==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 14-JUL-10 3NY7 . COMPND 2 MOLECULE: SULFATE TRANSPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.F.MORAES,R.REITHMEIER,N.C.S.STRYNADKA . 195 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10803.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 15 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 0 0 0 1 1 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 1 433 A G 0 0 120 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.0 45.2 37.5 37.0 2 434 A S - 0 0 100 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.254 360.0-122.4 -96.0 9.8 46.8 35.8 40.0 3 435 A H + 0 0 166 1,-0.1 28,-0.0 2,-0.0 0, 0.0 0.823 63.7 144.7 55.5 36.5 45.3 32.4 39.1 4 436 A M + 0 0 133 1,-0.1 2,-0.6 2,-0.0 -1,-0.1 0.690 55.1 68.6 -83.0 -17.0 43.6 32.3 42.5 5 437 A T S S+ 0 0 22 20,-0.1 2,-0.3 18,-0.0 20,-0.2 -0.913 78.4 154.5 -98.2 120.0 40.5 30.5 41.1 6 438 A R E -A 24 0A 127 18,-2.3 18,-2.7 -2,-0.6 2,-0.4 -0.927 48.7-107.1-149.6 160.7 41.7 27.1 40.1 7 439 A L E -A 23 0A 22 -2,-0.3 16,-0.2 16,-0.2 44,-0.0 -0.800 36.1-163.5 -91.8 133.1 41.0 23.4 39.5 8 440 A A E -A 22 0A 16 14,-2.4 14,-2.6 -2,-0.4 -2,-0.0 -0.960 20.3-112.2-122.5 138.7 42.3 21.1 42.1 9 441 A P E -A 21 0A 118 0, 0.0 2,-0.4 0, 0.0 12,-0.2 -0.296 25.8-146.6 -61.8 148.6 42.8 17.3 42.0 10 442 A V - 0 0 30 10,-0.9 2,-1.1 2,-0.1 10,-0.2 -0.984 10.4-133.8-120.3 127.8 40.6 15.0 44.1 11 443 A V + 0 0 146 -2,-0.4 2,-0.3 2,-0.0 0, 0.0 -0.694 57.2 121.4 -81.2 101.4 41.9 11.8 45.6 12 444 A V - 0 0 41 -2,-1.1 2,-0.6 8,-0.1 8,-0.1 -0.971 66.0-106.7-157.8 145.5 39.1 9.2 44.8 13 445 A D + 0 0 167 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.691 53.4 155.2 -79.0 116.7 38.9 5.9 43.0 14 446 A V - 0 0 45 -2,-0.6 -2,-0.0 4,-0.1 6,-0.0 -0.954 47.3 -89.8-138.6 157.4 37.1 6.5 39.7 15 447 A P > - 0 0 56 0, 0.0 3,-1.7 0, 0.0 103,-0.0 -0.253 45.7-108.1 -59.9 157.3 36.9 4.9 36.2 16 448 A D T 3 S+ 0 0 154 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.696 117.6 58.4 -64.2 -19.6 39.3 6.3 33.7 17 449 A D T 3 S+ 0 0 51 29,-0.1 30,-2.7 30,-0.0 31,-1.5 0.171 92.5 83.0 -97.4 17.1 36.5 8.1 31.8 18 450 A V E < - b 0 48A 6 -3,-1.7 2,-0.5 28,-0.2 31,-0.2 -0.979 60.8-161.5-122.0 133.4 35.4 10.1 34.9 19 451 A L E - b 0 49A 31 29,-2.5 31,-3.2 -2,-0.4 2,-0.5 -0.956 5.0-170.9-116.5 129.6 37.1 13.3 35.9 20 452 A V E + b 0 50A 12 -2,-0.5 -10,-0.9 29,-0.2 2,-0.3 -0.971 16.0 159.5-124.9 118.8 36.7 14.7 39.5 21 453 A L E -Ab 9 51A 8 29,-2.7 31,-2.6 -2,-0.5 2,-0.4 -0.945 32.5-133.2-135.1 152.9 37.9 18.2 40.4 22 454 A R E -Ab 8 52A 72 -14,-2.6 -14,-2.4 -2,-0.3 2,-0.6 -0.852 16.4-142.4 -98.8 144.2 37.4 20.8 43.0 23 455 A V E -A 7 0A 0 29,-2.5 2,-0.6 -2,-0.4 32,-0.5 -0.946 20.3-168.8-102.7 120.4 36.9 24.5 42.0 24 456 A I E +Ab 6 55A 27 -18,-2.7 -18,-2.3 -2,-0.6 32,-0.2 -0.945 48.0 25.3-114.9 119.7 38.7 26.7 44.5 25 457 A G S S- 0 0 11 30,-2.7 -20,-0.1 -2,-0.6 2,-0.1 -0.400 95.0 -48.1 115.9 166.3 38.0 30.4 44.4 26 458 A P - 0 0 37 0, 0.0 2,-0.7 0, 0.0 33,-0.2 -0.360 39.8-134.1 -75.1 146.9 35.3 32.7 43.3 27 459 A L B +f 59 0B 0 31,-3.0 33,-1.4 4,-0.1 2,-0.2 -0.546 43.1 156.7-100.8 63.7 33.7 32.5 39.8 28 460 A F > - 0 0 100 -2,-0.7 4,-3.0 31,-0.2 3,-0.3 -0.605 59.7 -95.8 -73.8 152.2 33.7 36.1 38.8 29 461 A F H > S+ 0 0 104 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.823 120.1 44.6 -36.1 -61.3 33.6 36.5 35.1 30 462 A A H > S+ 0 0 77 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.898 118.2 42.2 -63.2 -45.7 37.3 36.9 34.3 31 463 A A H > S+ 0 0 36 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.878 114.5 52.3 -65.0 -40.2 38.4 34.0 36.6 32 464 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.4 0.897 104.6 56.8 -63.7 -41.5 35.6 31.8 35.4 33 465 A E H X S+ 0 0 59 -4,-2.8 4,-1.5 -5,-0.3 -1,-0.2 0.922 111.0 42.4 -54.1 -47.8 36.5 32.5 31.8 34 466 A G H X S+ 0 0 45 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.888 114.9 50.4 -69.5 -39.2 40.0 31.1 32.3 35 467 A L H X S+ 0 0 9 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.911 112.3 44.1 -67.5 -45.8 38.9 28.2 34.4 36 468 A F H X S+ 0 0 6 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.820 112.1 53.9 -71.9 -29.9 36.2 26.9 32.1 37 469 A T H X S+ 0 0 82 -4,-1.5 4,-0.6 -5,-0.4 -2,-0.2 0.925 111.0 46.5 -66.6 -42.9 38.6 27.3 29.1 38 470 A D H >< S+ 0 0 63 -4,-2.1 3,-1.5 1,-0.2 4,-0.3 0.947 109.8 53.9 -59.9 -49.1 41.1 25.2 30.9 39 471 A L H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.833 98.7 63.2 -55.4 -37.1 38.5 22.6 31.8 40 472 A E H >< S+ 0 0 58 -4,-1.6 3,-0.8 1,-0.3 -1,-0.3 0.758 97.0 58.6 -61.9 -25.0 37.5 22.2 28.2 41 473 A S T << S+ 0 0 92 -3,-1.5 -1,-0.3 -4,-0.6 3,-0.2 0.527 101.4 55.8 -82.8 -4.6 41.0 20.9 27.4 42 474 A R T < S+ 0 0 91 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.297 82.6 88.4-108.5 9.4 40.7 18.1 29.8 43 475 A L X + 0 0 11 -3,-0.8 3,-2.2 -4,-0.1 -1,-0.1 0.473 46.7 126.0 -95.4 -4.8 37.5 16.4 28.5 44 476 A E T 3 S+ 0 0 187 1,-0.3 3,-0.1 -3,-0.2 -3,-0.0 -0.351 88.5 1.3 -58.9 127.6 38.8 14.0 25.9 45 477 A G T 3 S+ 0 0 63 1,-0.2 2,-0.5 -2,-0.1 -1,-0.3 0.565 99.1 134.5 73.9 9.3 37.5 10.5 26.6 46 478 A K < + 0 0 60 -3,-2.2 -1,-0.2 1,-0.2 -28,-0.2 -0.822 32.8 179.0-100.3 126.9 35.5 11.7 29.6 47 479 A R S S+ 0 0 106 -30,-2.7 32,-2.6 -2,-0.5 