==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-MAR-04 1VBR . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR IHSANAWATI,T.KUMASAKA,T.KANEKO,S.NAKAMURA,N.TANAKA . 648 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25905.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 483 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 3.4 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 37 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 234 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 6 0 2 2 0 0 0 2 4 2 0 2 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 10 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 PARALLEL BRIDGES PER LADDER . 6 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 1 0 0 0 0 2 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 1 517 A V 0 0 109 0, 0.0 2,-0.1 0, 0.0 313,-0.0 0.000 360.0 360.0 360.0 83.1 -4.2 -24.3 5.5 2 518 A S > - 0 0 8 35,-0.1 4,-1.7 1,-0.1 5,-0.2 -0.338 360.0-108.3 -84.6 168.3 -4.0 -20.5 6.0 3 519 A L H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.917 119.4 51.9 -63.2 -42.7 -3.6 -17.8 3.4 4 520 A R H > S+ 0 0 25 34,-0.9 4,-2.3 33,-0.3 -1,-0.2 0.822 105.9 54.7 -65.8 -29.6 0.0 -17.2 4.4 5 521 A E H > S+ 0 0 93 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.920 112.5 42.8 -68.4 -41.7 0.9 -20.9 4.1 6 522 A L H X S+ 0 0 7 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.886 112.1 54.8 -69.7 -38.6 -0.4 -20.9 0.5 7 523 A A H ><>S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 3,-1.1 0.922 104.8 53.6 -60.0 -45.3 1.3 -17.6 -0.2 8 524 A E H ><5S+ 0 0 85 -4,-2.3 3,-0.7 1,-0.3 -1,-0.2 0.830 105.7 53.3 -59.9 -33.8 4.6 -19.0 0.9 9 525 A K H 3<5S+ 0 0 147 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.656 111.9 45.7 -76.4 -15.7 4.2 -21.9 -1.5 10 526 A L T <<5S- 0 0 20 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.316 113.4-118.9-106.3 5.0 3.6 -19.4 -4.4 11 527 A N T < 5S+ 0 0 146 -3,-0.7 2,-0.3 -4,-0.3 -3,-0.2 0.812 77.5 107.1 61.5 34.1 6.5 -17.2 -3.3 12 528 A I < - 0 0 18 -5,-2.2 2,-0.4 -6,-0.1 -1,-0.2 -0.825 66.1-117.5-131.5 172.0 4.3 -14.2 -2.7 13 529 A Y E -a 274 0A 88 260,-1.8 262,-2.3 -2,-0.3 2,-0.4 -0.893 18.0-167.6-114.1 144.2 3.1 -12.3 0.4 14 530 A I E +a 275 0A 0 -2,-0.4 26,-2.1 260,-0.2 27,-0.5 -0.996 31.4 133.3-129.7 123.4 -0.5 -11.9 1.4 15 531 A G E -a 276 0A 0 260,-2.0 262,-2.2 -2,-0.4 2,-0.3 -0.702 36.7-121.0-149.5-157.0 -1.3 -9.4 4.1 16 532 A F E -ab 277 42A 1 25,-1.6 27,-2.1 260,-0.3 2,-0.5 -0.867 29.5 -96.6-150.2 177.6 -3.2 -6.6 5.7 17 533 A A E - b 0 43A 1 260,-0.7 2,-0.5 -2,-0.3 263,-0.1 -0.914 40.2-133.2-106.0 129.6 -3.1 -3.0 7.1 18 534 A A E - b 0 44A 0 25,-2.6 27,-2.3 -2,-0.5 28,-0.5 -0.760 18.7-126.2 -90.5 122.4 -2.8 -2.9 10.9 19 535 A I > - 0 0 36 -2,-0.5 3,-1.1 1,-0.1 -1,-0.1 -0.158 41.8 -76.9 -62.9 155.3 -5.2 -0.6 12.7 20 536 A N T 3 S- 0 0 55 1,-0.3 -1,-0.1 2,-0.1 4,-0.1 -0.244 111.8 -5.6 -53.6 136.8 -3.9 2.0 15.2 21 537 A N T > S+ 0 0 66 1,-0.1 3,-1.7 -3,-0.1 -1,-0.3 0.862 74.9 167.7 42.7 52.1 -2.9 0.6 18.5 22 538 A F G X + 0 0 4 -3,-1.1 3,-1.1 1,-0.3 10,-0.2 0.776 69.9 67.3 -64.6 -23.2 -4.1 -2.9 17.6 23 539 A W G 3 S+ 0 0 70 1,-0.2 -1,-0.3 8,-0.1 -2,-0.1 0.626 104.3 42.4 -72.3 -12.7 -2.3 -4.2 20.7 24 540 A S G < S+ 0 0 83 -3,-1.7 -1,-0.2 -4,-0.1 -2,-0.2 0.213 83.6 128.2-117.4 13.0 -4.7 -2.3 23.0 25 541 A L S X S- 0 0 33 -3,-1.1 3,-2.0 -4,-0.1 4,-0.2 -0.315 74.1-113.6 -65.8 154.0 -7.9 -3.0 21.2 26 542 A S T 3 S+ 0 0 118 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.855 123.1 32.7 -57.0 -33.0 -10.7 -4.4 23.4 27 543 A D T 3> S+ 0 0 26 1,-0.2 4,-2.5 2,-0.1 3,-0.4 -0.143 79.5 137.7-115.2 37.0 -10.3 -7.6 21.3 28 544 A A H <> + 0 0 11 -3,-2.0 4,-3.1 1,-0.2 5,-0.3 0.856 68.5 56.1 -49.4 -45.1 -6.5 -7.3 20.7 29 545 A E H > S+ 0 0 144 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.921 111.9 41.0 -57.5 -46.8 -5.9 -11.0 21.4 30 546 A K H > S+ 0 0 92 -3,-0.4 4,-2.6 2,-0.2 5,-0.3 0.917 115.2 51.2 -68.3 -43.8 -8.4 -12.2 18.7 31 547 A Y H X S+ 0 0 5 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.956 113.4 45.0 -58.4 -50.9 -7.3 -9.5 16.2 32 548 A M H X S+ 0 0 27 -4,-3.1 4,-2.8 -5,-0.2 5,-0.2 0.878 112.1 52.8 -62.0 -38.4 -3.6 -10.4 16.6 33 549 A E H X S+ 0 0 78 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.940 110.3 44.9 -65.0 -48.6 -4.4 -14.2 16.4 34 550 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.939 115.2 51.3 -60.9 -43.3 -6.3 -14.0 13.2 35 551 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.946 112.1 43.0 -59.0 -53.2 -3.6 -11.7 11.8 36 552 A R H < S+ 0 0 66 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.823 114.2 53.3 -65.2 -29.5 -0.6 -13.9 12.7 37 553 A R H < S+ 0 0 87 -4,-2.1 -33,-0.3 -5,-0.2 -1,-0.2 0.881 121.0 27.6 -72.7 -36.7 -2.5 -17.0 11.5 38 554 A E H < S+ 0 0 6 -4,-2.1 -34,-0.9 -5,-0.2 2,-0.3 0.751 110.3 57.4-101.0 -24.7 -3.3 -15.7 8.0 39 555 A F < - 0 0 0 -4,-2.5 -24,-0.2 -5,-0.2 3,-0.1 -0.789 36.0-175.8-120.8 156.2 -0.8 -13.1 6.9 40 556 A N S S+ 0 0 7 -26,-2.1 38,-2.1 -2,-0.3 2,-0.3 0.117 76.1 56.1-128.3 19.8 3.0 -12.6 6.3 41 557 A I E - c 0 78A 0 -27,-0.5 -25,-1.6 36,-0.3 2,-0.4 -0.955 62.5-165.9-152.2 133.5 3.1 -8.9 5.4 42 558 A L E -bc 16 79A 0 36,-2.5 38,-3.0 -2,-0.3 -25,-0.2 -0.975 8.6-169.0-127.9 135.0 2.0 -6.0 7.5 43 