==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-NOV-05 2C79 . COMPND 2 MOLECULE: GLYCOSIDE HYDROLASE, FAMILY 11\:CLOSTRIDIUM . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR E.J.TAYLOR,P.J.TURKENBURG,F.VINCENT,A.M.BRZOZOWSKI, . 205 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8808.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 0 0.0 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 . 17 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.9 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 1 0 1 1 0 1 0 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 0 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 1 480 A K 0 0 115 0, 0.0 176,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 118.3 -13.2 34.4 6.9 2 481 A L E +a 177 0A 26 174,-0.2 143,-3.4 182,-0.1 144,-0.4 -0.871 360.0 178.4-116.3 144.6 -10.4 33.1 4.6 3 482 A V E -a 178 0A 0 174,-1.8 176,-2.5 -2,-0.4 2,-0.5 -0.961 20.5-139.9-133.8 158.3 -7.6 30.5 5.1 4 483 A A E -b 147 0B 0 142,-2.2 144,-3.1 -2,-0.3 2,-0.5 -0.961 10.7-154.2-118.7 112.5 -4.9 29.2 2.7 5 484 A L E -b 148 0B 0 -2,-0.5 26,-2.0 24,-0.4 2,-0.3 -0.754 22.9-177.3 -83.4 121.2 -4.2 25.5 2.8 6 485 A T E -bc 149 31B 0 142,-2.2 144,-2.4 -2,-0.5 2,-0.4 -0.917 14.0-156.2-126.8 150.1 -0.6 24.9 1.6 7 486 A F E -bc 150 32B 0 24,-2.1 26,-3.0 -2,-0.3 144,-0.3 -0.984 8.1-162.2-134.1 124.0 1.5 21.8 1.1 8 487 A D E +bc 151 33B 5 142,-2.5 144,-1.7 -2,-0.4 145,-1.4 -0.633 57.0 36.8 -94.1 154.8 5.2 21.4 1.1 9 488 A D E S+ 0 0 18 24,-1.1 -1,-0.1 1,-0.3 25,-0.1 0.455 90.1 76.0 104.2 9.5 7.6 18.8 -0.1 10 489 A G E + c 0 34B 0 23,-0.5 25,-2.9 -3,-0.3 -1,-0.3 -0.382 32.8 160.4-111.6-166.9 6.3 17.4 -3.4 11 490 A P + 0 0 1 0, 0.0 2,-0.4 0, 0.0 3,-0.1 0.350 46.7 159.9 -85.0 151.1 5.4 16.6 -6.1 12 491 A D >> - 0 0 39 1,-0.1 4,-2.4 -2,-0.1 5,-0.7 -0.992 37.8-139.7-132.5 123.8 5.1 12.9 -5.6 13 492 A N H >5S+ 0 0 67 -2,-0.4 4,-0.6 1,-0.2 -1,-0.1 0.859 101.0 32.9 -53.1 -38.6 2.9 11.0 -8.0 14 493 A V H >5S+ 0 0 86 2,-0.1 4,-1.3 3,-0.1 -1,-0.2 0.961 125.9 36.4 -82.6 -56.3 1.5 8.8 -5.3 15 494 A L H >5S+ 0 0 13 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.899 117.7 49.6 -72.0 -37.8 1.4 11.0 -2.2 16 495 A T H X5S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.884 106.1 57.4 -66.8 -37.8 0.5 14.3 -3.9 17 496 A A H XS+ 0 0 1 -4,-2.5 5,-2.3 1,-0.2 4,-0.5 0.882 110.5 49.2 -66.6 -34.5 -9.2 18.6 -2.7 24 503 A D H ><5S+ 0 0 81 -4,-2.2 3,-0.7 -5,-0.2 -1,-0.2 0.922 107.6 55.3 -66.2 -40.6 -11.3 17.4 -5.6 25 504 A K H 3<5S+ 0 0 131 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.888 118.7 32.0 -58.7 -41.7 -13.8 15.7 -3.2 26 505 A Y H 3<5S- 0 0 48 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.350 105.8-124.2 -97.1 -0.8 -14.4 18.9 -1.3 27 506 A N T <<5 + 0 0 132 -3,-0.7 2,-0.4 -4,-0.5 -3,-0.2 0.930 58.8 152.4 54.3 49.6 -14.0 21.3 -4.3 28 507 A V < - 0 0 11 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.2 -0.905 39.4-139.3-112.7 144.2 -11.3 23.2 -2.5 29 508 A K + 0 0 76 149,-0.4 -24,-0.4 -2,-0.4 2,-0.3 -0.729 27.9 167.7 -98.1 150.3 -8.3 25.1 -3.9 30 509 A A - 0 0 0 -2,-0.3 26,-2.1 20,-0.1 2,-0.4 -0.854 31.2-111.3-147.4-179.2 -4.8 25.1 -2.3 31 510 A T E -cd 6 56B 0 -26,-2.0 -24,-2.1 -2,-0.3 2,-0.5 -0.986 18.5-154.2-126.2 133.7 -1.2 26.0 -2.9 32 511 A F E -cd 7 57B 0 24,-2.7 26,-3.0 -2,-0.4 2,-0.8 -0.946 3.4-156.3-110.1 121.7 1.7 23.5 -3.4 33 512 A M E -cd 8 58B 1 -26,-3.0 -24,-1.1 -2,-0.5 -23,-0.5 -0.876 29.4-159.3 -98.7 102.7 5.2 24.7 -2.5 34 513 A V E -cd 10 59B 2 24,-2.4 26,-2.9 -2,-0.8 2,-0.5 -0.568 18.3-129.3 -99.2 156.0 7.3 22.3 -4.7 35 514 A V > - 0 0 0 -25,-2.9 3,-2.0 -2,-0.2 4,-0.4 -0.869 17.4-139.4-105.3 123.1 10.9 21.1 -4.6 36 515 A G G > S+ 0 0 1 25,-2.3 3,-1.9 -2,-0.5 26,-0.2 0.853 98.2 63.1 -55.9 -39.3 12.7 21.5 -8.0 37 516 A Q G 3 S+ 0 0 100 25,-2.4 -1,-0.3 1,-0.3 26,-0.1 0.730 104.9 49.5 -52.7 -27.4 14.5 18.2 -7.8 38 517 A R G < S+ 0 0 79 -3,-2.0 2,-0.8 -28,-0.2 -1,-0.3 0.533 89.1 91.3 -93.2 -7.1 11.1 16.4 -7.8 39 518 A V < + 0 0 5 -3,-1.9 2,-0.2 -4,-0.4 -1,-0.0 -0.806 57.6 117.9 -98.1 109.4 9.7 18.3 -10.8 40 519 A N S >> S- 0 0 70 -2,-0.8 4,-0.9 46,-0.0 3,-0.9 -0.831 81.1 -68.2-156.6-174.3 10.5 16.3 -14.0 41 520 A D G >4 S+ 0 0 126 1,-0.3 3,-0.5 -2,-0.2 4,-0.5 0.853 128.3 57.0 -59.1 -35.0 8.9 14.5 -16.9 42 521 A S G 34 S+ 0 0 82 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.821 117.1 33.3 -63.2 -32.9 7.6 11.8 -14.5 43 522 A T G <> S+ 0 0 10 -3,-0.9 4,-2.3 1,-0.1 -1,-0.2 0.346 89.4 102.0-107.5 10.3 5.8 14.4 -12.4 44 523 A A H S+ 0 0 78 -4,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.863 111.6 47.3 -65.3 -37.3 1.2 15.7 -15.4 46 525 A I H > S+ 0 0 11 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.882 111.8 51.0 -76.1 -32.0 0.5 15.9 -11.7 47 526 A I H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 3,-0.3 0.933 112.9 47.2 -62.9 -44.1 2.1 19.4 -11.6 48 527 A R H X S+ 0 0 104 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.887 104.2 60.9 -66.5 -36.1 -0.2 20.3 -14.5 49 528 A R H X S+ 0 0 59 -4,-2.4 4,-1.6 1,-0.2 6,-0.3 0.865 99.7 57.0 -56.6 -37.4 -3.1 18.8 -12.7 50 529 A M H ><>S+ 0 0 0 -4,-1.4 5,-2.4 -3,-0.3 3,-0.5 0.975 111.6 40.8 -58.3 -53.3 -2.6 21.4 -9.9 51 530 A