2,-0.4 0.737 77.1 26.0 -88.0 -31.1 31.9 10.5 30.0 48 480 A I E -bc 18 79A 4 -31,-1.5 -29,-2.5 30,-0.2 2,-0.5 -1.000 59.6-168.4-139.6 133.3 31.4 12.4 33.3 49 481 A V E -bc 19 80A 0 30,-2.7 32,-3.4 -2,-0.4 2,-0.5 -0.992 11.5-163.6-121.4 121.9 33.0 15.5 34.8 50 482 A I E -bc 20 81A 0 -31,-3.2 -29,-2.7 -2,-0.5 2,-0.5 -0.931 3.1-169.2-108.2 122.6 32.3 16.2 38.4 51 483 A L E -bc 21 82A 0 30,-3.0 32,-2.5 -2,-0.5 2,-0.6 -0.960 8.3-156.1-111.2 120.8 33.0 19.6 39.9 52 484 A K E -bc 22 83A 54 -31,-2.6 -29,-2.5 -2,-0.5 3,-0.3 -0.856 9.3-175.0 -96.2 120.8 32.9 20.1 43.6 53 485 A W E > + 0 0 0 30,-3.1 3,-2.2 -2,-0.6 33,-0.4 0.049 42.7 121.8-107.4 23.6 32.2 23.8 44.4 54 486 A D E 3 S+ 0 0 50 1,-0.3 -1,-0.2 29,-0.1 -30,-0.1 0.874 82.1 47.1 -55.7 -32.4 32.5 23.8 48.2 55 487 A A E 3 S+b 24 0A 26 -32,-0.5 -30,-2.7 -3,-0.3 -1,-0.3 0.143 85.5 98.7-101.0 22.2 35.2 26.4 47.9 56 488 A V < + 0 0 1 -3,-2.2 30,-0.5 -32,-0.2 3,-0.1 -0.878 45.0 172.7-102.1 98.0 33.4 28.7 45.4 57 489 A P + 0 0 73 0, 0.0 31,-0.4 0, 0.0 2,-0.3 0.762 61.2 27.0 -83.7 -20.9 32.0 31.4 47.7 58 490 A V - 0 0 47 30,-0.1 -31,-3.0 31,-0.1 2,-0.4 -0.992 51.4-174.5-144.1 145.0 30.6 33.7 44.9 59 491 A L B -f 27 0B 0 -2,-0.3 -31,-0.2 -33,-0.2 2,-0.1 -0.968 19.2-162.5-137.0 118.3 29.4 33.5 41.4 60 492 A D > - 0 0 56 -33,-1.4 4,-2.7 -2,-0.4 5,-0.2 -0.333 36.9 -90.5 -99.4-177.8 28.5 36.7 39.5 61 493 A A H > S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.914 126.9 41.9 -61.0 -46.6 26.5 37.5 36.4 62 494 A G H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.827 112.4 55.1 -68.1 -34.6 29.4 37.1 34.0 63 495 A G H > S+ 0 0 0 2,-0.2 4,-2.1 -36,-0.2 -2,-0.2 0.908 109.6 47.3 -63.4 -42.4 30.7 34.1 35.8 64 496 A L H X S+ 0 0 8 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.931 108.7 54.1 -63.9 -45.7 27.3 32.4 35.4 65 497 A D H X S+ 0 0 97 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.929 109.4 49.1 -50.5 -47.9 27.3 33.4 31.7 66 498 A A H X S+ 0 0 6 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.890 110.0 51.1 -61.5 -42.2 30.6 31.7 31.4 67 499 A F H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.940 109.7 50.1 -57.8 -49.9 29.3 28.6 33.2 68 500 A Q H X S+ 0 0 87 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.884 111.1 48.3 -59.0 -41.3 26.3 28.4 30.8 69 501 A R H X S+ 0 0 128 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.900 109.9 52.6 -65.8 -41.8 28.5 28.7 27.7 70 502 A F H X S+ 0 0 2 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.938 111.6 46.4 -57.0 -48.5 30.8 26.0 29.1 71 503 A V H >< S+ 0 0 6 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.916 110.1 53.1 -60.2 -45.4 27.8 