==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEOTIDYLTRANSFERASE 09-OCT-96 1JXE . COMPND 2 MOLECULE: TAQ DNA POLYMERASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR C.OEFNER,D.H.GELFAND,S.STOFFEL,F.K.WINKLER . 525 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25432.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 400 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 9.9 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 33 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 235 44.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.3 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 2 1 1 3 2 1 3 1 0 1 2 1 0 1 1 0 1 0 0 0 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 1 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 2 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 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 293 A A 0 0 152 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.8 27.5 -5.8 22.2 2 294 A L - 0 0 75 37,-0.0 2,-0.4 0, 0.0 37,-0.2 -0.766 360.0 -87.0-119.2 166.6 27.0 -6.7 18.6 3 295 A E E -a 39 0A 129 35,-2.0 37,-2.4 -2,-0.3 2,-0.1 -0.623 35.5-131.6 -82.7 125.0 27.5 -10.0 16.7 4 296 A E E +a 40 0A 123 -2,-0.4 37,-0.2 35,-0.2 -1,-0.0 -0.401 30.4 179.8 -67.7 145.3 30.9 -10.9 15.4 5 297 A A E -a 41 0A 23 35,-1.9 37,-0.6 -2,-0.1 34,-0.0 -0.991 29.3 -99.3-150.1 144.6 31.0 -12.1 11.8 6 298 A P - 0 0 114 0, 0.0 37,-0.1 0, 0.0 0, 0.0 -0.177 56.2 -70.2 -63.1 156.2 33.7 -13.2 9.4 7 299 A W S S+ 0 0 39 35,-0.3 35,-0.0 2,-0.0 36,-0.0 -0.586 97.9 54.3 -82.2 149.5 35.3 -10.9 6.8 8 300 A P - 0 0 71 0, 0.0 34,-0.1 0, 0.0 3,-0.1 0.623 68.3-152.9 -92.4 164.8 34.3 -9.7 4.2 9 301 A P - 0 0 16 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.534 30.8 -91.3 -92.9 162.9 31.1 -7.8 4.9 10 302 A P > - 0 0 63 0, 0.0 3,-0.9 0, 0.0 2,-0.0 -0.351 58.0 -85.3 -68.5 156.9 28.3 -7.1 2.3 11 303 A E T 3 S+ 0 0 158 1,-0.2 3,-0.1 -3,-0.1 42,-0.1 -0.356 113.9 48.8 -65.0 144.4 28.7 -3.9 0.3 12 304 A G T 3 S+ 0 0 43 1,-0.4 -1,-0.2 43,-0.2 2,-0.2 0.380 77.9 138.6 105.8 -0.1 27.2 -0.9 2.0 13 305 A A < - 0 0 5 -3,-0.9 2,-0.4 23,-0.1 44,-0.4 -0.501 56.0-116.2 -79.0 146.4 28.9 -1.6 5.4 14 306 A F E -B 35 0A 15 21,-2.8 21,-2.4 -2,-0.2 2,-0.3 -0.700 30.4-136.5 -86.3 131.3 30.4 1.3 7.4 15 307 A V E -B 34 0A 4 42,-3.0 2,-0.4 -2,-0.4 44,-0.2 -0.661 18.2-172.5 -94.5 142.0 34.1 1.1 7.9 16 308 A G E +B 33 0A 2 17,-2.7 17,-2.5 -2,-0.3 2,-0.3 -0.970 14.7 171.3-127.0 142.8 36.1 1.8 11.0 17 309 A F E -B 32 0A 13 -2,-0.4 2,-0.4 15,-0.2 15,-0.2 -0.984 24.2-144.8-152.2 161.3 40.0 1.9 11.1 18 310 A V E -B 31 0A 18 13,-2.0 