==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 20-APR-07 2PM7 . COMPND 2 MOLECULE: PROTEIN TRANSPORT PROTEIN SEC31; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR J.GOLDBERG,S.FATH,J.D.MANCIAS,X.BI . 1259 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58458.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 853 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 261 20.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 18 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 2 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 . 71 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 368 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.4 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 0 0 2 0 3 7 9 5 0 0 3 3 3 1 0 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 2 6 8 18 5 3 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 . 0 0 14 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 1 373 A A 0 0 140 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.2 59.5 29.8 -11.0 2 374 A P - 0 0 86 0, 0.0 2,-0.4 0, 0.0 561,-0.0 -0.699 360.0-167.3 -92.1 143.5 57.5 33.1 -11.1 3 375 A T - 0 0 62 -2,-0.3 4,-0.1 1,-0.1 3,-0.0 -0.987 24.6-135.7-133.5 145.2 55.6 34.3 -14.1 4 376 A W S S+ 0 0 107 -2,-0.4 2,-0.3 1,-0.1 3,-0.1 0.900 78.7 7.4 -61.6 -45.5 54.1 37.6 -15.1 5 377 A Y S S+ 0 0 74 1,-0.1 -1,-0.1 417,-0.0 399,-0.0 -0.871 97.9 41.9-141.3 172.0 50.8 36.3 -16.5 6 378 A G + 0 0 34 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.679 64.5 155.6 71.5 20.8 48.3 33.5 -17.2 7 379 A E - 0 0 83 -4,-0.1 -1,-0.2 -3,-0.1 2,-0.2 -0.425 47.9-102.7 -78.6 153.9 48.6 31.8 -13.8 8 380 A P + 0 0 51 0, 0.0 604,-0.2 0, 0.0 -1,-0.1 -0.504 52.6 153.0 -74.7 145.7 45.7 29.7 -12.5 9 381 A S - 0 0 20 350,-0.3 601,-0.1 -2,-0.2 584,-0.0 -0.870 53.0-128.1-175.7 141.0 43.4 31.2 -9.8 10 382 A P - 0 0 0 0, 0.0 13,-0.9 0, 0.0 -1,-0.1 0.771 36.3-159.7 -60.5 -29.3 39.9 31.1 -8.3 11 383 A A - 0 0 2 11,-0.2 351,-0.4 598,-0.2 585,-0.1 0.883 18.1-159.4 47.1 48.6 39.7 34.9 -8.7 12 384 A A + 0 0 2 583,-0.1 2,-0.3 11,-0.1 10,-0.2 -0.158 18.6 176.5 -61.5 150.2 36.9 35.1 -6.1 13 385 A H E -A 21 0A 37 8,-1.7 8,-2.2 584,-0.1 2,-0.3 -0.975 28.2-122.5-147.8 148.2 34.5 38.1 -5.8 14 386 A W E -A 20 0A 32 -2,-0.3 2,-0.4 584,-0.3 6,-0.2 -0.752 28.5-160.3 -93.4 146.1 31.5 38.7 -3.6 15 387 A A E >> -A 19 0A 10 4,-3.4 4,-3.1 -2,-0.3 3,-0.5 -0.973 32.2 -80.7-130.2 143.9 28.3 39.4 -5.3 16 388 A F T 34 S+ 0 0 9 -2,-0.4 3,-0.1 349,-0.4 -1,-0.1 0.086 114.2 42.4 -36.2 145.5 25.1 41.1 -4.0 17 389 A G T 34 S- 0 0 3 1,-0.2 -1,-0.2 -3,-0.0 297,-0.1 0.541 133.2 -71.9 87.9 7.0 22.9 38.7 -2.0 18 390 A G T <4 S+ 0 0 23 -3,-0.5 2,-0.3 1,-0.2 -2,-0.2 0.865 87.3 157.4 74.7 37.7 25.8 37.2 -0.2 19 391 A K E < -A 15 0A 25 -4,-3.1 -4,-3.4 15,-0.2 2,-0.6 -0.759 33.5-151.8-101.2 143.4 27.1 35.3 -3.2 20 392 A L E -AB 14 33A 8 13,-3.4 13,-1.7 -2,-0.3 2,-0.4 -0.924 11.6-165.7-116.8 106.1 30.6 34.1 -3.7 21 393 A V E +AB 13 32A 1 -8,-2.2 -8,-1.7 -2,-0.6 2,-0.3 -0.747 21.5 149.7 -92.9 135.1 31.7 33.7 -7.4 22 394 A Q E - B 0 31A 45 9,-1.4 9,-2.8 -2,-0.4 2,-0.4 -0.914 41.7-102.2-152.8 177.6 34.9 31.8 -8.2 23 395 A I E - B 0 30A 2 -13,-0.9 7,-0.2 -2,-0.3 -11,-0.1 -0.903 35.9-118.0-112.3 138.6 36.6 29.6 -10.8 24 396 A T > - 0 0 23 5,-2.5 3,-3.2 -2,-0.4 5,-0.3 -0.319 32.1-100.8 -74.4 155.5 36.9 25.8 -10.6 25 397 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 588,-0.0 0.581 119.8 64.6 -49.2 -14.8 40.2 23.9 -10.4 26 398 A D T 3 S- 0 0 83 3,-0.0 332,-0.1 -18,-0.0 -2,-0.0 0.572 102.3-131.6 -88.2 -9.9 40.0 23.1 -14.1 27 399 A G S < S+ 0 0 11 -3,-3.2 332,-3.9 2,-0.2 330,-0.0 0.458 92.5 78.5 74.9 0.2 40.3 26.8 -15.0 28 400 A K S S+ 0 0 80 330,-0.2 326,-2.9 -4,-0.1 327,-0.8 0.394 78.3 75.8-120.7 2.6 37.3 26.5 -17.3 29 401 A G - 0 0 0 -5,-0.3 -5,-2.5 324,-0.2 2,-0.4 -0.882 58.7-148.7-121.7 151.9 34.4 26.6 -14.9 30 402 A V E -BC 23 351A 0 321,-0.8 321,-2.2 -2,-0.3 2,-0.4 -0.900 11.4-163.4-113.9 142.2 32.6 29.2 -12.9 31 403 A S E -BC 22 350A 17 -9,-2.8 -9,-1.4 -2,-0.4 2,-0.6 -0.946 5.3-170.1-134.7 116.3 30.9 28.5 -9.5 32 404 A I E +B 21 0A 11 317,-1.6 2,-0.2 -2,-0.4 -11,-0.2 -0.898 25.4 150.0-106.0 115.9 28.3 30.8 -7.8 33 405 A T E -B 20 0A 50 -13,-1.7 -13,-3.4 -2,-0.6 -2,-0.0 -0.813 47.8-115.3-136.8 177.0 27.4 29.9 -4.2 34 406 A N - 0 0 99 -2,-0.2 -15,-0.2 -15,-0.2 3,-0.1 -0.826 36.9-141.1-119.0 90.8 26.3 31.3 -0.8 35 407 A P - 0 0 28 0, 0.0 2,-1.1 0, 0.0 0, 0.0 -0.026 20.0-110.5 -49.2 147.4 29.1 30.7 1.8 36 408 A K - 0 0 149 1,-0.0 2,-1.1 5,-0.0 5,-0.1 -0.729 34.2-168.2 -85.4 100.6 28.2 29.8 5.3 37 409 A I > - 0 0 23 -2,-1.1 3,-3.0 3,-0.4 591,-0.0 -0.767 20.0-134.0 -95.5 95.4 29.0 32.9 7.3 38 410 A S T 3 S+ 0 0 57 590,-1.3 3,-0.1 -2,-1.1 -2,-0.0 -0.144 92.1 24.8 -46.4 135.0 28.9 31.8 10.9 39 411 A G T 3 S+ 0 0 80 1,-0.1 2,-0.7 233,-0.0 -1,-0.3 0.144 107.1 89.8 92.0 -20.5 27.0 34.4 13.0 40 412 A L < + 0 0 37 -3,-3.0 -3,-0.4 274,-0.0 2,-0.3 -0.905 51.9 154.5-115.2 104.1 25.1 35.5 9.9 41 413 A E - 0 0 144 -2,-0.7 2,-0.1 -5,-0.1 274,-0.1 -0.881 48.5 -96.9-125.0 156.6 21.9 33.5 9.3 42 414 A S - 0 0 51 -2,-0.3 2,-1.5 273,-0.2 270,-0.1 -0.484 38.8-116.5 -72.1 144.8 18.7 34.5 7.5 43 415 A N > + 0 0 37 1,-0.2 4,-1.1 -2,-0.1 -1,-0.1 -0.629 47.6 160.4 -86.0 84.9 16.0 35.8 9.8 44 416 A T H >> + 0 0 91 -2,-1.5 4,-2.5 2,-0.2 3,-1.5 0.993 67.9 56.5 -66.2 -64.4 13.3 33.1 9.4 45 417 A T H 3> S+ 0 0 36 1,-0.3 4,-3.0 2,-0.2 5,-0.4 0.842 108.3 48.2 -33.2 -57.5 11.3 33.7 12.5 46 418 A L H 3> S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.846 113.4 48.6 -57.5 -36.1 10.7 37.4 11.6 47 419 A S H << S+ 0 0 30 -3,-1.5 4,-0.5 -4,-1.1 -2,-0.2 0.888 115.0 43.8 -71.6 -39.8 9.7 36.3 8.1 48 420 A E H X S+ 0 0 103 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.822 117.6 43.9 -75.0 -34.3 7.3 33.7 9.3 49 421 A A H X S+ 0 0 4 -4,-3.0 4,-1.7 -5,-0.3 -2,-0.2 0.797 107.5 60.2 -80.0 -28.8 5.8 35.8 12.0 50 422 A L H < S+ 0 0 44 -4,-1.5 -1,-0.2 -5,-0.4 -2,-0.2 0.699 118.0 32.0 -70.2 -18.0 5.6 38.8 9.6 51 423 A K H 4 S+ 0 0 143 -4,-0.5 -2,-0.2 -3,-0.1 -3,-0.1 0.829 128.2 35.6-101.9 -53.7 3.3 36.5 7.5 52 424 A T H < S- 0 0 79 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.692 96.2-143.7 -73.9 -18.3 1.5 34.4 10.1 53 425 A K < + 0 0 136 -4,-1.7 2,-0.6 -5,-0.3 -3,-0.2 0.804 56.8 130.3 56.2 34.7 1.5 37.5 12.3 54 426 A D + 0 0 74 -6,-0.2 4,-0.4 1,-0.1 -1,-0.2 -0.902 30.2 177.2-116.8 96.5 2.0 35.4 15.5 55 427 A F > + 0 0 6 -2,-0.6 4,-3.1 1,-0.2 5,-0.4 0.258 48.8 111.1 -86.0 14.1 4.9 37.0 17.3 56 428 A K H > S+ 0 0 96 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.929 85.3 36.9 -51.6 -50.6 4.6 34.5 20.1 57 429 A P H > S+ 0 0 66 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.950 116.8 50.3 -68.4 -51.1 7.9 32.8 19.2 58 430 A L H > S+ 0 0 1 -4,-0.4 4,-1.9 1,-0.2 5,-0.2 0.910 113.4 46.5 -54.0 -47.0 9.7 36.0 18.1 59 431 A I H X S+ 0 0 2 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.932 112.7 52.2 -60.3 -45.4 8.8 37.7 21.4 60 432 A N H X S+ 0 0 83 -4,-1.8 4,-2.6 -5,-0.4 -2,-0.2 0.895 106.2 52.3 -58.0 -47.1 9.8 34.5 23.2 61 433 A Q H X S+ 0 0 101 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.958 112.6 43.3 -55.9 -56.8 13.3 34.3 21.6 62 434 A R H < S+ 0 0 31 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.929 113.0 53.2 -54.4 -49.7 14.2 37.9 22.6 63 435 A L H >< S+ 0 0 29 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.923 110.2 47.9 -52.2 -49.5 12.8 37.5 26.0 64 436 A V H 3< S+ 0 0 103 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.908 122.7 33.2 -59.7 -45.6 14.9 34.4 26.6 65 437 A K T 3< S+ 0 0 181 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 -0.268 89.5 152.1-107.4 45.2 18.1 36.0 25.3 66 438 A V < - 0 0 32 -3,-1.2 -3,-0.1 1,-0.1 3,-0.1 -0.422 31.7-149.2 -77.0 151.2 17.3 39.6 26.6 67 439 A I + 0 0 52 1,-0.1 -1,-0.1 -2,-0.1 5,-0.1 0.626 59.3 9.7 -88.1-120.4 20.1 42.0 27.5 68 440 A D S > S- 0 0 25 191,-0.1 4,-1.3 1,-0.1 -1,-0.1 -0.003 80.7-101.1 -58.9 168.0 19.9 44.8 30.1 69 441 A D H > S+ 0 0 132 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.862 118.1 52.8 -58.6 -43.5 17.0 45.0 32.6 70 442 A V H >> S+ 0 0 56 1,-0.2 4,-1.7 2,-0.2 3,-0.9 0.950 105.7 52.9 -59.5 -52.5 15.1 47.8 30.8 71 443 A N H 3> S+ 0 0 3 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.848 103.8 