==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 22-OCT-08 3EYZ . COMPND 2 MOLECULE: DNA POLYMERASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS STEAROTHERMOPHILUS; . AUTHOR J.J.WARREN,E.Y.WU,A.A.GOLOSOV,M.KARPLUS,L.S.BEESE . 580 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27985.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 414 71.4 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 . 50 8.6 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 . 30 5.2 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 . 238 41.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 3.4 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 2 1 4 1 3 3 1 0 0 1 2 1 0 1 1 0 0 0 0 0 0 1 0 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 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 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 A 0 0 141 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -13.4 9.5 5.6 3.0 2 298 A K - 0 0 180 1,-0.1 2,-0.5 0, 0.0 147,-0.0 -0.082 360.0-121.1 -54.4 152.2 10.9 8.4 0.9 3 299 A M - 0 0 30 146,-0.0 2,-0.2 1,-0.0 -1,-0.1 -0.860 22.3-124.0-103.2 130.7 8.7 11.5 0.2 4 300 A A + 0 0 74 -2,-0.5 2,-0.3 148,-0.0 43,-0.1 -0.507 44.0 148.6 -74.4 134.4 7.9 12.5 -3.3 5 301 A F - 0 0 58 -2,-0.2 2,-0.6 41,-0.1 43,-0.2 -0.987 46.6-107.4-161.6 157.9 8.8 16.0 -4.4 6 302 A T E -a 48 0A 75 41,-2.9 43,-2.5 -2,-0.3 2,-1.6 -0.815 17.6-153.4 -95.0 118.8 9.9 18.0 -7.4 7 303 A L E -a 49 0A 63 -2,-0.6 43,-0.1 41,-0.2 41,-0.1 -0.700 31.3-154.0 -89.6 83.6 13.5 19.1 -7.4 8 304 A A - 0 0 8 -2,-1.6 43,-0.5 41,-1.0 3,-0.1 -0.312 28.2-169.1 -66.7 140.1 12.7 22.2 -9.6 9 305 A D S S+ 0 0 123 1,-0.2 2,-0.3 41,-0.1 -1,-0.1 0.657 80.7 26.2 -97.2 -23.3 15.3 23.8 -11.8 10 306 A R S S- 0 0 165 40,-0.0 2,-0.4 44,-0.0 -1,-0.2 -0.951 88.6-102.9-138.8 156.1 13.1 26.8 -12.5 11 307 A V - 0 0 7 -2,-0.3 2,-0.2 43,-0.1 49,-0.1 -0.655 41.7-169.0 -81.9 133.0 10.2 28.5 -10.7 12 308 A T > - 0 0 38 -2,-0.4 3,-1.1 1,-0.1 4,-0.2 -0.734 34.3-104.1-119.9 170.5 6.7 27.7 -12.1 13 309 A E G > S+ 0 0 139 1,-0.2 3,-1.8 -2,-0.2 -1,-0.1 0.842 115.1 57.4 -59.9 -41.3 3.2 29.1 -11.6 14 310 A E G > S+ 0 0 86 1,-0.3 3,-0.7 2,-0.1 31,-0.4 0.651 96.5 65.2 -68.6 -13.5 1.9 26.2 -9.4 15 311 A M G < S+ 0 0 4 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.556 96.1 61.7 -81.9 -7.8 4.7 27.0 -7.0 16 312 A L G < + 0 0 16 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.1 -0.129 69.7 150.3-112.3 38.0 3.0 30.3 -6.4 17 313 A A < - 0 0 14 -3,-0.7 -3,-0.0 2,-0.1 3,-0.0 -0.201 58.9-112.7 -62.5 161.8 -0.4 29.3 -5.0 18 314 A D S S+ 0 0 107 1,-0.1 53,-2.3 52,-0.1 2,-0.3 0.328 103.9 45.6 -80.9 8.1 -2.1 31.7 -2.6 19 315 A K E S+b 71 0A 67 51,-0.2 25,-0.5 2,-0.1 2,-0.3 -0.936 73.6 144.3-151.1 124.4 -1.6 29.3 0.2 20 316 A A E -bC 72 43A 0 51,-2.2 53,-2.4 -2,-0.3 2,-0.5 -0.993 48.6-119.9-163.2 153.5 1.5 27.4 1.0 21 317 A A E -bC 73 42A 0 21,-3.0 21,-2.2 -2,-0.3 2,-0.4 -0.853 43.2-162.6 -92.8 127.1 3.8 25.9 3.6 22 318 A L E - C 0 41A 1 51,-3.0 2,-0.5 -2,-0.5 53,-0.4 -0.946 18.8-171.8-122.4 137.1 7.2 27.6 3.1 23 319 A V E + C 0 40A 9 17,-2.5 17,-2.2 -2,-0.4 2,-0.6 -0.984 6.5 175.9-126.6 118.7 10.7 26.7 4.3 24 320 A V E - C 0 39A 9 -2,-0.5 2,-0.3 15,-0.2 15,-0.2 -0.892 29.7-146.3-121.4 92.2 13.6 29.2 3.7 25 321 A E E + C 0 38A 17 13,-1.9 12,-1.8 -2,-0.6 13,-0.6 -0.448 27.2 173.7 -74.2 130.0 16.4 27.5 5.4 26 322 A V - 0 0 5 -2,-0.3 10,-0.1 10,-0.2 5,-0.1 -0.966 5.9-175.7-130.9 108.2 19.2 29.3 7.3 27 323 A V + 0 0 8 -2,-0.5 2,-0.1 8,-0.3 -1,-0.1 0.789 55.9 95.4 -79.3 -29.4 21.5 26.8 9.0 28 324 A E S S- 0 0 115 7,-0.3 6,-0.1 1,-0.1 -2,-0.0 -0.435 75.1-137.3 -62.4 131.6 23.7 29.3 10.8 29 325 A E S S+ 0 0 133 1,-0.2 2,-1.0 -2,-0.1 -1,-0.1 0.920 99.2 55.4 -57.9 -45.4 22.4 29.8 14.3 30 326 A N S S- 0 0 35 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.815 76.5-169.1 -89.4 105.6 22.9 33.6 14.0 31 327 A Y > + 0 0 3 -2,-1.0 3,-1.5 3,-0.1 2,-0.5 0.368 40.6 125.9 -80.0 4.7 20.9 34.3 10.9 32 328 A H T 3 S- 0 0 6 1,-0.3 51,-0.1 275,-0.1 -2,-0.1 -0.534 95.6 -16.5 -70.4 117.4 22.2 37.9 10.4 33 329 A D T 