==== 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 05-SEP-12 4B9M . COMPND 2 MOLECULE: DNA POLYMERASE I; . 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) . 27592.0 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 . 13 2.2 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 . 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 . 27 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 9.5 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 . 21 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 1 2 1 4 2 2 0 0 1 2 1 0 2 0 0 0 0 0 0 0 0 1 0 1 0 1 RESIDUES PER ALPHA HELIX . 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 2 1 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 0 141 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 8.0 10.6 -41.1 -50.3 2 298 A K - 0 0 79 1,-0.0 2,-0.1 0, 0.0 147,-0.0 -0.803 360.0-129.4 -97.9 115.6 11.4 -38.0 -52.4 3 299 A M - 0 0 33 -2,-0.6 2,-0.2 1,-0.1 150,-0.1 -0.333 30.5-110.5 -63.2 136.3 8.6 -35.3 -52.6 4 300 A A + 0 0 69 -2,-0.1 2,-0.3 148,-0.0 -1,-0.1 -0.473 52.2 143.6 -77.0 136.2 7.7 -34.3 -56.1 5 301 A F - 0 0 57 -2,-0.2 2,-0.6 41,-0.1 43,-0.2 -0.974 47.6-107.4-159.6 166.6 8.6 -30.8 -57.3 6 302 A T E -a 48 0A 76 41,-2.7 43,-2.4 -2,-0.3 2,-1.4 -0.882 18.7-149.6-102.5 121.2 9.8 -28.9 -60.4 7 303 A L E -a 49 0A 61 -2,-0.6 43,-0.1 41,-0.2 2,-0.1 -0.724 30.0-155.7 -88.7 89.4 13.4 -27.7 -60.3 8 304 A A E -a 50 0A 7 41,-1.6 43,-0.6 -2,-1.4 3,-0.1 -0.371 29.5-170.8 -72.1 143.1 12.7 -24.7 -62.4 9 305 A D S S+ 0 0 118 1,-0.2 2,-0.3 41,-0.1 -1,-0.1 0.315 81.7 29.1-110.1 3.5 15.4 -22.9 -64.5 10 306 A R S S- 0 0 163 48,-0.0 2,-0.3 45,-0.0 -1,-0.2 -0.976 87.8-103.3-153.8 157.1 13.0 -20.1 -65.2 11 307 A V - 0 0 15 -2,-0.3 2,-0.3 43,-0.1 49,-0.1 -0.683 36.2-167.5 -83.2 134.6 10.0 -18.4 -63.6 12 308 A T > - 0 0 34 -2,-0.3 3,-1.8 1,-0.1 4,-0.2 -0.856 33.2-112.0-121.4 157.5 6.6 -19.2 -64.9 13 309 A E G > S+ 0 0 157 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.808 112.8 64.9 -58.6 -33.5 3.2 -17.6 -64.3 14 310 A E G 3 S+ 0 0 93 1,-0.3 3,-0.5 2,-0.1 31,-0.3 0.680 94.9 61.7 -69.8 -10.5 1.8 -20.6 -62.4 15 311 A M G < S+ 0 0 3 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.523 95.2 64.4 -81.1 -7.2 4.5 -19.8 -59.8 16 312 A L < + 0 0 16 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.1 -0.219 69.4 150.1-117.2 39.4 2.9 -16.4 -59.2 17 313 A A - 0 0 14 -3,-0.5 -3,-0.0 2,-0.1 3,-0.0 -0.228 58.9-113.2 -64.7 159.8 -0.5 -17.5 -57.8 18 314 A D S S+ 0 0 107 1,-0.1 53,-2.2 52,-0.1 2,-0.3 0.334 103.2 45.2 -85.7 13.1 -2.2 -15.1 -55.5 19 315 A K E S+b 71 0A 69 51,-0.2 25,-0.5 2,-0.1 2,-0.3 -0.912 74.4 143.1-151.3 124.0 -1.8 -17.6 -52.5 20 316 A A E -bC 72 43A 0 51,-2.0 53,-2.5 -2,-0.3 2,-0.4 -0.995 49.6-119.5-160.2 148.8 1.4 -19.5 -51.8 21 317 A A E -bC 73 42A 0 21,-2.8 21,-2.3 -2,-0.3 2,-0.4 -0.847 41.3-164.9 -87.0 135.7 3.8 -20.9 -49.3 22 318 A L E - C 0 41A 1 51,-2.6 2,-0.4 -2,-0.4 53,-0.4 -0.977 16.4-170.2-131.9 132.0 7.2 -19.2 -49.8 23 319 A V E + C 0 40A 9 17,-2.4 17,-2.1 -2,-0.4 2,-0.4 -1.000 6.3 177.2-123.3 124.1 10.6 -20.1 -48.6 24 320 A V E - C 0 39A 9 -2,-0.4 2,-0.5 15,-0.2 15,-0.2 -0.920 28.7-146.2-125.4 96.4 13.5 -17.6 -49.1 25 321 A E E + C 0 38A 17 13,-2.1 12,-2.4 -2,-0.4 13,-0.7 -0.583 27.7 172.1 -88.9 120.8 16.3 -19.4 -47.4 26 322 A V - 0 0 6 -2,-0.5 10,-0.1 10,-0.2 5,-0.1 -0.982 4.6-179.4-121.0 117.5 19.1 -17.5 -45.6 27 323 A V + 0 0 13 -2,-0.5 -1,-0.1 8,-0.4 2,-0.1 0.787 51.3 97.4 -95.4 -34.2 21.3 -20.0 -43.7 28 324 A E S S- 0 0 118 7,-0.3 6,-0.1 1,-0.1 -2,-0.0 -0.399 76.6-132.7 -51.7 133.3 23.7 -17.6 -42.1 29 325 A E S S+ 0 0 114 1,-0.2 2,-0.9 -2,-0.1 -1,-0.1 0.929 100.8 55.6 -58.8 -51.7 22.5 -17.0 -38.5 30 326 A N S S- 0 0 35 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.770 75.1-169.0 -84.2 106.9 23.0 -13.2 -38.9 31 327 A Y > + 0 0 3 -2,-0.9 3,-1.5 -5,-0.1 2,-0.4 0.416 42.0 122.8 -80.9 4.0 20.9 -12.5 -42.0 32 328 A H T 3 S- 0 0 4 1,-0.3 51,-0.1 275,-0.1 -2,-0.1 -0.526 96.9 -14.5 -75.2 123.6 22.1 -8.9 -42.6 33 329 A D T 3 S+ 0 0 90 -2,-0.4 -1,-0.3 49,-0.2 -2,-0.1 0.793 107.3 149.1 54.4 33.4 23.5 -8.6 -46.1 34 330 A A < - 0 0 8 -3,-1.5 -1,-0.2 1,-0.1 -3,-0.1 -0.599 50.4 -92.7 -98.9 158.5 23.5 -12.4 -46.2 35 331 A P - 0 0 70 0, 0.0 2,-0.7 