23.7 29.6 72 504 A K H 3< S+ 0 0 173 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.858 110.7 48.9 -56.8 -34.7 26.4 24.6 26.1 73 505 A R H 3< S+ 0 0 126 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.492 79.4 126.9 -88.9 -5.2 29.8 23.6 24.6 74 506 A L << - 0 0 7 -3,-1.2 3,-0.1 -4,-0.6 4,-0.1 -0.261 67.5-105.2 -55.6 138.3 30.2 20.2 26.4 75 507 A P > - 0 0 63 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.204 43.8 -86.8 -60.3 153.4 30.9 17.3 23.9 76 508 A E T 3 S+ 0 0 194 1,-0.2 3,-0.1 -3,-0.1 28,-0.1 -0.412 117.2 22.8 -57.9 134.3 28.1 14.9 23.2 77 509 A G T 3 S+ 0 0 58 1,-0.2 2,-0.5 26,-0.1 -1,-0.2 0.562 96.4 111.8 82.9 8.3 28.1 12.1 25.8 78 510 A C < - 0 0 3 -3,-1.6 2,-0.5 -4,-0.1 -30,-0.2 -0.961 49.8-163.0-116.0 115.6 29.9 14.2 28.4 79 511 A E E -c 48 0A 32 -32,-2.6 -30,-2.7 -2,-0.5 2,-0.5 -0.860 9.9-144.4-102.6 127.4 27.8 15.1 31.5 80 512 A L E -cd 49 105A 0 24,-2.9 26,-2.4 -2,-0.5 2,-0.5 -0.751 15.3-168.6 -85.1 127.0 28.8 17.8 33.9 81 513 A R E -cd 50 106A 14 -32,-3.4 -30,-3.0 -2,-0.5 2,-0.5 -0.981 1.8-167.6-116.0 122.1 27.9 17.1 37.5 82 514 A V E +cd 51 107A 0 24,-2.6 26,-2.1 -2,-0.5 2,-0.3 -0.920 10.0 177.6-110.6 131.4 28.2 19.9 40.0 83 515 A C E +cd 52 108A 0 -32,-2.5 -30,-3.1 -2,-0.5 27,-0.1 -0.903 52.1 28.6-130.9 162.9 28.1 19.4 43.8 84 516 A N - 0 0 38 24,-1.0 2,-0.4 -2,-0.3 -1,-0.2 0.896 67.1-175.2 58.5 44.6 28.3 21.4 47.0 85 517 A V - 0 0 19 23,-0.4 -1,-0.2 -3,-0.2 -31,-0.1 -0.589 19.6-132.7 -69.2 126.9 27.0 24.6 45.6 86 518 A E > - 0 0 76 -30,-0.5 4,-2.5 -33,-0.4 5,-0.2 -0.189 25.3 -92.5 -83.1 174.8 27.3 27.3 48.3 87 519 A F H > S+ 0 0 23 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.909 118.2 44.1 -60.4 -50.3 24.6 29.7 49.3 88 520 A Q H > S+ 0 0 29 -31,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.945 117.2 43.9 -65.2 -48.1 25.4 32.7 47.1 89 521 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.900 115.1 50.8 -62.1 -37.4 26.1 30.8 43.8 90 522 A L H X S+ 0 0 19 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.916 111.6 46.4 -65.7 -43.8 23.0 28.7 44.5 91 523 A R H X S+ 0 0 11 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.891 112.2 52.6 -63.7 -37.9 20.8 31.7 45.0 92 524 A T H X S+ 0 0 27 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.935 112.7 43.0 -62.3 -47.1 22.3 33.3 41.9 93 525 A M H <>S+ 0 0 6 -4,-2.4 5,-2.5 2,-0.2 4,-0.3 0.832 112.6 53.8 -69.2 -34.0 21.5 30.3 39.8 94 526 A A H ><5S+ 0 0 20 -4,-2.3 3,-1.3 3,-0.2 -2,-0.2 0.931 108.4 48.5 -64.5 -46.7 18.0 29.9 41.3 95 527 A R H 3<5S+ 0 0 139 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.844 111.8 50.7 -62.1 -31.9 17.2 33.5 40.5 96 528 A A