3 S+ 0 0 93 -2,-0.5 -1,-0.3 49,-0.2 50,-0.1 0.851 106.9 150.3 56.3 35.7 23.6 38.3 6.8 34 330 A A < - 0 0 9 -3,-1.5 -1,-0.2 1,-0.1 2,-0.1 -0.595 50.5 -93.4 -97.3 160.0 23.7 34.5 6.8 35 331 A P - 0 0 78 0, 0.0 2,-0.6 0, 0.0 -7,-0.3 -0.384 22.3-139.5 -73.0 147.4 23.3 32.1 3.8 36 332 A I - 0 0 11 -10,-0.1 -10,-0.2 1,-0.1 17,-0.1 -0.961 19.6-171.1-105.0 115.3 19.9 30.7 2.7 37 333 A V - 0 0 36 -12,-1.8 2,-0.3 -2,-0.6 -11,-0.1 0.460 56.6 -15.9 -92.0 -2.5 20.8 27.1 1.8 38 334 A G E -C 25 0A 0 -13,-0.6 -13,-1.9 13,-0.1 2,-0.4 -0.888 52.4-134.6 171.1 158.6 17.6 25.9 0.2 39 335 A I E -CD 24 50A 1 11,-2.1 11,-3.1 -2,-0.3 2,-0.4 -0.985 14.1-172.5-134.3 141.4 13.9 26.5 -0.2 40 336 A A E -CD 23 49A 0 -17,-2.2 -17,-2.5 -2,-0.4 2,-0.4 -0.998 1.0-172.6-135.1 138.1 10.9 24.2 -0.0 41 337 A V E -CD 22 48A 0 7,-2.4 7,-3.3 -2,-0.4 2,-0.4 -0.997 2.7-176.0-132.9 132.0 7.3 24.9 -0.9 42 338 A V E +CD 21 47A 6 -21,-2.2 -21,-3.0 -2,-0.4 2,-0.2 -0.998 24.1 137.9-128.8 126.3 4.4 22.6 -0.3 43 339 A N E > -CD 20 46A 5 3,-2.5 3,-1.0 -2,-0.4 -23,-0.1 -0.771 67.7 -60.3-147.0-166.8 0.9 23.6 -1.5 44 340 A E T 3 S+ 0 0 159 -25,-0.5 3,-0.1 1,-0.2 -24,-0.1 0.804 129.5 49.0 -53.3 -34.9 -2.2 22.3 -3.2 45 341 A H T 3 S- 0 0 94 -31,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.636 119.7 -83.6 -85.1 -17.3 -0.3 21.3 -6.3 46 342 A G E < - D 0 43A 26 -3,-1.0 -3,-2.5 -32,-0.1 2,-0.4 -0.976 51.9 -50.2 150.1-163.3 2.6 19.4 -4.7 47 343 A R E - D 0 42A 90 -2,-0.3 -41,-2.9 -5,-0.2 2,-0.3 -0.950 48.4-176.1-117.4 133.8 5.9 19.6 -2.9 48 344 A F E -aD 6 41A 2 -7,-3.3 -7,-2.4 -2,-0.4 2,-0.5 -0.964 19.6-157.6-134.9 148.1 8.9 21.5 -4.3 49 345 A F E -aD 7 40A 2 -43,-2.5 -41,-1.0 -2,-0.3 2,-0.4 -0.989 18.0-171.7-121.0 127.4 12.6 22.2 -3.6 50 346 A L E - D 0 39A 1 -11,-3.1 -11,-2.1 -2,-0.5 -41,-0.1 -0.950 24.7-124.4-121.4 139.0 14.1 25.3 -5.1 51 347 A R > - 0 0 50 -43,-0.5 4,-2.6 -2,-0.4 3,-0.3 -0.642 24.9-130.0 -78.1 137.2 17.8 26.3 -5.0 52 348 A P H > S+ 0 0 29 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.908 104.9 57.0 -54.4 -48.6 18.1 29.7 -3.4 53 349 A E H 4 S+ 0 0 153 1,-0.2 4,-0.3 2,-0.2 5,-0.0 0.900 115.0 40.7 -50.6 -43.0 20.2 31.3 -6.2 54 350 A T H >> S+ 0 0 39 -3,-0.3 3,-1.0 2,-0.2 4,-0.7 0.974 118.6 42.3 -70.1 -58.7 17.5 30.3 -8.6 55 351 A A H >< S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.2 7,-0.4 0.910 113.7 49.7 -57.9 -49.3 14.4 31.2 -6.6 56 352 A L T 3< S+ 0 0 27 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.552 109.8 52.8 -71.9 -5.3 15.7 34.5 -5.1 57 353 A A T <4 S+ 0 0 77 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.557 87.9 95.1-101.8 -13.2 16.7 35.7 -8.6 58 354 A D S+ 0 0 99 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.804 95.0 57.2 -58.7 -27.7 11.1 38.2 -10.0 60 356 A Q H > S+ 0 0 116 2,-0.2 4,-1.8 3,-0.2 5,-0.1 0.913 109.9 42.1 -69.0 -44.2 8.0 36.1 -9.9 61 357 A F H > S+ 0 0 0 -3,-0.3 4,-2.9 -6,-0.2 5,-0.2 0.962 113.9 51.8 -66.5 -52.7 9.1 34.2 -6.7 62 358 A V H X S+ 0 0 45 -4,-2.5 4,-1.8 -7,-0.4 -2,-0.2 0.876 110.6 49.0 -51.6 -42.3 10.3 37.4 -5.0 63 359 A A H X S+ 0 0 63 -4,-1.9 4,-0.6 -5,-0.2 -1,-0.3 0.896 109.7 52.0 -66.4 -39.1 7.0 39.1 -5.8 64 360 A W H >< S+ 0 0 8 -4,-1.8 3,-1.2 1,-0.2 6,-0.2 0.935 106.9 53.4 -61.3 -46.2 5.1 36.1 -4.4 65 361 A L H 3< S+ 0 0 0 -4,-2.9 27,-3.1 1,-0.3 -1,-0.2 0.886 114.1 42.3 -55.1 -41.4 7.2 36.3 -1.2 66 362 A G H 3< S+ 0 0 27 -4,-1.8 2,-0.9 25,-0.2 -1,-0.3 0.438 87.0 107.2 -88.8 0.4 6.3 40.0 -0.8 67 363 A D X< - 0 0 52 -3,-1.2 3,-1.7 -4,-0.6 25,-0.1 -0.707 54.5-160.9 -84.5 108.7 2.6 39.5 -1.7 68 364 A E T 3 S+ 0 0 142 -2,-0.9 -1,-0.2 1,-0.3 -4,-0.0 0.702 89.4 60.8 -60.3 -21.1 0.6 39.9 1.5 69 365 A T T 3 S+ 0 0 88 1,-0.1 2,-0.9 2,-0.1 -1,-0.3 0.654 86.6 81.1 -82.3 -16.7 -2.3 38.2 -0.1 70 366 A K S < S- 0 0 51 -3,-1.7 2,-0.3 -6,-0.2 -51,-0.2 -0.831 82.1-142.9 -91.8 107.6 -0.3 35.0 -0.7 71 367 A K E -b 19 0A 81 -53,-2.3 -51,-2.2 -2,-0.9 2,-0.4 -0.567 16.8-167.2 -81.0 130.8 -0.5 33.2 2.7 72 368 A K E -be 20 94A 0 21,-2.5 23,-1.8 -2,-0.3 24,-1.3 -0.919 12.3-157.1-119.3 141.3 2.5 31.3 4.0 73 369 A S E +be 21 96A 0 -53,-2.4 -51,-3.0 -2,-0.4 2,-0.3 -0.956 32.5 157.5-111.4 131.0 2.8 28.8 6.9 74 370 A M E - e 0 97A 3 22,-2.8 24,-2.9 -2,-0.5 2,-0.5 -0.837 44.0-114.0-144.1 179.6 6.3 28.5 8.3 75 371 A F S S- 0 0 35 -53,-0.4 39,-0.1 -2,-0.3 22,-0.1 -0.983 98.6 -7.3-122.2 115.4 8.4 27.6 11.3 76 372 A D S >> S- 0 0 33 -2,-0.5 4,-1.1 1,-0.1 3,-0.7 0.990 71.4-177.1 63.3 60.9 10.3 30.5 12.8 77 373 A S H 3> S+ 0 0 13 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.782 73.8 68.2 -61.9 -26.9 9.4 33.1 10.2 78 374 A K H 3> S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.906 96.7 53.4 -60.9 -41.1 11.5 35.8 11.9 79 375 A R H <> S+ 0 0 54 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.939 114.5 40.6 -57.6 -48.8 14.7 33.9 11.0 80 376 A A H X S+ 0 0 2 -4,-1.1 4,-2.4 1,-0.2 -2,-0.2 0.917 113.7 53.6 -67.9 -43.5 13.7 33.8 7.3 81 377 A A H X S+ 0 0 18 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.890 112.8 43.2 -59.5 -42.0 12.4 37.3 7.2 82 378 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -49,-0.2 0.926 112.4 51.2 -71.8 -44.1 15.6 38.7 8.6 83 379 A A H < S+ 0 0 1 -4,-2.2 4,-0.4 -5,-0.3 -2,-0.2 0.873 113.4 47.9 -59.4 -35.8 17.9 36.6 6.4 84 380 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 3,-1.3 0.873 104.5 59.0 -72.3 -37.2 15.8 37.9 3.5 85 381 A K H ><5S+ 0 0 54 -4,-1.9 3,-2.2 1,-0.3 -2,-0.2 0.897 100.0 57.7 -57.6 -41.0 16.0 41.5 4.7 86 382 A W T 3<5S+ 0 0 52 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.706 107.4 48.1 -63.6 -18.8 19.8 41.3 4.4 87 383 A K T < 5S- 0 0 108 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.086 121.6-109.5-104.9 17.7 19.3 40.4 0.8 88 384 A G T < 5S+ 0 0 73 -3,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.777 77.3 131.5 60.1 29.2 16.9 43.3 0.2 89 385 A I < - 0 0 21 -5,-2.6 2,-0.4 -8,-0.1 -2,-0.2 -0.948 49.0-139.5-117.0 132.9 13.9 40.9 -0.1 90 386 A E - 0 0 134 -2,-0.4 2,-0.6 -28,-0.1 -23,-0.1 -0.734 6.9-156.8 -95.2 134.7 10.6 41.4 1.7 91 387 A L + 0 0 26 -2,-0.4 2,-0.3 -10,-0.1 -25,-0.2 -0.942 25.5 162.0-109.2 120.6 8.7 38.5 3.2 92 388 A C + 0 0 26 -27,-3.1 -25,-0.2 -2,-0.6 3,-0.1 -0.868 42.5 46.2-132.7 167.3 5.0 39.1 3.7 93 389 A G + 0 0 13 -2,-0.3 -21,-2.5 1,-0.2 2,-0.9 0.646 55.8 157.1 78.4 15.7 1.8 37.1 4.3 94 390 A V E +e 72 0A 37 -23,-0.2 -1,-0.2 1,-0.2 -21,-0.2 -0.653 7.7 169.0 -75.3 110.2 3.0 34.8 6.9 95 391 A S E + 0 0 43 -23,-1.8 2,-0.3 -2,-0.9 -22,-0.2 0.545 61.4 33.6-101.4 -7.7 -0.3 33.8 8.5 96 392 A F E -e 73 0A 1 -24,-1.3 -22,-2.8 -3,-0.1 2,-0.6 -0.930 55.5-171.3-152.9 124.2 0.9 30.9 10.7 97 393 A D E > -e 74 0A 2 -2,-0.3 4,-2.4 -24,-0.2 3,-0.4 -0.923 8.8-162.2-117.6 104.1 4.2 30.3 12.5 98 394 A L H > S+ 0 0 0 -24,-2.9 4,-2.7 -2,-0.6 5,-0.2 0.801 89.3 58.5 -55.0 -33.8 4.4 26.8 13.9 99 395 A L H > S+ 0 0 19 -25,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.945 111.0 40.8 -63.8 -45.7 7.3 27.7 16.3 100 396 A L H > S+ 0 0 2 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.880 114.8 52.4 -69.3 -36.6 5.1 30.4 18.0 101 397 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.915 111.7 46.1 -64.5 -43.6 2.1 28.1 17.9 102 398 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.926 110.9 54.1 -63.6 -43.6 4.0 25.4 19.6 103 399 A Y H < S+ 0 0 8 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.881 109.0 46.9 -57.8 -43.7 5.5 27.8 22.1 104 400 A L H < S+ 0 0 0 -4,-2.2 370,-0.5 1,-0.2 -1,-0.2 0.883 109.3 54.1 -68.8 -38.3 2.0 29.1 23.2 105 401 A L H < S- 0 0 3 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.904 136.1 -8.9 -63.9 -42.0 0.6 25.6 23.6 106 402 A D >< - 0 0 28 -4,-2.2 3,-1.5 -5,-0.1 4,-0.4 -0.574 55.2-174.7-161.6 94.4 3.4 24.6 25.9 107 403 A P G > S+ 0 0 7 0, 0.0 3,-1.0 0, 0.0 -3,-0.1 0.779 85.3 67.8 -57.8 -29.3 6.5 26.7 26.6 108 404 A A G 3 S+ 0 0 60 1,-0.2 -5,-0.1 208,-0.1 208,-0.1 0.733 82.4 72.5 -66.4 -24.7 8.0 23.9 28.7 109 405 A Q G < S- 0 0 115 -3,-1.5 -1,-0.2 -7,-0.2 -6,-0.1 0.787 91.2-141.6 -63.1 -26.6 8.5 21.6 25.7 110 406 A G < - 0 0 45 -3,-1.0 2,-0.3 -4,-0.4 -2,-0.1 0.863 22.5-167.6 67.9 35.7 11.4 23.7 24.4 111 407 A V + 0 0 14 -5,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.406 24.7 155.2 -60.3 117.9 10.4 23.3 20.8 112 408 A D + 0 0 122 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.326 60.0 35.9-126.7 0.2 13.3 24.5 18.7 113 409 A D S > S- 0 0 12 1,-0.1 4,-1.7 -14,-0.1 3,-0.3 -0.975 83.9-106.0-148.9 163.4 12.7 22.6 15.4 114 410 A V H > S+ 0 0 3 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.895 115.9 58.6 -56.8 -41.5 9.9 21.3 13.3 115 411 A A H > S+ 0 0 16 12,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.900 105.8 48.3 -56.6 -43.6 10.4 17.7 14.4 116 412 A A H > S+ 0 0 35 -3,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.868 113.8 46.5 -65.7 -37.4 9.9 18.6 18.1 117 413 A A H >< S+ 0 0 0 -4,-1.7 3,-1.0 1,-0.2 4,-0.3 0.925 111.5 51.8 -69.5 -43.6 6.7 20.6 17.3 118 414 A A H ><>S+ 0 0 0 -4,-3.1 5,-2.1 1,-0.3 3,-1.9 0.861 100.2 63.1 -60.3 -37.4 5.5 17.7 15.1 119 415 A K H ><5S+ 0 0 130 -4,-2.1 3,-2.1 1,-0.3 -1,-0.3 0.811 87.7 71.1 -59.1 -30.3 6.0 15.2 17.9 120 416 A M T <<5S+ 0 0 52 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.740 106.4 38.8 -59.0 -22.5 3.4 17.1 19.9 121 417 A K T < 5S- 0 0 61 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 -0.021 121.8-101.8-117.1 27.9 0.8 15.7 17.5 122 418 A Q T < 5S+ 0 0 166 -3,-2.1 2,-0.6 1,-0.2 -3,-0.2 0.799 77.2 141.5 59.0 28.9 2.3 12.2 17.0 123 419 A Y < + 0 0 47 -5,-2.1 -1,-0.2 -8,-0.1 -2,-0.2 -0.911 13.5 157.9-103.6 117.0 3.7 13.3 13.6 124 420 A E + 0 0 131 -2,-0.6 2,-0.8 -3,-0.1 -1,-0.1 0.271 34.8 109.7-125.4 15.0 7.2 11.8 13.1 125 421 A A S S+ 0 0 42 28,-0.1 2,-0.3 -7,-0.1 -1,-0.1 -0.140 72.3 71.7 -83.7 40.8 7.8 11.8 9.3 126 422 A V S S- 0 0 12 -2,-0.8 24,-0.1 -11,-0.1 -8,-0.0 -0.976 77.3-128.1-153.2 139.8 10.4 14.5 9.7 127 423 A R - 0 0 115 -2,-0.3 -12,-0.4 23,-0.1 2,-0.2 -0.581 29.7-105.1 -91.5 153.3 13.9 14.4 11.2 128 424 A P >> - 0 0 57 0, 0.0 3,-1.2 0, 0.0 4,-1.0 -0.555 30.3-121.2 -74.3 141.9 15.2 16.8 13.8 129 425 A D H >>>S+ 0 0 27 1,-0.3 4,-3.5 -2,-0.2 3,-0.8 0.856 111.4 60.1 -50.3 -40.3 17.6 19.4 12.4 130 426 A E H 3>5S+ 0 0 120 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.849 101.4 53.5 -59.7 -34.4 20.4 18.3 14.7 131 427 A A H <45S+ 0 0 62 -3,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.765 118.1 37.3 -71.9 -23.7 20.3 14.8 13.2 132 428 A V H <<5S+ 0 0 15 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.1 0.882 129.9 25.9 -94.1 -45.3 20.6 16.3 9.7 133 429 A Y H <5S- 0 0 6 -4,-3.5 7,-2.2 1,-0.2 -3,-0.2 0.667 95.5-143.6 -93.7 -19.9 23.1 19.2 10.2 134 430 A G << - 0 0 25 -4,-1.5 2,-0.3 -5,-0.6 -1,-0.2 -0.224 22.7 -88.8 79.5-178.5 24.9 17.9 13.3 135 431 A K > - 0 0 146 4,-0.1 3,-1.3 -4,-0.1 2,-0.1 -0.984 69.6 -20.6-137.7 147.5 26.1 20.3 16.0 136 432 A G G > S+ 0 0 60 -2,-0.3 3,-1.6 1,-0.3 0, 0.0 -0.371 126.9 5.9 66.9-134.6 29.1 22.4 16.8 137 433 A A G 3 S+ 0 0 116 1,-0.3 -1,-0.3 -2,-0.1 -3,-0.0 0.716 138.4 46.7 -55.8 -24.2 32.4 21.5 15.1 138 434 A K G < S+ 0 0 188 -3,-1.3 -1,-0.3 2,-0.0 -2,-0.2 0.518 81.9 120.1 -98.1 -7.0 30.6 18.8 13.0 139 435 A R < + 0 0 84 -3,-1.6 2,-0.3 -5,-0.1 -5,-0.2 -0.347 35.3 140.2 -61.9 136.5 27.6 21.0 12.0 140 436 A A - 0 0 60 -7,-2.2 -2,-0.0 -6,-0.1 -3,-0.0 -0.942 55.1 -91.7-173.2 152.8 27.4 21.3 8.2 141 437 A V - 0 0 67 -2,-0.3 3,-0.1 1,-0.1 -8,-0.1 -0.580 45.0-131.2 -75.2 127.7 24.9 21.4 5.3 142 438 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 -9,-0.0 -0.113 37.5 -73.1 -70.5 172.4 24.3 17.9 3.7 143 439 A D > - 0 0 132 1,-0.1 4,-2.9 4,-0.1 3,-0.4 -0.253 54.8 -97.8 -63.9 157.2 24.4 17.2 0.0 144 440 A E H > S+ 0 0 71 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.825 121.8 54.5 -47.2 -41.8 21.5 18.5 -2.1 145 441 A P H > S+ 0 0 89 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.956 114.7 38.6 -60.3 -50.1 19.7 15.1 -2.0 146 442 A V H > S+ 0 0 63 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.919 119.4 48.7 -65.1 -44.5 19.7 14.8 1.8 147 443 A L H X S+ 0 0 8 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.937 109.7 50.6 -61.5 -50.6 19.0 18.5 2.2 148 444 A A H X S+ 0 0 0 -4,-3.1 4,-2.0 -5,-0.2 -1,-0.2 0.863 110.7 48.4 -58.6 -40.0 16.1 18.7 -0.2 149 445 A E H X S+ 0 0 59 -4,-1.7 4,-2.3 -5,-0.3 -1,-0.2 0.902 111.3 51.3 -69.2 -38.2 14.3 15.8 1.3 150 446 A H H X S+ 0 0 4 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.928 111.5 45.9 -63.5 -45.7 14.7 17.3 4.8 151 447 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.879 113.2 49.4 -66.5 -37.9 13.4 20.7 3.8 152 448 A V H X S+ 0 0 0 -4,-2.0 4,-3.0 -5,-0.2 -1,-0.2 0.895 109.4 52.0 -68.6 -38.4 10.4 19.1 2.0 153 449 A R H X S+ 0 0 34 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.878 110.9 48.6 -64.5 -36.0 9.6 16.9 5.0 154 450 A K H X S+ 0 0 8 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.951 113.3 45.6 -68.6 -47.8 9.6 20.0 7.2 155 451 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.907 112.7 52.6 -59.7 -40.6 7.4 21.9 4.8 156 452 A A H X S+ 0 0 8 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.902 109.3 48.9 -61.7 -41.2 5.1 18.8 4.6 157 453 A A H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.957 111.5 48.5 -63.5 -50.4 4.9 18.7 8.4 158 454 A I H X S+ 0 0 1 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.922 109.9 52.6 -55.0 -46.8 4.0 22.4 8.6 159 455 A W H < S+ 0 0 90 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.878 116.6 40.1 -56.5 -39.7 1.4 21.9 5.9 160 456 A E H < S+ 0 0 107 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.826 115.7 48.6 -79.8 -35.4 -0.1 19.0 7.9 161 457 A L H X S+ 0 0 4 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.574 86.0 85.7 -86.3 -10.9 0.1 20.5 11.4 162 458 A E H X S+ 0 0 22 -4,-1.5 4,-2.6 -5,-0.2 5,-0.2 0.953 92.7 43.6 -55.9 -55.3 -1.3 23.9 10.9 163 459 A R H > S+ 0 0 188 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.911 114.3 49.3 -59.1 -47.2 -5.0 22.9 11.3 164 460 A P H > S+ 0 0 38 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.911 113.8 47.0 -61.0 -40.8 -4.4 20.7 14.4 165 461 A F H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.926 112.6 48.1 -67.7 -42.3 -2.3 23.4 16.1 166 462 A L H X S+ 0 0 56 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.872 109.0 55.1 -65.6 -36.3 -4.9 26.2 15.3 167 463 A D H X S+ 0 0 76 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.940 111.3 42.9 -61.9 -48.6 -7.7 24.0 16.6 168 464 A E H X S+ 0 0 44 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.894 112.3 53.7 -66.2 -38.3 -6.0 23.4 20.0 169 465 A L H <>S+ 0 0 0 -4,-2.2 5,-3.4 1,-0.2 6,-0.6 0.921 109.8 49.2 -60.5 -40.7 -5.0 27.1 20.2 170 466 A R H ><5S+ 0 0 143 -4,-2.4 3,-1.4 4,-0.2 -2,-0.2 0.917 108.6 51.5 -64.5 -43.5 -8.7 27.9 19.7 171 467 A R H 3<5S+ 0 0 166 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.858 111.2 48.8 -60.9 -36.1 -9.8 25.5 22.4 172 468 A N T 3<5S- 0 0 22 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.470 115.2-119.0 -80.6 -3.7 -7.3 27.2 24.7 173 469 A E T < 5S+ 0 0 129 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.883 84.3 117.1 64.4 38.2 -8.6 30.6 23.7 174 470 A Q >< + 0 0 0 -5,-3.4 4,-1.7 -6,-0.2 -4,-0.2 0.269 33.7 100.7-117.7 6.9 -5.2 31.4 22.5 175 471 A D H > S+ 0 0 29 -6,-0.6 4,-2.7 1,-0.2 5,-0.3 0.938 87.7 43.3 -60.7 -46.5 -5.9 31.9 18.8 176 472 A R H >>S+ 0 0 135 1,-0.2 4,-2.8 2,-0.2 5,-0.7 0.847 106.9 61.5 -68.2 -31.3 -5.9 35.7 19.0 177 473 A L H >>S+ 0 0 9 3,-0.2 5,-2.5 1,-0.2 4,-0.7 0.900 113.0 38.2 -60.4 -37.9 -2.8 35.6 21.2 178 474 A L H <>S+ 0 0 0 -4,-1.7 5,-2.5 3,-0.2 -2,-0.2 0.957 125.1 35.3 -75.9 -53.9 -1.0 34.0 18.3 179 475 A V H <5S+ 0 0 74 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.854 128.5 31.9 -72.9 -37.3 -2.6 35.9 15.4 180 476 A E H <5S+ 0 0 121 -4,-2.8 -3,-0.2 -5,-0.3 -1,-0.2 0.610 132.6 18.6 -99.8 -11.5 -3.0 39.4 17.0 181 477 A L T X S+ 0 0 45 0, 0.0 4,-1.4 0, 0.0 3,-0.5 0.908 112.7 54.1 -64.9 -36.3 2.7 40.7 14.4 185 481 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.853 99.1 64.3 -63.5 -31.1 5.3 41.1 17.2 186 482 A S H X S+ 0 0 4 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.887 102.5 46.9 -59.0 -40.9 7.5 38.8 15.2 187 483 A S H X S+ 0 0 75 -4,-1.1 4,-1.8 -3,-0.5 -1,-0.2 0.836 111.2 51.8 -69.7 -35.7 7.7 41.2 12.3 188 484 A I H X S+ 0 0 9 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.906 109.8 48.7 -67.4 -42.3 