==== 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 17-NOV-05 2C71 . 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) . 8830.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 13.2 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 . 15 7.3 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 . 67 32.7 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 0 0 1 1 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 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 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 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 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 0 116 0, 0.0 176,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 127.8 -13.1 34.5 6.8 2 481 A L E +a 177 0A 27 174,-0.2 143,-3.2 182,-0.0 144,-0.4 -0.900 360.0 176.8-120.3 140.2 -10.3 33.2 4.6 3 482 A V E -a 178 0A 0 174,-1.9 176,-2.3 -2,-0.4 2,-0.5 -0.978 21.0-139.2-133.1 159.6 -7.6 30.6 5.0 4 483 A A E -b 147 0B 0 142,-2.2 144,-3.1 -2,-0.3 2,-0.5 -0.947 10.2-154.1-119.4 114.3 -4.9 29.3 2.7 5 484 A L E -b 148 0B 0 -2,-0.5 26,-2.0 174,-0.4 2,-0.3 -0.730 22.8-177.5 -86.3 123.8 -4.2 25.6 2.8 6 485 A T E -bc 149 31B 0 142,-2.0 144,-2.2 -2,-0.5 2,-0.4 -0.932 14.4-157.2-132.2 149.7 -0.6 25.0 1.6 7 486 A F E -bc 150 32B 0 24,-2.1 26,-2.7 -2,-0.3 144,-0.3 -0.987 9.6-161.6-134.8 123.5 1.5 21.8 1.1 8 487 A D E +bc 151 33B 5 142,-2.3 144,-1.6 -2,-0.4 145,-1.3 -0.577 56.3 33.0 -94.1 166.3 5.3 21.5 1.0 9 488 A D S S+ 0 0 21 24,-1.0 25,-0.1 1,-0.3 -1,-0.1 0.214 91.7 97.0 89.8 -3.6 7.9 19.0 -0.2 10 489 A G + 0 0 0 23,-0.4 25,-2.8 -3,-0.2 -1,-0.3 -0.122 32.3 143.0 -95.1-168.4 6.3 17.5 -3.4 11 490 A P + 0 0 1 0, 0.0 2,-0.4 0, 0.0 3,-0.1 0.390 44.3 159.4 -87.3 152.6 5.4 16.6 -6.0 12 491 A D >> - 0 0 38 1,-0.1 4,-2.3 -2,-0.1 5,-0.8 -0.994 38.2-139.3-131.8 122.3 5.2 12.9 -5.6 13 492 A N H >5S+ 0 0 65 -2,-0.4 4,-0.5 1,-0.2 -1,-0.1 0.863 101.5 33.6 -50.3 -41.5 2.9 11.1 -8.0 14 493 A V H >5S+ 0 0 86 2,-0.1 4,-1.3 3,-0.1 -1,-0.2 0.958 125.4 36.2 -79.7 -57.3 1.5 8.8 -5.3 15 494 A L H >5S+ 0 0 13 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.894 117.4 50.1 -71.7 -38.6 1.4 11.0 -2.2 16 495 A T H X5S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 3,-0.2 0.884 105.8 58.1 -65.9 -38.3 0.5 14.3 -3.9 17 496 A A H XS+ 0 0 1 -4,-2.3 5,-2.5 1,-0.2 4,-0.7 0.893 110.5 49.1 -64.0 -35.1 -9.2 18.7 -2.7 24 503 A D H ><5S+ 0 0 84 -4,-2.3 3,-0.6 -5,-0.2 -1,-0.2 0.914 107.3 55.4 -65.6 -45.1 -11.3 17.5 -5.6 25 504 A K H 3<5S+ 0 0 130 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.888 