0, 0.0 -8,-0.4 -0.326 21.0-139.5 -70.7 146.3 23.1 -14.8 -49.1 36 332 A I - 0 0 12 -10,-0.1 -10,-0.2 1,-0.1 3,-0.1 -0.939 19.2-170.1 -96.4 112.0 19.8 -16.3 -50.2 37 333 A V - 0 0 34 -12,-2.4 2,-0.3 -2,-0.7 -11,-0.1 0.640 57.9 -20.2 -83.3 -14.0 20.8 -19.9 -51.0 38 334 A G E -C 25 0A 0 -13,-0.7 -13,-2.1 13,-0.1 2,-0.4 -0.954 53.1-131.6 177.1 163.0 17.5 -21.0 -52.6 39 335 A I E -CD 24 50A 0 11,-1.8 11,-2.6 -2,-0.3 2,-0.4 -0.991 14.1-172.1-134.6 138.7 13.8 -20.4 -53.1 40 336 A A E -CD 23 49A 0 -17,-2.1 -17,-2.4 -2,-0.4 2,-0.4 -0.992 1.2-170.3-130.5 142.1 10.8 -22.6 -52.9 41 337 A V E -CD 22 48A 0 7,-2.7 7,-3.3 -2,-0.4 2,-0.4 -0.998 2.4-175.6-128.7 131.2 7.2 -22.0 -53.8 42 338 A V E +CD 21 47A 4 -21,-2.3 -21,-2.8 -2,-0.4 2,-0.2 -1.000 23.1 141.1-122.6 127.7 4.2 -24.2 -53.1 43 339 A N E > -CD 20 46A 5 3,-2.4 3,-1.3 -2,-0.4 -23,-0.1 -0.826 67.6 -71.1-147.7-172.6 0.8 -23.2 -54.4 44 340 A E T 3 S+ 0 0 156 -25,-0.5 3,-0.1 1,-0.3 -24,-0.1 0.627 127.2 55.5 -63.6 -15.0 -2.4 -24.8 -55.9 45 341 A H T 3 S- 0 0 94 -31,-0.3 2,-0.3 1,-0.3 -1,-0.3 0.611 119.0 -86.3 -93.3 -17.0 -0.5 -25.4 -59.2 46 342 A G E < - D 0 43A 27 -3,-1.3 -3,-2.4 -32,-0.1 2,-0.4 -0.964 52.1 -48.7 149.6-158.5 2.4 -27.4 -57.6 47 343 A R E - D 0 42A 88 -2,-0.3 -41,-2.7 -5,-0.2 2,-0.4 -0.957 47.9-174.1-121.8 134.2 5.8 -27.3 -55.9 48 344 A F E -aD 6 41A 4 -7,-3.3 -7,-2.7 -2,-0.4 2,-0.4 -0.972 17.2-162.4-135.6 134.9 8.7 -25.3 -57.3 49 345 A F E -aD 7 40A 2 -43,-2.4 -41,-1.6 -2,-0.4 2,-0.4 -0.993 17.7-173.1-112.6 129.0 12.4 -24.7 -56.5 50 346 A L E -aD 8 39A 1 -11,-2.6 -11,-1.8 -2,-0.4 -41,-0.1 -0.974 25.4-125.2-120.0 134.3 14.0 -21.6 -58.0 51 347 A R > - 0 0 60 -43,-0.6 4,-2.7 -2,-0.4 3,-0.5 -0.597 25.0-130.4 -71.0 136.6 17.7 -20.6 -57.9 52 348 A P H > S+ 0 0 15 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.819 106.1 57.8 -59.9 -39.1 18.0 -17.1 -56.4 53 349 A E H 4 S+ 0 0 131 2,-0.2 4,-0.3 3,-0.1 -2,-0.0 0.853 115.2 40.4 -62.4 -29.6 20.2 -15.7 -59.2 54 350 A T H >4 S+ 0 0 41 -3,-0.5 3,-1.1 2,-0.1 4,-0.2 0.982 121.7 37.8 -76.4 -61.6 17.3 -16.7 -61.5 55 351 A A H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.3 7,-0.3 0.866 113.6 53.5 -63.2 -43.5 14.3 -15.7 -59.5 56 352 A L T 3< S+ 0 0 30 -4,-2.3 -1,-0.3 1,-0.3 -3,-0.1 0.590 109.0 50.1 -77.3 -8.2 15.7 -12.5 -58.0 57 353 A A T < S+ 0 0 82 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.284 88.2 102.1-102.0 4.9 16.6 -11.1 -61.4 58 354 A D <> - 0 0 32 -3,-1.7 4,-2.7 -4,-0.2 5,-0.3 -0.806 62.9-153.0 -95.1 113.4 13.1 -11.9 -62.8 59 355 A P H > S+ 0 0 88 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.857 96.4 48.8 -54.6 -37.9 10.9 -8.7 -63.0 60 356 A Q H > S+ 0 0 115 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.907 112.2 48.3 -68.7 -42.5 7.7 -10.7 -62.7 61 357 A F H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.958 113.4 46.8 -61.5 -50.1 9.0 -12.7 -59.7 62 358 A V H X S+ 0 0 43 -4,-2.7 4,-1.7 -7,-0.3 -2,-0.2 0.878 111.6 50.2 -59.1 -43.3 10.2 -9.5 -57.9 63 359 A A H X S+ 0 0 64 -4,-2.3 4,-0.6 -5,-0.3 -1,-0.2 0.913 109.4 53.0 -62.8 -42.0 6.9 -7.7 -58.6 64 360 A W H >< S+ 0 0 10 -4,-2.4 3,-1.1 1,-0.2 6,-0.2 0.928 107.3 51.3 -54.8 -45.7 5.1 -10.8 -57.2 65 361 A L H 3< S+ 0 0 0 -4,-2.5 27,-3.2 1,-0.3 -1,-0.2 0.867 114.9 43.6 -58.4 -39.7 7.2 -10.6 -54.0 66 362 A G H 3< S+ 0 0 32 -4,-1.7 2,-0.8 25,-0.2 -1,-0.3 0.380 87.2 102.4 -88.4 -2.7 6.3 -6.9 -53.7 67 363 A D X< - 0 0 52 -3,-1.1 3,-1.8 -4,-0.6 25,-0.1 -0.753 56.2-160.3 -89.8 111.3 2.5 -7.2 -54.5 68 364 A E T 3 S+ 0 0 112 -2,-0.8 -1,-0.2 1,-0.3 -4,-0.0 0.688 89.9 61.7 -61.2 -20.4 0.6 -7.0 -51.2 69 365 A T T 3 S+ 0 0 79 1,-0.1 2,-0.8 2,-0.1 -1,-0.3 0.554 85.9 81.0 -86.5 -10.6 -2.4 -8.6 -52.9 70 366 A K S < S- 0 0 53 -3,-1.8 2,-0.3 -6,-0.2 -51,-0.2 -0.868 83.8-143.4 -93.7 107.3 -0.4 -11.8 -53.6 71 367 A K E -b 19 0A 63 -53,-2.2 -51,-2.0 -2,-0.8 2,-0.4 -0.514 17.9-168.3 -85.0 136.2 -0.6 -13.6 -50.3 72 368 A K E -be 20 94A 0 21,-2.6 23,-1.9 -2,-0.3 24,-1.3 -0.927 14.1-154.6-124.9 142.1 2.3 -15.6 -48.9 73 369 A S E +be 21 96A 0 -53,-2.5 -51,-2.6 -2,-0.4 2,-0.3 -0.943 33.1 156.6-110.4 131.3 2.7 -18.0 -46.0 74 370 A M E - e 0 97A 3 22,-2.7 24,-3.0 -2,-0.5 2,-0.4 -0.844 43.0-116.2-143.7 175.1 6.2 -18.3 -44.5 75 371 A F S S- 0 0 35 -53,-0.4 5,-0.1 -2,-0.3 39,-0.1 -0.987 97.8 -6.4-122.1 118.6 8.3 -19.1 -41.6 76 372 A D S >> S- 0 0 32 -2,-0.4 4,-1.2 3,-0.1 3,-0.8 0.978 73.1-179.4 63.7 56.3 10.4 -16.3 -40.1 77 373 A S H 3> S+ 0 0 13 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.790 72.5 67.3 -61.1 -24.7 9.4 -13.8 -42.8 78 374 A K H 3> S+ 0 0 9 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.892 97.8 53.1 -64.9 -38.0 11.5 -11.0 -41.2 79 375 A R H <> S+ 0 0 52 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.930 114.2 42.0 -57.8 -48.1 14.7 -13.0 -42.0 80 376 A A H X S+ 0 0 3 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.930 114.6 51.2 -66.1 -50.9 13.6 -13.2 -45.6 81 377 A A H X S+ 0 0 18 -4,-3.4 4,-2.1 2,-0.2 -2,-0.2 0.932 112.9 44.4 -52.0 -52.5 12.4 -9.5 -45.7 82 378 A V H X S+ 0 0 0 -4,-3.0 4,-2.0 2,-0.2 -49,-0.2 0.949 112.2 51.1 -61.5 -48.1 15.6 -8.1 -44.3 83 379 A A H < S+ 0 0 1 -4,-2.2 4,-0.5 -5,-0.3 -1,-0.2 0.892 113.7 47.2 -58.9 -37.6 17.9 -10.3 -46.6 84 380 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 3,-1.2 0.866 104.4 59.5 -68.8 -36.2 15.8 -9.1 -49.5 85 381 A K H ><5S+ 0 0 29 -4,-2.1 3,-1.9 1,-0.3 -2,-0.2 0.904 101.4 56.0 -59.9 -39.3 16.0 -5.4 -48.3 86 382 A W T 3<5S+ 0 0 46 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.704 107.4 49.2 -66.5 -19.8 19.7 -5.6 -48.6 87 383 A K T < 5S- 0 0 108 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.257 122.0-107.3 -98.2 9.2 19.3 -6.7 -52.2 88 384 A G T < 5S+ 0 0 71 -3,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.798 79.6 127.7 74.4 26.4 16.9 -3.8 -52.9 89 385 A I < - 0 0 18 -5,-2.5 2,-0.4 -8,-0.1 -1,-0.2 -0.959 49.8-142.5-122.8 136.7 13.8 -6.0 -53.1 90 386 A E - 0 0 104 -2,-0.4 2,-0.5 -28,-0.1 -23,-0.1 -0.787 6.1-154.1 -98.5 134.9 10.6 -5.5 -51.1 91 387 A L + 0 0 18 -2,-0.4 2,-0.3 -10,-0.1 -25,-0.2 -0.946 26.7 162.4-107.0 123.1 8.6 -8.5 -49.7 92 388 A C + 0 0 38 -27,-3.2 -25,-0.2 -2,-0.5 3,-0.1 -0.868 42.1 47.4-133.8 166.8 4.9 -7.8 -49.2 93 389 A G + 0 0 9 -2,-0.3 -21,-2.6 1,-0.2 2,-0.9 0.702 56.3 159.8 77.9 22.9 1.7 -9.6 -48.6 94 390 A V E +e 72 0A 36 -23,-0.2 -1,-0.2 1,-0.2 -21,-0.2 -0.671 5.6 168.2 -75.5 107.5 2.9 -12.0 -45.9 95 391 A S E + 0 0 40 -23,-1.9 2,-0.3 -2,-0.9 -22,-0.2 0.559 61.9 32.3-103.9 -8.2 -0.4 -13.0 -44.4 96 392 A F E -e 73 0A 1 -24,-1.3 -22,-2.7 87,-0.1 2,-0.6 -0.940 55.9-172.1-152.8 123.3 0.8 -15.9 -42.2 97 393 A D E > -e 74 0A 2 -2,-0.3 4,-2.3 -24,-0.2 -22,-0.2 -0.962 8.9-162.6-118.1 108.2 4.1 -16.5 -40.4 98 394 A L H > S+ 0 0 0 -24,-3.0 4,-2.5 -2,-0.6 5,-0.2 0.800 88.2 58.8 -61.8 -33.9 4.3 -20.0 -39.0 99 395 A L H > S+ 0 0 20 -25,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.966 110.9 41.2 -57.9 -52.2 7.1 -19.0 -36.6 100 396 A L H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.842 113.3 54.4 -66.0 -36.0 5.0 -16.4 -34.9 101 397 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.941 111.4 44.5 -61.3 -47.0 1.9 -18.6 -35.0 102 398 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.921 111.5 54.5 -66.0 -41.8 3.8 -21.4 -33.1 103 399 A Y H < S+ 0 0 8 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.923 110.1 45.6 -57.0 -43.9 5.3 -18.8 -30.7 104 400 A L H < S+ 0 0 0 -4,-2.2 370,-0.4 1,-0.2 -1,-0.2 0.883 110.4 54.7 -69.0 -33.9 1.9 -17.5 -29.8 105 401 A L H < S- 0 0 2 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.862 136.6 -12.1 -70.1 -37.9 0.5 -21.0 -29.4 106 402 A D >< - 0 0 29 -4,-2.3 3,-1.6 -5,-0.1 5,-0.4 -0.520 56.6-172.9-165.6 97.6 3.2 -22.0 -26.9 107 403 A P G > S+ 0 0 9 0, 0.0 3,-0.7 0, 0.0 -3,-0.1 0.673 84.9 66.0 -63.8 -23.0 6.3 -19.9 -26.3 108 404 A A G 3 S+ 0 0 51 1,-0.2 -5,-0.1 208,-0.1 208,-0.1 0.649 82.1 77.1 -75.7 -12.9 7.9 -22.6 -24.1 109 405 A Q G < S- 0 0 114 -3,-1.6 -1,-0.2 -7,-0.2 3,-0.1 0.784 91.2-140.5 -68.0 -23.5 8.2 -25.1 -27.1 110 406 A G < - 0 0 51 -3,-0.7 2,-0.1 -4,-0.3 -2,-0.1 0.828 23.5-167.5 70.6 29.8 11.2 -23.1 -28.4 111 407 A V + 0 0 13 -5,-0.4 -1,-0.2 1,-0.2 3,-0.1 -0.323 24.0 155.0 -57.3 118.8 10.1 -23.5 -32.0 112 408 A D + 0 0 117 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.350 58.0 32.0-131.9 -3.6 13.0 -22.4 -34.1 113 409 A D S > S- 0 0 13 1,-0.1 4,-1.8 -14,-0.0 3,-0.3 -0.949 84.9-103.5-142.7 167.3 12.6 -24.3 -37.4 114 410 A V H > S+ 0 0 2 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.906 