8.4 44.1 14.6 189 485 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.876 107.8 56.6 -64.8 -34.9 11.3 42.2 16.3 190 486 A A H X S+ 0 0 1 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.906 108.6 45.2 -63.2 -42.1 12.6 41.4 12.8 191 487 A E H X S+ 0 0 91 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.902 113.0 52.1 -67.3 -40.8 12.8 45.1 11.9 192 488 A M H X S+ 0 0 5 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.933 112.5 43.9 -59.7 -50.0 14.4 45.8 15.3 193 489 A E H < S+ 0 0 0 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.918 113.9 50.4 -62.8 -46.2 17.1 43.2 14.9 194 490 A F H < S+ 0 0 78 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.915 111.1 48.5 -59.9 -45.9 17.8 44.1 11.2 195 491 A A H < S- 0 0 22 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.903 94.3-177.5 -62.1 -43.3 18.2 47.8 12.1 196 492 A G < - 0 0 3 -4,-2.1 2,-0.4 -5,-0.2 111,-0.2 0.011 28.7 -80.4 69.6 178.8 20.5 47.1 15.0 197 493 A V E -F 306 0B 7 109,-2.0 109,-2.2 -4,-0.1 2,-0.1 -0.986 38.6-123.0-125.3 129.0 22.1 49.5 17.5 198 494 A K E -FG 305 345B 78 147,-0.6 147,-1.6 -2,-0.4 2,-0.4 -0.432 24.1-154.0 -73.2 142.2 25.2 51.5 16.7 199 495 A V E - G 0 344B 1 105,-3.0 2,-1.5 145,-0.2 145,-0.2 -0.949 17.1-137.4-120.3 137.3 28.2 51.2 19.0 200 496 A D >> + 0 0 65 143,-3.1 4,-2.0 -2,-0.4 3,-0.5 -0.711 27.9 179.6 -89.4 85.5 31.0 53.7 19.7 201 497 A T H 3> S+ 0 0 16 -2,-1.5 4,-2.9 1,-0.2 5,-0.3 0.856 77.0 56.0 -59.4 -37.0 33.8 51.2 19.5 202 498 A K H 3> S+ 0 0 143 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.856 107.6 50.6 -63.8 -32.6 36.5 53.8 20.2 203 499 A R H <> S+ 0 0 45 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.919 112.2 47.4 -69.0 -42.4 34.6 54.7 23.3 204 500 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.894 110.7 49.4 -65.5 -43.3 34.5 51.0 24.3 205 501 A E H X S+ 0 0 97 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.852 109.0 55.0 -65.1 -33.1 38.2 50.4 23.6 206 502 A Q H X S+ 0 0 85 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-74.5 139.7 6.9 51.2 33.0 359 655 A S S S- 0 0 25 208,-3.4 208,-0.5 -2,-0.2 5,-0.1 -0.844 78.8 -24.9 -95.6 116.1 7.1 52.1 36.7 360 656 A Q S > S+ 0 0 44 -2,-0.7 4,-2.1 1,-0.1 5,-0.2 0.850 78.3 165.0 54.0 42.8 6.3 49.2 39.0 361 657 A I H > + 0 0 9 -3,-0.3 4,-2.4 1,-0.2 5,-0.2 0.850 69.6 54.6 -59.8 -34.6 4.3 47.3 36.4 362 658 A E H > S+ 0 0 30 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 110.4 44.3 -67.1 -42.1 4.5 44.0 38.2 363 659 A L H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.858 114.1 51.0 -69.5 -33.4 3.0 45.4 41.5 364 660 A R H X S+ 0 0 5 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.880 110.7 48.5 -69.5 -39.0 0.4 47.3 39.5 365 661 A V H X S+ 0 0 3 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.914 110.7 51.5 -66.6 -41.4 -0.5 44.1 37.7 366 662 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.4 0.936 108.1 51.8 -59.7 -45.6 -0.7 42.3 41.1 367 663 A A H X>S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 5,-0.8 0.908 113.3 45.6 -57.4 -42.0 -3.0 45.1 42.4 368 664 A H H <5S+ 0 0 25 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.946 116.4 42.5 -65.9 -51.8 -5.2 44.6 39.3 369 665 A I H <5S+ 0 0 48 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.897 121.8 38.5 -64.1 -44.8 -5.3 40.7 39.4 370 666 A A H <5S- 0 0 2 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.656 95.3-144.2 -80.8 -17.2 -5.7 40.4 43.2 371 667 A E T <5 + 0 0 92 -4,-1.1 2,-0.6 -5,-0.4 -3,-0.2 0.913 29.1 178.9 52.1 46.0 -8.1 43.4 43.3 372 668 A D >< - 0 0 3 -5,-0.8 4,-3.0 -6,-0.2 5,-0.3 -0.717 23.5-151.0 -82.6 118.5 -6.6 44.4 46.7 373 669 A D H > S+ 0 0 131 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.894 94.7 47.8 -55.1 -46.3 -8.3 47.6 47.8 374 670 A N H > S+ 0 0 42 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.934 115.4 44.5 -63.4 -46.6 -5.4 48.9 49.8 375 671 A L H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.905 114.4 48.4 -67.1 -41.5 -2.9 48.2 47.0 376 672 A M H X S+ 0 0 9 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.924 110.8 51.1 -65.3 -41.7 -5.1 49.7 44.3 377 673 A E H X S+ 0 0 75 -4,-2.4 4,-1.4 -5,-0.3 -1,-0.2 0.854 106.6 55.6 -63.0 -35.2 -5.7 52.8 46.3 378 674 A A H <>S+ 0 0 3 -4,-1.7 5,-2.4 1,-0.2 3,-0.3 0.939 111.7 42.0 -63.2 -46.1 -2.0 53.2 46.9 379 675 A F H ><5S+ 0 0 5 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.794 108.9 59.4 -72.7 -24.6 -1.4 53.2 43.1 380 676 A R H 3<5S+ 0 0 131 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.811 109.4 44.1 -71.5 -26.5 -4.4 55.4 42.5 381 677 A R T 3<5S- 0 0 157 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.344 110.6-128.4 -94.3 3.5 -2.7 58.0 44.8 382 678 A D T < 5 + 0 0 80 -3,-0.8 -3,-0.2 1,-0.1 -2,-0.1 0.878 48.6 171.4 48.0 44.5 0.6 57.3 43.0 383 679 A L < - 0 0 64 -5,-2.4 2,-1.0 -6,-0.1 -1,-0.1 -0.305 48.8 -93.4 -78.1 164.5 2.2 56.7 46.4 384 680 A D > - 0 0 73 1,-0.2 4,-2.3 -2,-0.1 3,-0.2 -0.735 41.0-153.8 -77.7 110.5 5.7 55.4 46.9 385 681 A I H > S+ 0 0 3 -2,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.803 87.8 52.8 -61.4 -31.6 4.7 51.8 47.2 386 682 A H H > S+ 0 0 6 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.880 110.9 45.9 -73.3 -36.8 7.7 50.8 49.4 387 683 A T H > S+ 0 0 20 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.908 113.3 51.3 -69.6 -41.9 7.1 53.6 51.9 388 684 A K H X S+ 0 0 32 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.904 109.2 49.3 -62.1 -42.2 3.4 52.7 52.0 389 685 A T H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.902 110.9 51.3 -64.4 -38.4 4.1 49.0 52.6 390 686 A A H X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 6,-0.2 0.926 107.2 52.7 -63.9 -44.2 6.5 50.0 55.4 391 687 A M H <>S+ 0 0 49 -4,-2.6 5,-1.1 1,-0.2 4,-0.3 0.874 115.2 42.8 -58.7 -37.7 3.8 52.2 57.0 392 688 A D H <5S+ 0 0 31 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.943 116.5 41.6 -76.3 -50.8 1.4 49.3 56.9 393 689 A I H <5S+ 0 0 5 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.598 128.1 34.4 -75.8 -9.4 3.6 46.4 58.1 394 690 A F T <5S- 0 0 50 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.383 101.4-137.5-117.9 -4.2 5.2 48.6 60.8 395 691 A Q T 5 + 0 0 164 -4,-0.3 2,-0.3 -5,-0.2 -3,-0.2 0.887 57.0 128.5 45.7 53.5 2.0 50.6 61.4 396 692 A V < - 0 0 35 -5,-1.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.786 62.1 -95.0-127.1 170.5 3.8 54.0 61.6 397 693 A S > - 0 0 49 -2,-0.3 3,-0.5 -3,-0.1 4,-0.5 -0.335 42.8-100.8 -80.6 169.2 3.2 57.3 59.9 398 694 A E G > S+ 0 0 130 1,-0.2 3,-0.8 2,-0.2 -1,-0.1 0.836 122.9 55.8 -60.3 -32.5 5.1 58.3 56.7 399 695 A D G 3 S+ 0 0 157 1,-0.2 -1,-0.2 3,-0.0 -3,-0.0 0.836 102.7 54.7 -68.8 -33.4 7.4 60.5 58.8 400 696 A E G < S+ 0 0 117 -3,-0.5 2,-0.8 2,-0.1 -1,-0.2 0.501 78.5 111.0 -80.4 -4.2 8.4 57.5 61.1 401 697 A V < - 0 0 23 -3,-0.8 -10,-0.1 -4,-0.5 -14,-0.0 -0.625 57.4-157.3 -75.6 110.1 9.5 55.4 58.1 402 698 A T > - 0 0 69 -2,-0.8 4,-1.9 1,-0.1 3,-0.5 -0.417 29.7-106.0 -82.4 160.9 13.3 55.1 58.4 403 699 A P H > S+ 0 0 117 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.889 122.5 51.8 -55.2 -38.6 15.5 54.3 55.4 404 700 A N H > S+ 0 0 82 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.844 106.3 54.3 -68.4 -31.6 16.0 50.7 56.8 405 701 A M H > S+ 0 0 31 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.887 110.0 46.3 -67.4 -39.7 12.3 50.2 57.2 406 702 A R H X S+ 0 0 76 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.880 108.5 56.5 -70.0 -37.9 11.7 51.2 53.5 407 703 A R H X S+ 0 0 118 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.880 111.9 42.8 -60.4 -38.8 14.6 48.9 52.4 408 704 A Q H X S+ 0 0 20 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.837 111.9 51.4 -78.3 -33.8 12.9 46.0 54.1 409 705 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.856 109.2 54.8 -69.1 -33.1 9.4 46.8 52.9 410 706 A K H X S+ 0 0 93 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.950 107.2 47.3 -62.9 -50.4 10.9 46.9 49.5 411 707 A A H X S+ 0 0 18 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.804 112.4 51.7 -62.4 -30.4 12.4 43.4 49.8 412 708 A V H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.934 106.8 52.3 -71.9 -45.9 9.0 42.2 51.0 