119.1 32.4 -54.9 -40.8 -13.8 15.8 -3.2 26 505 A Y H 3<5S- 0 0 46 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.411 106.2-123.1 -98.0 -0.2 -14.4 19.0 -1.4 27 506 A N T <<5 + 0 0 131 -4,-0.7 2,-0.4 -3,-0.6 -3,-0.2 0.913 58.6 155.2 57.4 46.0 -13.9 21.3 -4.3 28 507 A V < - 0 0 8 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.865 37.7-142.2-112.9 136.9 -11.2 23.2 -2.5 29 508 A K + 0 0 77 -2,-0.4 -24,-0.4 149,-0.4 2,-0.2 -0.755 27.7 166.4 -93.5 147.8 -8.2 25.2 -3.9 30 509 A A - 0 0 0 -2,-0.3 26,-2.2 20,-0.1 2,-0.4 -0.802 32.0-111.6-146.6-179.6 -4.8 25.1 -2.3 31 510 A T E -cd 6 56B 0 -26,-2.0 -24,-2.1 -2,-0.2 2,-0.5 -0.990 18.8-154.7-126.9 133.1 -1.2 26.0 -2.9 32 511 A F E -cd 7 57B 0 24,-2.8 26,-2.8 -2,-0.4 2,-0.8 -0.951 3.9-155.9-110.9 121.3 1.7 23.6 -3.4 33 512 A M E -cd 8 58B 1 -26,-2.7 -24,-1.0 -2,-0.5 -23,-0.4 -0.874 29.0-159.9 -97.7 102.8 5.3 24.7 -2.5 34 513 A V E - d 0 59B 1 24,-2.3 26,-2.9 -2,-0.8 2,-0.5 -0.545 18.1-129.1-100.1 154.7 7.3 22.4 -4.7 35 514 A V > - 0 0 0 -25,-2.8 3,-2.1 -2,-0.2 4,-0.4 -0.869 17.3-138.5-103.8 123.0 10.9 21.2 -4.7 36 515 A G G > S+ 0 0 1 25,-2.2 3,-1.8 -2,-0.5 26,-0.2 0.837 98.1 62.8 -55.9 -40.2 12.7 21.6 -8.0 37 516 A Q G 3 S+ 0 0 99 25,-2.4 -1,-0.3 1,-0.3 26,-0.1 0.701 104.5 50.4 -50.7 -29.6 14.5 18.2 -7.8 38 517 A R G < S+ 0 0 80 -3,-2.1 2,-0.7 -28,-0.2 -1,-0.3 0.471 88.2 91.7 -92.8 -6.5 11.2 16.5 -7.8 39 518 A V < + 0 0 5 -3,-1.8 2,-0.2 -4,-0.4 3,-0.1 -0.830 56.8 118.1 -98.1 109.4 9.7 18.3 -10.9 40 519 A N S >> S- 0 0 70 -2,-0.7 4,-1.0 1,-0.1 3,-0.9 -0.820 81.2 -68.6-157.3-178.6 10.5 16.3 -14.0 41 520 A D H >> S+ 0 0 124 1,-0.3 3,-3.1 -2,-0.2 4,-0.5 0.970 128.5 57.8 -45.6 -57.6 8.8 14.5 -16.9 42 521 A S H 34 S+ 0 0 85 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.743 117.0 33.0 -46.1 -36.7 7.6 11.8 -14.4 43 522 A T H <> S+ 0 0 9 -3,-0.9 4,-2.2 1,-0.1 -1,-0.3 0.325 89.3 101.8-104.4 6.1 5.8 14.5 -12.4 44 523 A A H S+ 0 0 12 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.883 111.2 51.4 -72.7 -35.2 0.6 16.0 -11.6 47 526 A I H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 3,-0.3 0.940 112.9 46.3 -59.6 -45.9 2.1 19.5 -11.6 48 527 A R H X S+ 0 0 107 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.880 104.6 61.0 -67.9 -36.9 -0.2 20.4 -14.5 49 528 A R H X S+ 0 0 61 -4,-2.4 4,-1.6 1,-0.2 6,-0.3 0.868 100.1 56.9 -54.6 -37.8 -3.1 18.8 -12.7 50 529 A M H ><>S+ 0 0 0 -4,-1.5 5,-2.4 -3,-0.3 3,-0.5 0.972 111.6 40.7 -55.6 -55.5 -2.5 21.4 -9.9 51 530 A V H ><5S+ 0 0 44 -4,-1.4 3,-1.9 1,-0.2 -2,-0.2 0.930 113.0 54.3 -57.5 -46.8 -2.9 24.3 -12.3 52 531 A