118.5 59.4 -53.9 -44.2 9.6 -25.5 -39.5 115 411 A A H > S+ 0 0 14 12,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.879 104.8 49.3 -54.1 -44.6 10.2 -29.1 -38.4 116 412 A A H > S+ 0 0 32 -3,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.910 114.2 45.2 -66.6 -41.0 9.7 -28.1 -34.7 117 413 A A H >< S+ 0 0 0 -4,-1.8 3,-0.9 1,-0.2 4,-0.5 0.954 111.9 52.4 -63.5 -48.6 6.4 -26.2 -35.6 118 414 A A H ><>S+ 0 0 0 -4,-3.3 5,-2.0 1,-0.2 3,-1.9 0.891 100.7 61.6 -55.1 -41.4 5.2 -29.1 -37.8 119 415 A K H ><5S+ 0 0 133 -4,-2.2 3,-2.2 1,-0.3 -1,-0.2 0.832 90.7 68.1 -56.9 -31.6 5.8 -31.6 -34.9 120 416 A M T <<5S+ 0 0 47 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.739 108.6 37.9 -61.9 -26.3 3.2 -29.7 -32.8 121 417 A K T < 5S- 0 0 58 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 -0.080 122.5-103.6-113.2 27.6 0.5 -30.9 -35.3 122 418 A Q T < 5S+ 0 0 160 -3,-2.2 2,-0.6 1,-0.2 -3,-0.2 0.806 75.7 140.4 57.3 33.8 2.0 -34.4 -35.8 123 419 A Y < + 0 0 52 -5,-2.0 -1,-0.2 -8,-0.1 -2,-0.2 -0.951 14.5 160.5-107.6 118.9 3.5 -33.5 -39.2 124 420 A E + 0 0 132 -2,-0.6 2,-0.6 -3,-0.1 -1,-0.1 0.202 36.0 111.0-127.3 17.4 6.9 -35.0 -39.6 125 421 A A S S+ 0 0 41 28,-0.1 2,-0.3 -7,-0.1 32,-0.1 -0.105 71.0 68.9 -85.7 38.9 7.5 -34.9 -43.5 126 422 A V S S- 0 0 13 -2,-0.6 24,-0.1 -11,-0.1 -3,-0.0 -0.980 78.8-125.5-152.5 140.0 10.2 -32.2 -43.1 127 423 A R - 0 0 118 -2,-0.3 -12,-0.4 23,-0.1 2,-0.2 -0.639 30.7-102.9 -86.1 148.9 13.8 -32.4 -41.6 128 424 A P >> - 0 0 60 0, 0.0 4,-1.1 0, 0.0 3,-1.0 -0.487 31.4-121.9 -58.4 141.9 15.1 -30.1 -38.9 129 425 A D H >> S+ 0 0 33 1,-0.3 4,-3.2 2,-0.2 3,-0.5 0.841 111.6 62.0 -56.5 -37.3 17.4 -27.5 -40.5 130 426 A E H 3> S+ 0 0 104 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.871 102.0 50.8 -60.2 -33.3 20.3 -28.7 -38.2 131 427 A A H <4 S+ 0 0 56 -3,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.777 116.5 40.2 -74.1 -27.6 20.1 -32.2 -39.8 132 428 A V H << S+ 0 0 14 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.887 126.7 31.0 -88.6 -43.5 20.3 -30.7 -43.3 133 429 A Y H < S- 0 0 4 -4,-3.2 7,-2.3 1,-0.2 -3,-0.2 0.559 100.2-135.8 -90.5 -14.2 22.9 -27.9 -42.7 134 430 A G < - 0 0 25 -4,-1.5 2,-0.3 -5,-0.4 -1,-0.2 -0.272 25.7 -81.8 81.1-174.5 25.0 -29.5 -40.0 135 431 A K S > S- 0 0 136 -4,-0.1 3,-1.5 4,-0.1 4,-0.1 -0.957 72.0 -24.1-135.6 148.0 26.1 -27.7 -36.8 136 432 A G G > S- 0 0 56 -2,-0.3 3,-1.5 1,-0.3 0, 0.0 -0.240 127.5 -3.9 57.8-132.9 29.0 -25.4 -35.8 137 433 A A G 3 S+ 0 0 115 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.791 134.1 60.8 -60.8 -30.7 32.1 -25.6 -37.9 138 434 A K G < S+ 0 0 183 -3,-1.5 -1,-0.2 2,-0.0 -2,-0.2 0.491 75.6 124.5 -75.6 0.0 30.6 -28.5 -39.9 139 435 A R < + 0 0 83 -3,-1.5 2,-0.3 -5,-0.2 -5,-0.2 -0.391 33.3 153.2 -68.9 126.2 27.7 -26.2 -41.0 140 436 A A - 0 0 61 -7,-2.3 -2,-0.0 -2,-0.1 -3,-0.0 -0.985 50.1-110.7-151.6 149.3 27.5 -26.2 -44.8 141 437 A V - 0 0 72 -2,-0.3 3,-0.1 1,-0.1 -8,-0.1 -0.743 46.0-132.5 -75.8 127.0 24.9 -25.6 -47.6 142 438 A P - 0 0 32 0, 0.0 -1,-0.1 0, 0.0 -9,-0.0 -0.236 33.3 -69.4 -77.8 173.6 24.4 -29.1 -49.2 143 439 A D >> - 0 0 133 1,-0.1 4,-2.7 4,-0.1 3,-0.5 -0.169 56.8 -98.5 -58.1 155.2 24.3 -29.9 -52.9 144 440 A E H 3> S+ 0 0 72 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.796 119.0 53.0 -55.1 -42.7 21.3 -28.6 -54.8 145 441 A P H 3> S+ 0 0 90 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.938 115.6 41.7 -62.2 -40.3 19.2 -31.8 -54.9 146 442 A V H <> S+ 0 0 65 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.931 118.9 46.3 -67.7 -47.1 19.4 -32.1 -51.1 147 443 A L H X S+ 0 0 11 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.930 112.1 51.0 -55.8 -48.0 18.9 -28.4 -50.6 148 444 A A H X S+ 0 0 0 -4,-3.4 4,-2.3 1,-0.2 -1,-0.2 0.892 109.4 48.4 -64.4 -43.9 16.0 -28.2 -53.1 149 445 A E H X S+ 0 0 56 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.904 110.1 52.9 -66.1 -41.2 14.1 -31.0 -51.5 150 446 A H H X S+ 0 0 6 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.948 110.3 46.3 -56.6 -51.3 14.5 -29.5 -48.1 151 447 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.885 112.9 49.3 -62.8 -40.0 13.2 -26.1 -49.1 152 448 A V H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.910 110.7 51.0 -66.5 -40.2 10.2 -27.7 -50.9 153 449 A R H X S+ 0 0 42 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.909 110.8 49.0 -62.2 -42.0 9.4 -29.9 -47.9 154 450 A K H X S+ 0 0 10 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.930 113.2 46.8 -58.8 -48.0 9.5 -26.8 -45.7 155 451 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.905 112.1 50.2 -62.9 -41.8 7.2 -24.9 -48.1 156 452 A A H X S+ 0 0 9 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.875 109.8 51.2 -65.6 -37.9 4.8 -27.9 -48.3 157 453 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.954 110.1 49.2 -63.8 -46.1 4.7 -28.1 -44.4 158 454 A I H X S+ 0 0 1 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.939 110.7 50.8 -56.5 -49.2 3.9 -24.4 -44.3 159 455 A W H < S+ 0 0 91 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.899 116.0 41.8 -53.5 -44.4 1.1 -24.9 -46.9 160 456 A A H < S+ 0 0 49 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.797 115.0 49.0 -72.9 -37.3 -0.4 -27.8 -44.9 161 457 A L H X S+ 0 0 4 -4,-2.5 4,-2.2 1,-0.2 5,-0.3 0.599 85.5 84.2 -86.5 -14.1 -0.0 -26.3 -41.4 162 458 A E H X S+ 0 0 24 -4,-1.5 4,-3.0 -5,-0.2 5,-0.3 0.942 91.4 49.4 -55.6 -48.3 -1.6 -22.8 -42.0 163 459 A R H > S+ 0 0 139 -4,-0.4 4,-2.5 1,-0.2 5,-0.2 0.953 112.8 43.6 -61.9 -55.7 -5.2 -24.0 -41.5 164 460 A P H > S+ 0 0 41 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.885 115.1 49.8 -60.9 -34.9 -4.7 -25.9 -38.2 165 461 A F H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.969 112.7 46.9 -65.2 -49.5 -2.5 -23.2 -36.7 166 462 A L H X S+ 0 0 29 -4,-3.0 4,-2.3 -5,-0.3 -1,-0.2 0.883 111.3 53.2 -58.7 -37.1 -5.1 -20.5 -37.6 167 463 A D H X S+ 0 0 63 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.919 111.4 43.7 -66.8 -42.1 -7.9 -22.7 -36.2 168 464 A E H X S+ 0 0 43 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.941 111.8 53.8 -69.6 -44.3 -6.2 -23.2 -32.9 169 465 A L H <>S+ 0 0 0 -4,-2.8 5,-3.1 1,-0.2 6,-0.6 0.917 110.3 48.8 -49.1 -48.0 -5.2 -19.5 -32.7 170 466 A R H ><5S+ 0 0 157 -4,-2.3 3,-1.5 4,-0.2 -1,-0.2 0.911 109.0 51.4 -61.6 -44.5 -8.9 -18.7 -33.3 171 467 A R H 3<5S+ 0 0 163 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.897 112.6 47.2 -60.8 -37.0 -10.0 -21.1 -30.5 172 468 A N T 3<5S- 0 0 23 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.462 115.1-117.7 -78.5 -1.8 -7.5 -19.4 -28.2 173 469 A E T < 5S+ 0 0 121 -3,-1.5 -3,-0.2 -4,-0.3 4,-0.2 0.834 85.9 115.0 57.8 39.2 -8.8 -15.9 -29.2 174 470 A Q >< + 0 0 0 -5,-3.1 4,-2.0 -6,-0.2 -4,-0.2 0.245 35.4 98.5-115.2 7.0 -5.3 -15.2 -30.6 175 471 A D H > S+ 0 0 43 -6,-0.6 4,-2.4 1,-0.2 5,-0.2 0.924 89.5 43.0 -66.7 -42.9 -6.1 -14.8 -34.3 176 472 A R H >>S+ 0 0 156 2,-0.2 4,-3.2 1,-0.2 5,-0.6 0.868 108.2 60.8 -65.2 -39.4 -6.1 -11.0 -34.1 177 473 A L H >>S+ 0 0 10 3,-0.2 5,-2.6 1,-0.2 4,-0.7 0.897 113.3 37.7 -55.8 -41.3 -3.0 -11.1 -31.9 178 474 A L H <>S+ 0 0 0 -4,-2.0 5,-2.5 3,-0.2 -2,-0.2 0.968 125.1 36.0 -70.0 -56.5 -1.2 -12.8 -34.8 179 475 A V H <5S+ 0 0 70 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.839 128.0 32.0 -73.4 -36.2 -2.7 -10.9 -37.7 180 476 A E H <5S+ 0 0 101 -4,-3.2 -1,-0.2 -5,-0.2 -3,-0.2 0.538 132.4 17.9-102.9 -9.5 -3.0 -7.5 -36.2 181 477 A L T X S+ 0 0 41 0, 0.0 4,-1.6 0, 0.0 3,-0.3 0.898 112.3 53.7 -63.6 -39.0 2.6 -6.1 -38.5 185 481 A L H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.822 99.1 62.6 -61.0 -36.5 5.3 -5.7 -35.9 186 482 A S H X S+ 0 0 4 -4,-1.6 4,-2.1 -3,-0.3 -1,-0.2 0.917 103.8 47.7 -59.1 -41.8 7.5 -8.0 -37.7 187 483 A S H X S+ 0 0 69 -4,-1.3 4,-2.0 -3,-0.3 -2,-0.2 0.910 112.5 50.1 -61.7 -42.5 7.6 -5.6 -40.8 188 484 A I H X S+ 0 0 8 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.939 110.9 48.3 -63.6 -45.6 8.3 -2.7 -38.4 189 485 A L H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.902 108.0 55.5 -61.9 -38.3 11.2 -4.6 -36.8 190 486 A A H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.915 109.1 47.0 -61.3 -43.1 12.5 -5.5 -40.2 191 487 A E H X S+ 0 0 82 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.897 111.9 51.2 -63.3 -41.9 12.7 -1.8 -41.1 192 488 A M H X S+ 0 0 5 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.921 111.7 46.0 -63.3 -44.4 14.3 -1.0 -37.8 193 489 A E H < S+ 0 0 0 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.902 