12,-1.7 -2,-0.3 13,-1.3 -0.996 14.7-158.6-133.4 129.5 43.0 2.7 13.3 19 311 A L E -B 29 0A 32 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.673 21.6-136.0-103.9 159.8 46.2 4.3 12.1 20 312 A S S S+ 0 0 65 8,-1.2 2,-0.3 -2,-0.2 9,-0.1 0.606 93.6 19.9 -86.2 -14.2 49.7 4.2 13.7 21 313 A R S S- 0 0 119 7,-0.2 6,-0.2 2,-0.1 -1,-0.1 -0.967 80.6-115.2-150.6 156.7 50.2 7.9 13.0 22 314 A K S S+ 0 0 162 -2,-0.3 3,-0.1 -3,-0.1 -1,-0.0 0.772 94.9 80.8 -69.9 -26.9 47.9 10.8 12.2 23 315 A E S >> S- 0 0 43 1,-0.2 3,-2.2 2,-0.0 4,-2.2 -0.728 70.3-153.1 -86.2 109.9 49.2 11.4 8.7 24 316 A P T 34 S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.844 93.3 54.5 -46.9 -44.0 47.6 8.8 6.3 25 317 A M T 34 S+ 0 0 5 1,-0.2 -2,-0.0 230,-0.1 -3,-0.0 0.613 119.2 33.3 -70.6 -11.7 50.5 8.8 3.9 26 318 A W T <4 S+ 0 0 71 -3,-2.2 -1,-0.2 -5,-0.1 -4,-0.1 0.575 100.1 97.6-116.5 -17.1 53.0 8.0 6.7 27 319 A A < - 0 0 1 -4,-2.2 2,-0.5 -6,-0.2 -5,-0.1 -0.192 66.6-129.6 -73.7 164.7 50.8 5.8 9.0 28 320 A D - 0 0 81 -2,-0.0 -8,-1.2 0, 0.0 2,-1.0 -0.956 26.7-118.8-114.3 130.4 50.7 2.0 9.2 29 321 A L E +B 19 0A 5 -2,-0.5 18,-0.3 -10,-0.2 -10,-0.2 -0.605 38.7 171.5 -74.8 104.0 47.2 0.5 9.0 30 322 A L E + 0 0 98 -12,-1.7 2,-0.3 -2,-1.0 -1,-0.2 0.898 59.4 9.0 -81.4 -44.4 46.9 -1.3 12.3 31 323 A A E -B 18 0A 33 -13,-1.3 -13,-2.0 14,-0.1 2,-0.3 -0.991 55.4-175.4-142.7 149.7 43.2 -2.4 12.4 32 324 A L E +B 17 0A 4 -2,-0.3 11,-2.3 11,-0.3 2,-0.3 -0.996 13.0 160.7-144.9 136.6 40.2 -2.4 10.0 33 325 A A E -BC 16 42A 1 -17,-2.5 -17,-2.7 -2,-0.3 2,-0.3 -0.958 19.3-149.3-151.1 165.5 36.6 -3.4 10.6 34 326 A A E -BC 15 41A 0 7,-2.2 7,-3.0 -2,-0.3 2,-0.4 -0.993 5.2-158.9-142.9 148.2 33.1 -3.0 9.2 35 327 A A E +BC 14 40A 0 -21,-2.4 -21,-2.8 -2,-0.3 2,-0.3 -0.973 20.9 148.3-131.7 144.1 29.6 -2.8 10.5 36 328 A R E > - C 0 39A 119 3,-1.4 3,-2.2 -2,-0.4 -23,-0.1 -0.905 67.1 -3.9-167.2 144.3 26.2 -3.4 8.9 37 329 A G T 3 S- 0 0 51 -2,-0.3 0, 0.0 1,-0.3 0, 0.0 -0.396 126.3 -43.2 60.5-144.7 22.9 -4.7 10.4 38 330 A G T 3 S+ 0 0 41 -3,-0.1 -35,-2.0 2,-0.0 -1,-0.3 0.060 117.4 100.8-103.4 26.8 23.7 -5.6 14.0 39 331 A R E < -aC 3 36A 126 -3,-2.2 -3,-1.4 -37,-0.2 2,-0.4 -0.718 54.5-153.6-114.1 161.9 27.0 -7.3 13.0 40 332 A V E -aC 4 35A 7 -37,-2.4 -35,-1.9 -2,-0.3 2,-0.5 -0.989 5.0-160.1-131.9 138.6 30.7 -6.4 13.0 41 333 A H E -aC 5 34A 13 -7,-3.0 -7,-2.2 -2,-0.4 2,-0.5 -0.977 5.5-161.9-124.0 118.4 33.4 -7.8 10.7 42 334 A R E - C 0 33A 98 -37,-0.6 -35,-0.3 -2,-0.5 -9,-0.2 -0.876 20.5-127.0-102.5 127.5 37.0 -7.6 11.8 43 335 A A - 0 0 15 -11,-2.3 -11,-0.3 -2,-0.5 4,-0.1 -0.529 6.9-148.9 -74.3 133.1 39.7 -8.0 9.1 44 336 A