109 405 A Q G < S- 0 0 114 -3,-1.1 -1,-0.2 -7,-0.2 3,-0.1 0.772 91.5-142.6 -67.8 -24.7 8.4 21.3 25.2 110 406 A G < - 0 0 49 -3,-0.9 2,-0.3 -4,-0.2 -2,-0.1 0.857 23.7-169.3 63.9 36.3 11.4 23.4 24.1 111 407 A V + 0 0 13 -5,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.427 24.2 154.6 -61.4 117.3 10.3 23.0 20.4 112 408 A D + 0 0 127 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.254 59.2 37.6-131.4 7.4 13.2 24.2 18.3 113 409 A D S > S- 0 0 15 1,-0.1 4,-1.5 -14,-0.1 3,-0.5 -0.965 85.6-105.5-149.2 164.7 12.7 22.3 15.1 114 410 A V H > S+ 0 0 2 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.871 117.1 59.3 -58.1 -38.0 9.8 21.1 12.9 115 411 A A H > S+ 0 0 16 12,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.858 103.9 49.4 -60.5 -39.2 10.3 17.5 14.1 116 412 A A H > S+ 0 0 33 -3,-0.5 4,-0.6 2,-0.2 -1,-0.2 0.874 113.9 45.6 -70.2 -37.7 9.8 18.5 17.8 117 413 A A H >< S+ 0 0 0 -4,-1.5 3,-0.8 1,-0.2 4,-0.3 0.909 112.6 51.7 -67.9 -43.6 6.5 20.4 17.0 118 414 A A H ><>S+ 0 0 0 -4,-2.9 5,-2.3 1,-0.2 3,-1.4 0.809 99.1 63.4 -62.2 -34.1 5.3 17.5 14.8 119 415 A K H ><5S+ 0 0 122 -4,-1.7 3,-1.4 1,-0.3 -1,-0.2 0.773 90.6 68.5 -64.9 -25.2 5.9 14.9 17.5 120 416 A M T <<5S+ 0 0 47 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.725 107.1 38.3 -64.4 -24.5 3.2 16.7 19.6 121 417 A K T < 5S- 0 0 69 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 -0.021 122.5-102.2-117.6 27.4 0.6 15.5 17.1 122 418 A Q T < 5S+ 0 0 156 -3,-1.4 2,-0.6 1,-0.2 -3,-0.2 0.771 77.5 137.7 59.5 31.6 2.1 12.0 16.6 123 419 A Y < + 0 0 48 -5,-2.3 -1,-0.2 -8,-0.1 -2,-0.2 -0.943 14.7 158.3-108.2 118.3 3.6 13.0 13.2 124 420 A E + 0 0 123 -2,-0.6 2,-1.0 -3,-0.1 -1,-0.1 0.218 34.4 113.2-127.9 17.1 7.1 11.6 12.8 125 421 A A S S+ 0 0 45 -7,-0.1 2,-0.3 28,-0.1 32,-0.1 -0.174 70.0 71.7 -84.2 44.1 7.7 11.5 9.1 126 422 A V S S- 0 0 12 -2,-1.0 24,-0.1 -11,-0.1 -8,-0.0 -0.967 77.3-126.0-158.7 138.1 10.4 14.2 9.4 127 423 A R - 0 0 116 -2,-0.3 -12,-0.3 23,-0.1 -13,-0.1 -0.549 31.1-103.9 -86.3 151.2 13.9 14.1 10.8 128 424 A P > - 0 0 61 0, 0.0 4,-1.0 0, 0.0 3,-0.5 -0.472 31.0-119.8 -66.6 149.4 15.3 16.5 13.5 129 425 A D H >> S+ 0 0 35 1,-0.2 4,-3.2 2,-0.2 3,-0.5 0.874 113.1 56.8 -58.3 -39.3 17.6 19.2 12.1 130 426 A E H 3> S+ 0 0 117 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.834 102.0 56.2 -63.2 -33.5 20.5 18.0 14.2 131 427 A A H 34 S+ 0 0 59 -3,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.807 116.0 36.9 -67.3 -31.8 20.2 14.5 12.7 132 428 A V H << S+ 0 0 16 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.897 129.2 29.5 -86.9 -46.4 20.6 16.0 9.2 133 429 A Y H < S- 0 0 6 -4,-3.2 7,-2.5 1,-0.2 -3,-0.2 0.684 95.6-142.8 -91.7 -19.2 23.1 18.8 9.9 134 430 A G < - 0 0 24 -4,-2.2 2,-0.4 -5,-0.4 -1,-0.2 -0.346 25.5 -80.3 83.2-171.7 25.1 17.4 12.8 135 431 A K > - 0 0 140 -2,-0.1 3,-1.3 -4,-0.1 2,-0.4 -0.995 69.9 -28.3-141.4 139.4 26.4 19.5 15.7 136 432 A G G > S+ 0 0 64 -2,-0.4 3,-0.9 1,-0.3 0, 0.0 -0.500 126.6 4.2 73.1-121.7 29.3 21.9 16.4 137 433 A A G 3 S+ 0 0 113 -2,-0.4 -1,-0.3 1,-0.2 -3,-0.0 0.736 136.3 51.9 -70.6 -23.8 32.6 21.2 14.5 138 434 A K G < S+ 0 0 182 -3,-1.3 -1,-0.2 