V H ><5S+ 0 0 44 -4,-1.4 3,-2.2 1,-0.2 -2,-0.2 0.939 112.8 54.6 -57.4 -47.7 -2.9 24.2 -12.3 52 531 A N H 3<5S+ 0 0 118 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.771 108.1 50.6 -59.4 -28.7 -5.8 22.6 -14.2 53 532 A S T <<5S- 0 0 42 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.248 122.9-100.1 -97.6 6.9 -7.7 22.3 -10.9 54 533 A G T < 5S+ 0 0 29 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.1 0.529 78.0 135.1 87.7 4.5 -7.3 25.9 -9.8 55 534 A H < - 0 0 12 -5,-2.4 2,-0.3 -6,-0.3 -1,-0.3 -0.414 48.7-128.6 -80.7 164.4 -4.4 25.3 -7.3 56 535 A E E -d 31 0B 23 -26,-2.1 -24,-2.7 -2,-0.1 2,-0.5 -0.842 11.0-142.8-110.1 153.0 -1.4 27.5 -7.2 57 536 A I E +d 32 0B 5 -2,-0.3 38,-0.3 -26,-0.2 39,-0.2 -0.966 20.2 178.8-117.9 129.9 2.3 26.5 -7.3 58 537 A G E -d 33 0B 0 -26,-3.0 -24,-2.4 -2,-0.5 2,-0.5 -0.624 32.5 -94.4-119.6-178.0 5.0 28.2 -5.2 59 538 A N E +de 34 97B 0 37,-2.6 39,-2.5 -26,-0.2 -24,-0.2 -0.857 31.5 171.1-108.3 123.4 8.7 27.6 -4.8 60 539 A H - 0 0 11 -26,-2.9 -25,-0.1 -2,-0.5 -1,-0.1 -0.042 60.6 -95.5-115.7 26.4 10.2 25.4 -1.9 61 540 A S - 0 0 2 -27,-0.2 -25,-2.3 1,-0.2 -1,-0.4 0.043 40.7 -76.3 86.7 165.8 13.8 25.5 -3.4 62 541 A W S S- 0 0 84 -27,-0.3 -25,-2.4 -26,-0.2 2,-0.2 0.793 108.5 -2.8 -67.1 -27.6 15.6 23.0 -5.6 63 542 A S S S- 0 0 30 2,-0.2 -27,-0.1 -27,-0.2 -25,-0.0 -0.468 84.5 -81.7-145.2-153.9 16.2 20.6 -2.7 64 543 A Y S S+ 0 0 93 -2,-0.2 2,-0.3 -29,-0.1 -3,-0.1 0.127 78.8 117.1-115.0 15.2 15.7 20.0 1.1 65 544 A S S S- 0 0 66 1,-0.1 -2,-0.2 2,-0.0 -3,-0.1 -0.681 71.4-109.3 -89.0 138.4 18.7 22.0 2.5 66 545 A G - 0 0 27 -2,-0.3 3,-0.1 1,-0.1 35,-0.1 -0.373 28.4-161.0 -58.8 144.0 18.3 25.0 4.7 67 546 A M > + 0 0 0 33,-0.5 3,-1.7 36,-0.4 -1,-0.1 0.395 60.8 100.3-114.0 0.8 19.3 28.2 2.8 68 547 A A T 3 S+ 0 0 15 1,-0.3 40,-0.3 32,-0.2 39,-0.2 0.797 92.7 38.2 -63.4 -29.7 20.0 30.8 5.4 69 548 A N T 3 S+ 0 0 164 -3,-0.1 -1,-0.3 38,-0.1 2,-0.1 0.200 91.5 115.2-106.4 13.9 23.8 30.3 5.2 70 549 A M < - 0 0 44 -3,-1.7 -3,-0.1 1,-0.1 37,-0.0 -0.455 68.8-108.6 -79.0 161.7 24.0 29.8 1.4 71 550 A S > - 0 0 45 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.388 31.7-105.0 -81.8 161.7 25.8 32.3 -0.8 72 551 A P H > S+ 0 0 50 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.901 123.2 50.7 -52.8 -40.4 23.9 34.6 -3.2 73 552 A D H > S+ 0 0 112 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.901 110.9 48.5 -67.1 -39.4 24.9 32.4 -6.2 74 553 A Q H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.929 114.7 45.6 -64.6 -42.3 23.7 29.2 -4.4 75 554 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.948 112.6 