59.2 -52.4 -37.5 15.1 46.0 27.5 72 444 A E H 3X S+ 0 0 84 -4,-1.3 4,-2.1 1,-0.2 -1,-0.3 0.868 102.0 53.0 -61.5 -38.0 13.5 43.0 29.3 73 445 A E H S+ 0 0 107 -4,-2.6 4,-1.8 2,-0.2 5,-0.7 0.905 114.1 60.6 -75.1 -42.7 1.6 40.0 27.5 81 453 A L H X5S+ 0 0 0 -4,-1.3 4,-0.5 -5,-0.5 -1,-0.2 0.788 103.8 55.6 -53.9 -25.5 0.5 42.5 25.0 82 454 A S H <5S+ 0 0 23 -4,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.912 115.7 33.5 -73.3 -44.7 0.6 39.5 22.7 83 455 A X H <5S+ 0 0 105 -4,-1.1 -2,-0.2 -3,-0.4 -3,-0.1 0.991 127.4 32.5 -74.2 -68.3 -1.7 37.4 24.8 84 456 A D H <5S- 0 0 80 -4,-1.8 4,-0.5 1,-0.1 -3,-0.2 0.740 105.2-133.5 -64.7 -27.5 -4.2 39.8 26.3 85 457 A G X< - 0 0 21 -5,-0.7 4,-1.6 -4,-0.5 -3,-0.1 -0.005 26.0 -71.6 91.0 160.8 -4.2 42.2 23.4 86 458 A T H > S+ 0 0 51 2,-0.2 4,-2.6 1,-0.2 3,-0.3 0.950 126.5 46.2 -55.5 -60.9 -4.0 46.0 23.1 87 459 A E H > S+ 0 0 127 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.912 117.4 43.7 -50.9 -51.2 -7.5 46.9 24.5 88 460 A E H > S+ 0 0 95 -4,-0.5 4,-1.8 1,-0.2 -1,-0.3 0.773 112.2 56.7 -67.3 -25.9 -7.3 44.6 27.4 89 461 A F H X S+ 0 0 20 -4,-1.6 4,-1.7 -3,-0.3 -2,-0.2 0.976 105.6 46.3 -68.9 -57.2 -3.7 45.7 28.0 90 462 A L H X S+ 0 0 27 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.758 111.8 55.8 -57.7 -26.7 -4.4 49.4 28.4 91 463 A K H >X S+ 0 0 116 -4,-1.2 3,-1.4 -5,-0.3 4,-0.6 0.995 108.3 43.3 -66.7 -66.2 -7.3 48.5 30.7 92 464 A E H 3< S+ 0 0 137 -4,-1.8 -2,-0.2 1,-0.3 3,-0.2 0.742 119.0 47.4 -51.5 -27.2 -5.3 46.5 33.2 93 465 A A H 3< S+ 0 0 24 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.646 113.7 43.8 -93.0 -17.2 -2.5 49.2 33.0 94 466 A L H << S+ 0 0 17 -3,-1.4 -2,-0.2 -4,-1.1 -1,-0.2 0.214 97.1 93.5-110.9 13.0 -4.7 52.3 33.4 95 467 A A S < S- 0 0 38 -4,-0.6 2,-0.1 -3,-0.2 103,-0.1 -0.264 72.6-108.8 -93.3-175.4 -6.9 50.9 36.2 96 468 A F 0 0 71 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 -0.409 360.0 360.0-107.6-174.8 -6.5 51.3 40.0 97 469 A D 0 0 195 -2,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.353 360.0 360.0 -57.3 360.0 -5.6 49.0 42.9 98 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 99 495 A E 0 0 212 0, 0.0 697,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 119.0 -26.1 60.6 58.7 100 496 A T + 0 0 77 696,-0.1 2,-0.5 695,-0.1 693,-0.1 -0.349 360.0 69.1-107.7-172.9 -29.5 62.1 58.0 101 497 A N - 0 0 107 1,-0.1 695,-0.1 -2,-0.1 694,-0.1 -0.910 45.8-174.1 108.7-118.9 -32.6 62.9 60.1 102 498 A F - 0 0 23 -2,-0.5 -1,-0.1 694,-0.1 694,-0.1 0.674 11.9-150.9 85.5 118.1 -32.5 65.8 62.6 103 499 A Q - 0 0 158 693,-0.1 -1,-0.1 2,-0.0 2,-0.0 -0.970 18.3-129.4-121.1 114.6 -35.3 66.7 65.1 104 500 A P - 0 0 29 0, 0.0 2,-0.3 0, 0.0 696,-0.1 -0.356 30.9-166.2 -62.6 141.8 -35.6 70.3 66.1 105 501 A E - 0 0 159 1,-0.1 717,-0.0 2,-0.1 713,-0.0 -0.990 30.5 -27.7-138.2 143.4 -35.8 70.8 69.9 106 502 A G S S- 0 0 40 -2,-0.3 -1,-0.1 2,-0.0 715,-0.0 0.255 90.6 -27.3 51.7-174.6 -36.8 73.5 72.4 107 503 A D + 0 0 131 716,-0.1 2,-0.3 714,-0.0 716,-0.2 -0.308 61.2 159.2 -70.3 152.0 -36.7 77.2 72.2 108 504 A F B -d 823 0B 22 714,-1.4 716,-1.6 -2,-0.0 2,-0.3 -0.924 16.3-157.5-158.7 175.9 -34.3 79.1 70.0 109 505 A S - 0 0 47 -2,-0.3 2,-1.2 714,-0.2 694,-0.2 -0.983 31.7 -96.4-164.9 154.8 -34.0 82.5 68.4 110 506 A L - 0 0 11 -2,-0.3 2,-0.5 714,-0.1 6,-0.0 -0.638 45.2-170.8 -77.2 99.2 -32.5 84.6 65.6 111 507 A S + 0 0 81 -2,-1.2 4,-0.4 4,-0.0 693,-0.1 -0.817 47.2 19.5 -96.7 126.7 -29.5 86.2 67.3 112 508 A G S > S- 0 0 41 -2,-0.5 4,-1.5 2,-0.1 5,-0.1 0.002 83.1 -94.5 99.6 153.6 -27.6 88.8 65.4 113 509 A N H > S+ 0 0 129 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.825 118.3 59.9 -72.5 -33.3 -28.4 91.1 62.4 114 510 A I H > S+ 0 0 70 2,-0.2 4,-2.5 3,-0.2 5,-0.2 0.975 108.2 41.1 -59.5 -60.0 -26.9 88.7 59.9 115 511 A E H > S+ 0 0 24 -4,-0.4 4,-3.5 1,-0.2 5,-0.2 0.973 116.0 50.0 -51.9 -61.8 -29.2 85.7 60.7 116 512 A Q H X S+ 0 0 63 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.851 110.6 50.4 -46.3 -44.4 -32.3 87.9 61.0 117 513 A T H X S+ 0 0 56 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.974 115.3 41.3 -61.0 -54.9 -31.5 89.6 57.6 118 514 