113.4 49.5 -64.2 -44.8 17.0 -3.6 -38.2 194 490 A F H < S+ 0 0 78 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.922 110.4 49.8 -62.8 -46.7 17.7 -2.6 -41.8 195 491 A A H < S- 0 0 17 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.923 94.0-176.3 -57.1 -48.4 18.0 1.1 -40.9 196 492 A G < - 0 0 3 -4,-2.1 2,-0.4 -5,-0.2 111,-0.2 -0.035 28.6 -81.9 73.8-179.3 20.4 0.4 -38.1 197 493 A V E -F 306 0B 7 109,-2.1 109,-2.5 -4,-0.1 2,-0.2 -0.990 38.9-124.5-129.3 126.5 21.9 2.8 -35.6 198 494 A K E -FG 305 345B 53 147,-0.7 147,-2.2 -2,-0.4 2,-0.4 -0.494 24.8-155.0 -74.9 143.9 25.0 4.8 -36.5 199 495 A V E - G 0 344B 3 105,-2.4 2,-1.4 145,-0.2 145,-0.2 -0.963 19.2-135.9-125.3 135.0 28.0 4.6 -34.2 200 496 A D > - 0 0 52 143,-2.5 4,-1.9 -2,-0.4 3,-0.3 -0.722 28.4-179.6 -85.7 88.4 30.7 7.0 -33.6 201 497 A T H > S+ 0 0 18 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-4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.914 107.6 57.8 -56.3 -48.8 40.1 2.0 -20.4 212 508 A A H X S+ 0 0 27 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.903 110.1 44.2 -49.7 -47.1 43.1 -0.0 -21.6 213 509 A E H X S+ 0 0 145 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.895 113.2 49.5 -68.1 -43.2 45.4 2.3 -19.7 214 510 A Q H X S+ 0 0 76 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.807 110.5 52.8 -64.7 -30.5 43.3 2.3 -16.5 215 511 A L H X S+ 0 0 22 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.911 107.1 50.5 -69.2 -42.9 43.2 -1.5 -16.7 216 512 A R H X S+ 0 0 176 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.901 110.9 50.0 -63.9 -40.6 46.9 -1.8 -16.9 217 513 A T H X S+ 0 0 97 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.954 116.3 40.3 -60.7 -51.6 47.3 0.4 -13.9 218 514 A V H X S+ 0 0 9 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.923 112.4 55.9 -64.5 -43.9 44.8 -1.6 -11.8 219 515 A E H X S+ 0 0 53 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.900 109.7 46.4 -55.7 -44.8 46.1 -5.0 -13.1 220 516 A Q H X S+ 0 0 89 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.891 110.7 52.4 -64.6 -40.6 49.6 -4.1 -11.9 221 517 A R H X S+ 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2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.830 112.4 53.2 -65.5 -34.2 3.1 -1.3 -11.9 364 660 A R H X S+ 0 0 5 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.929 108.9 49.7 -65.4 -42.4 0.4 0.7 -13.8 365 661 A V H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.2 5,-0.2 0.921 109.1 52.7 -55.7 -46.5 -0.6 -2.6 -15.5 366 662 A L H X S+ 0 0 1 -4,-2.4 4,-2.9 1,-0.2 5,-0.4 0.919 107.5 51.4 -54.0 -47.5 -0.7 -4.2 -12.1 367 663 A A H X>S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 5,-0.6 0.878 113.2 46.2 -55.1 -45.2 -3.0 -1.5 -10.8 368 664 A H H <5S+ 0 0 26 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.916 117.6 39.6 -65.7 -49.2 -5.3 -2.0 -13.7 369 665 A I H <5S+ 0 0 40 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.917 123.2 39.5 -72.9 -39.9 -5.4 -5.8 -13.6 370 666 A A H <5S- 0 0 10 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.697 93.8-144.9 -75.4 -25.4 -5.6 -6.2 -9.8 371 667 A E T <5 + 0 0 99 -4,-1.2 2,-0.6 -5,-0.4 -3,-0.2 0.887 29.3 177.8 53.4 43.9 -7.9 -3.2 -9.4 372 668 A D >< - 0 0 5 -5,-0.6 4,-2.8 -6,-0.3 -1,-0.2 -0.703 24.2-148.7 -79.6 118.1 -6.2 -2.3 -6.2 373 669 A D H > S+ 0 0 129 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.875 94.1 47.1 -57.3 -42.6 -7.8 1.0 -5.0 374 670 A N H > S+ 0 0 41 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.949 115.3 43.8 -68.7 -47.5 -4.7 2.3 -3.3 375 671 A L H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.897 114.7 50.4 -66.5 -40.0 -2.3 1.5 -6.2 376 672 A M H X S+ 0 0 11 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.927 111.6 48.5 -64.3 -42.8 -4.9 2.9 -8.7 377 673 A E H X S+ 0 0 80 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.913 107.2 55.8 -62.1 -46.4 -5.3 6.1 -6.6 378 674 A A H <>S+ 0 0 2 -4,-2.5 5,-2.5 1,-0.2 -1,-0.2 0.920 112.7 41.1 -53.3 -45.6 -1.5 6.5 -6.4 379 675 A F H ><5S+ 0 0 4 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.848 109.1 58.8 -76.8 -30.4 -1.1 6.5 -10.2 380 676 A R H 3<5S+ 0 0 132 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.787 110.9 43.7 -63.5 -27.8 -4.2 8.7 -10.7 381 677 A R T 3<5S- 0 0 147 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.332 110.1-128.6 -91.6 4.3 -2.4 11.2 -8.6 382 678 A D T < 5 + 0 0 74 -3,-1.3 -3,-0.2 -5,-0.1 -4,-0.1 0.868 46.8 172.4 45.6 44.4 0.9 10.6 -10.5 383 679 A L < - 0 0 57 -5,-2.5 2,-0.6 -6,-0.2 -1,-0.1 -0.343 48.5 -93.3 -72.1 158.4 2.7 10.0 -7.2 384 680 A D > - 0 0 77 1,-0.2 4,-2.5 2,-0.0 5,-0.2 -0.669 43.0-150.2 -66.9 114.1 6.3 8.8 -6.9 385 681 A I H > S+ 0 0 5 -2,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.831 88.5 49.7 -69.6 -32.6 5.4 5.2 -6.5 386 682 A H H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.894 112.1 47.0 -74.7 -41.5 8.3 4.1 -4.4 387 683 A T H > S+ 0 0 21 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.943 113.8 49.2 -59.7 -47.7 7.9 7.0 -1.9 388 684 A K H X S+ 0 0 27 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.912 110.8 49.6 -61.2 -43.2 4.2 6.2 -1.7 389 685 A T H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.915 111.0 50.7 -61.4 -42.8 4.9 2.4 -1.2 390 686 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 6,-0.3 0.903 108.3 52.0 -59.4 -44.6 7.4 3.4 1.6 391 687 A M H X>S+ 0 0 47 -4,-2.6 5,-1.4 1,-0.2 4,-0.8 0.916 114.8 42.7 -57.9 -44.4 4.8 5.6 3.3 392 688 A D H <5S+ 0 0 23 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.916 116.1 45.4 -70.1 -46.5 2.3 2.8 3.3 393 689 A I H <5S+ 0 0 8 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.923 125.2 32.6 -65.8 -45.7 4.6 -0.0 4.3 394 690 A F H <5S- 0 0 62 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.503 102.8-130.6 -90.6 -4.7 6.3 2.0 7.1 395 691 A Q T <5 + 0 0 137 -4,-0.8 2,-0.3 -5,-0.3 -3,-0.2 0.922 61.6 130.0 56.1 47.2 3.1 4.0 8.0 396 692 A V < - 0 0 40 -5,-1.4 -1,-0.2 -6,-0.3 2,-0.1 -0.813 59.8-101.9-122.9 167.0 4.9 7.3 7.8 397 693 A S >> - 0 0 47 -2,-0.3 3,-1.4 -3,-0.1 4,-0.5 -0.370 43.0 -97.7 -78.7 170.3 4.3 10.7 6.2 398 694 A E G >4 S+ 0 0 135 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.851 123.0 50.4 -61.5 -41.5 6.2 11.8 3.1 399 695 A D G 34 S+ 0 0 140 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.570 105.1 59.6 -80.3 -5.7 8.8 13.8 4.9 400 696 A E G <4 S+ 0 0 110 -3,-1.4 2,-0.6 2,-0.1 -1,-0.2 0.492 78.0 108.1 -90.6 -4.3 9.5 10.9 7.2 401 697 A V << - 0 0 26 -3,-1.1 -10,-0.1 -4,-0.5 -14,-0.0 -0.619 59.1-158.0 -72.7 116.3 10.5 8.7 4.3 402 698 A T > - 0 0 70 -2,-0.6 4,-2.3 1,-0.1 5,-0.2 -0.530 29.5-106.0 -88.9 163.4 14.2 8.3 4.5 403 699 A P H > S+ 0 0 116 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.873 121.1 50.0 -58.0 -38.4 16.4 7.3 1.5 404 700 A N H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.897 108.1 52.6 -69.7 -38.8 16.9 3.8 2.8 405 701 A M H > S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.940 111.8 47.1 -57.3 -45.4 13.1 3.3 3.4 406 702 A R H X S+ 0 0 75 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.898 109.8 52.7 -63.4 -42.4 12.6 4.4 -0.2 407 703 A R H X S+ 0 0 117 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.888 111.0 47.6 -60.0 -41.5 15.3 2.1 -1.5 408 704 A Q H X S+ 0 0 28 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.885 111.3 49.2 -69.9 -40.5 13.7 -0.9 0.3 409 705 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.886 110.0 52.3 -59.7 -43.0 10.2 -0.1 -1.0 410 706 A K H X S+ 0 0 106 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.882 106.0 54.4 -62.7 -37.2 11.6 0.2 -4.5 411 707 A A H X S+ 0 0 17 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.864 108.7 48.6 -66.2 -36.5 13.2 -3.2 -4.1 412 708 A V H X S+ 0 0 5 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.936 111.0 50.3 -64.7 -46.5 9.8 -4.7 -3.2 413 709 A N H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.913 111.0 49.5 -59.9 -39.6 8.3 -3.0 -6.2 414 710 A F H X S+ 0 0 101 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.887 106.6 54.8 -64.2 -42.0 11.0 -4.4 -8.3 415 711 A G H <>S+ 0 0 10 -4,-2.1 5,-1.8 2,-0.2 4,-0.5 0.843 110.5 47.1 -62.1 -32.3 10.4 -7.9 -6.9 416 712 A I H ><5S+ 0 0 25 -4,-1.9 3,-0.9 3,-0.2 -2,-0.2 0.943 112.3 48.7 -71.7 -47.4 6.8 -7.6 -7.9 417 713 A V H 3<5S+ 0 0 9 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.858 122.7 33.8 -65.3 -32.8 7.6 -6.4 -11.5 418 714 A Y T 3<5S- 0 0 112 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.366 