559 A T E -b 17 0A 1 -27,-2.1 -25,-2.6 -2,-0.4 2,-0.4 -0.984 29.6-125.5-119.3 121.6 1.4 -2.3 6.6 44 560 A P E -b 18 0A 0 0, 0.0 4,-0.3 0, 0.0 -25,-0.1 -0.559 19.2-144.6 -66.4 122.7 0.8 0.1 9.5 45 561 A E S S- 0 0 24 -27,-2.3 -26,-0.1 -2,-0.4 -28,-0.0 0.886 79.4 -21.9 -56.3 -42.3 -2.5 1.8 8.6 46 562 A N S > S+ 0 0 31 -28,-0.5 3,-2.7 3,-0.1 6,-0.3 0.562 111.2 91.3-141.0 -27.9 -1.6 5.2 10.0 47 563 A Q T 3 S+ 0 0 10 1,-0.3 18,-0.4 5,-0.1 -2,-0.1 0.397 89.3 51.8 -66.2 6.1 1.1 5.1 12.6 48 564 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.3 2,-0.1 0.291 89.3 108.7-114.7 2.6 4.0 5.6 10.2 49 565 A K S X> S- 0 0 10 -3,-2.7 4,-2.4 1,-0.1 3,-1.2 -0.411 85.3 -99.9 -79.4 158.4 2.4 8.7 8.7 50 566 A W H 3> S+ 0 0 6 33,-0.4 4,-2.8 1,-0.2 40,-0.2 0.851 115.8 54.9 -40.9 -59.8 3.7 12.2 9.3 51 567 A D H 34 S+ 0 0 56 38,-1.5 -1,-0.2 1,-0.2 39,-0.1 0.786 118.4 35.0 -53.8 -30.2 1.3 13.4 12.0 52 568 A T H <4 S+ 0 0 36 -3,-1.2 -2,-0.2 -6,-0.3 -1,-0.2 0.918 125.0 36.4 -89.1 -50.5 2.2 10.4 14.2 53 569 A I H < S+ 0 0 0 -4,-2.4 8,-2.1 1,-0.3 -3,-0.2 0.714 130.3 29.2 -77.9 -21.8 5.8 9.7 13.5 54 570 A H < + 0 0 0 -4,-2.8 -1,-0.3 -5,-0.4 6,-0.2 -0.545 68.5 161.2-139.7 68.1 6.9 13.4 13.2 55 571 A P + 0 0 36 0, 0.0 2,-0.3 0, 0.0 38,-0.3 0.699 69.4 24.8 -62.7 -27.4 4.5 15.4 15.4 56 572 A E B > S-I 59 0B 89 3,-1.1 3,-1.8 1,-0.1 332,-0.0 -0.958 90.1-103.8-137.6 156.9 6.8 18.5 15.6 57 573 A R T 3 S+ 0 0 98 -2,-0.3 -1,-0.1 1,-0.3 37,-0.0 0.857 120.8 26.7 -47.8 -44.3 9.5 19.9 13.3 58 574 A D T 3 S+ 0 0 33 -3,-0.0 329,-2.8 2,-0.0 330,-0.5 0.120 110.4 81.5-109.1 20.5 12.3 18.7 15.6 59 575 A R E < -IJ 56 386B 58 -3,-1.8 -3,-1.1 327,-0.2 2,-0.4 -0.988 52.4-168.6-132.3 135.8 10.6 15.8 17.3 60 576 A Y E - J 0 385B 0 325,-2.5 325,-2.1 -2,-0.4 2,-0.5 -0.942 7.0-165.3-122.0 142.4 10.1 12.2 16.2 61 577 A N E + J 0 384B 18 -8,-2.1 4,-0.3 -2,-0.4 323,-0.2 -0.881 19.1 161.1-127.9 98.1 7.9 9.5 17.8 62 578 A F > + 0 0 1 321,-3.0 4,-2.8 -2,-0.5 5,-0.2 0.455 48.9 102.9 -92.6 -3.4 8.7 6.0 16.5 63 579 A T H > S+ 0 0 33 320,-0.6 4,-1.3 1,-0.2 -1,-0.1 0.902 82.5 38.8 -48.6 -59.0 7.0 4.3 19.5 64 580 A P H >> S+ 0 0 12 0, 0.0 4,-1.2 0, 0.0 3,-0.5 0.945 117.2 50.8 -62.0 -44.4 3.7 3.2 17.8 65 581 A A H 3> S+ 0 0 0 -18,-0.4 4,-2.2 -4,-0.3 3,-0.4 0.873 105.0 57.2 -58.8 -39.8 5.4 2.2 14.6 66 582 A E H 3X S+ 0 0 21 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.849 102.4 55.5 -61.2 -33.5 8.0 0.1 16.4 67 583 A K H <>S+ 0 0 0 -4,-2.3 5,-2.9 1,-0.2 3,-0.6 0.951 112.2 46.4 -60.1 -52.5 5.5 -8.4 12.4 73 589 A E H ><5S+ 0 0 95 -4,-3.0 3,-1.2 1,-0.2 -1,-0.2 0.878 111.6 51.7 -59.8 -39.4 9.0 -9.6 13.2 74 590 A E H 3<5S+ 0 0 