2,-0.0 2,-0.2 0.424 80.5 124.8 -91.5 -0.8 30.8 18.4 12.5 139 435 A R < + 0 0 89 -3,-0.9 2,-0.3 -5,-0.1 -5,-0.2 -0.441 33.9 147.1 -65.8 125.0 27.9 20.7 11.5 140 436 A A - 0 0 60 -7,-2.5 -2,-0.0 -2,-0.2 -3,-0.0 -0.989 52.3-107.1-159.7 151.5 27.6 20.8 7.8 141 437 A V - 0 0 66 -2,-0.3 3,-0.1 1,-0.1 -8,-0.1 -0.682 44.1-132.9 -79.5 127.9 25.0 21.1 5.0 142 438 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 -9,-0.0 -0.224 33.9 -72.2 -78.0 174.6 24.6 17.7 3.3 143 439 A D >> - 0 0 130 1,-0.1 4,-2.4 4,-0.1 3,-0.9 -0.196 56.3 -94.3 -63.4 157.0 24.6 16.9 -0.4 144 440 A E H 3> S+ 0 0 69 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.766 119.8 53.2 -46.2 -43.3 21.5 18.0 -2.5 145 441 A P H 3> S+ 0 0 92 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.900 115.8 40.5 -65.1 -35.7 19.5 14.8 -2.4 146 442 A V H <> S+ 0 0 65 -3,-0.9 4,-1.7 2,-0.2 -2,-0.2 0.915 117.8 48.1 -73.8 -43.8 19.6 14.6 1.4 147 443 A L H X S+ 0 0 11 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.935 111.3 50.5 -60.3 -49.9 19.1 18.3 1.8 148 444 A A H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.859 109.3 48.8 -59.8 -43.4 16.1 18.4 -0.6 149 445 A E H X S+ 0 0 63 -4,-1.4 4,-2.4 -5,-0.2 -1,-0.2 0.891 110.8 52.1 -66.6 -38.6 14.2 15.6 1.0 150 446 A H H X S+ 0 0 5 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.940 110.8 46.4 -62.0 -47.0 14.6 17.1 4.4 151 447 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.878 113.4 48.7 -65.2 -38.8 13.3 20.5 3.3 152 448 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.891 110.6 51.2 -67.0 -41.0 10.3 18.9 1.5 153 449 A R H X S+ 0 0 35 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.877 109.8 50.3 -63.6 -38.4 9.5 16.7 4.6 154 450 A K H X S+ 0 0 10 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.929 112.8 45.7 -64.5 -45.3 9.6 19.8 6.8 155 451 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.851 111.3 53.7 -65.8 -36.9 7.2 21.7 4.4 156 452 A A H X S+ 0 0 7 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.913 108.8 48.3 -63.8 -43.6 5.0 18.6 4.2 157 453 A A H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.936 111.8 49.6 -62.3 -45.8 4.7 18.4 8.0 158 454 A I H X S+ 0 0 1 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.930 110.4 50.8 -57.1 -47.7 3.9 22.2 8.2 159 455 A W H < S+ 0 0 86 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.899 117.5 40.0 -55.9 -43.1 1.2 21.7 5.5 160 456 A E H < S+ 0 0 91 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.825 115.1 49.9 -76.7 -35.4 -0.3 18.8 7.5 161 457 A L H X S+ 0 0 4 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.588 85.1 84.6 -86.7 -12.0 0.0 20.2 11.0 162 458 A E H X S+ 0 0 27 -4,-1.4 4,-2.7 -5,-0.2 5,-0.2 0.919 91.2 48.1 -56.3 -51.2 -1.5 23.7 10.5 163 459 A R H > S+ 0 0 150 -4,-0.4 4,-2.3 -3,-0.3 -1,-0.2 0.933 113.7 44.1 -58.3 -55.9 -5.1 22.5 11.0 164 460 A P H > S+ 0 0 23 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.848 115.4 49.4 -61.2 -34.4 -4.6 20.5 14.2 165 461 A F H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.954 112.5 46.6 -67.9 -46.9 -2.4 23.2 15.8 166 462 A L H X S+ 0 0 53 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.865 