T 3<5S- 0 0 58 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.516 112.7-122.8 -82.5 -6.0 18.4 32.9 36.9 97 529 A G T < 5 - 0 0 39 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.793 40.3-178.0 67.8 30.1 16.2 29.8 36.7 98 530 A I < - 0 0 28 -5,-2.5 -1,-0.2 1,-0.0 -2,-0.0 -0.352 4.9-171.9 -57.2 135.8 19.1 27.4 35.9 99 531 A Q - 0 0 132 7,-0.0 -1,-0.0 -2,-0.0 -5,-0.0 -0.927 27.0-100.4-127.9 156.3 17.8 23.9 35.3 100 532 A P - 0 0 76 0, 0.0 6,-0.2 0, 0.0 -1,-0.0 -0.347 31.1-144.3 -67.5 161.0 19.5 20.5 34.9 101 533 A I B >> -E 105 0A 72 4,-2.3 4,-2.8 -2,-0.0 3,-2.7 -0.978 26.0-107.6-129.5 118.1 19.8 19.2 31.3 102 534 A P T 34 S- 0 0 130 0, 0.0 4,-0.1 0, 0.0 0, 0.0 -0.137 100.4 -3.6 -47.0 125.4 19.4 15.4 30.7 103 535 A G T 34 S+ 0 0 48 1,-0.1 -26,-0.1 -26,-0.1 3,-0.1 0.364 135.1 59.1 74.2 -4.4 22.8 13.9 29.9 104 536 A R T <4 S+ 0 0 71 -3,-2.7 -24,-2.9 1,-0.3 2,-0.4 0.718 107.5 17.2-122.6 -44.4 24.5 17.3 29.9 105 537 A L E < +dE 80 101A 6 -4,-2.8 -4,-2.3 -26,-0.2 2,-0.3 -0.977 58.9 164.7-143.9 124.5 24.1 19.0 33.3 106 538 A A E -d 81 0A 18 -26,-2.4 -24,-2.6 -2,-0.4 2,-0.3 -0.986 19.8-147.5-137.7 147.7 23.2 17.6 36.8 107 539 A F E -d 82 0A 63 -2,-0.3 -24,-0.2 -26,-0.2 -2,-0.0 -0.896 15.0-178.9-117.5 150.5 23.4 19.0 40.3 108 540 A F E -d 83 0A 52 -26,-2.1 -24,-1.0 -2,-0.3 -23,-0.4 -0.965 34.6-125.5-146.7 151.7 24.0 17.0 43.6 109 541 A P S S- 0 0 79 0, 0.0 2,-0.3 0, 0.0 -26,-0.1 0.789 88.9 -6.7 -70.9 -27.6 24.3 17.9 47.3 110 542 A N S > S- 0 0 56 -27,-0.1 4,-2.0 -26,-0.1 5,-0.2 -0.941 77.1 -89.1-160.9 174.4 27.6 16.2 47.6 111 543 A R H > S+ 0 0 88 -2,-0.3 4,-1.3 1,-0.2 5,-0.1 0.864 118.8 58.0 -65.8 -37.7 30.3 14.0 46.1 112 544 A R H >4 S+ 0 0 173 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.947 109.9 43.5 -56.3 -50.9 28.7 10.8 47.3 113 545 A A H >4 S+ 0 0 17 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.880 111.3 54.7 -63.9 -38.7 25.5 11.6 45.4 114 546 A A H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.715 116.4 38.4 -67.5 -20.5 27.4 12.8 42.3 115 547 A M T X< S+ 0 0 27 -4,-1.3 3,-1.9 -3,-0.7 -1,-0.2 0.305 83.1 107.3-112.8 7.3 29.2 9.4 42.2 116 548 A A T < S+ 0 0 69 -3,-0.9 -1,-0.1 -4,-0.4 -2,-0.1 0.741 78.8 50.9 -63.0 -27.6 26.4 7.1 43.2 117 549 A D T 3 0 0 109 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.346 360.0 360.0 -95.3 11.4 25.8 5.6 39.7 118 550 A L < 0 0 73 -3,-1.9 -3,-0.0 -103,-0.0 -4,-0.0 -0.892 360.0 360.0 -99.0 360.0 29.6 4.9 39.5 119 !