==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-APR-11 2YHG . COMPND 2 MOLECULE: CELLULOSE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROPHAGUS DEGRADANS; . AUTHOR J.H.HEHEMANN,C.MARSTERS,A.B.BORASTON . 411 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15230.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 9.2 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 . 2 0.5 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 0.5 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 . 32 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 1 1 1 1 0 2 0 2 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 0 4 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 . 3 1 0 1 1 0 1 0 1 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 1 1 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 1 523 A G 0 0 70 0, 0.0 2,-0.3 0, 0.0 228,-0.1 0.000 360.0 360.0 360.0 13.9 51.0 2.3 7.9 2 524 A R - 0 0 88 226,-0.1 2,-0.3 225,-0.1 29,-0.2 -0.999 360.0-138.0-140.7 148.9 49.2 2.0 11.2 3 525 A Y - 0 0 42 27,-0.5 29,-2.8 222,-0.4 2,-0.5 -0.712 23.6-118.9-101.2 154.7 46.6 4.1 13.1 4 526 A R E +ab 32 120A 4 115,-0.7 117,-2.4 -2,-0.3 2,-0.4 -0.797 37.9 176.8 -94.8 129.3 46.7 4.7 16.9 5 527 A V E -ab 33 121A 0 27,-2.1 29,-3.0 -2,-0.5 30,-0.8 -0.991 20.8-172.1-141.8 138.7 43.7 3.4 18.8 6 528 A I E -ab 35 122A 0 115,-2.5 117,-2.2 -2,-0.4 2,-0.4 -0.999 17.7-153.6-123.9 130.9 42.5 3.2 22.4 7 529 A H E -ab 36 123A 1 28,-2.4 30,-2.9 -2,-0.4 2,-0.4 -0.859 8.6-166.1-107.2 137.4 39.4 1.2 23.2 8 530 A T E -ab 37 124A 0 115,-1.3 117,-2.8 -2,-0.4 118,-0.4 -0.966 20.0-178.6-115.0 135.7 37.1 1.8 26.2 9 531 A T E -a 38 0A 1 28,-2.7 30,-2.7 -2,-0.4 2,-1.3 -0.996 35.4-139.2-144.9 135.8 34.7 -1.1 26.8 10 532 A D > - 0 0 2 -2,-0.4 3,-2.1 28,-0.2 4,-0.3 -0.404 35.6-165.8 -90.0 59.6 31.9 -2.0 29.2 11 533 A M T 3 + 0 0 2 -2,-1.3 41,-0.1 1,-0.3 -2,-0.0 -0.138 68.7 34.8 -48.7 138.0 33.0 -5.6 29.7 12 534 A G T 3 S+ 0 0 20 2,-0.4 -1,-0.3 35,-0.0 -2,-0.0 0.075 90.5 92.9 100.2 -22.7 30.3 -7.7 31.3 13 535 A A S < S- 0 0 21 -3,-2.1 -2,-0.1 1,-0.3 32,-0.0 0.863 105.6 -14.7 -65.3 -39.9 27.3 -5.9 29.7 14 536 A D > - 0 0 26 -4,-0.3 3,-1.4 30,-0.0 4,-0.5 -0.961 65.3-112.3-163.3 146.9 27.2 -8.4 26.9 15 537 A P T >> S+ 0 0 9 0, 0.0 4,-2.0 0, 0.0 3,-0.7 0.692 101.4 83.4 -60.5 -20.0 29.5 -11.1 25.4 16 538 A D H 3> S+ 0 0 19 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.856 83.5 57.8 -56.2 -34.1 29.9 -9.0 22.3 17 539 A D H <> S+ 0 0 2 -3,-1.4 4,-2.0 1,-0.2 -1,-0.3 0.873 107.1 48.9 -62.9 -39.6 32.7 -6.9 23.9 18 540 A E H <> S+ 0 0 22 -3,-0.7 4,-2.1 -4,-0.5 -1,-0.2 0.923 111.3 49.6 -61.4 -47.3 34.6 -10.1 24.5 19 541 A Q H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.919 110.7 50.4 -53.6 -50.3 34.1 -11.2 21.0 20 542 A S H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.884 107.4 52.7 -60.5 -42.3 35.3 -7.8 19.7 21 543 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.904 106.8 53.4 -63.9 -39.0 38.5 -7.8 21.7 22 544 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.944 111.3 45.7 -58.9 -47.4 39.4 -11.3 20.4 23 545 A R H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.943 111.6 51.8 -61.5 -44.6 39.1 -10.1 16.8 24 546 A Q H < S+ 0 0 0 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.907 108.2 53.2 -58.5 -41.4 41.0 -6.9 17.6 25 547 A L H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 4,-0.2 0.913 108.2 46.9 -64.5 -41.7 43.8 -8.9 19.1 26 548 A V H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.644 118.2 44.9 -76.7 -9.7 44.3 -11.2 16.1 27 549 A M T >< S+ 0 0 2 -4,-1.2 3,-2.3 -3,-0.5 -1,-0.3 0.303 83.3 106.9 -98.3 1.0 44.2 -8.0 14.0 28 550 A A G X + 0 0 1 -3,-1.3 3,-1.6 1,-0.3 5,-0.3 0.701 62.4 70.1 -68.4 -21.2 46.6 -6.1 16.3 29 551 A N G 3 S+ 0 0 8 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.711 95.5 58.3 -61.1 -19.3 49.6 -6.2 14.0 30 552 A E G < S+ 0 0 38 -3,-2.3 -27,-0.5 -28,-0.0 2,-0.3 0.469 109.4 45.9 -88.6 -2.6 47.7 -3.8 11.8 31 553 A Y S < S- 0 0 4 -3,-1.6 2,-0.7 -29,-0.2 -27,-0.2 -0.832 74.9-123.3-129.9 167.6 47.3 -1.1 14.5 32 554 A D E -a 4 0A 58 -29,-2.8 -27,-2.1 -2,-0.3 2,-0.4 -0.859 37.6-164.5-108.5 87.8 49.2 0.7 17.2 33 555 A L E +a 5 0A 6 -2,-0.7 -27,-0.2 -5,-0.3 3,-0.1 -0.655 15.7 172.9 -73.9 129.4 46.9 -0.3 20.1 34 556 A E E + 0 0 21 -29,-3.0 2,-0.3 -2,-0.4 -28,-0.2 0.435 56.7 19.4-123.3 -2.7 47.5 2.1 23.0 35 557 A G E -a 6 0A 0 -30,-0.8 -28,-2.4 2,-0.0 2,-0.4 -0.913 38.9-169.3-167.7 142.7 44.8 1.2 25.5 36 558 A I E -ac 7 84A 2 47,-2.8 49,-1.7 -2,-0.3 2,-0.5 -0.932 30.6-174.3-127.8 100.4 42.3 -1.4 26.6 37 559 A I E -ac 8 85A 0 -30,-2.9 -28,-2.7 -2,-0.4 2,-0.5 -0.894 18.3-147.8-113.5 120.0 40.2 0.3 29.2 38 560 A T E +ac 9 86A 2 47,-2.2 49,-3.1 -2,-0.5 -28,-0.2 -0.731 42.1 131.7 -86.9 127.9 37.5 -1.4 31.2 39 561 A T - 0 0 0 -30,-2.7 2,-0.2 -2,-0.5 50,-0.1 -0.599 44.0 -81.2-154.4-157.6 34.6 1.0 32.0 40 562 A T + 0 0 0 50,-0.3 87,-2.4 48,-0.3 2,-0.3 -0.568 26.0 172.6-117.9 175.5 30.9 1.5 32.1 41 563 A G B > -H 44 0B 0 3,-1.7 3,-1.9 85,-0.3 122,-0.2 -0.941 57.1 -75.2-169.9-176.8 27.9 2.4 30.0 42 564 A a T 3 S+ 0 0 10 120,-2.6 3,-0.3 1,-0.3 121,-0.1 0.698 130.8 51.3 -68.4 -12.8 24.1 2.5 30.3 43 565 A W T 3 S+ 0 0 128 1,-0.3 -1,-0.3 119,-0.2 2,-0.1 0.474 125.6 25.0 -93.8 -3.2 23.9 -1.3 30.0 44 566 A K B < +H 41 0B 50 -3,-1.9 -3,-1.7 1,-0.0 -1,-0.3 -0.628 69.6 176.8-159.8 85.0 26.6 -1.7 32.8 45 567 A K + 0 0 103 -3,-0.3 2,-0.3 -5,-0.2 46,-0.3 0.561 65.3 40.0 -82.0 -8.4 26.7 1.2 35.1 46 568 A S + 0 0 86 44,-0.2 2,-0.3 -7,-0.1 44,-0.2 -0.997 58.8 171.3-137.6 144.2 29.3 -0.0 37.5 47 569 A T - 0 0 13 42,-1.5 3,-0.1 -2,-0.3 -7,-0.1 -0.969 10.6-179.2-148.2 159.8 32.6 -1.9 37.1 48 570 A S + 0 0 87 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.554 