49.8 -63.7 -51.6 20.4 30.8 -3.5 76 555 A R H X S+ 0 0 121 -4,-2.9 4,-2.6 -5,-0.2 5,-0.3 0.894 112.0 48.6 -55.7 -42.8 19.9 32.3 -7.0 77 556 A K H X S+ 0 0 132 -4,-2.2 4,-2.6 -5,-0.2 5,-0.3 0.932 110.9 49.7 -64.2 -46.8 20.6 28.9 -8.7 78 557 A S H X S+ 0 0 16 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.939 117.1 40.3 -59.8 -46.7 18.3 27.0 -6.4 79 558 A I H X S+ 0 0 15 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.887 117.4 47.5 -69.6 -42.3 15.3 29.4 -6.9 80 559 A A H X S+ 0 0 51 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.916 111.2 49.7 -68.6 -42.9 15.9 29.9 -10.7 81 560 A D H X S+ 0 0 55 -4,-2.6 4,-1.6 -5,-0.3 -1,-0.2 0.872 112.5 48.7 -64.2 -37.7 16.2 26.2 -11.5 82 561 A T H X S+ 0 0 0 -4,-1.4 4,-2.3 -5,-0.3 5,-0.2 0.927 111.1 49.5 -67.5 -46.4 13.0 25.5 -9.5 83 562 A N H X S+ 0 0 35 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.894 107.6 55.8 -56.0 -40.1 11.1 28.3 -11.3 84 563 A A H X S+ 0 0 62 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.897 109.5 44.2 -64.8 -40.3 12.4 27.0 -14.7 85 564 A V H X S+ 0 0 26 -4,-1.6 4,-1.8 2,-0.2 5,-0.3 0.896 112.5 51.9 -74.5 -35.3 11.0 23.5 -14.2 86 565 A I H X>S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.9 0.952 111.3 48.5 -61.1 -45.3 7.7 24.8 -12.8 87 566 A Q H X5S+ 0 0 97 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.926 108.4 55.4 -60.3 -41.0 7.4 27.0 -15.9 88 567 A K H <5S+ 0 0 141 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.880 123.7 20.7 -59.2 -44.6 8.1 24.1 -18.2 89 568 A Y H <5S+ 0 0 31 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.741 134.3 34.4-103.0 -25.7 5.4 21.8 -17.0 90 569 A A H <5S- 0 0 2 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.705 89.0-136.8 -99.3 -26.9 2.9 24.1 -15.3 91 570 A G S < - 0 0 0 0, 0.0 3,-2.5 0, 0.0 5,-0.1 -0.361 30.4-101.0 -64.0 136.9 12.2 28.7 2.9 100 579 A P G > S+ 0 0 3 0, 0.0 3,-1.9 0, 0.0 -33,-0.5 -0.329 108.8 1.8 -52.4 131.9 13.4 25.2 3.6 101 580 A N G 3 S- 0 0 105 1,-0.3 3,-0.1 -35,-0.1 -35,-0.1 0.579 118.0 -86.8 63.9 12.4 13.0 24.6 7.4 102 581 A L G < S+ 0 0 61 -3,-2.5 2,-0.6 1,-0.2 -1,-0.3 0.688 86.4 151.6 57.8 24.1 11.5 28.1 7.6 103 582 A E < + 0 0 92 -3,-1.9 -36,-0.4 -4,-0.0 2,-0.3 -0.725 17.8 172.3 -92.1 124.0 15.1 29.3 8.0 104 583 A T + 0 0 56 -2,-0.6 -36,-0.1 -3,-0.1 3,-0.1 -0.782 14.9 177.5-122.9 167.7 15.8 32.8 6.8 105 584 A S > - 0 0 19 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.944 47.8-100.4-152.6 166.2 18.6 35.4 6.9 106 585 A P H > S+ 0 0 110 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.898 124.4 54.4 -55.9 -40.5 19.1 38.9 5.4 107 586 A T H > S+ 0 0 61 -39,-0.2 4,-1.4 2,-0.2 -38,-0.1 0.906 107.9 48.7 -61.8 -40.9 21.1 37.3 2.6 108 587 A L H >> S+ 0 0 0 -40,-0.3 4,-0.7 1,-0.2 3,-0.7 0.966 113.5 46.2 -63.8 -48.6 18.2 34.9 1.8 109 588 A F H >< S+ 0 0 29 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.903 111.5 53.8 -57.7 -38.5 15.7 37.8 1.8 110 589 A N H 3< S+ 0 0 131 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.784 112.9 41.7 -66.5 -26.7 18.0 39.8 -0.4 111 590 A N H << S+ 0 0 31 -4,-1.4 2,-0.5 -3,-0.7 -1,-0.2 0.305 98.9 75.4-112.4 7.3 18.4 37.2 -3.1 112 591 A V << - 0 0 1 -3,-0.7 2,-1.1 -4,-0.7 -1,-0.1 -0.965 56.7-164.1-123.5 111.7 14.9 35.9 -3.5 113 592 A D + 0 0 123 -2,-0.5 2,-0.3 2,-0.1 82,-0.1 -0.453 61.0 93.3 -88.7 55.2 12.4 38.1 -5.4 114 593 A L S S- 0 0 13 -2,-1.1 2,-0.4 80,-0.3 -18,-0.2 -0.936 86.5 -94.5-138.8 158.9 9.3 36.2 -4.2 115 594 A V E -f 96 0B 1 -20,-2.5 -18,-2.8 -2,-0.3 2,-0.4 -0.686 43.2-129.9 -79.6 128.4 7.0 36.8 -1.2 116 595 A F E -fg 97 199B 0 82,-0.5 84,-2.9 80,-0.4 2,-0.4 -0.666 26.9-172.6 -85.4 130.7 8.1 34.6 1.7 117 596 A V E + g 0 200B 0 -20,-2.5 84,-0.2 -2,-0.4 -15,-0.1 -0.969 18.4 158.6-125.2 142.5 5.5 32.5 3.4 118 597 A G + 0 0 0 82,-3.0 83,-0.2 -2,-0.4 2,-0.2 0.314 22.7 173.0-116.4-106.2 5.6 30.4 6.6 119 598 A G - 0 0 12 29,-0.1 2,-0.4 80,-0.1 29,-0.2 -0.528 39.5 -39.3 122.5 170.8 2.3 29.5 8.3 120 599 A L B -h 148 0B 49 27,-2.9 29,-3.1 81,-0.4 2,-0.2 -0.579 58.2-150.6 -67.9 121.9 0.6 27.6 11.1 121 600 A T - 0 0 55 -2,-0.4 29,-0.1 27,-0.2 20,-0.0 -0.560 14.3-162.6 -96.1 167.8 2.2 24.1 11.4 122 601 A A - 0 0 3 27,-0.5 15,-0.2 -2,-0.2 16,-0.2 0.059 45.2-106.1-140.5 23.7 0.5 20.9 12.5 123 602 A N S > S+ 0 0 79 1,-0.1 3,-1.3 14,-0.1 6,-0.2 0.750 71.2 144.1 54.7 29.9 3.2 18.4 13.4 124 603 A D T 3 + 0 0 0 1,-0.3 36,-0.2 10,-0.1 -1,-0.1 0.328 58.0 68.0 -90.6 10.9 2.4 16.5 10.2 125 604 A W T 3 S+ 0 0 104 29,-0.0 -1,-0.3 25,-0.0 -2,-0.1 0.262 82.7 86.5 -97.0 4.8 6.1 15.6 9.6 126 605 A I X - 0 0 60 -3,-1.3 3,-2.2 1,-0.1 -1,-0.0 -0.908 69.1-157.4-109.8 100.4 5.9 13.3 12.7 127 606 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.738 86.4 65.6 -54.9 -22.8 4.6 9.9 11.5 128 607 A S T 3 S+ 0 0 103 2,-0.1 2,-0.3 30,-0.1 30,-0.1 0.629 82.8 93.1 -73.0 -14.1 3.4 8.9 14.9 129 608 A T S < S- 0 0 21 -3,-2.2 2,-0.0 -6,-0.2 -3,-0.0 -0.665 73.7-132.9 -85.3 140.1 0.8 11.7 14.9 130 609 A T > - 0 0 62 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.246 21.6-104.0 -89.9 170.7 -2.7 10.7 13.6 131 610 A A H > S+ 0 0 21 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.908 123.0 51.6 -55.0 -44.3 -5.1 12.2 11.1 132 611 A E H > S+ 0 0 142 