110.4 54.8 -60.6 -37.0 -4.9 25.9 15.0 167 463 A D H X S+ 0 0 93 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.872 110.1 44.5 -65.4 -38.5 -7.8 23.7 16.3 168 464 A E H X S+ 0 0 35 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.893 111.8 52.4 -74.6 -39.0 -6.1 23.2 19.7 169 465 A L H <>S+ 0 0 0 -4,-2.3 5,-3.4 1,-0.2 6,-0.6 0.919 109.9 50.3 -59.2 -43.3 -5.1 26.9 20.0 170 466 A R H ><5S+ 0 0 143 -4,-2.3 3,-1.3 4,-0.2 -1,-0.2 0.901 109.5 49.9 -59.9 -43.8 -8.8 27.7 19.3 171 467 A R H 3<5S+ 0 0 189 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.858 111.6 48.9 -63.7 -37.9 -9.9 25.3 22.0 172 468 A N T 3<5S- 0 0 13 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.398 116.1-117.1 -79.3 0.7 -7.4 26.9 24.4 173 469 A E T < 5S+ 0 0 121 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.864 86.0 116.5 59.0 40.5 -8.7 30.4 23.5 174 470 A Q >< + 0 0 0 -5,-3.4 4,-1.7 -6,-0.1 -4,-0.2 0.230 33.3 100.7-118.6 7.2 -5.3 31.2 22.1 175 471 A D H > S+ 0 0 41 -6,-0.6 4,-2.3 1,-0.2 5,-0.2 0.905 88.3 43.9 -61.8 -41.7 -6.2 31.7 18.4 176 472 A R H >>S+ 0 0 163 2,-0.2 4,-2.9 1,-0.2 5,-0.7 0.823 107.0 61.5 -72.3 -31.4 -6.1 35.5 18.7 177 473 A L H >>S+ 0 0 8 3,-0.2 5,-2.5 2,-0.2 4,-0.7 0.902 112.2 38.2 -61.6 -40.0 -2.9 35.3 20.8 178 474 A L H <>S+ 0 0 0 -4,-1.7 5,-2.4 3,-0.2 -2,-0.2 0.965 125.2 35.7 -71.5 -54.7 -1.2 33.7 17.8 179 475 A V H <5S+ 0 0 75 -4,-2.3 -3,-0.2 1,-0.2 -2,-0.2 0.833 128.2 31.2 -73.4 -36.5 -2.8 35.7 15.0 180 476 A E H <5S+ 0 0 107 -4,-2.9 -3,-0.2 -5,-0.2 -1,-0.2 0.640 132.3 19.7-101.6 -16.4 -3.1 39.1 16.6 181 477 A L T X S+ 0 0 45 0, 0.0 4,-1.2 0, 0.0 3,-0.3 0.898 113.1 54.3 -60.2 -35.3 2.6 40.4 14.0 185 481 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.854 99.2 62.1 -63.0 -37.2 5.2 40.8 16.7 186 482 A S H X S+ 0 0 4 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.902 103.4 49.3 -54.0 -45.1 7.5 38.5 14.9 187 483 A S H X S+ 0 0 72 -4,-1.2 4,-1.5 -3,-0.3 -1,-0.2 0.835 110.4 50.1 -63.6 -36.5 7.6 40.9 11.9 188 484 A I H X S+ 0 0 13 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.929 109.8 50.1 -69.4 -45.2 8.4 43.8 14.2 189 485 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.842 107.1 56.3 -60.5 -35.9 11.3 41.9 15.8 190 486 A A H X S+ 0 0 2 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.883 107.7 47.3 -63.2 -42.6 12.6 41.1 12.3 191 487 A E H X S+ 0 0 100 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.928 113.0 49.7 -63.6 -44.8 12.7 44.8 11.5 192 488 A M H X S+ 0 0 5 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.885 112.3 45.8 -60.3 -46.8 14.5 45.6 14.8 193 489 A E H < S+ 0 0 1 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.887 114.6 48.2 -65.5 -43.1 17.1 42.9 14.4 194 490 A F H < S+ 0 0 74 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.916 109.1 53.5 -65.4 -43.6 17.8 43.9 10.8 195 491 A A H < S- 0 0 24 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.921 93.8-172.8 -56.5 -48.1 18.1 47.6 11.7 196 492 A G < - 0 0 3 -4,-2.1 2,-0.4 333,-0.2 111,-0.2 -0.038 26.5 -85.0 77.1 174.1 20.7 46.9 14.4 197 493 A V E -F 306 0B 8 109,-2.0 109,-2.1 -4,-0.1 2,-0.1 -0.995 37.8-124.0-124.6 126.9 22.2 