P S S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.949 92.4 18.6 -65.4 -49.5 42.3 -10.7 9.8 45 337 A E S > S- 0 0 66 1,-0.2 4,-2.1 -14,-0.0 3,-0.2 -0.920 78.5-150.3-128.6 104.1 45.1 -8.8 7.9 46 338 A P H > S+ 0 0 18 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.827 86.7 51.0 -35.4 -65.5 44.3 -5.1 7.3 47 339 A Y H >> S+ 0 0 56 -18,-0.3 3,-0.8 1,-0.2 4,-0.6 0.903 114.5 40.3 -49.4 -56.4 46.1 -4.4 4.0 48 340 A K H >4 S+ 0 0 134 1,-0.2 3,-1.3 -3,-0.2 4,-0.4 0.898 106.9 68.1 -61.0 -38.3 44.7 -7.2 2.0 49 341 A A H >< S+ 0 0 4 -4,-2.1 3,-2.1 1,-0.3 4,-0.4 0.832 86.6 68.1 -48.7 -39.5 41.3 -6.6 3.6 50 342 A L H X< S+ 0 0 3 -4,-1.4 3,-2.4 -3,-0.8 -1,-0.3 0.873 88.0 65.0 -50.2 -43.9 41.0 -3.3 1.8 51 343 A R T << S+ 0 0 188 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.650 92.9 62.6 -57.7 -16.6 40.7 -5.0 -1.6 52 344 A D T < S+ 0 0 88 -3,-2.1 2,-0.3 -4,-0.4 -1,-0.3 0.629 90.8 81.7 -84.1 -13.9 37.4 -6.5 -0.5 53 345 A L < - 0 0 24 -3,-2.4 3,-0.1 -4,-0.4 -42,-0.0 -0.730 55.3-169.1 -95.0 140.4 35.8 -3.0 -0.1 54 346 A K S S+ 0 0 159 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.513 78.9 20.3-101.5 -8.1 34.4 -1.1 -3.1 55 347 A E - 0 0 81 20,-0.1 2,-1.1 2,-0.1 -1,-0.3 -0.907 69.8-129.2-164.3 129.2 34.0 2.1 -1.1 56 348 A A B +d 77 0B 1 20,-2.9 22,-3.0 -2,-0.3 2,-0.6 -0.731 40.2 177.2 -81.5 103.6 35.4 3.6 2.1 57 349 A R + 0 0 46 -2,-1.1 -42,-3.0 -44,-0.4 2,-0.3 -0.945 34.1 43.5-116.8 112.8 32.1 4.6 3.8 58 350 A G S > S- 0 0 2 21,-1.6 3,-1.5 -2,-0.6 20,-0.1 -0.926 91.4 -8.0 150.2-174.4 32.3 6.1 7.3 59 351 A L T 3 S+ 0 0 7 54,-0.3 58,-0.1 -2,-0.3 21,-0.1 -0.276 127.8 1.5 -55.4 129.0 34.0 8.5 9.6 60 352 A L T >> S+ 0 0 47 3,-0.1 4,-1.2 1,-0.1 3,-0.5 0.830 79.3 163.4 60.4 37.1 37.2 10.0 8.1 61 353 A A H <> + 0 0 3 -3,-1.5 4,-2.4 1,-0.2 3,-0.5 0.895 67.0 59.7 -50.1 -48.9 36.7 8.1 4.8 62 354 A K H 3> S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.888 99.8 56.3 -49.8 -46.4 39.1 10.4 2.9 63 355 A D H <> S+ 0 0 19 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.907 109.3 45.8 -55.3 -44.0 42.0 9.5 5.2 64 356 A L H X S+ 0 0 1 -4,-1.2 4,-2.6 -3,-0.5 -1,-0.2 0.926 108.4 56.7 -65.5 -43.1 41.5 5.8 4.5 65 357 A S H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 10,-0.3 0.873 105.1 53.6 -55.4 -38.0 41.2 6.5 0.7 66 358 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.979 108.3 46.7 -61.3 -56.8 44.6 8.2 0.9 67 359 A L H X S+ 0 0 0 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.914 113.6 50.5 -50.6 -47.7 46.3 5.2 2.5 68 360 A A H ><>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 3,-0.7 0.909 107.7 53.0 -58.7 -45.0 44.7 2.9 -0.1 69 361 A L H ><5S+ 0 0 41 -4,-2.6 3,-2.1 1,-0.3 -1,-0.2 0.900 104.5 53.9 -60.4 -40.9 45.8 5.1 -3.0 70 362 A R H 3<5S+ 0 0 44 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.768 107.0 54.4 -66.0 -21.2 49.4 5.0 -1.9 71 363 A E T <<5S- 0 0 58 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.225 125.6-103.9 -93.6 12.6 49.1 1.2 -1.9 72 364 A G T < 5S+ 0 0 68 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.568 81.1 127.9 79.0 8.9 47.9 1.3 -5.5 73 365 A L < - 0 0 34 -5,-2.7 2,-1.3 -6,-0.2 -1,-0.2 -0.834 56.1-141.7-102.9 137.3 44.2 0.8 -4.7 74 366 A G + 0 0 67 -2,-0.4 -9,-0.1 -3,-0.1 -5,-0.0 -0.612 35.6 163.1 -94.3 75.5 41.4 3.0 -5.9 75 367 A L - 0 0 9 -2,-1.3 -6,-0.2 -10,-0.3 -20,-0.1 -0.825 27.4-146.1 -99.0 101.9 39.2 3.0 -2.8 76 368 A P - 0 0 63 0, 0.0 -20,-2.9 0, 0.0 2,-0.3 -0.319 14.0-116.4 -68.1 144.6 36.7 6.0 -3.1 77 369 A P B -d 56 0B 15 0, 0.0 -20,-0.2 0, 0.0 70,-0.2 -0.625 39.5-178.1 -79.7 137.4 35.5 8.0 -0.0 78 370 A G - 0 0 2 -22,-3.0 -16,-0.1 1,-0.4 -17,-0.1 -0.158 44.0 -17.7-115.6-149.0 31.8 7.7 0.5 79 371 A D - 0 0 13 -2,-0.1 -21,-1.6 -18,-0.1 -1,-0.4 -0.289 60.7-171.9 -57.4 140.6 29.3 9.1 3.0 80 372 A D >> - 0 0 9 -23,-0.2 3,-1.3 -3,-0.1 4,-1.2 -0.932 24.4-145.4-142.4 112.6 31.0 10.4 6.0 81 373 A P H 3> S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.802 97.6 68.8 -45.7 -35.0 29.0 11.6 9.1 82 374 A M H 3> S+ 0 0 3 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.929 98.5 48.9 -51.8 -50.0 31.6 14.3 9.7 83 375 A L H <> S+ 0 0 5 -3,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.926 112.4 47.9 -57.6 -47.3 30.5 16.1 6.5 84 376 A L H X S+ 0 0 0 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.939 113.3 47.6 -59.3 -48.2 26.8 15.9 7.6 85 377 A A H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 7,-0.3 0.917 110.9 51.7 -59.5 -44.7 27.6 17.2 11.1 86 378 A Y H < S+ 0 0 2 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.906 109.4 49.7 -59.9 -43.5 29.7 20.0 9.7 87 379 A L H < S+ 0 0 2 -4,-2.4 334,-0.5 1,-0.2 -1,-0.2 0.863 109.4 52.2 -64.7 -35.8 26.9 21.1 7.4 88 380 A L H < S- 0 0 25 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.882 137.0 -6.7 -67.0 -38.0 24.4 21.0 10.3 89 381 A D >< - 0 0 16 -4,-2.1 3,-2.5 -5,-0.2 -1,-0.3 -0.780 60.7-144.3-162.6 110.8 26.7 23.2 12.4 90 382 A P T 3 S+ 0 0 4 0, 0.0 -4,-0.1 0, 0.0 176,-0.1 0.604 94.9 77.5 -52.5 -14.9 30.2 24.3 11.3 91 383 A S T 3 S+ 0 0 65 -6,-0.1 2,-1.5 1,-0.1 3,-0.2 0.821 71.3 90.2 -66.5 -30.4 31.3 24.1 15.0 92 384 A N < + 0 0 9 -3,-2.5 -3,-0.1 -7,-0.3 -1,-0.1 -0.523 47.9 140.4 -69.3 92.3 31.4 20.3 14.6 93 385 A T + 0 0 51 -2,-1.5 -1,-0.2 1,-0.1 