413 709 A N H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.918 115.9 40.1 -56.0 -45.6 7.1 43.8 48.0 414 710 A Y H X S+ 0 0 87 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.735 112.5 56.0 -77.5 -21.3 9.4 42.0 45.6 415 711 A G H <>S+ 0 0 4 -4,-1.2 5,-3.5 -5,-0.2 4,-0.4 0.899 103.6 55.1 -74.7 -39.1 9.5 38.8 47.6 416 712 A I H ><5S+ 0 0 6 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.904 106.1 51.3 -58.6 -43.5 5.7 38.6 47.4 417 713 A V H 3<5S+ 0 0 1 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.843 112.4 46.6 -63.4 -34.1 5.8 38.8 43.6 418 714 A Y T 3<5S- 0 0 132 -4,-1.1 -1,-0.3 -3,-0.1 -2,-0.2 0.402 117.7-111.4 -88.5 1.2 8.3 36.0 43.5 419 715 A G T < 5 - 0 0 7 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.908 50.0-163.5 69.0 39.9 6.4 33.9 45.9 420 716 A I < - 0 0 43 -5,-3.5 2,-0.2 -8,-0.2 -1,-0.1 -0.104 8.5-131.4 -57.3 153.8 9.1 34.4 48.5 421 717 A S > - 0 0 48 1,-0.1 4,-2.2 19,-0.0 5,-0.3 -0.684 23.2-113.5-104.5 161.1 9.4 32.1 51.6 422 718 A D T 4 S+ 0 0 55 -2,-0.2 4,-0.4 1,-0.2 14,-0.2 0.766 123.1 51.6 -62.5 -21.0 9.8 33.2 55.3 423 719 A Y T > S+ 0 0 148 2,-0.2 4,-1.7 1,-0.1 -1,-0.2 0.908 111.0 43.7 -79.2 -44.8 13.2 31.5 54.8 424 720 A G H > S+ 0 0 21 2,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.727 111.1 53.1 -73.1 -23.8 14.2 33.4 51.7 425 721 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.747 110.8 51.5 -78.3 -22.2 13.0 36.7 53.0 426 722 A A H >>S+ 0 0 9 -4,-0.4 5,-1.6 -5,-0.3 4,-0.6 0.850 110.8 45.0 -78.6 -36.5 15.3 35.7 55.9 427 723 A Q H <5S+ 0 0 107 -4,-1.7 -2,-0.2 3,-0.2 -3,-0.2 0.792 117.5 45.2 -77.6 -29.2 18.3 35.1 53.6 428 724 A N H <5S+ 0 0 95 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.2 0.898 125.7 30.2 -79.5 -44.1 17.6 38.2 51.6 429 725 A L H <5S- 0 0 8 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.460 104.9-130.8 -92.2 -3.9 17.1 40.5 54.7 430 726 A N T <5 + 0 0 107 -4,-0.6 -3,-0.2 -6,-0.2 2,-0.2 0.967 62.7 121.1 50.7 65.0 19.4 38.3 56.8 431 727 A I < - 0 0 67 -5,-1.6 2,-0.2 -8,-0.2 -1,-0.2 -0.689 67.5 -52.6-138.4-170.0 17.1 38.0 59.7 432 728 A S > - 0 0 47 -2,-0.2 4,-2.8 1,-0.1 5,-0.3 -0.502 40.6-132.2 -73.8 138.8 15.2 35.4 61.8 433 729 A R H > S+ 0 0 156 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.811 111.0 46.7 -59.7 -30.5 13.1 32.8 59.9 434 730 A K H > S+ 0 0 134 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.773 111.1 50.8 -82.3 -28.2 10.3 33.5 62.4 435 731 A E H > S+ 0 0 104 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.875 109.5 50.2 -75.3 -37.8 10.7 37.3 62.1 436 732 A A H X S+ 0 0 2 -4,-2.8 4,-2.3 1,-0.2 3,-0.3 0.925 108.7 53.9 -63.2 -42.9 10.6 37.1 58.3 437 733 A A H X S+ 0 0 20 -4,-1.4 4,-1.9 -5,-0.3 -1,-0.2 0.827 107.5 50.4 -60.6 -32.8 7.4 35.0 58.7 438 734 A E H X S+ 0 0 104 -4,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.792 105.7 54.8 -77.7 -27.8 5.9 37.8 60.8 439 735 A F H X S+ 0 0 37 -4,-1.6 4,-2.8 -3,-0.3 -2,-0.2 0.957 111.0 46.6 -65.2 -48.4 6.7 40.4 58.2 440 736 A I H X S+ 0 0 25 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.890 110.1 52.4 -58.9 -42.9 4.8 38.3 55.7 441 737 A E H X S+ 0 0 102 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.910 111.5 47.7 -59.9 -43.4 1.9 37.8 58.2 442 738 A R H >X S+ 0 0 46 -4,-2.2 4,-1.8 2,-0.2 3,-0.6 0.920 109.2 53.4 -63.3 -44.4 1.8 41.6 58.6 443 739 A Y H 3X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.3 3,-0.3 0.930 109.1 47.8 -57.1 -48.4 1.9 42.1 54.8 444 740 A F H 3< S+ 0 0 44 -4,-2.6 -1,-0.3 1,-0.2 7,-0.2 0.700 107.6 57.5 -68.6 -17.4 -1.0 39.8 54.3 445 741 A E H << S+ 0 0 124 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.839 112.3 39.8 -77.9 -36.7 -2.9 41.6 57.0 446 742 A S H < S+ 0 0 21 -4,-1.8 -2,-0.2 -3,-0.3 -72,-0.2 0.758 127.4 35.5 -81.8 -27.5 -2.5 45.0 55.2 447 743 A F >X + 0 0 0 -4,-2.1 4,-1.8 -5,-0.2 3,-0.8 -0.545 63.7 159.2-127.0 67.7 -3.2 43.4 51.8 448 744 A P H 3> S+ 0 0 77 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.752 75.2 62.9 -60.1 -24.6 -5.8 40.6 52.3 449 745 A G H 3> S+ 0 0 6 2,-0.2 4,-2.2 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