59.8 13.7-136.2 -19.0 35.4 -2.9 39.5 49 571 A N - 0 0 86 -10,-0.1 -1,-0.3 36,-0.1 3,-0.2 -0.940 62.4-114.4-157.3 173.3 38.2 -4.8 37.8 50 572 A T > + 0 0 22 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 -0.008 64.1 128.6-102.3 25.8 39.7 -5.9 34.5 51 573 A A H > S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.837 70.8 53.3 -61.7 -35.2 39.1 -9.7 34.9 52 574 A Y H > S+ 0 0 101 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.959 114.9 41.3 -59.0 -49.2 37.4 -10.1 31.5 53 575 A V H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.913 111.1 57.0 -65.6 -39.9 40.3 -8.5 29.7 54 576 A D H X S+ 0 0 77 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.896 107.9 48.5 -55.8 -45.9 42.8 -10.3 31.9 55 577 A R H X S+ 0 0 133 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.911 112.6 47.0 -62.7 -43.3 41.4 -13.7 30.8 56 578 A I H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.912 111.2 51.4 -68.1 -40.9 41.4 -12.7 27.1 57 579 A L H X S+ 0 0 4 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.836 104.8 56.9 -67.3 -28.7 45.0 -11.4 27.4 58 580 A N H X S+ 0 0 97 -4,-1.9 4,-1.2 -5,-0.3 -1,-0.2 0.933 108.8 46.7 -65.2 -42.1 46.1 -14.7 29.0 59 581 A A H X S+ 0 0 3 -4,-1.7 4,-1.7 1,-0.2 3,-0.4 0.915 109.4 54.7 -62.3 -42.1 44.7 -16.5 25.9 60 582 A Y H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 3,-0.2 0.917 102.4 56.7 -57.9 -41.2 46.5 -14.0 23.7 61 583 A S H < S+ 0 0 44 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.842 107.5 48.8 -62.3 -30.8 49.8 -14.8 25.4 62 584 A Q H < S+ 0 0 115 -4,-1.2 4,-0.3 -3,-0.4 -1,-0.2 0.842 116.8 41.6 -74.4 -31.1 49.2 -18.5 24.4 63 585 A A H >X S+ 0 0 6 -4,-1.7 4,-2.7 -3,-0.2 3,-0.9 0.693 94.0 84.5 -84.2 -26.1 48.5 -17.5 20.8 64 586 A Y H 3X S+ 0 0 59 -4,-2.4 4,-2.6 1,-0.3 5,-0.2 0.846 81.6 58.5 -55.5 -38.0 51.2 -14.9 20.5 65 587 A P H 34 S+ 0 0 74 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.890 115.5 37.7 -60.4 -39.9 54.1 -17.3 19.6 66 588 A N H X4 S+ 0 0 37 -3,-0.9 3,-2.0 -4,-0.3 4,-0.5 0.927 113.9 53.9 -72.4 -50.1 52.1 -18.5 16.6 67 589 A L H >X S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.3 4,-0.9 0.902 103.7 57.8 -50.4 -45.0 50.6 -15.1 15.6 68 590 A S T 3< S+ 0 0 49 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.609 98.6 59.9 -69.5 -8.7 54.1 -13.6 15.5 69 591 A K T <4 S+ 0 0 84 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.582 106.1 49.5 -86.3 -12.0 55.1 -16.2 12.9 70 592 A H T <4 S+ 0 0 9 -3,-2.0 2,-0.3 -4,-0.5 -2,-0.2 0.615 120.8 5.5-104.5 -19.2 52.5 -14.9 10.5 71 593 A A S >< S- 0 0 24 -4,-0.9 3,-0.5 224,-0.1 -1,-0.3 -0.965 70.9-109.7-158.9 155.1 53.0 -11.2 10.5 72 594 A E T 3 S+ 0 0 81 -2,-0.3 -3,-0.1 1,-0.2 -4,-0.0 -0.557 89.9 35.4 -81.0 148.7 55.3 -8.5 11.9 73 595 A G T 3 + 0 0 45 1,-0.3 -1,-0.2 -2,-0.2 -42,-0.2 0.580 61.2 155.8 90.2 15.3 54.2 -6.1 14.6 74 596 A F < - 0 0 13 -3,-0.5 -1,-0.3 -10,-0.1 -45,-0.1 -0.534 50.9-111.8 -64.6 135.2 52.0 -8.1 16.9 75 597 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 -46,-0.1 -0.392 33.8-107.5 -68.3 145.6 52.1 -6.4 20.3 76 598 A T > - 0 0 63 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.391 20.4-119.5 -69.6 153.6 53.8 -8.3 23.0 77 599 A P H > S+ 0 0 26 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.915 115.9 54.3 -56.3 -37.8 51.8 -9.8 25.8 78 600 A A H > S+ 0 0 70 1,-0.2 4,-1.6 2,-0.2 -17,-0.0 0.879 107.1 49.6 -65.1 -42.6 53.7 -7.8 28.3 79 601 A Y H > S+ 0 0 92 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.941 111.0 49.3 -60.9 -45.4 52.9 -4.6 26.4 80 602 A L H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.3 4,-0.4 0.914 107.4 54.8 -63.2 -38.5 49.2 -5.4 26.3 81 603 A D H >< S+ 0 0 90 -4,-2.6 3,-1.2 1,-0.2 -1,-0.3 0.889 104.2 56.2 -57.9 -39.4 49.2 -6.1 30.0 82 604 A S H 3< S+ 0 0 78 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.697 110.2 43.3 -67.9 -20.7 50.7 -2.7 30.6 83 605 A I T << S+ 0 0 12 -3,-1.0 -47,-2.8 -4,-0.9 2,-0.9 0.256 85.4 104.5-110.4 12.0 47.8 -0.9 28.8 84 606 A N E < +c 36 0A 21 -3,-1.2 2,-0.3 -4,-0.4 -47,-0.2 -0.813 55.2 143.1 -93.6 99.7 45.0 -3.1 30.4 85 607 A V E -c 37 0A 30 -49,-1.7 -47,-2.2 -2,-0.9 2,-0.3 -0.890 51.6 -96.1-140.6 164.0 43.6 -0.6 32.9 86 608 A M E -c 38 0A 39 -2,-0.3 18,-2.6 -49,-0.2 17,-0.3 -0.662 32.3-173.4 -82.6 138.6 40.5 0.6 34.5 87 609 A G - 0 0 2 -49,-3.1 16,-0.2 -2,-0.3 2,-0.1 0.032 57.8 -20.5 -99.0-147.6 38.6 3.7 33.3 88 610 A Q - 0 0 3 1,-0.1 -1,-0.3 14,-0.1 -48,-0.3 -0.411 53.2-157.9 -65.4 139.0 35.6 5.3 34.9 89 611 A R S S+ 0 0 165 -50,-0.1 -42,-1.5 6,-0.1 2,-0.2 0.523 71.3 52.6 -95.4 -10.5 33.9 2.9 37.4 90 612 A G S S- 0 0 19 -44,-0.2 2,-0.3 5,-0.2 -50,-0.3 -0.666 93.6 -74.9-121.4 179.9 30.6 4.8 37.4 91 613 A Y > - 0 0 35 -46,-0.3 3,-0.9 -2,-0.2 4,-0.2 -0.577 66.5 -51.4 -92.2 133.2 28.1 5.9 34.8 92 614 A G G > S- 0 0 0 -2,-0.3 3,-2.0 1,-0.2 -2,-0.1 0.021 108.9 -19.2 60.4-155.5 28.2 8.8 32.4 93 615 A M G > S+ 0 0 39 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.682 124.3 79.0 -64.3 -15.5 28.9 12.4 33.4 94 616 A G G < S+ 0 0 59 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.636 97.3 44.5 -67.9 -10.3 28.0 11.4 36.9 95 617 A D G < S+ 0 0 33 -3,-2.0 2,-0.4 -4,-0.2 -1,-0.3 -0.046 97.9 93.5-119.2 32.3 31.5 9.9 37.1 96 618 A V < + 0 0 16 -3,-1.7 2,-0.3 -5,-0.2 5,-0.1 -0.974 64.0 40.6-120.9 138.9 33.3 12.9 35.5 97 619 A G S > S+ 0 0 8 -2,-0.4 3,-2.1 36,-0.0 4,-0.1 -0.920 86.7 17.1 132.2-157.3 34.9 15.8 37.4 98 620 A S T 3 S+ 0 0 107 -2,-0.3 39,-0.0 1,-0.3 -2,-0.0 -0.271 126.5 1.9 -59.6 130.8 36.9 16.7 40.4 99 621 A G T 3 S+ 0 0 82 1,-0.1 -1,-0.3 -2,-0.0 -3,-0.0 0.517 101.9 108.2 75.2 7.2 38.7 13.7 41.9 100 622 A K < + 0 0 79 -3,-2.1 -2,-0.1 33,-0.1 -1,-0.1 0.162 36.8 137.2-109.6 21.3 37.5 11.3 39.3 101 623 A D - 0 0 71 -4,-0.1 2,-0.3 4,-0.1 