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.912 113.5 54.1 -58.8 -46.3 -31.0 86.3 55.8 119 515 A S H X S+ 0 0 0 -4,-3.5 4,-1.9 -5,-0.2 5,-0.3 0.949 108.3 49.1 -52.9 -53.7 -34.0 84.7 57.5 120 516 A K H X S+ 0 0 54 -4,-2.5 4,-2.6 -5,-0.2 6,-0.2 0.897 108.4 54.3 -54.8 -42.7 -36.3 87.5 56.5 121 517 A N H <>S+ 0 0 26 -4,-2.0 5,-3.1 -5,-0.2 -1,-0.2 0.915 106.8 52.7 -58.3 -44.3 -35.0 87.2 52.9 122 518 A L H ><5S+ 0 0 7 -4,-2.3 3,-1.5 3,-0.2 5,-0.3 0.983 113.0 40.2 -55.1 -65.5 -35.9 83.5 52.9 123 519 A V H 3<5S+ 0 0 12 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.877 105.3 64.9 -53.0 -43.4 -39.5 83.8 54.0 124 520 A S T 3<5S- 0 0 60 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.276 118.3-116.8 -65.4 18.3 -40.0 86.9 51.8 125 521 A G T < 5S+ 0 0 51 -3,-1.5 3,-0.2 1,-0.2 -3,-0.2 0.791 76.3 136.5 49.0 31.9 -39.5 84.3 49.1 126 522 A N >>< + 0 0 51 -5,-3.1 4,-1.6 -6,-0.2 3,-1.0 -0.279 14.2 156.6-104.2 47.8 -36.4 86.3 48.2 127 523 A I H 3> + 0 0 56 -5,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.784 67.4 62.6 -39.3 -41.4 -34.0 83.4 47.8 128 524 A K H 3> S+ 0 0 156 1,-0.2 4,-1.0 -3,-0.2 3,-0.4 0.937 107.6 38.9 -55.7 -52.1 -31.7 85.4 45.5 129 525 A S H <> S+ 0 0 28 -3,-1.0 4,-2.5 1,-0.2 5,-0.2 0.780 105.1 68.8 -71.5 -26.9 -30.8 88.1 48.1 130 526 A A H X S+ 0 0 0 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.895 100.4 49.0 -57.4 -41.2 -30.5 85.5 50.8 131 527 A V H X S+ 0 0 8 -4,-1.4 4,-2.6 -3,-0.4 -1,-0.2 0.878 108.8 52.8 -66.7 -39.8 -27.5 84.1 49.1 132 528 A K H X S+ 0 0 76 -4,-1.0 4,-2.4 1,-0.2 -2,-0.2 0.967 109.1 47.7 -60.1 -55.5 -25.9 87.5 48.8 133 529 A N H < S+ 0 0 31 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.750 113.0 51.6 -58.0 -26.7 -26.3 88.3 52.5 134 530 A S H ><>S+ 0 0 0 -4,-1.1 5,-1.1 -5,-0.2 3,-1.1 0.968 110.5 44.4 -74.8 -55.9 -24.8 84.9 53.3 135 531 A L H 3<5S+ 0 0 25 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.1 0.840 101.6 66.4 -57.6 -37.4 -21.7 85.2 51.1 136 532 A E T 3<5S+ 0 0 103 -4,-2.4 -1,-0.3 -5,-0.2 2,-0.3 0.150 113.2 40.9 -72.7 24.6 -21.0 88.7 52.3 137 533 A N T < 5S- 0 0 51 -3,-1.1 2,-2.7 -5,-0.1 0, 0.0 -0.943 110.8 -87.4-160.5 161.5 -20.4 86.9 55.5 138 534 A D T 5S+ 0 0 141 -2,-0.3 -3,-0.1 1,-0.2 3,-0.1 -0.287 92.9 109.0 -76.8 58.0 -18.7 83.6 56.5 139 535 A L >< + 0 0 32 -2,-2.7 4,-1.6 -5,-1.1 -1,-0.2 -0.479 28.2 133.6-129.0 58.9 -22.0 81.7 55.8 140 536 A X H > + 0 0 17 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.822 65.8 59.7 -80.3 -34.5 -21.1 79.9 52.7 141 537 A X H > S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.897 110.9 44.6 -60.0 -38.1 -22.4 76.4 53.7 142 538 A E H > S+ 0 0 19 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.930 108.2 56.4 -70.4 -45.2 -25.8 78.1 54.0 143 539 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.898 112.0 45.2 -50.9 -42.7 -25.3 80.0 50.8 144 540 A X H X S+ 0 0 2 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.902 110.8 50.9 -69.5 -44.2 -24.8 76.6 49.2 145 541 A V H < S+ 0 0 3 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.895 113.7 45.2 -62.0 -42.1 -27.7 74.9 50.9 146 542 A I H >< S+ 0 0 7 -4,-3.1 3,-2.2 1,-0.2 4,-0.2 0.971 115.1 48.3 -63.5 -51.2 -30.1 77.6 49.9 147 543 A A H >< S+ 0 0 0 -4,-2.3 3,-0.6 -5,-0.3 -2,-0.2 0.678 103.4 61.3 -62.2 -19.9 -28.6 77.5 46.4 148 544 A L T 3< S+ 0 0 6 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.339 101.8 57.6 -88.2 7.8 -29.0 73.7 46.4 149 545 A D T < S+ 0 0 78 -3,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.431 100.5 56.5-116.4 -3.2 -32.7 74.4 46.8 150 546 A S < - 0 0 20 -3,-0.6 -3,-0.0 -4,-0.2 3,-0.0 -0.197 68.2-135.1-110.3-157.0 -33.5 76.5 43.7 151 547 A N + 0 0 146 -2,-0.1 -1,-0.1 0, 0.0 5,-0.1 0.513 61.4 120.6-131.3 -37.6 -33.0 76.1 39.9 152 548 A N > - 0 0 93 1,-0.1 4,-3.7 3,-0.1 5,-0.2 -0.078 48.0-161.2 -37.9 103.6 -31.6 79.5 38.9 153 549 A E H > S+ 0 0 131 2,-0.2 4,-0.8 1,-0.2 5,-0.3 0.970 84.1 54.3 -56.9 -62.5 -28.3 78.4 37.4 154 550 A R H >> S+ 0 0 209 1,-0.3 4,-2.0 2,-0.2 3,-0.5 0.855 119.3 36.2 -41.1 -46.0 -26.5 81.8 37.6 155 551 A L H 3> S+ 0 0 20 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.950 113.2 57.2 -72.5 -50.0 -27.2 81.9 41.3 156 552 A K H 3< S+ 0 0 29 -4,-3.7 -2,-0.2 1,-0.2 -1,-0.2 0.477 119.1 35.3 -59.7 0.9 -26.8 78.1 41.5 157 553 A E H > S+ 0 0 10 1,-0.3 4,-2.4 2,-0.2 3,-0.6 0.953 109.4 51.8 -52.7 -54.5 -19.5 77.6 43.4 161 557 A N H 3X S+ 0 0 57 -4,-2.1 4,-1.2 1,-0.3 571,-0.3 0.798 109.0 51.9 -53.1 -31.4 -17.3 80.3 42.0 162 558 A A H 3X S+ 0 0 6 -4,-0.7 4,-0.8 -3,-0.4 -1,-0.3 0.858 108.9 51.4 -73.8 -35.7 -17.3 81.9 45.5 163 559 A Y H XX S+ 0 0 3 -4,-2.0 3,-1.5 -3,-0.6 4,-1.0 0.988 114.1 40.4 -61.9 -61.9 -16.2 78.5 46.9 164 560 A F H 3X S+ 0 0 4 -4,-2.4 4,-0.7 1,-0.3 5,-0.3 0.784 102.3 75.9 -58.2 -28.6 -13.3 78.0 44.6 165 561 A A H 3< S+ 0 0 26 -4,-1.2 -1,-0.3 -5,-0.4 -2,-0.2 0.815 116.9 11.8 -54.4 -35.2 -12.5 81.7 45.0 166 562 A K H << S+ 0 0 66 -3,-1.5 -1,-0.2 -4,-0.8 -2,-0.2 0.284 133.5 42.6-129.3 11.2 -11.1 81.2 48.5 167 563 A Y H >< S+ 0 0 60 -4,-1.0 3,-2.6 -3,-0.2 4,-0.5 0.680 86.5 78.6-124.8 -37.5 -10.7 77.4 48.8 168 564 A G T 3< S+ 0 0 2 -4,-0.7 7,-0.3 -5,-0.3 3,-0.2 0.676 101.7 47.5 -49.6 -18.4 -9.3 75.9 45.6 169 565 A S T 3 S+ 0 0 89 -5,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.555 108.9 51.7-100.4 -11.4 -5.9 77.2 46.8 170 566 A K S < S+ 0 0 157 -3,-2.6 2,-0.3 1,-0.2 -2,-0.2 0.194 115.1 38.9-109.2 14.1 -6.0 75.9 50.3 171 567 A S > 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3<5S+ 0 0 17 -4,-3.3 2,-0.4 1,-0.2 -2,-0.2 0.999 111.8 42.1 -64.8 -68.7 -16.6 71.5 37.5 182 578 A K T 3<5S- 0 0 122 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.1 0.156 115.9-114.5 -69.0 23.2 -15.5 73.9 34.8 183 579 A R T < 5S+ 0 0 196 -3,-0.8 2,-0.3 -2,-0.4 -3,-0.2 0.917 70.6 122.9 40.6 75.6 -14.9 70.9 32.5 184 580 A E < - 0 0 66 -5,-2.3 -1,-0.1 1,-0.1 4,-0.1 -0.989 39.9-179.2-157.5 158.1 -11.1 71.1 32.0 185 581 A V >> + 0 0 1 -2,-0.3 4,-1.9 2,-0.1 3,-0.7 0.534 62.1 98.2-132.0 -27.3 -7.9 69.0 32.6 186 582 A D H 3> S+ 0 0 77 1,-0.3 4,-1.1 2,-0.2 5,-0.1 0.766 88.6 51.6 -36.0 -37.0 -5.1 71.3 31.4 187 583 A D H 3> S+ 0 0 17 2,-0.2 4,-2.2 3,-0.2 5,-0.5 0.957 116.4 37.8 -69.1 -50.2 -4.6 72.2 35.1 188 584 A L H X> S+ 0 0 0 -3,-0.7 4,-2.8 3,-0.2 3,-0.5 0.993 115.2 51.1 -61.7 -65.3 -4.4 68.6 36.2 189 585 A V H 3< S+ 0 0 1 -4,-1.9 -1,-0.2 1,-0.2 -3,-0.2 0.754 122.3 34.2 -44.6 -32.1 -2.5 67.2 33.3 190 586 A E H 3< S+ 0 0 81 -4,-1.1 -1,-0.2 -5,-0.5 -2,-0.2 0.696 133.5 18.7-102.3 -21.7 0.1 69.9 33.6 191 587 A N H << S+ 0 0 35 -4,-2.2 548,-2.2 -3,-0.5 -3,-0.2 0.597 89.0 104.3-126.7 -14.5 0.4 70.6 37.4 192 588 A L B < S-e 739 0C 0 -4,-2.8 548,-0.2 -5,-0.5 546,-0.0 -0.489 89.2 -86.1 -70.5 141.3 -1.0 67.6 39.3 193 589 A D > - 0 0 58 546,-2.3 3,-2.9 1,-0.2 -1,-0.1 -0.197 30.4-130.7 -50.6 128.9 1.7 65.5 40.8 194 590 A V G > S+ 0 0 15 1,-0.3 3,-1.6 2,-0.1 4,-0.2 0.807 104.2 74.2 -50.3 -32.5 3.0 62.9 38.3 195 591 A S G 3 S+ 0 0 94 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.656 95.8 50.8 -57.8 -16.4 2.5 60.3 41.1 196 592 A Q G X> S+ 0 0 17 -3,-2.9 4,-1.2 1,-0.1 3,-0.8 -0.229 72.8 126.4-115.0 41.8 -1.2 60.6 40.5 197 593 A W H <> + 0 0 18 -3,-1.6 4,-1.8 1,-0.2 3,-0.4 0.921 64.1 62.1 -66.5 -45.3 -1.0 60.1 36.7 198 594 A K H 3> S+ 0 0 66 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.688 107.4 48.8 -55.1 -16.1 -3.5 57.3 36.5 199 595 A F H <> S+ 0 0 0 -3,-0.8 4,-1.4 2,-0.2 -1,-0.3 0.816 107.5 51.6 -89.7 -37.6 -5.9 59.9 37.8 200 596 A I H < S+ 0 0 0 -4,-1.2 4,-0.2 -3,-0.4 -2,-0.2 0.676 110.1 53.2 -70.9 -17.6 -4.9 62.5 35.3 201 597 A S H >X S+ 0 0 1 -4,-1.8 4,-1.8 2,-0.2 3,-1.2 0.898 106.5 48.4 -83.2 -44.6 -5.5 59.8 32.7 202 598 A K H 3X S+ 0 0 69 -4,-1.0 4,-1.5 1,-0.3 -2,-0.2 0.791 105.8 61.3 -64.5 -27.6 -9.1 59.0 33.8 203 599 A A H 3X S+ 0 0 1 -4,-1.4 4,-1.0 2,-0.2 -1,-0.3 0.662 106.1 45.6 -73.6 -17.3 -9.8 62.7 33.8 204 600 A I H <> S+ 0 0 0 -3,-1.2 4,-1.6 -4,-0.2 -2,-0.2 0.829 113.4 46.4 -91.9 -40.3 -9.0 62.8 30.1 205 601 A Q H < S+ 0 0 82 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.774 116.8 49.8 -70.4 -24.5 -11.1 59.7 29.1 206 602 A N H < S+ 0 0 65 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.851 115.1 38.2 -82.0 -40.1 -13.8 61.2 31.3 207 603 A L H < S+ 0 0 43 -4,-1.0 -2,-0.2 1,-0.2 -3,-0.1 0.636 124.7 37.4 -88.6 -16.8 -13.9 64.8 29.9 208 604 A Y >< + 0 0 41 -4,-1.6 3,-0.8 1,-0.1 -1,-0.2 -0.407 65.2 136.0-132.3 58.0 -13.4 63.9 26.3 209 605 A P T 3 S+ 0 0 82 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.784 81.7 40.1 -75.7 -25.0 -15.3 60.7 25.6 210 606 A N T 3 S+ 0 0 149 1,-0.2 2,-0.1 -3,-0.1 -2,-0.0 -0.079 109.8 63.1-112.7 32.3 -16.8 61.9 22.3 211 607 A D X> + 0 0 66 -3,-0.8 4,-2.1 1,-0.1 3,-0.5 -0.485 51.7 171.9-157.9 77.7 -13.7 63.7 21.0 212 608 A I H 3> S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.785 75.6 62.9 -59.5 -35.0 -10.6 61.4 20.4 213 609 A A H 3> S+ 0 0 78 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.901 112.0 37.6 -59.7 -42.1 -8.4 64.0 18.7 214 610 A Q H <> S+ 0 0 56 -3,-0.5 4,-2.3 2,-0.2 5,-0.3 0.907 111.8 60.2 -73.9 -45.4 -8.4 66.1 21.9 215 611 A R H X S+ 0 0 36 -4,-2.1 4,-2.5 1,-0.3 -2,-0.2 0.914 109.2 42.4 -47.5 -53.1 -8.2 63.0 24.1 216 612 A N H X S+ 0 0 35 -4,-2.5 4,-2.8 2,-0.2 -1,-0.3 0.780 108.3 59.9 -69.9 -28.3 -5.0 61.9 22.6 217 613 A E H X S+ 0 0 110 -4,-1.0 4,-3.2 -5,-0.2 -2,-0.2 0.994 113.7 36.1 -61.4 -59.7 -3.5 65.4 22.5 218 614 A X H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.917 116.7 54.8 -56.1 -46.3 -3.8 65.7 26.3 219 615 A X H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.900 113.3 41.7 -54.3 -44.9 -2.9 62.0 26.7 220 616 A I H X S+ 0 0 27 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.891 110.5 57.2 -68.8 -42.0 0.3 62.6 24.6 221 617 A K H X S+ 0 0 75 -4,-3.2 4,-1.1 -5,-0.2 -2,-0.2 0.862 111.6 44.0 -57.3 -36.1 0.9 65.9 26.5 222 618 A L H X S+ 0 0 1 -4,-2.6 4,-1.9 -5,-0.2 3,-0.3 0.932 105.4 60.8 -74.7 -48.0 0.8 63.8 29.7 223 619 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.840 104.5 50.2 -47.4 -40.4 3.0 61.0 28.3 224 620 A D H X S+ 0 0 51 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.919 105.9 54.6 -66.1 -44.6 5.8 63.5 27.8 225 621 A R H < S+ 0 0 32 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.849 110.1 49.3 -58.2 -34.5 5.6 64.8 31.3 226 622 A X H ><>S+ 0 0 0 -4,-1.9 3,-2.2 1,-0.2 5,-2.2 0.987 111.6 45.5 -66.6 -61.5 6.0 61.2 32.5 227 623 A K H ><5S+ 0 0 64 -4,-2.2 3,-1.1 1,-0.3 -2,-0.2 0.864 110.9 54.3 -49.2 -44.1 9.0 60.4 30.4 228 624 A E T 3<5S+ 0 0 164 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.198 109.7 50.0 -80.4 17.6 10.7 63.6 31.3 229 625 A N T < 5S- 0 0 85 -3,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 -0.092 127.0 -86.7-144.9 34.7 10.2 62.8 35.0 230 626 A G T < 5S+ 0 0 73 -3,-1.1 2,-1.1 1,-0.1 3,-0.3 0.338 95.9 115.0 78.0 -6.7 11.6 59.3 35.2 231 627 A H >< + 0 0 63 -5,-2.2 4,-1.6 -6,-0.2 -3,-0.1 -0.531 26.3 144.6 -98.5 70.5 8.4 57.4 34.3 232 628 A R H > + 0 0 29 -2,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.945 68.2 52.1 -69.2 -52.1 9.5 55.9 31.1 233 629 A Q H > S+ 0 0 48 -3,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.840 115.6 42.1 -57.1 -35.8 7.6 52.6 31.4 234 630 A D H > S+ 0 0 51 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.811 105.5 62.3 -82.2 -31.0 4.4 54.4 32.0 235 631 A S H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.815 101.4 53.8 -63.9 -29.9 4.8 57.1 29.4 236 632 A L H X S+ 0 0 0 -4,-1.5 4,-3.8 2,-0.2 -1,-0.2 0.895 104.2 55.7 -70.6 -39.2 4.8 54.4 26.7 237 633 A T H X S+ 0 0 10 -4,-0.8 4,-1.3 2,-0.2 -2,-0.2 0.967 107.9 47.5 -54.8 -56.1 1.5 53.2 28.0 238 634 A L H >X S+ 0 0 0 -4,-2.0 4,-0.7 1,-0.2 3,-0.6 0.906 114.8 46.8 -51.1 -47.6 -0.0 56.6 27.6 239 635 A Y H >X>S+ 0 0 3 -4,-1.9 3,-1.6 1,-0.2 5,-1.6 0.941 105.4 58.5 -60.3 -51.3 1.5 56.8 24.1 240 636 A L H 3<5S+ 0 0 1 -4,-3.8 53,-0.3 1,-0.3 -1,-0.2 0.753 111.1 44.3 -50.6 -25.8 0.3 53.3 23.2 241 637 A A H <<5S+ 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4,-2.4 -5,-0.3 -1,-0.2 0.900 112.5 47.7 -52.6 -45.1 10.8 45.2 18.8 285 681 A F H X S+ 0 0 7 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.3 0.831 111.3 52.4 -66.3 -33.4 9.5 48.0 16.6 286 682 A T H X S+ 0 0 20 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.982 112.4 41.9 -65.7 -58.4 7.8 45.5 14.3 287 683 A V H >< S+ 0 0 0 -4,-2.8 3,-0.5 1,-0.2 4,-0.3 0.896 117.3 48.4 -56.7 -44.5 5.9 43.7 17.1 288 684 A F H >X S+ 0 0 0 -4,-2.4 