49.2 16.9 198 494 A K E -FG 305 345B 62 147,-0.6 147,-1.6 -2,-0.4 2,-0.4 -0.449 26.3-154.2 -69.6 137.5 25.2 51.4 16.0 199 495 A V E - G 0 344B 1 105,-3.1 2,-1.4 145,-0.2 145,-0.2 -0.947 17.3-136.6-119.5 136.5 28.2 51.0 18.2 200 496 A D > + 0 0 60 143,-3.3 4,-1.8 -2,-0.4 3,-0.5 -0.714 27.8 179.8 -88.7 86.1 31.0 53.5 18.9 201 497 A T H > S+ 0 0 19 -2,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.825 75.2 57.4 -60.2 -35.5 33.9 51.0 18.7 202 498 A K H > S+ 0 0 154 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.856 105.7 50.7 -66.4 -35.2 36.6 53.6 19.4 203 499 A R H > S+ 0 0 105 -3,-0.5 4,-2.2 2,-0.2 3,-0.2 0.949 112.4 47.7 -63.0 -50.0 34.9 54.5 22.7 204 500 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.888 110.7 50.6 -56.8 -45.7 34.9 50.8 23.6 205 501 A E H X S+ 0 0 93 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.806 111.4 48.6 -64.1 -31.9 38.5 50.3 22.6 206 502 A Q H X S+ 0 0 98 -4,-1.5 4,-1.6 -3,-0.2 -1,-0.2 0.850 110.6 49.4 -77.7 -36.4 39.6 53.2 24.7 207 503 A M H X S+ 0 0 25 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.878 109.2 54.9 -65.6 -37.6 37.6 51.9 27.7 208 504 A G H X S+ 0 0 10 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.831 106.6 49.9 -63.7 -35.7 39.3 48.6 27.1 209 505 A K H X S+ 0 0 148 -4,-1.2 4,-1.1 2,-0.2 -1,-0.2 0.839 111.3 48.1 -71.9 -36.3 42.7 50.2 27.3 210 506 A E H X S+ 0 0 98 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.885 112.3 49.4 -70.2 -40.6 41.9 52.0 30.6 211 507 A L H X S+ 0 0 18 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.872 107.3 54.6 -64.3 -40.4 40.5 48.7 32.1 212 508 A A H X S+ 0 0 54 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.815 109.5 48.2 -63.9 -32.4 43.6 46.8 31.0 213 509 A E H X S+ 0 0 144 -4,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.910 114.8 44.7 -72.6 -44.1 45.7 49.4 32.9 214 510 A Q H X S+ 0 0 78 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.829 110.9 53.7 -69.8 -35.2 43.5 49.1 36.0 215 511 A L H X S+ 0 0 25 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.890 107.5 51.9 -65.1 -40.7 43.4 45.3 35.8 216 512 A G H X S+ 0 0 26 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.898 110.9 46.9 -61.9 -44.8 47.2 45.1 35.8 217 513 A T H X S+ 0 0 98 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.951 117.7 41.1 -61.7 -54.2 47.5 47.4 38.9 218 514 A V H X S+ 0 0 12 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.875 112.8 55.9 -62.7 -40.4 44.9 45.5 40.9 219 515 A E H X S+ 0 0 59 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.913 110.0 44.7 -59.7 -45.5 46.2 42.1 39.6 220 516 A Q H X S+ 0 0 104 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.806 110.2 55.3 -69.9 -30.6 49.7 42.9 40.9 221 517 A R H X S+ 0 0 80 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.875 105.3 53.7 -67.8 -38.3 48.3 44.2 44.2 222 518 A I H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 6,-0.2 0.877 109.1 47.4 -63.5 -39.1 46.5 40.8 44.6 223 519 A Y H X>S+ 0 0 28 -4,-1.5 4,-1.0 2,-0.2 5,-0.8 0.772 111.1 52.6 -74.0 -25.4 49.8 38.9 44.1 224 520 A E H <5S+ 0 0 132 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.893 110.6 