144 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.746 114.3 44.2 -70.7 -22.4 7.8 -11.9 16.0 75 591 A N T <<5S- 0 0 20 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.051 117.6-107.3-111.5 24.5 5.2 -13.4 13.7 76 592 A D T < 5S+ 0 0 124 -3,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.857 73.0 138.8 54.3 43.0 7.4 -13.9 10.7 77 593 A M < - 0 0 9 -5,-2.9 -36,-0.3 -8,-0.1 2,-0.2 -0.898 49.4-130.8-115.2 145.5 5.9 -11.0 8.7 78 594 A I E -c 41 0A 31 -38,-2.1 -36,-2.5 -2,-0.4 2,-0.4 -0.595 27.6-118.6 -89.3 159.4 7.7 -8.5 6.5 79 595 A V E -c 42 0A 1 43,-0.4 46,-1.5 -2,-0.2 45,-1.3 -0.864 15.6-159.3-108.0 133.6 6.9 -4.8 7.0 80 596 A H E -d 125 0A 1 -38,-3.0 46,-0.2 -2,-0.4 2,-0.2 -0.935 21.5-140.2-109.0 108.3 5.5 -2.5 4.3 81 597 A G E -d 126 0A 0 44,-3.7 46,-2.1 -2,-0.6 2,-0.3 -0.463 15.8-142.9 -73.1 140.2 6.2 1.1 5.2 82 598 A H E -d 127 0A 3 1,-0.2 -34,-0.5 44,-0.2 46,-0.1 -0.924 51.5 -14.5-158.1 121.1 3.5 3.7 4.6 83 599 A T E + 0 0 2 44,-0.5 -33,-0.4 -2,-0.3 -1,-0.2 0.650 36.1 167.7-143.1 148.3 3.9 6.5 3.6 84 600 A L E S+ 0 0 0 43,-2.2 2,-0.4 1,-0.2 45,-0.2 0.836 86.0 25.8 -76.1 -36.7 6.7 9.0 3.3 85 601 A V E S+d 129 0A 1 43,-1.2 45,-2.6 42,-0.4 2,-0.3 -0.952 73.9 137.0-136.1 115.9 5.2 11.7 1.1 86 602 A W - 0 0 32 -2,-0.4 45,-0.1 43,-0.2 46,-0.1 -0.958 50.3-129.4-150.3 161.3 1.4 12.3 1.0 87 603 A H S S+ 0 0 47 43,-0.3 3,-0.3 -2,-0.3 2,-0.2 0.552 85.8 68.0 -93.5 -10.1 -0.9 15.3 1.0 88 604 A N S S+ 0 0 77 1,-0.2 -2,-0.1 54,-0.0 54,-0.0 -0.684 91.7 26.0-108.1 164.8 -3.2 14.2 3.8 89 605 A Q S S+ 0 0 70 -2,-0.2 -38,-1.5 1,-0.2 -1,-0.2 0.881 78.9 157.1 52.6 43.4 -2.7 13.7 7.5 90 606 A L - 0 0 24 -3,-0.3 -1,-0.2 -40,-0.2 -3,-0.0 -0.763 43.2-108.2 -96.4 144.8 0.1 16.3 7.6 91 607 A P >> - 0 0 11 0, 0.0 4,-2.0 0, 0.0 3,-1.7 -0.257 24.7-110.2 -70.7 160.2 0.9 18.0 10.9 92 608 A G H 3> S+ 0 0 54 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.800 114.2 65.5 -59.8 -31.8 0.1 21.6 11.7 93 609 A W H 34 S+ 0 0 51 -38,-0.3 -1,-0.3 1,-0.2 -37,-0.1 0.684 111.0 39.0 -67.3 -13.5 3.8 22.7 11.6 94 610 A I H X4 S+ 0 0 1 -3,-1.7 3,-0.7 2,-0.1 -2,-0.2 0.863 124.1 34.4 -96.9 -52.4 3.7 21.8 7.9 95 611 A T H 3< S+ 0 0 94 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.676 108.5 67.4 -79.0 -19.2 0.3 23.0 6.8 96 612 A G T 3< S+ 0 0 67 -4,-2.6 2,-0.3 -5,-0.3 -1,-0.2 0.349 99.0 47.5 -86.7 7.2 0.1 26.0 9.2 97 613 A R S < S- 0 0 104 -3,-0.7 2,-0.3 -5,-0.1 0, 0.0 -0.961 82.9-102.9-144.3 161.6 2.9 28.1 7.6 98 614 A E - 0 0 176 -2,-0.3 2,-0.3 1,-0.0 -2,-0.0 -0.660 38.2-161.3 -86.1 139.8 4.1 29.4 4.2 99 615 A W - 0 0 20 -2,-0.3 2,-0.3 44,-0.1 3,-0.0 -0.846 12.7-145.2-121.7 157.2 