* 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 0.0 120 2 B S 0 0 84 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 158.6 -1.9 36.1 61.0 121 3 B T > - 0 0 77 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.404 360.0-105.4 -79.3 166.0 1.0 37.2 63.3 122 4 B I H > S+ 0 0 62 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.918 122.9 51.4 -59.9 -43.4 4.5 37.6 61.9 123 5 B E H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.922 111.3 47.7 -59.6 -43.2 5.6 34.3 63.5 124 6 B E H > S+ 0 0 103 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.896 110.9 51.4 -64.7 -39.3 2.6 32.5 62.0 125 7 B R H X S+ 0 0 69 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.903 109.3 49.8 -65.2 -42.8 3.4 34.0 58.6 126 8 B V H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.931 113.2 46.5 -60.4 -44.5 7.0 32.9 58.7 127 9 B K H X S+ 0 0 37 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.907 109.6 54.4 -66.1 -40.9 5.9 29.4 59.7 128 10 B K H X S+ 0 0 99 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.916 110.2 46.6 -56.5 -47.0 3.3 29.3 56.9 129 11 B I H X S+ 0 0 15 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.897 110.9 51.6 -65.7 -40.5 5.9 30.2 54.3 130 12 B I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.942 110.9 49.0 -60.3 -46.9 8.3 27.6 55.6 131 13 B G H X>S+ 0 0 4 -4,-2.8 5,-1.7 1,-0.2 4,-1.3 0.918 114.0 45.7 -58.4 -45.0 5.6 25.0 55.4 132 14 B E H <5S+ 0 0 133 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.936 115.5 44.8 -63.2 -49.3 4.7 26.0 51.8 133 15 B Q H <5S+ 0 0 74 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.881 122.6 36.3 -66.3 -39.4 8.3 26.2 50.6 134 16 B L H <5S- 0 0 23 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.570 105.9-127.1 -90.7 -11.5 9.4 22.9 52.2 135 17 B G T <5 + 0 0 64 -4,-1.3 2,-0.3 -5,-0.3 -3,-0.2 0.931 60.7 133.2 64.9 48.9 6.0 21.2 51.6 136 18 B V < - 0 0 30 -5,-1.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.908 62.0 -92.2-125.8 157.5 5.4 20.1 55.1 137 19 B K >> - 0 0 135 -2,-0.3 3,-2.0 1,-0.1 4,-0.6 -0.369 33.5-118.7 -66.9 144.0 2.3 20.3 57.3 138 20 B Q G >4 S+ 0 0 93 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.827 111.9 68.7 -49.7 -35.7 2.0 23.3 59.6 139 21 B E G 34 S+ 0 0 163 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.784 98.5 48.9 -52.6 -36.4 2.0 20.9 62.5 140 22 B E G <4 S+ 0 0 89 -3,-2.0 2,-2.1 1,-0.2 -1,-0.3 0.596 84.8 92.5 -83.7 -13.5 5.6 20.0 61.9 141 23 B V << + 0 0 4 -3,-1.3 2,-0.2 -4,-0.6 -1,-0.2 -0.454 57.2 161.0 -85.6 67.6 6.9 23.6 61.6 142 24 B T > - 0 0 66 -2,-2.1 3,-2.0 1,-0.1 42,-0.3 -0.559 53.0-109.1 -86.5 153.3 7.8 23.9 65.3 143 25 B N T 3 S+ 0 0 44 1,-0.3 42,-2.3 -2,-0.2 43,-0.2 0.835 116.9 52.3 -53.9 -37.0 10.2 26.6 66.4 144 26 B N T 3 S+ 0 0 123 40,-0.2 -1,-0.3 41,-0.1 -3,-0.1 0.674 83.7 122.3 -71.6 -16.7 13.1 