N H 3<5S+ 0 0 119 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.775 108.0 51.0 -59.9 -30.0 -5.8 22.6 -14.1 53 532 A S T <<5S- 0 0 44 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.190 123.0 -99.3 -96.3 7.4 -7.7 22.2 -10.9 54 533 A G T < 5S+ 0 0 29 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.534 78.4 135.1 87.7 5.4 -7.3 25.9 -9.7 55 534 A H < - 0 0 14 -5,-2.4 2,-0.3 -6,-0.3 -1,-0.3 -0.444 48.4-129.1 -81.4 164.1 -4.4 25.3 -7.4 56 535 A E E -d 31 0B 26 -26,-2.2 -24,-2.8 -2,-0.1 2,-0.5 -0.834 11.3-143.7-109.8 151.1 -1.3 27.6 -7.2 57 536 A I E +d 32 0B 6 -2,-0.3 38,-0.4 -26,-0.2 39,-0.2 -0.968 20.1 178.7-118.0 129.1 2.3 26.5 -7.3 58 537 A G E -d 33 0B 0 -26,-2.8 -24,-2.3 -2,-0.5 2,-0.5 -0.618 32.3 -94.1-117.6-179.0 5.0 28.2 -5.3 59 538 A N E +de 34 97B 0 37,-2.6 39,-2.4 -26,-0.2 -24,-0.2 -0.863 31.4 170.5-106.4 123.0 8.8 27.6 -4.8 60 539 A H - 0 0 10 -26,-2.9 3,-0.1 -2,-0.5 -25,-0.1 -0.058 60.9 -98.7-115.5 29.3 10.3 25.5 -1.9 61 540 A S - 0 0 2 1,-0.2 -25,-2.2 -27,-0.1 -1,-0.4 0.056 41.2 -72.6 78.8 171.1 13.8 25.6 -3.5 62 541 A W S S- 0 0 86 -27,-0.2 -25,-2.4 -26,-0.2 2,-0.2 0.763 108.4 -3.8 -69.3 -29.6 15.7 23.0 -5.6 63 542 A S S S- 0 0 32 2,-0.2 -27,-0.1 -27,-0.2 -54,-0.1 -0.487 83.8 -81.0-144.0-152.1 16.3 20.6 -2.7 64 543 A Y S S+ 0 0 93 -2,-0.2 2,-0.4 -29,-0.1 -3,-0.1 0.150 78.8 115.7-118.9 16.5 15.8 20.1 1.1 65 544 A S S S- 0 0 67 1,-0.1 -2,-0.2 2,-0.0 -3,-0.1 -0.682 72.9-106.4 -91.8 139.2 18.8 22.0 2.5 66 545 A G - 0 0 28 -2,-0.4 3,-0.1 1,-0.1 35,-0.1 -0.360 29.5-161.0 -57.0 142.3 18.4 25.1 4.7 67 546 A M > + 0 0 0 33,-0.5 3,-1.6 36,-0.4 -1,-0.1 0.425 61.5 97.4-111.2 -2.9 19.3 28.2 2.7 68 547 A A T 3 S+ 0 0 13 1,-0.3 40,-0.3 32,-0.2 39,-0.2 0.780 91.7 39.2 -69.7 -29.5 20.0 30.8 5.3 69 548 A N T 3 S+ 0 0 167 -3,-0.1 -1,-0.3 38,-0.1 2,-0.1 0.210 92.6 116.0-104.3 14.5 23.8 30.4 5.2 70 549 A M < - 0 0 43 -3,-1.6 -3,-0.1 1,-0.1 37,-0.0 -0.437 68.9-109.3 -78.8 157.4 24.0 29.9 1.4 71 550 A S > - 0 0 45 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.386 31.2-105.5 -75.9 161.2 25.8 32.4 -0.9 72 551 A P H > S+ 0 0 57 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.912 123.2 51.7 -52.1 -43.7 24.0 34.6 -3.3 73 552 A D H > S+ 0 0 102 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.905 110.4 47.7 -62.5 -43.0 25.0 32.4 -6.2 74 553 A Q H > S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.930 114.6 46.6 -62.5 -43.1 23.8 29.2 -4.4 75 554 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.948 111.5 50.9 -62.3 -51.4 20.5 30.9 -3.6 76 555 A R H X S+ 0 0 133 -4,-2.8 4,-2.4 -5,-0.2 