29,-0.0 -0.343 32.6-165.6 -62.6 148.5 40.6 10.6 37.3 102 624 A S > - 0 0 16 28,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.842 37.2-106.6-122.9 168.1 41.2 7.0 36.3 103 625 A A H > S+ 0 0 57 -17,-0.3 4,-2.0 -2,-0.3 -16,-0.2 0.922 123.3 50.0 -54.5 -42.2 44.1 5.1 35.0 104 626 A G H > S+ 0 0 0 -18,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.901 108.4 48.7 -68.3 -40.7 42.3 5.0 31.7 105 627 A S H > S+ 0 0 0 -19,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.933 113.9 47.2 -66.3 -42.7 41.5 8.7 31.6 106 628 A N H X S+ 0 0 65 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.865 108.4 56.4 -64.7 -35.3 45.1 9.6 32.4 107 629 A L H X S+ 0 0 34 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.912 106.8 49.8 -61.1 -42.8 46.3 7.0 29.7 108 630 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.924 109.8 50.4 -61.0 -48.4 44.2 8.9 27.1 109 631 A I H X S+ 0 0 13 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.946 111.1 49.0 -53.9 -48.4 45.7 12.2 28.1 110 632 A A H X S+ 0 0 61 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.888 111.2 49.7 -62.9 -37.4 49.2 10.8 27.9 111 633 A A H >< S+ 0 0 7 -4,-2.3 3,-0.6 2,-0.2 5,-0.3 0.937 111.9 46.8 -67.7 -44.8 48.6 9.3 24.4 112 634 A V H 3< S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.896 113.2 50.5 -64.6 -36.0 47.1 12.5 23.0 113 635 A D H 3< S+ 0 0 66 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.692 86.6 114.0 -71.4 -24.4 50.0 14.5 24.5 114 636 A K S << S- 0 0 108 -4,-1.0 2,-1.9 -3,-0.6 -3,-0.0 -0.215 78.8-115.1 -56.6 148.9 52.7 12.2 23.0 115 637 A D S S+ 0 0 157 2,-0.1 -1,-0.2 0, 0.0 -2,-0.1 -0.195 76.1 120.8 -82.4 51.5 55.0 13.5 20.3 116 638 A D - 0 0 29 -2,-1.9 -2,-0.0 -5,-0.3 0, 0.0 -0.964 59.9-144.7-110.4 127.1 53.7 11.2 17.6 117 639 A P S S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.658 74.3 95.6 -68.5 -16.7 52.2 13.2 14.7 118 640 A R S S- 0 0 74 1,-0.1 -2,-0.2 -115,-0.0 35,-0.0 -0.576 79.4-122.1 -73.1 140.4 49.5 10.7 14.1 119 641 A P - 0 0 35 0, 0.0 -115,-0.7 0, 0.0 2,-0.4 -0.230 24.7-125.3 -69.3 167.0 46.2 11.4 15.8 120 642 A V E -bd 4 154A 1 33,-2.7 35,-1.6 -117,-0.1 2,-0.4 -0.955 10.4-144.4-125.1 136.0 44.7 9.0 18.2 121 643 A W E -bd 5 155A 2 -117,-2.4 -115,-2.5 -2,-0.4 2,-0.4 -0.811 10.3-168.5 -88.4 135.4 41.3 7.4 18.2 122 644 A A E -bd 6 156A 0 33,-2.7 35,-1.6 -2,-0.4 2,-0.3 -0.995 15.4-157.5-120.8 133.4 39.5 6.7 21.4 123 645 A T E -bd 7 157A 0 -117,-2.2 -115,-1.3 -2,-0.4 2,-0.6 -0.772 16.4-143.5-116.8 156.8 36.5 4.5 21.2 124 646 A b E +bd 8 158A 0 33,-2.4 35,-2.5 -2,-0.3 37,-0.2 -0.886 26.2 161.8-118.9 95.2 33.3 3.9 23.1 125 647 A W S S+ 0 0 1 -117,-2.8 -116,-0.2 -2,-0.6 -1,-0.1 0.700 92.6 5.2 -79.7 -24.9 32.2 0.2 23.1 126 648 A G S S- 0 0 0 1,-0.6 36,-0.4 -118,-0.4 -85,-0.3 -0.033 132.0 -21.5-114.2-129.1 30.1 1.2 26.1 127 649 A G - 0 0 0 -87,-2.4 -1,-0.6 35,-0.3 -2,-0.2 -0.148 52.7-130.3 -73.4 175.6 29.9 4.8 27.3 128 650 A b S >> S+ 0 0 1 -4,-0.1 4,-2.2 1,-0.1 3,-1.0 0.272 70.7 114.2-106.9 10.1 32.4 7.6 26.4 129 651 A N H 3> + 0 0 0 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.691 70.0 58.9 -67.0 -18.9 33.0 8.9 30.0 130 652 A T H 3> S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.878 110.2 45.1 -70.7 -35.4 36.6 7.9 30.3 131 653 A I H <> S+ 0 0 0 -3,-1.0 4,-2.6 2,-0.2 -2,-0.2 0.915 112.4 52.0 -66.7 -44.9 37.3 10.0 27.2 132 654 A A H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.895 107.1 52.2 -61.5 -39.1 35.1 12.8 28.8 133 655 A Q H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.913 109.8 49.9 -63.9 -41.3 37.1 12.6 32.0 134 656 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.950 115.4 41.9 -58.5 -52.8 40.4 13.0 30.1 135 657 A V H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.919 113.1 53.8 -64.2 -41.6 39.1 16.1 28.1 136 658 A W H X S+ 0 0 57 -4,-3.1 4,-2.2 -5,-0.2 -1,-0.2 0.917 108.8 49.0 -57.8 -44.9 37.5 17.5 31.3 137 659 A K H X S+ 0 0 58 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.922 112.0 48.1 -64.3 -43.8 40.7 17.3 33.1 138 660 A V H >X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 3,-1.0 0.948 112.8 48.6 -60.7 -46.6 42.6 19.0 30.2 139 661 A Q H 3< S+ 0 0 77 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.874 112.6 49.9 -58.7 -35.5 40.0 21.7 30.0 140 662 A N H 3< S+ 0 0 102 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.613 122.7 28.5 -79.2 -16.3 40.2 22.2 33.8 141 663 A T H << S+ 0 0 89 -3,-1.0 2,-0.2 -4,-0.9 -2,-0.2 0.486 110.2 60.4-126.5 -9.3 44.0 22.5 34.0 142 664 A R S < S- 0 0 75 -4,-2.0 2,-0.0 -5,-0.1 0, 0.0 -0.731 80.9 -92.5-124.5 166.7 45.3 23.9 30.6 143 665 A S > - 0 0 56 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.310 40.7-105.9 -70.1 165.3 44.9 27.1 28.5 144 666 A Q H > S+ 0 0 128 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.901 122.6 51.1 -56.1 -46.7 42.4 27.4 25.8 145 667 A A H > S+ 0 0 72 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.896 110.4 48.8 -60.1 -42.0 45.1 27.0 23.1 146 668 A Q H > S+ 0 0 104 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.899 111.7 49.6 -66.3 -36.6 46.4 23.8 24.9 147 669 A L H X S+ 0 0 7 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.940 110.3 50.3 -66.9 -42.6 42.9 22.4 25.0 148 670 A D H X S+ 0 0 79 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.893 110.7 49.4 -63.4 -39.4 42.3 23.2 21.3 149 671 A A H X S+ 0 0 44 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.921 110.0 51.2 -64.5 -42.4 45.5 21.5 20.5 150 672 A F H >< S+ 0 0 1 -4,-2.2 3,-1.3 1,-0.2 4,-0.5 0.958 111.2 48.0 -56.3 -52.4 44.6 18.4 22.5 151 673 A I H >< S+ 0 0 8 -4,-2.8 3,-1.3 1,-0.3 26,-0.3 0.870 104.4 60.7 -59.2 -37.4 41.2 18.2 20.8 152 674 A S H 3< S+ 0 0 72 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.734 105.5 47.6 -65.4 -22.6 