105.6-121.5-105.0 9.2 10.1 -9.1 -12.0 419 715 A G T < 5 + 0 0 11 -3,-0.9 -3,-0.2 -4,-0.5 2,-0.2 0.871 47.5 172.6 58.1 40.3 8.5 -12.0 -10.1 420 716 A I < - 0 0 44 -5,-1.8 -1,-0.2 -6,-0.2 -2,-0.0 -0.517 30.1-114.2 -82.6 151.9 11.4 -12.6 -7.7 421 717 A S > - 0 0 26 -2,-0.2 4,-2.6 1,-0.1 5,-0.1 -0.188 28.4-105.8 -71.0 168.8 11.2 -14.9 -4.6 422 718 A D H > S+ 0 0 49 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.853 127.6 55.3 -62.3 -35.0 11.4 -13.8 -1.0 423 719 A Y H > S+ 0 0 115 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.946 107.4 48.4 -57.7 -50.4 14.9 -15.4 -1.1 424 720 A G H > S+ 0 0 8 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.926 112.0 48.1 -55.4 -48.5 15.6 -13.1 -4.1 425 721 A L H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.921 110.6 52.5 -60.4 -47.7 14.3 -10.1 -2.2 426 722 A A H X>S+ 0 0 9 -4,-2.8 5,-1.8 2,-0.2 4,-0.5 0.885 111.6 45.7 -46.9 -49.4 16.4 -11.1 0.8 427 723 A Q H ><5S+ 0 0 135 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.925 113.2 50.5 -65.2 -45.4 19.5 -11.3 -1.4 428 724 A N H 3<5S+ 0 0 83 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.872 119.0 35.8 -62.0 -35.4 18.7 -8.0 -3.1 429 725 A L H 3<5S- 0 0 8 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.347 104.2-124.5-101.3 4.3 18.2 -6.2 0.3 430 726 A N T <<5S+ 0 0 117 -3,-0.8 2,-0.2 -4,-0.5 -3,-0.2 0.874 72.9 118.7 49.0 42.5 20.9 -8.0 2.2 431 727 A I < - 0 0 40 -5,-1.8 -1,-0.2 -6,-0.2 2,-0.2 -0.651 69.8 -78.2-122.1 179.7 18.4 -9.1 4.8 432 728 A S > - 0 0 52 -2,-0.2 4,-2.5 1,-0.1 3,-0.2 -0.477 34.8-115.4 -81.8 151.6 17.1 -12.4 6.0 433 729 A R H > S+ 0 0 135 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.897 117.9 53.3 -43.9 -46.2 14.5 -14.6 4.2 434 730 A K H > S+ 0 0 142 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.871 108.3 46.3 -64.1 -42.5 12.2 -14.0 7.2 435 731 A E H > S+ 0 0 92 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.870 110.3 54.5 -70.8 -37.3 12.4 -10.2 7.2 436 732 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.923 106.6 52.2 -57.9 -44.3 11.9 -10.3 3.4 437 733 A A H X S+ 0 0 44 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.875 108.1 51.3 -60.1 -39.8 8.7 -12.3 4.1 438 734 A E H X S+ 0 0 119 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.860 107.8 52.2 -66.6 -38.3 7.5 -9.6 6.6 439 735 A F H X S+ 0 0 29 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.934 110.4 47.6 -60.0 -46.9 8.1 -6.8 4.1 440 736 A I H X S+ 0 0 49 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.889 110.9 52.6 -63.0 -38.1 6.0 -8.6 1.5 441 737 A E H X S+ 0 0 105 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.881 107.9 50.4 -65.8 -40.0 3.4 -9.2 4.1 442 738 A R H X S+ 0 0 67 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.881 107.6 55.0 -66.5 -39.1 3.3 -5.5 4.9 443 739 A Y H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 3,-0.3 0.904 105.2 51.3 -55.6 -47.8 3.0 -4.7 1.3 444 740 A F H 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S+ 0 0 26 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.927 113.0 44.0 -62.7 -45.1 -1.8 -12.9 -6.8 455 751 A E H X S+ 0 0 106 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.923 116.6 46.9 -64.7 -44.4 -4.0 -15.5 -5.1 456 752 A N H X S+ 0 0 77 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.929 110.2 51.3 -66.3 -43.9 -6.5 -15.4 -7.9 457 753 A I H X S+ 0 0 15 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.898 109.5 50.0 -64.8 -38.9 -4.0 -15.6 -10.8 458 754 A V H X S+ 0 0 18 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.927 111.5 48.8 -62.3 -48.1 -2.3 -18.7 -9.2 459 755 A Q H X S+ 0 0 131 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.919 111.9 50.3 -57.5 -38.9 -5.7 -20.4 -8.8 460 756 A E H X>S+ 0 0 68 -4,-2.6 4,-3.0 1,-0.2 5,-0.5 0.915 108.6 50.5 -66.7 -42.6 -6.5 -19.6 -12.4 461 757 A A H X5S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 16,-0.2 0.875 112.0 48.9 -59.6 -38.6 -3.2 -20.9 -13.6 462 758 A K H <5S+ 0 0 94 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.918 117.2 40.9 -66.1 -44.4 -3.9 -24.1 -11.7 463 759 A Q H <5S+ 0 0 135 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.931 127.3 28.3 -71.1 -50.3 -7.4 -24.4 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