168,-0.2 0.649 51.8 49.6-112.0 -19.9 35.0 20.0 13.5 94 386 A T S > S- 0 0 56 -3,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.924 72.8-127.8-123.6 150.5 36.4 16.9 15.3 95 387 A P H > S+ 0 0 18 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.896 112.1 51.6 -60.3 -41.3 35.1 13.3 15.5 96 388 A E H > S+ 0 0 88 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.957 111.0 48.2 -60.2 -48.9 35.4 13.3 19.3 97 389 A G H > S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 113.1 47.4 -57.3 -44.6 33.5 16.5 19.4 98 390 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 6,-0.2 0.942 110.0 51.9 -63.1 -49.0 30.8 15.2 17.1 99 391 A A H <>S+ 0 0 1 -4,-2.8 5,-2.6 2,-0.2 3,-0.4 0.940 111.1 47.2 -52.8 -54.1 30.4 11.9 19.0 100 392 A R H ><5S+ 0 0 186 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.944 111.1 50.8 -53.5 -54.8 29.9 13.6 22.3 101 393 A R H 3<5S+ 0 0 136 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.791 118.2 39.2 -56.9 -30.1 27.4 16.1 21.0 102 394 A Y T 3<5S- 0 0 27 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.155 122.5 -91.7-111.8 21.3 25.3 13.3 19.4 103 395 A G T < 5S+ 0 0 71 -3,-1.6 2,-0.2 -4,-0.3 -3,-0.2 0.439 86.3 105.0 92.9 -0.9 25.5 10.5 22.0 104 396 A G < - 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0 0 8 225,-2.1 3,-0.1 -2,-0.3 6,-0.1 -0.419 42.3 -90.7 -87.4 163.4 57.0 20.4 -11.3 295 601 A E > - 0 0 65 1,-0.2 3,-3.0 4,-0.1 2,-0.2 -0.379 59.1 -80.4 -71.0 151.0 58.0 16.9 -12.4 296 602 A E T 3 S+ 0 0 157 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.350 124.9 15.9 -54.5 114.6 60.6 16.5 -15.0 297 603 A G T 3 S+ 0 0 37 1,-0.4 190,-1.9 -2,-0.2 -1,-0.3 0.517 113.5 93.9 95.9 6.2 58.7 17.1 -18.2 298 604 A W E < -J 486 0F 59 -3,-3.0 -1,-0.4 188,-0.3 2,-0.3 -0.775 57.8-148.0-123.9 168.8 55.7 18.7 -16.5 299 605 A L E -J 485 0F 25 186,-2.9 186,-2.2 -2,-0.3 2,-0.5 -0.914 17.9-115.6-135.7 161.4 54.7 22.3 -15.8 300 606 A L E -JK 484 518F 2 218,-3.0 218,-2.0 -2,-0.3 2,-0.6 -0.888 20.6-164.2-104.0 124.7 52.8 24.1 -13.0 301 607 A V E -JK 483 517F 0 182,-1.5 182,-3.1 -2,-0.5 2,-0.5 -0.940 9.8-168.7-108.3 115.7 49.6 25.8 -14.0 302 608 A A E -JK 482 516F 0 214,-2.6 214,-2.1 -2,-0.6 2,-0.4 -0.931 3.1-169.9-111.9 123.0 48.4 28.3 -11.2 303 609 A L E -JK 481 515F 0 178,-2.2 178,-3.0 -2,-0.5 2,-0.4 -0.922 5.1-175.6-112.9 134.4 45.0 29.8 -11.3 304 610 A D E -JK 480 514F 38 210,-2.3 210,-2.6 -2,-0.4 2,-0.6 -0.979 24.1-126.3-132.3 142.6 43.9 32.6 -9.0 305 611 A Y E > - 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0 0 2 -5,-0.8 4,-2.7 -6,-0.2 5,-0.3 -0.651 26.8-150.3 -78.5 109.5 24.7 47.5 -5.4 320 626 A E H > S+ 0 0 114 -2,-0.8 4,-2.6 1,-0.2 -1,-0.2 0.838 92.8 50.9 -45.9 -44.4 24.3 48.9 -8.9 321 627 A N H > S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.976 112.0 42.9 -62.6 -58.2 27.5 51.0 -8.6 322 628 A L H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.932 115.6 52.0 -52.4 -48.9 29.8 48.2 -7.4 323 629 A I H X S+ 0 0 25 -4,-2.7 4,-2.7 1,-0.2 3,-0.4 0.922 106.6 52.2 -54.3 -49.2 28.3 45.9 -10.0 324 630 A R H X S+ 0 0 164 -4,-2.6 4,-2.6 -5,-0.3 6,-0.3 0.887 101.6 61.5 -57.6 -40.2 28.8 48.3 -12.8 325 631 A V H <>S+ 0 0 5 -4,-2.1 5,-2.2 1,-0.2 4,-0.4 0.917 112.8 36.2 -52.9 -46.9 32.5 48.6 -11.9 326 632 A F H ><5S+ 0 0 7 -4,-1.4 3,-0.6 -3,-0.4 -1,-0.2 0.885 114.9 53.2 -75.9 -40.4 33.0 44.9 -12.6 327 633 A Q H 3<5S+ 0 0 119 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.830 113.4 46.2 -63.1 -30.6 30.6 44.6 -15.5 328 634 A E T 3<5S- 0 0 97 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.577 108.4-130.2 -85.6 -12.8 32.5 47.6 -17.1 329 635 A G T < 5 + 0 0 57 -3,-0.6 -3,-0.2 -4,-0.4 2,-0.2 0.787 54.1 151.5 67.9 27.9 35.9 45.9 -16.3 330 636 A R < - 0 0 102 -5,-2.2 2,-0.5 -6,-0.3 -1,-0.2 -0.513 58.5 -84.9 -89.6 159.1 37.2 49.1 -14.7 331 637 A D > - 0 0 77 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 -0.503 36.3-149.3 -67.0 114.5 39.7 49.3 -11.9 332 638 A I H > S+ 0 0 4 -2,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.895 93.0 46.3 -50.0 -52.9 37.8 48.9 -8.6 333 639 A H H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.884 112.2 51.1 -62.2 -40.1 40.1 51.0 -6.5 334 640 A T H > S+ 0 0 23 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.967 112.6 45.8 -60.9 -53.6 40.3 53.8 -9.0 335 641 A E H X S+ 0 0 15 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.897 110.1 54.6 -57.6 -42.5 36.5 54.0 -9.3 336 642 A T H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 -1,-0.2 0.956 111.7 44.1 -56.5 -51.4 36.1 53.8 -5.5 337 643 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.958 110.4 55.1 -56.1 -54.6 38.4 56.9 -5.2 338 644 A S H X>S+ 0 0 19 -4,-3.0 5,-2.0 1,-0.2 4,-0.6 0.879 114.1 41.9 -45.1 -47.5 36.7 58.7 -8.0 339 645 A W H ><5S+ 0 0 114 -4,-2.6 3,-1.5 3,-0.2 -2,-0.2 0.984 112.4 51.1 -65.7 -60.3 33.4 58.2 -6.2 340 646 A M H 3<5S+ 0 0 3 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.800 121.8 32.8 -48.0 -39.7 34.5 59.0 -2.7 341 647 A F H 3<5S- 0 0 54 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.391 104.7-123.0-102.4 2.3 36.2 62.3 -3.8 342 648 A G T <<5 + 0 0 66 -3,-1.5 -3,-0.2 -4,-0.6 -4,-0.1 0.919 66.7 131.6 56.7 48.0 33.8 63.2 -6.6 343 649 A V < - 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