5,-0.2 0.867 111.4 47.7 -53.1 -46.1 20.0 32.3 -7.0 77 556 A K H X S+ 0 0 129 -4,-2.0 4,-2.5 -5,-0.2 5,-0.3 0.924 111.1 49.8 -64.6 -48.1 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 0.930 116.5 41.2 -58.5 -47.4 18.3 27.0 -6.4 79 558 A I H X S+ 0 0 15 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.898 117.4 46.6 -69.5 -42.7 15.4 29.4 -6.9 80 559 A A H X S+ 0 0 50 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.900 110.8 50.9 -68.4 -41.9 15.9 29.9 -10.7 81 560 A D H X S+ 0 0 54 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.889 111.7 49.1 -65.9 -36.0 16.3 26.3 -11.5 82 561 A T H X S+ 0 0 0 -4,-1.4 4,-2.2 -5,-0.3 5,-0.2 0.933 110.5 49.7 -65.8 -47.6 13.1 25.5 -9.6 83 562 A N H X S+ 0 0 32 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.892 107.8 55.8 -57.5 -40.1 11.2 28.3 -11.3 84 563 A A H X S+ 0 0 62 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.910 108.8 44.2 -64.3 -41.7 12.4 27.0 -14.7 85 564 A V H X S+ 0 0 28 -4,-1.6 4,-1.6 2,-0.2 5,-0.3 0.892 113.0 52.5 -71.4 -35.4 11.0 23.4 -14.2 86 565 A I H X>S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.7 0.949 110.6 47.8 -61.8 -46.4 7.8 24.8 -12.9 87 566 A Q H X5S+ 0 0 89 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.914 108.6 56.1 -58.3 -43.3 7.3 27.0 -15.9 88 567 A K H <5S+ 0 0 141 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.894 122.9 21.6 -57.4 -42.3 8.2 24.1 -18.3 89 568 A Y H <5S+ 0 0 34 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.769 132.8 36.0-103.5 -31.4 5.4 21.8 -17.0 90 569 A A H <5S- 0 0 2 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.695 90.1-133.7 -95.5 -26.7 2.9 24.1 -15.3 91 570 A G S < - 0 0 0 0, 0.0 3,-2.5 0, 0.0 -33,-0.1 -0.356 30.2-101.2 -60.9 136.9 12.2 28.8 2.9 100 579 A P G > S+ 0 0 3 0, 0.0 3,-1.8 0, 0.0 -33,-0.5 -0.331 109.0 1.9 -52.0 132.7 13.4 25.3 3.6 101 580 A N G 3 S- 0 0 104 1,-0.3 3,-0.1 -35,-0.1 -35,-0.1 0.579 117.5 -87.1 61.3 12.5 13.0 24.7 7.3 102 581 A L G < S+ 0 0 58 -3,-2.5 2,-0.5 1,-0.2 -1,-0.3 0.640 86.3 150.6 60.0 21.6 11.5 28.2 7.6 103 582 A E < + 0 0 93 -3,-1.8 -36,-0.4 -4,-0.0 2,-0.3 -0.699 18.9 173.7 -92.3 123.8 15.1 29.4 8.0 104 583 A T + 0 0 56 -2,-0.5 -36,-0.1 -3,-0.1 3,-0.1 -0.787 13.5 177.0-122.4 167.3 15.8 33.0 6.8 105 584 A S > - 0 0 20 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.945 47.9-100.5-153.4 166.1 18.7 35.5 6.8 106 585 A P H > S+ 0 0 110 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.900 124.6 54.3 -55.3 -41.4 19.2 39.0 5.4 107 586 A T H > S+ 0 0 61 -39,-0.2 4,-1.0 2,-0.2 -38,-0.1 0.898 107.8 48.4 -61.7 -42.4 