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.893 109.9 48.1 -64.9 -38.9 -7.2 13.4 14.0 133 612 A Q H > S+ 0 0 106 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 111.9 49.3 -68.1 -41.6 -4.3 15.0 15.8 134 613 A R H X S+ 0 0 1 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.941 113.1 47.7 -61.8 -44.0 -3.1 16.8 12.6 135 614 A A H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.933 110.6 51.2 -62.8 -44.5 -6.7 18.1 12.0 136 615 A A H X S+ 0 0 44 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.882 107.0 54.4 -62.2 -38.7 -7.1 19.3 15.7 137 616 A A H X S+ 0 0 36 -4,-2.2 4,-0.8 -15,-0.2 -1,-0.2 0.926 115.5 39.3 -60.8 -44.4 -3.8 21.2 15.4 138 617 A V H >X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 3,-0.9 0.969 115.0 50.2 -69.3 -51.5 -5.0 23.0 12.3 139 618 A I H 3< S+ 0 0 13 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.857 114.0 44.7 -59.5 -38.9 -8.7 23.6 13.4 140 619 A N H 3< S+ 0 0 130 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.682 115.9 47.6 -80.4 -14.7 -7.7 25.0 16.8 141 620 A G H << S+ 0 0 35 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.675 87.6 100.5 -98.2 -20.7 -5.0 27.3 15.4 142 621 A V < + 0 0 17 -4,-1.8 2,-0.3 -5,-0.1 -139,-0.1 -0.233 37.8 166.5 -71.1 156.4 -6.6 29.0 12.5 143 622 A R > - 0 0 130 -141,-0.1 3,-2.2 0, 0.0 2,-0.2 -0.898 54.9 -57.0-145.1 176.6 -8.0 32.4 12.4 144 623 A D T 3 S+ 0 0 73 -2,-0.3 -141,-0.2 1,-0.3 32,-0.0 -0.422 127.9 17.7 -56.9 123.0 -9.2 34.7 9.5 145 624 A G T 3 S+ 0 0 0 -143,-3.4 58,-1.6 1,-0.3 -1,-0.3 0.354 87.6 151.6 97.4 -4.2 -6.1 35.1 7.2 146 625 A T B < -I 202 0C 5 -3,-2.2 -142,-2.2 -144,-0.4 2,-0.6 -0.409 38.4-146.1 -64.0 138.6 -4.1 32.1 8.5 147 626 A I E -b 4 0B 0 54,-2.0 -27,-2.9 -144,-0.2 2,-0.6 -0.906 18.3-147.6 -96.2 123.4 -1.7 30.3 6.1 148 627 A I E -bh 5 120B 0 -144,-3.1 -142,-2.2 -2,-0.6 2,-0.7 -0.864 4.4-152.8 -97.8 122.8 -1.7 26.6 7.0 149 628 A L E +b 6 0B 7 -29,-3.1 -27,-0.5 -2,-0.6 2,-0.2 -0.859 30.3 150.7-100.9 107.5 1.6 24.8 6.5 150 629 A L E -b 7 0B 0 -144,-2.4 -142,-2.5 -2,-0.7 2,-0.5 -0.729 39.3-121.1-118.9 175.5 1.1 21.0 5.8 151 630 A H E -b 8 0B 19 -144,-0.3 -142,-0.2 -2,-0.2 9,-0.1 -0.982 13.7-170.2-118.5 130.2 3.1 18.5 3.8 152 631 A D S S+ 0 0 1 -144,-1.7 2,-0.5 -2,-0.5 -143,-0.2 0.781 84.3 45.3 -80.6 -21.7 1.8 16.6 0.9 153 632 A V + 0 0 8 -145,-1.4 -1,-0.2 -137,-0.1 -145,-0.0 -0.975 68.1 126.9-129.6 124.9 5.0 14.5 0.9 154 633 A Q - 0 0 36 -2,-0.5 -28,-0.0 -3,-0.1 -29,-0.0 -0.944 65.0 -74.7-157.2 162.1 6.7 12.9 4.0 155 634 A P S S- 0 0 92 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.332 78.0 -64.4 -56.8 146.0 7.9 