46.0 -74.3 -42.8 51.5 41.3 46.6 225 521 A L H <5S+ 0 0 31 -4,-2.3 -2,-0.2 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114.1 45.6 -69.6 -49.1 30.4 35.6 50.3 265 561 A L H 3X S+ 0 0 0 -4,-2.8 4,-0.6 1,-0.2 3,-0.3 0.794 103.6 64.9 -63.8 -29.9 33.4 37.8 49.6 266 562 A E H >< S+ 0 0 128 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.880 104.2 46.3 -60.5 -39.0 31.5 40.8 50.8 267 563 A K H << S+ 0 0 91 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.697 109.3 54.6 -75.6 -22.5 31.3 39.3 54.3 268 564 A L H >X S+ 0 0 0 -4,-0.8 3,-1.2 -3,-0.3 4,-0.9 0.481 79.6 98.0 -91.5 -5.6 35.0 38.3 54.3 269 565 A A G X< S+ 0 0 35 -4,-0.6 3,-0.6 -3,-0.5 7,-0.2 0.878 74.8 56.7 -51.5 -50.0 36.3 41.9 53.5 270 566 A P G 34 S+ 0 0 117 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.724 101.7 60.5 -59.1 -20.4 37.1 43.0 57.1 271 567 A Y G <4 S+ 0 0 149 -3,-1.2 2,-0.3 1,-0.2 -2,-0.2 0.873 116.2 7.8 -76.1 -40.1 39.5 40.0 57.6 272 568 A H X< - 0 0 54 -4,-0.9 3,-1.1 -3,-0.6 4,-0.4 -0.999 58.8-132.8-148.3 144.4 42.0 40.7 54.8 273 569 A E T >> S+ 0 0 90 -2,-0.3 4,-1.0 1,-0.2 3,-0.6 0.729 100.1 74.1 -65.9 -24.3 42.7 43.5 52.4 274 570 A I H 3> S+ 0 0 0 1,-0.2 4,-1.8 -49,-0.2 -1,-0.2 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33.1 339 635 A K G >< S+ 0 0 77 -4,-1.5 3,-1.1 1,-0.3 -1,-0.3 0.568 77.4 77.8 -60.5 -12.2 29.4 53.9 31.0 340 636 A I G X S+ 0 0 4 -3,-2.0 3,-1.8 1,-0.2 -1,-0.3 0.826 83.7 65.9 -64.2 -32.2 29.3 50.9 28.5 341 637 A R G X S+ 0 0 22 -3,-2.1 236,-1.2 -4,-0.3 3,-1.1 0.610 82.2 73.9 -68.4 -13.5 26.0 52.4 27.3 342 638 A Q G < S+ 0 0 29 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.682 88.4 63.9 -69.5 -18.3 27.9 55.5 26.0 343 639 A A G < S+ 0 0 0 -3,-1.8 -143,-3.3 -4,-0.2 2,-0.8 0.581 83.7 84.1 -82.3 -12.2 29.1 53.1 23.2 344 640 A F E < +G 199 0B 2 -3,-1.1 232,-2.4 -145,-0.2 233,-0.3 -0.851 64.1 165.7 -96.9 108.3 25.5 52.6 21.9 345 641 A V E -G 198 0B 27 -147,-1.6 -147,-0.6 -2,-0.8 230,-0.2 -0.672 41.0 -81.9-120.5 166.6 24.8 55.5 19.6 346 642 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 -0.339 34.2-129.6 -67.0 156.6 22.2 56.5 17.0 347 643 A S S S+ 0 0 30 -151,-0.1 2,-0.3 5,-0.1 -148,-0.1 0.572 85.2 46.9 -85.6 -11.7 22.7 55.1 13.5 348 644 A E S > S- 0 0 105 192,-0.1 3,-1.2 -150,-0.1 2,-0.1 -0.925 93.1 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568E 1 176,-2.9 2,-0.7 -2,-0.4 3,-0.3 -0.528 31.0-130.6 -69.1 137.1 6.9 51.0 32.4 359 655 A S S S- 0 0 25 208,-3.3 208,-0.4 1,-0.2 5,-0.1 -0.849 79.0 -24.9 -94.4 115.0 7.0 52.0 36.1 360 656 A Q S > S+ 0 0 61 -2,-0.7 4,-2.0 1,-0.1 -1,-0.2 0.850 78.1 162.7 51.6 44.6 6.2 49.0 38.4 361 657 A I H > S+ 0 0 3 -3,-0.3 4,-2.3 1,-0.2 5,-0.2 0.885 70.9 53.4 -60.2 -36.7 4.2 47.1 35.7 362 658 A E H > S+ 0 0 37 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.933 111.1 43.9 -65.1 -46.7 4.5 43.8 37.6 363 659 A L H > S+ 0 0 5 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.832 114.3 51.5 -67.6 -31.4 3.1 45.2 40.9 364 660 A R H X S+ 0 0 5 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.853 108.4 50.6 -71.2 -39.5 0.3 47.0 39.0 365 661 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.895 