3,-2.1 -5,-0.3 4,-0.9 0.933 108.1 52.5 -63.7 -46.8 5.0 46.9 18.8 289 685 A S H 3< S+ 0 0 45 -4,-2.3 5,-0.4 1,-0.3 -1,-0.2 0.685 100.7 67.2 -62.3 -16.4 3.8 48.6 15.6 290 686 A N T << S+ 0 0 56 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.605 106.2 37.8 -79.0 -14.6 1.6 45.5 15.2 291 687 A F T <4 S+ 0 0 33 -3,-2.1 2,-0.2 -4,-0.3 -2,-0.2 0.509 104.5 76.7-114.6 -8.6 -0.5 46.4 18.2 292 688 A I S < S- 0 0 13 -4,-0.9 2,-1.7 -49,-0.0 -51,-0.1 -0.616 87.3-106.9-103.9 164.6 -0.8 50.2 18.0 293 689 A N 0 0 135 -53,-0.3 -48,-0.2 -2,-0.2 -3,-0.1 -0.467 360.0 360.0 -85.2 64.2 -2.9 52.5 15.8 294 690 A G 0 0 88 -2,-1.7 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16.4-147.9-162.5 169.5 0.4 70.2 43.6 740 505 C S - 0 0 51 -2,-0.3 2,-0.5 -548,-0.2 -568,-0.2 -0.983 25.3-105.7-148.0 157.8 -0.5 66.7 44.7 741 506 C L - 0 0 16 -2,-0.3 2,-0.4 -548,-0.1 6,-0.1 -0.731 38.6-171.0 -85.2 124.6 -3.3 64.7 46.4 742 507 C S + 0 0 80 -2,-0.5 4,-0.5 2,-0.0 -569,-0.1 -0.955 45.7 28.0-120.0 138.7 -2.4 63.8 49.9 743 508 C G S > S- 0 0 33 -2,-0.4 4,-1.1 2,-0.1 5,-0.1 0.201 85.1 -95.1 93.1 144.6 -4.3 61.4 52.1 744 509 C N H > S+ 0 0 124 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.753 122.4 56.3 -64.1 -24.4 -6.4 58.4 51.2 745 510 C I H > S+ 0 0 71 2,-0.2 4,-2.4 1,-0.2 5,-0.4 0.994 104.8 44.3 -71.5 -67.2 -9.4 60.7 51.4 746 511 C E H > S+ 0 0 33 -4,-0.5 4,-0.9 1,-0.2 -1,-0.2 0.744 120.2 49.7 -49.8 -22.1 -8.5 63.5 48.9 747 512 C Q H X S+ 0 0 59 -4,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.909 108.2 45.6 -85.1 -48.7 -7.4 60.6 46.7 748 513 C T H X S+ 0 0 58 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.900 114.6 49.8 -64.2 -40.1 -10.4 58.2 46.8 749 514 C I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.947 108.2 52.0 -64.0 -47.5 -12.8 61.1 46.2 750 515 C S H X S+ 0 0 0 -4,-0.9 4,-1.7 -5,-0.4 5,-0.4 0.941 111.1 50.3 -53.8 -45.4 -10.8 62.4 43.3 751 516 C K H X S+ 0 0 46 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.979 107.2 52.0 -55.1 -60.0 -11.0 58.8 41.9 752 517 C N H <>S+ 0 0 22 -4,-3.0 5,-2.8 2,-0.2 -1,-0.2 0.856 110.9 51.3 -42.7 -45.6 -14.8 58.7 42.4 753 518 C L H >X5S+ 0 0 3 -4,-2.6 3,-2.2 3,-0.2 4,-0.5 0.992 115.5 34.1 -58.3 -76.4 -15.1 61.9 40.5 754 519 C V H 3<5S+ 0 0 3 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.798 109.5 68.4 -52.2 -30.1 -13.1 61.3 37.3 755 520 C S T 3<5S- 0 0 69 -4,-2.9 -1,-0.3 -5,-0.4 -2,-0.2 0.318 116.2-120.1 -71.9 12.1 -14.3 57.7 37.5 756 521 C G T <45S+ 0 0 52 -3,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.906 77.7 126.7 47.8 48.7 -17.7 59.3 36.8 757 522 C N X< + 0 0 47 -5,-2.8 4,-1.5 -4,-0.5 3,-0.2 -0.391 20.6 159.4-131.7 55.2 -19.1 58.0 40.0 758 523 C I H > + 0 0 59 -5,-0.2 4,-1.5 1,-0.2 5,-0.1 0.744 65.9 68.7 -50.3 -29.3 -20.4 61.2 41.7 759 524 C K H >> S+ 0 0 143 1,-0.2 4,-1.4 2,-0.2 3,-1.3 0.986 105.3 34.4 -55.8 -72.1 -22.7 59.1 44.0 760 525 C S H 3> S+ 0 0 34 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.778 110.1 67.0 -55.0 -30.6 -20.0 57.5 46.2 761 526 C A H 3X S+ 0 0 0 -4,-1.5 4,-1.4 1,-0.2 -1,-0.3 0.889 101.7 48.2 -58.7 -38.9 -17.9 60.6 46.0 762 527 C V H X S+ 0 0 107 -4,-1.4 4,-3.0 1,-0.2 3,-0.5 0.957 110.7 45.8 -53.3 -60.2 -20.8 59.7 50.5 764 529 C N H 3X S+ 0 0 46 -4,-2.7 4,-0.7 1,-0.3 -1,-0.2 0.782 111.3 54.6 -56.1 -30.1 -17.0 59.5 51.2 765 530 C S H 3<>S+ 0 0 0 -4,-1.4 5,-2.3 -5,-0.3 -1,-0.3 0.885 114.7 40.7 -70.4 -38.1 -17.0 63.3 51.4 766 531 C L H <<5S+ 0 0 33 -4,-2.1 -2,-0.2 -3,-0.5 -3,-0.2 0.876 107.6 55.6 -77.8 -44.8 -19.7 63.2 54.1 767 532 C E H <5S+ 0 0 149 -4,-3.0 2,-0.2 -5,-0.2 -1,-0.2 0.791 114.0 53.5 -60.9 -22.7 -18.6 60.2 56.2 768 533 C N T <5S- 0 0 54 -4,-0.7 2,-1.0 -5,-0.4 0, 0.0 -0.589 113.7-102.5 -97.8 166.8 -15.5 62.4 56.4 769 534 C D T 5S+ 0 0 125 -2,-0.2 2,-0.4 1,-0.2 3,-0.2 -0.253 84.9 118.2 -91.2 53.5 -16.0 65.9 57.5 770 535 C L >< + 0 0 39 -5,-2.3 4,-2.0 -2,-1.0 -1,-0.2 -0.514 25.9 148.4-112.2 60.6 -15.8 67.4 54.0 771 536 C X H > + 0 0 14 -2,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.920 68.0 52.2 -64.8 -49.5 -19.3 68.9 53.7 772 537 C X H > S+ 0 0 44 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.890 110.5 