9.5 5.0 156 635 A E S S+ 0 0 110 2,-0.1 2,-0.1 3,-0.0 -3,-0.0 -0.438 110.2 61.5 -90.1 161.5 4.9 7.2 6.0 157 636 A P S S+ 0 0 88 0, 0.0 -28,-0.2 0, 0.0 0, 0.0 0.447 70.4 159.9 -58.7 140.6 2.7 6.8 7.8 158 637 A H + 0 0 9 -2,-0.1 2,-0.9 -30,-0.1 4,-0.2 -0.545 12.8 172.3-140.4 71.3 1.6 10.2 6.5 159 638 A P > + 0 0 24 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.010 39.7 119.7 -78.5 35.4 -2.2 10.6 7.2 160 639 A T H > S+ 0 0 0 -2,-0.9 4,-1.4 2,-0.2 -8,-0.1 0.913 73.6 52.8 -63.6 -43.2 -2.3 14.3 6.0 161 640 A P H >> S+ 0 0 3 0, 0.0 3,-0.7 0, 0.0 4,-0.7 0.942 110.2 49.5 -56.1 -42.9 -4.9 13.5 3.3 162 641 A E H >4 S+ 0 0 85 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.866 103.2 59.8 -65.3 -34.3 -7.1 11.9 5.9 163 642 A A H >X S+ 0 0 1 -4,-1.9 4,-2.8 1,-0.2 3,-1.6 0.837 95.5 64.4 -58.5 -35.6 -6.7 14.9 8.2 164 643 A L H S+ 0 0 67 -3,-1.6 4,-2.1 -4,-0.4 5,-0.3 0.767 119.8 51.6-100.3 -47.2 -11.9 16.7 9.2 167 646 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.921 109.7 47.3 -58.3 -49.5 -10.2 20.0 8.5 168 647 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.968 116.2 40.5 -66.8 -52.8 -12.1 21.0 5.4 169 648 A P H > S+ 0 0 45 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.914 116.6 51.2 -60.2 -41.2 -15.7 20.2 6.6 170 649 A T H X S+ 0 0 41 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.937 112.7 43.8 -61.8 -49.8 -15.0 21.7 10.1 171 650 A L H <>S+ 0 0 0 -4,-2.7 5,-2.4 -5,-0.3 3,-0.5 0.905 113.0 51.6 -67.0 -39.4 -13.6 25.0 8.8 172 651 A K H ><5S+ 0 0 85 -4,-2.5 3,-1.8 -5,-0.3 -1,-0.2 0.917 107.3 53.8 -58.3 -41.5 -16.4 25.3 6.2 173 652 A S H 3<5S+ 0 0 109 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.774 105.7 54.8 -67.3 -21.1 -19.0 24.8 8.9 174 653 A R T 3<5S- 0 0 115 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.287 128.4 -95.7 -91.2 5.6 -17.4 27.6 10.9 175 654 A G T < 5S+ 0 0 46 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.547 77.5 140.3 98.1 5.0 -17.7 30.0 8.0 176 655 A Y < - 0 0 21 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.3 -0.558 34.9-158.0 -83.0 149.6 -14.2 29.7 6.5 177 656 A E E -a 2 0A 124 -176,-2.2 -174,-1.8 -2,-0.2 2,-0.4 -0.991 17.9-128.4-124.0 137.6 -13.5 29.6 2.7 178 657 A F E +a 3 0A 17 -2,-0.4 -149,-0.4 -176,-0.2 2,-0.3 -0.668 33.2 172.0 -90.4 133.0 -10.3 28.1 1.3 179 658 A V - 0 0 9 -176,-2.5 -174,-0.4 -2,-0.4 -148,-0.1 -0.903 33.7-106.0-136.7 160.4 -8.3 30.2 -1.1 180 659 A T > - 0 0 7 -2,-0.3 4,-2.7 -150,-0.1 5,-0.1 -0.322 43.8-102.7 -73.7 170.6 -4.9 30.0 -2.9 181 660 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.937 124.3 49.7 -61.4 -43.5 -2.1 32.3 -1.6 182 661 A T H > S+ 0 0 31 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.924 112.6 47.7 -60.4 -42.9 -2.6 34.8 -4.5 183 662 A E H > S+ 0 0 67 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.904 108.0 55.6 -64.1 -40.4 -6.4 34.8 -3.8 184 663 A L H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 6,-0.2 0.939 113.0 40.8 -58.2 -50.1 -5.7 35.3 -0.0 185 664 A F H X>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 4,-0.5 0.954 117.6 48.3 -61.0 -47.1 -3.6 38.5 -0.7 186 665 A T H ><5S+ 0 0 94 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.931 111.5 47.7 -63.5 -46.1 -6.0 39.7 -3.4 187 666 A L H 3<5S+ 0 0 114 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.792 114.0 48.3 -69.4 -25.0 -9.2 39.3 -1.5 188 667 A K H 3<5S- 0 0 66 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.460 113.4-118.6 -90.0 -3.7 -7.6 41.0 1.6 189 668 A G T <<5 + 0 0 64 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.756 65.6 141.9 71.7 28.6 -6.3 43.9 -0.5 190 669 A V < - 0 0 29 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.878 53.3-122.4-103.7 118.5 -2.7 43.2 0.3 191 670 A P - 0 0 99 0, 0.0 2,-1.3 0, 0.0 -5,-0.0 -0.347 17.1-126.3 -57.7 141.0 -0.3 43.8 -2.7 192 671 A I + 0 0 46 -77,-0.0 -77,-0.0 -10,-0.0 -10,-0.0 -0.783 49.8 165.2 -87.9 93.1 1.7 40.7 -3.5 193 672 A D > - 0 0 62 -2,-1.3 3,-2.0 1,-0.1 -79,-0.1 -0.914 33.9-165.3-127.0 103.5 5.0 42.6 -3.3 194 673 A P T 3 S+ 0 0 32 0, 0.0 -80,-0.3 0, 0.0 -1,-0.1 0.568 84.5 77.0 -68.5 -5.6 8.3 40.8 -3.0 195 674 A S T 3 S+ 0 0 82 -82,-0.1 2,-0.7 2,-0.1 -80,-0.0 0.648 73.3 92.5 -76.9 -13.2 10.1 44.0 -1.9 196 675 A V < - 0 0 41 -3,-2.0 2,-0.9 1,-0.1 -80,-0.4 -0.734 67.9-161.5 -76.5 116.2 8.5 43.3 1.5 197 676 A K + 0 0 74 -2,-0.7 2,-0.3 -82,-0.1 -1,-0.1 -0.445 51.2 104.7-107.1 57.7 11.2 41.3 3.2 198 677 A R S S- 0 0 151 -2,-0.9 -82,-0.5 -82,-0.1 2,-0.5 -0.966 71.7-116.3-133.8 151.4 9.1 39.7 5.8 199 678 A M E -g 116 0B 43 -2,-0.3 2,-0.6 -84,-0.1 -82,-0.2 -0.773 26.7-142.5 -88.5 125.8 7.8 36.3 6.2 200 679 A Y E +g 117 0B 9 -84,-2.9 -82,-3.0 -2,-0.5 3,-0.1 -0.792 29.7 166.8 -92.6 122.8 4.0 36.0 6.2 201 680 A N S S+ 0 0 85 -2,-0.6 -54,-2.0 1,-0.3 -81,-0.4 0.490 80.4 2.4 -98.2 -14.5 2.4 33.5 8.5 202 681 A S B S-I 146 0C 12 -56,-0.2 -1,-0.3 -83,-0.1 -56,-0.2 -0.940 91.3 -80.4-158.3 169.4 -1.0 35.1 7.9 203 682 A V S S+ 0 0 1 -58,-1.6 2,-0.2 -2,-0.3 -3,-0.0 -0.997 110.6 30.4-130.4 125.5 -2.5 37.9 5.8 204 683 A P 0 0 84 0, 0.0 -3,-0.1 0, 0.0 -15,-0.0 0.599 360.0 360.0 -70.5 170.6 -2.3 40.8 6.6 205 684 A L 0 0 94 -2,-0.2 -2,-0.1 -5,-0.1 -5,-0.1 -0.262 360.0 360.0 -49.2 360.0 1.0 40.6 8.5