110.1 51.5 -62.4 -40.9 -0.6 43.8 37.2 366 662 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.889 106.8 52.5 -63.2 -41.0 -0.8 42.1 40.6 367 663 A A H X>S+ 0 0 0 -4,-1.8 4,-1.1 1,-0.2 5,-0.8 0.910 113.4 45.8 -60.5 -42.9 -3.1 44.9 41.9 368 664 A H H <5S+ 0 0 24 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.915 117.0 40.6 -64.9 -50.3 -5.4 44.3 38.9 369 665 A I H <5S+ 0 0 43 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.853 121.6 40.9 -72.6 -35.6 -5.5 40.5 39.0 370 666 A A H <5S- 0 0 5 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.688 95.1-142.8 -82.7 -21.3 -5.8 40.1 42.8 371 667 A E T <5 + 0 0 97 -4,-1.1 2,-0.6 -5,-0.3 -3,-0.2 0.887 31.0 178.6 56.0 42.6 -8.2 43.1 43.1 372 668 A D >< - 0 0 2 -5,-0.8 4,-2.7 -6,-0.3 5,-0.2 -0.674 23.8-151.4 -79.5 117.6 -6.5 44.1 46.3 373 669 A D H > S+ 0 0 131 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.885 93.6 46.5 -55.2 -45.4 -8.1 47.3 47.5 374 670 A N H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 116.0 43.9 -66.0 -45.7 -5.0 48.6 49.3 375 671 A L H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.860 114.1 50.6 -69.7 -36.6 -2.6 47.9 46.4 376 672 A M H X S+ 0 0 11 -4,-2.7 4,-2.0 -9,-0.2 -2,-0.2 0.934 111.5 48.1 -66.7 -43.0 -5.1 49.3 43.9 377 673 A E H X S+ 0 0 77 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.866 106.8 57.9 -62.8 -39.5 -5.5 52.5 46.0 378 674 A A H <>S+ 0 0 1 -4,-2.0 5,-2.2 1,-0.2 3,-0.3 0.955 111.3 40.7 -55.9 -51.7 -1.8 52.8 46.3 379 675 A F H ><5S+ 0 0 3 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.797 109.1 58.7 -70.6 -30.1 -1.3 52.9 42.5 380 676 A R H 3<5S+ 0 0 136 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.800 110.8 43.8 -67.1 -29.5 -4.4 55.1 42.0 381 677 A R T 3<5S- 0 0 158 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.441 111.6-129.3 -88.6 -2.5 -2.6 57.7 44.2 382 678 A D T < 5 + 0 0 77 -3,-0.7 -3,-0.2 -4,-0.2 -2,-0.1 0.899 45.1 176.3 51.6 46.9 0.7 56.9 42.3 383 679 A L < - 0 0 58 -5,-2.2 2,-1.0 -6,-0.1 -1,-0.1 -0.334 46.1 -95.0 -76.2 160.0 2.4 56.3 45.6 384 680 A D > - 0 0 78 1,-0.2 4,-2.6 -2,-0.1 3,-0.2 -0.713 42.5-153.3 -73.1 107.4 6.0 55.2 46.0 385 681 A I H > S+ 0 0 5 -2,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.787 87.8 50.8 -60.6 -31.6 5.1 51.5 46.3 386 682 A H H > S+ 0 0 6 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.895 112.4 45.8 -74.9 -38.6 8.1 50.5 48.3 387 683 A T H > S+ 0 0 23 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.919 113.5 51.4 -65.5 -44.3 7.6 53.3 50.9 388 684 A K H X S+ 0 0 30 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.923 108.9 49.3 -58.3 -47.6 4.0 52.4 51.0 389 685 A T H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.887 111.3 50.6 -59.5 -42.4 4.7 48.7 51.7 390 686 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 6,-0.2 0.912 108.1 51.9 -61.7 -47.2 7.2 49.7 54.5 391 687 A M H X>S+ 0 0 49 -4,-2.5 5,-1.6 2,-0.2 4,-0.6 0.926 116.1 42.2 -54.3 -48.0 4.6 52.0 56.1 392 688 A D H ><5S+ 0 0 37 -4,-2.2 3,-0.5 3,-0.2 -2,-0.2 0.960 119.5 38.7 -65.2 -57.3 2.1 49.1 56.1 393 689 A I H 3<5S+ 0 0 5 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.832 