7.1 27.6 2.6 100 616 A T > - 0 0 77 -2,-0.3 4,-2.4 1,-0.1 5,-0.3 -0.801 37.6-103.1-112.9 159.0 9.7 28.3 -0.0 101 617 A K H > S+ 0 0 92 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.911 119.0 45.8 -47.0 -57.7 11.1 25.7 -2.3 102 618 A E H > S+ 0 0 143 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.864 113.3 50.6 -57.2 -40.0 14.5 25.3 -0.6 103 619 A E H > S+ 0 0 81 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.911 112.1 44.6 -67.3 -43.8 12.9 25.2 2.9 104 620 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.817 110.4 56.1 -72.4 -28.9 10.3 22.5 2.1 105 621 A L H X S+ 0 0 22 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.908 107.7 48.0 -67.7 -40.7 12.9 20.4 0.3 106 622 A N H X S+ 0 0 91 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.870 112.5 49.6 -66.2 -37.3 15.1 20.4 3.4 107 623 A V H X S+ 0 0 5 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.934 112.4 47.1 -66.1 -46.8 12.1 19.4 5.5 108 624 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.922 112.6 49.3 -61.7 -45.2 11.2 16.6 3.1 109 625 A E H X S+ 0 0 60 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.932 111.9 48.2 -61.3 -46.3 14.8 15.3 3.0 110 626 A D H X S+ 0 0 46 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.913 112.8 48.3 -60.7 -45.1 15.2 15.3 6.8 111 627 A H H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.968 115.4 43.5 -59.5 -55.3 11.9 13.5 7.3 112 628 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.4 0.932 116.6 45.3 -58.3 -50.2 12.6 10.8 4.7 113 629 A K H X S+ 0 0 71 -4,-2.9 4,-2.1 -5,-0.2 5,-0.2 0.914 114.9 48.5 -62.6 -41.6 16.2 10.2 5.7 114 630 A T H X S+ 0 0 19 -4,-2.4 4,-1.7 -5,-0.3 -2,-0.2 0.925 116.8 40.4 -64.4 -47.0 15.3 10.1 9.4 115 631 A V H X S+ 0 0 0 -4,-2.6 4,-1.4 -5,-0.2 -2,-0.2 0.940 118.6 44.3 -69.8 -48.6 12.4 7.7 9.1 116 632 A V H < S+ 0 0 0 -4,-2.5 3,-0.3 -5,-0.3 -2,-0.2 0.916 115.0 49.1 -64.7 -41.7 13.9 5.4 6.5 117 633 A S H >< S+ 0 0 55 -4,-2.1 3,-1.2 -5,-0.4 -1,-0.2 0.895 105.5 58.9 -65.7 -36.0 17.3 5.3 8.3 118 634 A H H 3< S+ 0 0 19 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.854 116.4 32.8 -60.6 -36.1 15.5 4.5 11.6 119 635 A F T >X S+ 0 0 0 -4,-1.4 3,-2.6 -3,-0.3 4,-1.3 0.161 85.2 157.6-106.5 17.8 13.9 1.4 10.2 120 636 A K T <4 S+ 0 0 107 -3,-1.2 44,-0.1 1,-0.3 -3,-0.1 -0.139 74.7 2.7 -46.9 126.4 16.8 0.5 7.9 121 637 A G T 34 S+ 0 0 37 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.250 121.0 77.1 79.4 -14.2 16.7 -3.3 7.1 122 638 A R T <4 S+ 0 0 73 -3,-2.6 2,-0.6 1,-0.2 -43,-0.4 0.641 86.3 58.5-100.7 -20.7 13.5 -3.7 9.1 123 639 A V < - 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