42.8 18.5 17.4 153 675 A K T << S+ 0 0 72 -3,-1.3 -33,-2.7 -4,-0.8 2,-0.3 0.464 102.2 78.6 -97.6 -1.9 44.8 15.3 17.9 154 676 A L E < -d 120 0A 0 -3,-1.3 23,-0.6 -4,-0.5 2,-0.3 -0.718 51.5-175.5-105.3 154.0 41.9 13.2 19.2 155 677 A R E -de 121 177A 34 -35,-1.6 -33,-2.7 -2,-0.3 2,-0.4 -0.975 13.0-148.3-142.0 146.7 39.0 11.4 17.4 156 678 A V E -de 122 178A 0 21,-2.4 23,-2.5 -2,-0.3 2,-0.5 -0.970 10.4-170.5-119.4 133.4 36.1 9.6 18.9 157 679 A Y E -de 123 179A 0 -35,-1.6 -33,-2.4 -2,-0.4 2,-0.5 -0.960 16.3-172.2-118.6 106.9 34.3 6.5 17.5 158 680 A D E -de 124 180A 1 21,-3.2 23,-2.3 -2,-0.5 2,-0.8 -0.894 18.0-138.9-102.7 120.8 31.2 6.0 19.7 159 681 A I E S- e 0 181A 0 -35,-2.5 2,-0.6 -2,-0.5 23,-0.2 -0.762 73.4 -39.7 -82.7 109.9 29.1 2.8 19.1 160 682 A L S S- 0 0 22 21,-2.7 -1,-0.2 -2,-0.8 20,-0.1 0.124 98.1 -80.3 71.7 -19.9 25.4 3.7 19.3 161 683 A G + 0 0 0 -2,-0.6 94,-3.0 -35,-0.2 97,-0.2 0.793 55.4 173.4 83.8 97.7 25.5 6.2 22.3 162 684 A Q + 0 0 12 -36,-0.4 -120,-2.6 1,-0.2 -35,-0.3 0.316 61.4 26.3-128.1 8.4 25.7 4.5 25.6 163 685 A D S > S- 0 0 0 -37,-0.2 4,-0.7 -122,-0.2 3,-0.5 -0.975 73.2-116.7-157.0 169.1 26.2 7.4 28.0 164 686 A N H > S+ 0 0 23 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.592 103.1 76.4 -78.1 -8.9 25.5 11.1 28.2 165 687 A A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.843 90.3 53.4 -75.3 -34.4 29.3 11.8 28.3 166 688 A G H > S+ 0 0 0 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.923 110.4 48.3 -61.4 -43.0 29.7 11.2 24.6 167 689 A T H X S+ 0 0 0 -4,-0.7 4,-2.5 2,-0.2 5,-0.2 0.921 108.0 54.5 -63.5 -42.0 27.0 13.7 24.0 168 690 A W H X S+ 0 0 31 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.914 109.4 49.4 -56.6 -42.1 28.6 16.2 26.4 169 691 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.940 111.0 47.1 -62.1 -49.4 31.8 15.9 24.3 170 692 A A H < S+ 0 0 6 -4,-2.3 99,-0.3 1,-0.2 -1,-0.2 0.885 117.1 44.4 -63.3 -37.7 30.1 16.5 21.0 171 693 A K H < S+ 0 0 84 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.893 120.2 37.9 -70.6 -47.3 28.2 19.5 22.3 172 694 A N H < S+ 0 0 72 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.702 122.9 39.5 -83.2 -21.0 31.1 21.1 24.2 173 695 A F >< + 0 0 15 -4,-2.2 3,-2.1 -5,-0.2 -1,-0.2 -0.649 62.0 168.3-129.1 71.1 33.8 20.4 21.7 174 696 A P T 3 S+ 0 0 87 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.699 75.7 61.8 -65.1 -16.8 32.4 20.9 18.2 175 697 A N T 3 S+ 0 0 134 -3,-0.1 2,-0.5 2,-0.1 -5,-0.1 0.529 80.5 102.4 -84.0 -4.3 35.9 20.7 16.7 176 698 A L S < S- 0 0 10 -3,-2.1 2,-0.5 -7,-0.2 -21,-0.1 -0.673 81.9-122.0 -75.0 124.9 36.4 17.2 17.9 177 699 A I E +e 155 0A 41 -23,-0.6 -21,-2.4 -2,-0.5 2,-0.4 -0.576 44.1 177.4 -67.0 119.7 35.9 14.6 15.1 178 700 A Y E -e 156 0A 4 -2,-0.5 93,-2.6 -23,-0.2 2,-0.5 -0.985 17.8-170.5-139.9 117.7 33.1 12.5 16.7 179 701 A I E -ef 157 271A 0 -23,-2.5 -21,-3.2 -2,-0.4 2,-0.6 -0.939 7.3-170.1-107.0 128.6 31.3 9.6 15.1 180 702 A R E -e 158 0A 1 91,-2.9 2,-0.4 -2,-0.5 93,-0.3 -0.922 21.3-160.4-111.6 97.0 28.2 8.0 16.7 181 703 A A E +e 159 0A 0 -23,-2.3 -21,-2.7 -2,-0.6 3,-0.1 -0.659 24.9 161.9 -83.0 133.3 27.8 4.9 14.6 182 704 A R + 0 0 95 -2,-0.4 2,-1.3 -23,-0.2 3,-0.2 0.592 57.5 75.9-123.3 -19.7 24.4 3.2 14.6 183 705 A S + 0 0 39 1,-0.2 94,-0.4 92,-0.1 3,-0.3 -0.468 57.8 125.1 -97.6 65.2 24.2 0.9 11.6 184 706 A V + 0 0 0 -2,-1.3 -1,-0.2 1,-0.2 35,-0.1 0.167 51.0 72.9-110.9 15.1 26.4 -1.7 13.1 185 707 A Y S S+ 0 0 96 -3,-0.2 -1,-0.2 1,-0.1 30,-0.1 0.315 76.2 70.5-118.8 2.1 24.1 -4.8 12.8 186 708 A S S S+ 0 0 64 -3,-0.3 -1,-0.1 1,-0.1 -2,-0.1 0.504 89.3 57.0-107.4 -2.0 24.0 -5.9 9.1 187 709 A W S S+ 0 0 2 -3,-0.1 -1,-0.1 2,-0.0 -2,-0.1 0.538 73.5 125.1-104.6 -12.5 27.5 -7.3 8.5 188 710 A Q - 0 0 40 27,-0.1 2,-0.1 1,-0.1 28,-0.0 -0.066 54.8-124.3 -66.5 149.8 27.8 -10.0 11.0 189 711 A P - 0 0 15 0, 0.0 26,-0.1 0, 0.0 -1,-0.1 -0.388 36.9 -88.1 -81.0 170.3 28.7 -13.6 10.3 190 712 A S > - 0 0 69 -2,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.276 29.0-113.4 -77.4 162.4 26.6 -16.6 11.4 191 713 A D H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.855 119.0 54.5 -61.9 -35.4 26.8 -18.5 14.7 192 714 A S H > S+ 0 0 70 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.889 104.2 53.4 -67.4 -41.2 28.0 -21.5 12.7 193 715 A Y H >>S+ 0 0 25 1,-0.2 4,-2.8 2,-0.2 5,-0.6 0.926 110.7 48.5 -53.8 -47.3 30.8 -19.5 11.1 194 716 A L H X>S+ 0 0 2 -4,-1.9 5,-3.0 1,-0.2 4,-1.6 0.946 112.7 46.9 -63.2 -46.4 31.9 -18.5 14.6 195 717 A D H <>S+ 0 0 91 -4,-2.2 5,-0.7 3,-0.2 -1,-0.2 0.922 121.6 35.5 -60.9 -45.1 31.7 -22.1 15.9 196 718 A N H <5S+ 0 0 90 -4,-2.7 -2,-0.2 3,-0.1 -1,-0.2 0.863 130.2 25.4 -79.8 -40.8 33.6 -23.6 13.0 197 719 A H H <5S+ 0 0 61 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.653 133.3 19.8-100.4 -20.9 36.2 -20.9 12.1 198 720 A I T >< S- 0 0 23 -3,-1.9 4,-1.4 1,-0.1 3,-0.4 -0.622 91.0 -85.9 -92.9 79.6 40.7 -22.3 17.1 202 724 A G H > S- 0 0 39 -2,-1.3 4,-2.0 1,-0.2 -1,-0.1 -0.035 83.1 -21.6 66.7-158.8 42.8 -22.7 20.2 203 725 A A H > S+ 0 0 28 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.839 135.6 48.5 -62.1 -42.5 43.0 -20.5 23.3 204 726 A L H >4 S+ 0 0 1 -3,-0.4 3,-0.9 -145,-0.3 -1,-0.2 0.887 110.3 52.4 -68.1 -36.5 41.6 -17.3 21.8 205 727 A G H >< S+ 0 0 1 -4,-1.4 3,-1.5 1,-0.2 -2,-0.2 0.900 103.1 59.0 -62.5 -34.2 38.7 -19.2 20.3 206 728 A A H 3< S+ 0 0 72 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.661 106.7 47.1 -70.8 -18.6 38.0 -20.6 23.7 207 729 A V T << S+ 0 0 12 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.268 87.5 97.2-105.2 12.6 37.5 -17.0 25.1 208 730 A Y S < S- 0 0 4 -3,-1.5 -189,-0.1 -4,-0.2 -192,-0.1 -0.873 70.1-152.2 -95.5 104.8 35.3 -15.9 22.2 209 731 A P - 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