24.2 67.1 145 27 B A < - 0 0 2 -3,-2.0 39,-2.6 38,-0.1 2,-0.4 -0.204 53.7-145.5 -65.9 130.9 12.9 22.5 63.6 146 28 B S B >> -G 183 0C 14 37,-0.2 4,-2.2 1,-0.1 5,-1.6 -0.786 12.9-137.8 -88.5 130.5 15.9 22.5 61.4 147 29 B F H >5S+ 0 0 1 35,-2.3 6,-2.6 -2,-0.4 4,-0.5 0.928 101.1 29.9 -53.7 -48.1 15.0 22.8 57.7 148 30 B V H >5S+ 0 0 86 34,-0.5 4,-0.5 4,-0.2 -1,-0.2 0.941 125.7 40.0 -79.9 -51.0 17.5 20.1 56.7 149 31 B E H 45S+ 0 0 165 1,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.786 133.9 16.9 -74.4 -26.5 17.7 17.8 59.7 150 32 B D H <5S+ 0 0 96 -4,-2.2 -3,-0.2 1,-0.0 -2,-0.1 0.724 125.7 44.0-116.7 -32.7 14.0 17.8 60.5 151 33 B L H < - 0 0 82 -2,-0.1 4,-1.8 0, 0.0 5,-0.1 -0.565 40.9 -87.6-112.4-170.0 17.9 20.5 50.8 155 37 B S H > S+ 0 0 63 1,-0.2 4,-2.1 -2,-0.2 5,-0.1 0.804 126.7 51.2 -74.0 -26.8 20.0 23.5 50.1 156 38 B L H > S+ 0 0 70 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.891 108.4 51.1 -73.8 -41.0 17.9 24.7 47.1 157 39 B D H > S+ 0 0 55 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.900 110.8 51.5 -56.3 -42.4 14.7 24.5 49.2 158 40 B T H X S+ 0 0 18 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.938 109.2 48.0 -62.9 -48.8 16.6 26.6 51.8 159 41 B V H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.922 112.9 48.6 -56.1 -46.5 17.6 29.2 49.2 160 42 B E H X S+ 0 0 66 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.868 109.9 52.8 -62.9 -36.8 14.0 29.4 47.9 161 43 B L H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.927 109.8 47.0 -64.4 -45.9 12.7 29.7 51.4 162 44 B V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.928 111.8 52.2 -61.1 -42.8 15.0 32.6 52.1 163 45 B M H X S+ 0 0 42 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.863 108.3 50.8 -60.0 -38.5 13.9 34.2 48.8 164 46 B A H X S+ 0 0 22 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.859 110.0 49.2 -70.8 -36.1 10.3 33.9 49.7 165 47 B L H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.909 109.0 53.6 -65.7 -43.2 10.9 35.5 53.1 166 48 B E H X>S+ 0 0 21 -4,-2.6 5,-2.1 1,-0.2 4,-0.5 0.915 112.6 44.0 -55.5 -44.8 12.8 38.4 51.3 167 49 B E H <5S+ 0 0 160 -4,-2.0 3,-0.5 3,-0.2 -2,-0.2 0.919 115.1 46.6 -69.4 -44.8 9.8 38.9 49.0 168 50 B E H <5S+ 0 0 100 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.913 120.8 36.8 -66.4 -41.3 7.1 38.7 51.7 169 51 B F H <5S- 0 0 36 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.349 105.5-124.8 -99.5 7.6 8.9 41.0 54.2 170 52 B D T <5 + 0 0 151 -4,-0.5 2,-0.3 -3,-0.5 -3,-0.2 0.928 67.0 123.0 58.8 51.5 10.3 43.4 51.6 171 53 B T < - 0 0 33 -5,-2.1 2,-0.6 -6,-0.2 -1,-0.2 -0.996 60.0-132.3-149.3 138.0 13.9 43.0 52.6 