21.1 37.3 2.5 108 587 A L H >> S+ 0 0 0 -40,-0.3 3,-1.0 1,-0.2 4,-0.6 0.960 113.3 46.7 -61.9 -50.6 18.2 35.0 1.7 109 588 A F H >< S+ 0 0 26 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.900 111.6 53.2 -56.1 -40.0 15.7 37.8 1.7 110 589 A N H 3< S+ 0 0 129 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.678 113.1 42.5 -67.6 -24.1 18.1 39.9 -0.4 111 590 A N H << S+ 0 0 43 -3,-1.0 2,-0.5 -4,-1.0 -1,-0.2 0.312 99.4 73.6-115.3 8.7 18.5 37.3 -3.1 112 591 A V << - 0 0 1 -3,-0.8 2,-1.0 -4,-0.6 -1,-0.1 -0.963 56.9-164.0-126.4 112.6 14.9 35.9 -3.5 113 592 A D + 0 0 124 -2,-0.5 2,-0.3 2,-0.1 82,-0.1 -0.406 60.8 95.1 -92.2 55.7 12.5 38.2 -5.4 114 593 A L S S- 0 0 15 -2,-1.0 2,-0.4 80,-0.2 -18,-0.2 -0.926 86.1 -94.4-137.5 157.5 9.4 36.3 -4.2 115 594 A V E -f 96 0B 1 -20,-2.2 -18,-2.7 -2,-0.3 2,-0.4 -0.675 42.8-131.4 -77.7 127.3 7.0 36.8 -1.3 116 595 A F E -f 97 0B 0 82,-0.5 84,-2.7 -2,-0.4 2,-0.4 -0.672 26.7-173.4 -84.1 128.4 8.1 34.7 1.6 117 596 A V B +h 200 0C 0 -20,-2.4 84,-0.2 -2,-0.4 -15,-0.1 -0.963 17.8 159.0-123.0 140.5 5.5 32.6 3.4 118 597 A G + 0 0 0 82,-3.1 83,-0.2 -2,-0.4 2,-0.1 0.370 21.7 173.3-112.7-104.4 5.6 30.5 6.5 119 598 A G - 0 0 11 80,-0.1 2,-0.4 29,-0.1 29,-0.2 -0.428 38.8 -39.7 123.3 172.8 2.4 29.6 8.3 120 599 A L B -g 148 0B 49 27,-2.7 29,-3.0 81,-0.4 2,-0.2 -0.562 57.0-150.1 -68.6 124.6 0.7 27.6 11.1 121 600 A T - 0 0 55 -2,-0.4 29,-0.1 27,-0.2 -2,-0.0 -0.559 14.3-163.3 -99.7 169.0 2.2 24.2 11.4 122 601 A A - 0 0 3 27,-0.5 15,-0.2 -2,-0.2 16,-0.1 0.032 46.0-105.0-143.5 22.0 0.5 21.0 12.6 123 602 A N S > S+ 0 0 80 1,-0.1 3,-1.4 14,-0.1 6,-0.2 0.748 71.1 144.3 58.4 29.9 3.2 18.5 13.5 124 603 A D T 3 + 0 0 0 1,-0.3 36,-0.2 10,-0.1 -1,-0.1 0.360 58.6 67.5 -91.1 11.9 2.4 16.6 10.2 125 604 A W T 3 S+ 0 0 105 29,-0.0 -1,-0.3 25,-0.0 -2,-0.1 0.273 82.6 87.0 -96.4 1.8 6.1 15.7 9.6 126 605 A I X - 0 0 59 -3,-1.4 3,-2.2 1,-0.1 -1,-0.0 -0.913 68.3-157.9-107.3 99.3 5.9 13.4 12.7 127 606 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.702 86.6 65.4 -57.5 -21.5 4.6 10.0 11.6 128 607 A S T 3 S+ 0 0 104 2,-0.1 2,-0.3 30,-0.0 30,-0.1 0.676 83.1 93.4 -72.7 -13.2 3.4 9.0 15.0 129 608 A T S < S- 0 0 22 -3,-2.2 2,-0.1 -6,-0.2 -6,-0.0 -0.613 73.4-133.3 -86.1 140.0 0.7 11.8 14.9 130 609 A T > - 0 0 64 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.283 21.9-104.2 -88.1 169.2 -2.7 10.7 13.6 131 610 A A H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.917 123.0 51.7 -53.0 -47.8 -5.1 12.3 11.2 132 611 A E H > S+ 0 0 144 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.901 110.0 48.1 -62.5 -39.1 -7.3 13.5 14.1 133 612 A Q H > S+ 0 0 106 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 111.5 49.6 -68.7 -40.5 -4.3 15.1 15.8 134 613 A R H X S+ 0 0 1 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.926 113.2 47.4 -62.4 -44.9 -3.1 16.9 12.7 135 614 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.2 5,-0.3 0.924 110.0 51.8 -62.4 -44.2 -6.7 18.2 12.1 136 615 A A H X S+ 0 0 42 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.886 107.5 54.1 -59.8 -38.5 -7.0 19.3 15.7 137 616 A A H X S+ 0 0 37 -4,-2.1 4,-0.6 -15,-0.2 -1,-0.2 0.896 114.3 40.2 -63.5 -41.8 -3.8 21.2 15.4 138 617 A V H >X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 3,-0.9 0.954 115.0 49.8 -69.4 -52.4 -5.0 23.1 12.3 139 618 A I H 3< S+ 0 0 13 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.848 112.5 46.5 -62.7 -38.1 -8.6 23.7 13.5 140 619 A N H 3< S+ 0 0 129 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.678 115.9 46.0 -79.0 -15.1 -7.6 25.1 16.9 141 620 A G H << S+ 0 0 37 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.644 87.5 103.1 -98.8 -22.1 -4.9 27.4 15.4 142 621 A V < + 0 0 16 -4,-1.7 2,-0.3 4,-0.1 -139,-0.1 -0.316 37.3 165.7 -71.3 150.0 -6.6 29.0 12.5 143 622 A R > - 0 0 124 -141,-0.1 3,-2.3 -2,-0.0 2,-0.2 -0.880 55.1 -58.5-140.7 173.8 -8.0 32.5 12.4 144 623 A D T 3 S+ 0 0 72 -2,-0.3 -141,-0.2 1,-0.3 32,-0.0 -0.415 127.4 18.0 -56.7 123.5 -9.1 34.8 9.5 145 624 A G T 3 S+ 0 0 0 -143,-3.2 58,-1.8 1,-0.3 -1,-0.3 0.348 87.0 151.8 96.0 -3.3 -6.1 35.1 7.2 146 625 A T B < -I 202 0D 6 -3,-2.3 -142,-2.2 -144,-0.4 2,-0.5 -0.359 38.9-145.3 -65.4 140.3 -4.0 32.1 8.4 147 626 A I E -b 4 0B 0 54,-1.9 -27,-2.7 -144,-0.2 2,-0.5 -0.910 19.0-147.5 -96.0 121.0 -1.7 30.4 6.0 148 627 A I E -bg 5 120B 0 -144,-3.1 -142,-2.0 -2,-0.5 2,-0.7 -0.862 4.7-152.6 -97.5 121.7 -1.7 26.7 7.0 149 628 A L E +b 6 0B 7 -29,-3.0 -27,-0.5 -2,-0.5 2,-0.2 -0.871 30.5 151.5 -99.3 106.2 1.6 24.8 6.5 150 629 A L E -b 7 0B 0 -144,-2.2 -142,-2.3 -2,-0.7 2,-0.4 -0.745 39.1-121.4-118.2 174.4 1.1 21.1 5.8 151 630 A H E -b 8 0B 19 -144,-0.3 -142,-0.2 -2,-0.2 9,-0.1 -0.978 13.6-169.9-118.7 130.1 3.2 18.6 3.8 152 631 A D S S+ 0 0 2 -144,-1.6 2,-0.5 -2,-0.4 -143,-0.2 0.792 84.5 44.5 -78.8 -27.6 1.8 16.6 0.9 153 632 A V + 0 0 9 -145,-1.3 -1,-0.2 -137,-0.1 -145,-0.0 -0.974 68.5 127.1-127.8 123.6 5.0 14.5 0.9 154 633 A Q - 0 0 35 -2,-0.5 -28,-0.0 -3,-0.1 -29,-0.0 -0.950 65.1 -74.6-156.2 160.9 6.7 13.0 4.0 155 634 A P S S- 0 0 94 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.340 77.7 -64.5 -55.9 146.2 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 -0.439 109.9 62.4 -90.3 158.6 5.0 7.3 6.0 157 636 A P S S+ 0 0 86 0, 0.0 -28,-0.1 0, 0.0 0, 0.0 0.432 70.4 158.7 -58.2 139.0 2.7 6.9 7.9 158 637 A H + 0 0 8 -2,-0.1 2,-0.7 -30,-0.1 4,-0.2 -0.574 13.0 171.3-140.5 74.4 1.6 10.2 6.6 159 638 A P > + 0 0 24 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.023 38.7 120.3 -82.9 37.6 -2.2 10.7 7.2 160 639 A T H > S+ 0 0 0 -2,-0.7 4,-1.4 2,-0.2 -8,-0.1 0.928 73.2 54.0 -64.5 -40.9 -2.3 14.3 6.1 161 640 A P H >> S+ 0 0 3 0, 0.0 3,-0.7 0, 0.0 4,-0.6 0.940 109.4 48.8 -56.5 -45.9 -4.9 13.5 3.3 162 641 A E H >4 S+ 0 0 85 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.853 103.4 60.8 -63.8 -32.9 -7.1 11.9 6.0 163 642 A A H >X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 3,-1.7 0.852 95.0 63.8 -58.7 -34.7 -6.7 15.0 8.2 164 643 A L H S+ 0 0 65 -3,-1.7 4,-2.3 -4,-0.4 5,-0.3 0.758 119.5 51.8 -97.8 -50.2 -11.8 16.8 9.3 167 646 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.907 109.5 47.0 -55.1 -52.4 -10.2 20.1 8.5 168 647 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.971 116.6 40.5 -64.9 -53.4 -12.1 21.1 5.4 169 648 A P H > S+ 0 0 45 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.910 116.8 51.1 -60.4 -39.4 -15.7 20.3 6.7 170 649 A T H X S+ 0 0 42 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.957 113.0 42.8 -65.6 -48.1 -15.0 21.8 10.1 171 650 A L H <>S+ 0 0 0 -4,-2.6 5,-2.5 -5,-0.3 3,-0.4 0.910 113.2 52.9 -69.3 -36.7 -13.6 25.1 8.9 172 651 A K H ><5S+ 0 0 86 -4,-2.5 3,-1.6 -5,-0.3 -1,-0.2 0.920 107.7 51.7 -58.7 -39.7 -16.4 25.4 6.2 173 652 A S H 3<5S+ 0 0 109 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.786 106.2 55.9 -72.8 -20.2 -18.9 24.9 8.9 174 653 A R T 3<5S- 0 0 124 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.333 127.5 -96.6 -89.6 5.2 -17.2 27.7 10.9 175 654 A G T < 5S+ 0 0 45 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.579 77.5 138.9 97.9 5.3 -17.6 30.1 8.1 176 655 A Y < - 0 0 24 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.3 -0.615 36.1-157.2 -83.0 150.4 -14.2 29.8 6.4 177 656 A E E -a 2 0A 123 -176,-2.2 -174,-1.9 -2,-0.2 2,-0.4 -0.991 18.3-128.0-121.3 139.7 -13.5 29.7 2.7 178 657 A F E +a 3 0A 19 -2,-0.4 -149,-0.4 -176,-0.2 2,-0.3 -0.669 33.6 172.0 -91.2 131.1 -10.3 28.2 1.3 179 658 A V - 0 0 9 -176,-2.3 -174,-0.4 -2,-0.4 -148,-0.1 -0.911 33.8-105.8-134.8 159.5 -8.2 30.2 -1.1 180 659 A T > - 0 0 6 -2,-0.3 4,-2.6 -150,-0.1 5,-0.2 -0.336 43.7-103.2 -71.3 168.4 -4.9 30.1 -2.9 181 660 A L H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.930 124.1 50.0 -60.7 -44.9 -2.1 32.4 -1.7 182 661 A T H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.923 112.3 47.5 -60.1 -44.5 -2.6 34.8 -4.6 183 662 A E H > S+ 0 0 68 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.889 107.9 55.7 -63.8 -40.3 -6.3 34.8 -3.8 184 663 A L H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 6,-0.2 0.952 112.4 42.0 -57.6 -50.1 -5.7 35.4 -0.1 185 664 A F H X>S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 4,-0.6 0.948 117.1 47.8 -59.0 -50.9 -3.6 38.5 -0.8 186 665 A T H ><5S+ 0 0 94 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.926 111.7 47.9 -61.5 -47.7 -6.0 39.8 -3.5 187 666 A L H 3<5S+ 0 0 115 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.754 113.7 48.7 -68.9 -23.9 -9.2 39.4 -1.6 188 667 A K H 3<5S- 0 0 65 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.455 113.1-119.2 -89.9 -4.8 -7.6 41.1 1.5 189 668 A G T <<5 + 0 0 63 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.750 66.3 140.1 72.6 25.8 -6.4 44.0 -0.7 190 669 A V < - 0 0 31 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.888 54.0-123.2-103.4 118.3 -2.7 43.3 0.1 191 670 A P - 0 0 98 0, 0.0 2,-1.3 0, 0.0 -5,-0.0 -0.332 17.9-122.8 -57.8 143.1 -0.3 43.8 -2.9 192 671 A I + 0 0 41 -10,-0.0 -77,-0.0 2,-0.0 -10,-0.0 -0.745 50.7 167.7 -87.4 89.6 1.8 40.7 -3.7 193 672 A D > - 0 0 63 -2,-1.3 3,-2.1 1,-0.1 -79,-0.1 -0.901 33.4-167.0-122.6 102.8 5.0 42.7 -3.3 194 673 A P T 3 S+ 0 0 32 0, 0.0 -80,-0.2 0, 0.0 -1,-0.1 0.530 83.7 78.4 -69.9 -5.2 8.3 40.8 -3.2 195 674 A S T 3 S+ 0 0 80 -82,-0.1 2,-0.8 2,-0.1 -80,-0.0 0.568 71.7 98.1 -75.6 -10.7 10.0 44.1 -2.0 196 675 A V < - 0 0 34 -3,-2.1 2,-0.9 1,-0.1 -80,-0.4 -0.722 63.9-162.2 -75.5 112.0 8.5 43.2 1.3 197 676 A K + 0 0 79 -2,-0.8 2,-0.3 -82,-0.1 -1,-0.1 -0.362 54.6 96.9 -96.3 54.0 11.3 41.5 3.2 198 677 A R S S- 0 0 148 -2,-0.9 2,-0.5 -82,-0.1 -82,-0.5 -0.975 74.6-114.5-139.6 149.7 9.2 39.8 5.9 199 678 A M - 0 0 44 -2,-0.3 2,-0.6 -84,-0.1 -82,-0.2 -0.761 27.2-141.4 -88.0 125.8 7.8 36.3 6.2 200 679 A Y B +h 117 0C 9 -84,-2.7 -82,-3.1 -2,-0.5 3,-0.1 -0.768 30.0 166.5 -88.8 120.1 4.0 36.1 6.1 201 680 A N S S+ 0 0 80 -2,-0.6 -54,-1.9 1,-0.3 -81,-0.4 0.528 79.7 1.9 -97.2 -11.3 2.4 33.6 8.5 202 681 A S B S-I 146 0D 12 -56,-0.2 -1,-0.3 -83,-0.1 -56,-0.2 -0.939 91.2 -79.6-162.3 166.7 -1.0 35.2 7.8 203 682 A V S S+ 0 0 2 -58,-1.8 2,-0.2 -2,-0.3 -3,-0.0 -0.996 111.7 31.7-127.7 127.2 -2.5 38.0 5.7 204 683 A P 0 0 83 0, 0.0 -3,-0.1 0, 0.0 -15,-0.0 0.598 360.0 360.0 -66.3 167.1 -2.3 40.8 6.6 205 684 A L 0 0 90 -2,-0.2 -2,-0.1 -5,-0.1 -5,-0.1 -0.087 360.0 360.0 -46.9 360.0 1.1 40.5 8.3