124.4 39.1 -69.9 -31.7 4.3 46.1 57.1 394 690 A F H 3<5S- 0 0 54 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.428 105.4-128.4 -97.0 1.0 6.3 48.1 59.7 395 691 A Q T <<5 + 0 0 131 -4,-0.6 2,-0.3 -3,-0.5 -3,-0.2 0.893 62.1 123.5 54.9 52.2 3.3 50.1 61.0 396 692 A V < - 0 0 39 -5,-1.6 -1,-0.2 -6,-0.2 2,-0.1 -0.843 61.4-102.0-132.6 169.4 4.7 53.6 60.7 397 693 A S > - 0 0 54 -2,-0.3 3,-0.7 1,-0.1 4,-0.3 -0.360 43.6 -97.9 -84.2 171.9 3.9 56.9 59.0 398 694 A E G > S+ 0 0 134 1,-0.2 3,-1.3 2,-0.2 -1,-0.1 0.878 124.0 54.0 -58.7 -42.0 5.6 58.1 55.9 399 695 A D G 3 S+ 0 0 156 1,-0.2 -1,-0.2 3,-0.0 -3,-0.0 0.768 104.0 57.4 -61.3 -30.3 8.0 60.4 57.9 400 696 A E G < S+ 0 0 113 -3,-0.7 2,-0.7 2,-0.1 -1,-0.2 0.447 77.6 110.8 -84.2 -2.1 9.0 57.4 60.0 401 697 A V < - 0 0 27 -3,-1.3 -10,-0.0 -4,-0.3 -14,-0.0 -0.656 54.2-160.4 -79.1 114.7 10.2 55.3 57.0 402 698 A T > - 0 0 67 -2,-0.7 4,-2.1 1,-0.1 5,-0.2 -0.434 31.5-105.7 -87.9 162.8 14.0 55.0 57.1 403 699 A P H > S+ 0 0 115 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.861 121.4 50.8 -56.1 -34.8 16.2 54.0 54.2 404 700 A N H > S+ 0 0 81 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.858 108.3 52.0 -71.6 -36.5 16.8 50.5 55.6 405 701 A M H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.895 110.7 47.8 -64.0 -42.3 13.0 50.0 56.0 406 702 A R H X S+ 0 0 77 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.904 109.8 52.9 -66.8 -40.3 12.4 51.0 52.4 407 703 A R H X S+ 0 0 122 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.895 112.8 44.1 -62.0 -40.6 15.2 48.7 51.1 408 704 A Q H X S+ 0 0 28 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.860 112.3 50.6 -74.7 -35.8 13.7 45.7 53.0 409 705 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.837 107.7 55.8 -67.5 -32.6 10.1 46.5 52.0 410 706 A K H X S+ 0 0 88 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.910 106.9 49.3 -63.2 -42.6 11.4 46.7 48.4 411 707 A A H X S+ 0 0 14 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.850 108.0 53.0 -64.9 -38.2 12.8 43.1 48.8 412 708 A V H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.931 108.3 51.9 -62.6 -43.4 9.5 41.9 50.1 413 709 A N H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.851 110.6 46.9 -60.8 -39.5 7.8 43.4 47.0 414 710 A F H X S+ 0 0 89 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.897 112.7 50.5 -67.9 -40.9 10.2 41.6 44.7 415 711 A G H X S+ 0 0 13 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.890 107.5 52.7 -63.0 -42.8 9.7 38.3 46.6 416 712 A I H >< S+ 0 0 0 -4,-2.6 3,-0.7 1,-0.2 4,-0.4 0.900 112.2 45.8 -59.8 -42.8 5.9 38.6 46.4 417 713 A V H 3< S+ 0 0 13 -4,-1.6 84,-0.2 1,-0.2 -2,-0.2 0.860 112.8 50.0 -69.7 -36.4 6.2 39.0 42.6 418 714 A Y H 3< S- 0 0 136 -4,-2.2 79,-0.3 -5,-0.1 -1,-0.2 0.477 133.2 -83.5 -80.5 -2.2 8.6 36.1 42.3 419 715 A G << - 0 0 5 -3,-0.7 -2,-0.2 -4,-0.5 -3,-0.2 0.612 55.8-101.8 94.1 105.4 6.4 33.8 44.4 420 716 A I + 0 0 25 -4,-0.4 2,-0.3 73,-0.1 -4,-0.1 -0.339 47.4 162.8 -69.5 134.0 7.0 34.3 48.1 421 717 A S > - 0 0 29 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.962 36.8-138.5-148.1 132.8 9.1 31.9 50.1 422 718 A D H > S+ 0 0 56 -2,-0.3 4,-1.9 1,-0.2 14,-0.1 0.853 103.6 52.4 -59.7 -37.9 10.7 32.6 53.6 423 719 A Y H > S+ 0 0 160 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.871 110.6 46.4 -67.3 -39.8 14.0 30.9 52.7 424 720 A G H > S+ 0 0 33 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.901 113.7 46.4 -70.6 -43.3 14.5 32.9 49.5 425 721 A L H X S+ 0 0 8 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.908 111.7 53.9 -63.4 -44.0 13.7 36.3 51.0 426 722 A A H X>S+ 0 0 5 -4,-1.9 5,-2.5 -5,-0.2 4,-0.7 0.897 108.8 47.5 -56.4 -47.2 15.9 35.4 54.0 427 723 A Q H <5S+ 0 0 91 -4,-1.8 3,-0.3 3,-0.2 -1,-0.2 0.882 114.0 49.0 -62.4 -40.7 18.9 34.7 51.8 428 724 A N H <5S+ 0 0 118 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.876 118.0 37.4 -68.2 -42.0 18.3 37.9 49.9 429 725 A L H <5S- 0 0 11 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.401 107.6-122.2 -91.1 1.5 18.0 40.1 53.0 430 726 A N T <5S+ 0 0 111 -4,-0.7 2,-0.2 -3,-0.3 -3,-0.2 0.921 74.1 118.6 54.7 46.9 20.8 38.2 54.8 431 727 A I < - 0 0 42 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.740 69.8 -77.9-128.3 177.0 18.3 37.4 57.6 432 728 A S > - 0 0 55 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.386 34.5-117.8 -79.5 161.0 16.9 34.2 59.2 433 729 A R H > S+ 0 0 127 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.840 115.9 53.2 -63.9 -35.1 14.1 32.2 57.6 434 730 A K H > S+ 0 0 134 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.890 109.7 47.0 -68.7 -41.9 11.9 32.9 60.6 435 731 A E H > S+ 0 0 89 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.872 111.3 51.5 -66.3 -40.4 12.3 36.7 60.4 436 732 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.872 107.0 53.9 -64.8 -37.3 11.6 36.6 56.6 437 733 A A H X S+ 0 0 28 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.796 103.1 58.0 -65.9 -30.7 8.4 34.6 57.4 438 734 A E H X S+ 0 0 112 -4,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.859 105.3 49.3 -68.1 -35.7 7.5 37.4 59.8 439 735 A F H X S+ 0 0 36 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.901 110.8 49.7 -68.0 -42.4 7.7 40.0 56.9 440 736 A I H X S+ 0 0 20 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.905 109.9 50.6 -61.4 -46.1 5.5 37.8 54.6 441 737 A E H X S+ 0 0 118 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.911 111.5 48.7 -59.1 -45.0 2.9 37.4 57.3 442 738 A R H X S+ 0 0 105 -4,-1.9 4,-1.5 1,-0.2 3,-0.3 0.891 109.1 54.1 -62.5 -40.7 2.9 41.2 57.8 443 739 A Y H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 3,-0.4 0.940 107.3 48.9 -58.0 -51.9 2.5 41.7 54.1 444 740 A F H < S+ 0 0 30 -4,-2.3 7,-0.2 1,-0.2 -1,-0.2 0.700 107.3 55.6 -65.1 -22.8 -0.5 39.5 53.7 445 741 A E H < S+ 0 0 111 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.857 114.4 40.2 -75.1 -35.1 -2.3 41.2 56.6 446 742 A S H < S+ 0 0 27 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.1 0.744 127.0 35.4 -81.6 -28.2 -1.8 44.6 54.8 447 743 A F X + 0 0 0 -4,-2.2 4,-1.6 -5,-0.2 3,-0.4 -0.589 65.9 161.2-127.7 71.5 -2.6 43.1 51.4 448 744 A P H > S+ 0 0 76 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.732 75.0 58.8 -64.5 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