172 54 B E - 0 0 163 -2,-0.3 -9,-0.0 -3,-0.1 -5,-0.0 -0.820 24.0-152.7 -88.6 122.3 17.2 41.9 51.1 173 55 B I - 0 0 0 -2,-0.6 -7,-0.1 -11,-0.1 5,-0.0 -0.861 17.7-123.5 -99.4 119.1 19.0 39.5 53.4 174 56 B P >> - 0 0 63 0, 0.0 4,-3.0 0, 0.0 3,-0.7 -0.290 21.5-117.7 -58.2 144.9 22.8 39.5 53.1 175 57 B D H 3> S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.858 112.4 56.6 -49.0 -46.4 24.4 36.1 52.2 176 58 B E H 34 S+ 0 0 107 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.869 115.9 36.7 -59.3 -36.7 26.4 35.9 55.4 177 59 B E H X4 S+ 0 0 63 -3,-0.7 3,-1.2 2,-0.2 4,-0.3 0.868 113.0 56.3 -84.4 -38.3 23.2 36.2 57.5 178 60 B A H >< S+ 0 0 1 -4,-3.0 3,-1.6 1,-0.3 -2,-0.2 0.854 98.6 63.8 -58.5 -37.3 21.0 34.2 55.1 179 61 B E T 3< S+ 0 0 98 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.725 99.3 54.6 -59.9 -23.4 23.5 31.3 55.5 180 62 B K T < S+ 0 0 134 -3,-1.2 2,-1.5 -4,-0.3 3,-0.3 0.508 79.3 97.7 -91.4 -5.0 22.6 31.1 59.2 181 63 B I < + 0 0 5 -3,-1.6 -1,-0.1 -4,-0.3 -19,-0.1 -0.641 41.7 128.1 -85.8 88.2 18.8 30.8 58.6 182 64 B T + 0 0 72 -2,-1.5 -35,-2.3 -35,-0.1 -34,-0.5 0.405 59.6 48.0-124.8 -5.1 18.7 27.0 59.0 183 65 B T B > S-G 146 0C 37 -37,-0.3 4,-2.1 -3,-0.3 -37,-0.2 -0.920 84.4-110.0-134.4 161.7 15.9 26.6 61.6 184 66 B V H > S+ 0 0 0 -39,-2.6 4,-2.4 -42,-0.3 5,-0.2 0.945 119.7 49.1 -54.4 -51.3 12.4 27.9 62.1 185 67 B Q H > S+ 0 0 64 -42,-2.3 4,-3.2 1,-0.2 -1,-0.2 0.892 107.4 55.5 -58.5 -41.5 13.5 30.0 65.1 186 68 B A H > S+ 0 0 25 -43,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.904 109.4 46.7 -57.6 -44.4 16.4 31.4 63.1 187 69 B A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.937 114.1 46.9 -63.6 -46.8 14.0 32.6 60.4 188 70 B I H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.927 113.7 49.4 -59.5 -45.8 11.6 34.1 63.0 189 71 B D H X S+ 0 0 90 -4,-3.2 4,-2.1 -5,-0.2 -1,-0.2 0.878 110.9 48.3 -63.7 -41.6 14.5 35.8 64.8 190 72 B Y H X S+ 0 0 23 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.942 112.8 48.1 -66.1 -46.2 16.0 37.3 61.7 191 73 B I H < S+ 0 0 2 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.950 116.6 41.9 -59.9 -50.7 12.7 38.7 60.5 192 74 B N H < S+ 0 0 85 -4,-2.5 3,-0.2 -5,-0.2 -1,-0.2 0.875 120.7 43.8 -59.6 -38.5 11.8 40.2 63.9 193 75 B G H < S+ 0 0 57 -4,-2.1 2,-0.5 -5,-0.2 -1,-0.2 0.633 107.0 57.3 -89.3 -15.5 15.3 41.5 64.5 194 76 B H < + 0 0 77 -4,-1.9 -1,-0.2 -3,-0.3 -4,-0.0 -0.675 54.3 133.7-121.4 77.2 16.2 43.0 61.1 195 77 B Q 0 0 134 -2,-0.5 -1,-0.1 -3,-0.2 -2,-0.1 0.231 360.0 360.0-108.3 8.7 13.6 45.6 60.2 196 78 B A 0 0 158 -3,-0.1 -3,-0.0 -25,-0.0 -2,-0.0 -0.567 360.0 360.0 -84.1 360.0 16.1 48.3 59.1