54.0 -53.3 -37.3 -18.7 71.9 51.5 773 538 C E H > S+ 0 0 12 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.955 108.2 46.7 -60.4 -52.3 -17.0 69.4 49.2 774 539 C A H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.887 116.3 47.1 -57.5 -40.8 -20.1 67.2 49.2 775 540 C X H X S+ 0 0 1 -4,-2.8 4,-3.9 2,-0.2 5,-0.2 0.988 107.7 51.7 -65.6 -61.4 -22.2 70.2 48.5 776 541 C V H < S+ 0 0 5 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.816 115.9 46.2 -45.5 -34.2 -20.1 71.8 45.8 777 542 C I H >< S+ 0 0 11 -4,-1.9 3,-2.2 -5,-0.3 4,-0.3 0.977 115.8 40.3 -74.3 -58.7 -20.4 68.4 44.1 778 543 C A H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.3 -2,-0.2 0.805 107.7 65.3 -60.0 -28.8 -24.1 67.7 44.5 779 544 C L T 3< S+ 0 0 2 -4,-3.9 -1,-0.3 1,-0.3 -2,-0.2 0.401 103.8 48.9 -73.5 4.2 -24.6 71.3 43.7 780 545 C D T < S+ 0 0 74 -3,-2.2 -1,-0.3 -5,-0.2 2,-0.2 0.391 100.6 76.0-121.2 -5.2 -23.2 70.3 40.3 781 546 C S < - 0 0 23 -3,-1.3 0, 0.0 -4,-0.3 0, 0.0 -0.667 69.5-140.9-105.4 164.3 -25.4 67.3 39.7 782 547 C N + 0 0 153 -2,-0.2 2,-0.2 -3,-0.0 -3,-0.1 0.136 65.0 115.4-109.8 18.4 -29.0 67.1 38.6 783 548 C N - 0 0 79 -5,-0.2 -2,-0.1 1,-0.1 4,-0.0 -0.506 46.7-164.5 -82.1 156.3 -29.9 64.2 40.9 784 549 C E S > S+ 0 0 142 -2,-0.2 4,-1.5 3,-0.1 5,-0.3 0.815 80.7 52.7-107.5 -57.9 -32.4 64.8 43.7 785 550 C R H > S+ 0 0 222 1,-0.2 4,-0.5 2,-0.2 -2,-0.0 0.862 123.5 35.2 -47.9 -38.9 -32.3 62.0 46.2 786 551 C L H >> S+ 0 0 26 2,-0.2 4,-1.7 1,-0.2 3,-1.7 0.950 112.3 58.2 -78.4 -54.3 -28.6 62.6 46.3 787 552 C K H 34 S+ 0 0 37 1,-0.3 4,-0.3 2,-0.2 -2,-0.2 0.615 116.0 39.3 -51.2 -12.5 -28.8 66.3 45.9 788 553 C E H 3X S+ 0 0 77 -4,-1.5 4,-2.1 2,-0.2 -1,-0.3 0.531 99.1 71.0-114.2 -14.3 -31.0 66.2 49.1 789 554 C S H S+ 0 0 4 -4,-0.3 4,-2.3 -5,-0.2 -2,-0.2 0.897 110.3 47.8 -64.3 -41.3 -29.0 68.7 52.7 792 557 C N H X S+ 0 0 45 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.860 109.3 54.4 -67.3 -35.7 -30.2 66.3 55.3 793 558 C A H X S+ 0 0 7 -4,-1.7 4,-1.1 2,-0.2 5,-0.2 0.931 108.8 49.6 -62.2 -44.6 -26.6 65.6 56.3 794 559 C Y H >X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 3,-0.8 0.950 114.5 42.4 -58.2 -53.5 -26.1 69.4 56.8 795 560 C F H 3X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 5,-0.3 0.905 104.7 68.1 -60.5 -43.0 -29.2 69.7 58.9 796 561 C A H 3< S+ 0 0 36 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.767 117.9 17.8 -49.8 -33.9 -28.4 66.6 60.8 797 562 C K H << S+ 0 0 54 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.646 132.4 39.0-116.9 -18.2 -25.3 68.1 62.5 798 563 C Y H >X S+ 0 0 62 -4,-2.3 3,-1.9 -5,-0.2 4,-0.9 0.704 91.0 86.7-102.6 -23.4 -25.7 71.8 62.2 799 564 C G T 3< S+ 0 0 1 -4,-2.1 3,-0.5 -5,-0.5 7,-0.3 0.825 96.8 38.6 -42.9 -46.8 -29.4 72.1 62.8 800 565 C S T 34 S+ 0 0 100 -5,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.530 113.6 57.3 -85.1 -8.2 -29.0 72.3 66.6 801 566 C K T <4 S+ 0 0 156 -3,-1.9 2,-0.3 1,-0.2 -1,-0.2 0.451 109.4 38.7-102.7 -0.5 -25.8 74.4 66.4 802 567 C S X - 0 0 36 -4,-0.9 4,-2.2 -3,-0.5 -1,-0.2 -0.974 57.4-152.1-152.4 133.8 -27.2 77.4 64.5 803 568 C S H > S+ 0 0 20 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.887 105.0 50.7 -71.0 -38.2 -30.6 79.2 64.5 804 569 C L H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.908 111.1 50.4 -63.8 -40.5 -30.2 80.2 60.8 805 570 C S H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.921 109.7 49.4 -62.2 -45.4 -29.4 76.5 60.1 806 571 C R H X S+ 0 0 16 -4,-2.2 4,-1.4 -7,-0.3 -1,-0.2 0.861 112.2 48.6 -63.4 -36.0 -32.6 75.4 62.0 807 572 C I H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.930 106.7 54.6 -70.7 -44.9 -34.7 78.0 60.1 808 573 C L H X S+ 0 0 7 -4,-2.7 4,-3.4 1,-0.2 5,-0.2 0.872 103.1 61.5 -54.8 -36.9 -33.3 76.9 56.7 809 574 C Y H X S+ 0 0 21 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.958 104.6 43.4 -53.6 -59.5 -34.4 73.4 57.7 810 575 C S H <>S+ 0 0 3 -4,-1.4 5,-2.8 1,-0.2 4,-0.2 0.871 116.1 49.0 -57.5 -39.3 -38.1 74.2 58.0 811 576 C I H ><5S+ 0 0 53 -4,-2.0 3,-1.2 3,-0.2 -1,-0.2 0.945 111.4 48.3 -65.6 -47.6 -37.9 76.2 54.8 812 577 C S H 3<5S+ 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