==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-FEB-10 3LQJ . COMPND 2 MOLECULE: MLL1 PHD3-BROMO; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.WANG,D.J.PATEL . 364 6 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21435.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 18 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0 0 0 2 0 2 0 0 0 0 0 0 0 3 0 0 0 2 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1565 A S 0 0 72 0, 0.0 180,-0.2 0, 0.0 187,-0.0 0.000 360.0 360.0 360.0 -67.0 71.9 29.9 4.6 2 1566 A G + 0 0 55 1,-0.1 2,-1.5 9,-0.0 0, 0.0 0.498 360.0 104.6 -74.0 -0.6 72.0 31.7 7.9 3 1567 A N + 0 0 39 185,-0.1 9,-1.6 26,-0.1 2,-0.3 -0.634 47.8 113.2 -86.2 85.7 69.2 29.4 8.8 4 1568 A F B -A 11 0A 74 -2,-1.5 7,-0.3 7,-0.3 26,-0.1 -0.975 69.9-108.8-153.3 139.6 70.9 26.8 11.1 5 1569 A C > - 0 0 0 5,-2.7 4,-1.8 -2,-0.3 26,-0.2 -0.517 23.8-143.3 -67.5 129.8 70.5 26.0 14.8 6 1570 A P T 4 S+ 0 0 36 0, 0.0 -1,-0.1 0, 0.0 25,-0.1 0.856 94.6 50.5 -66.2 -29.7 73.6 27.2 16.6 7 1571 A L T 4 S+ 0 0 73 1,-0.2 24,-0.1 3,-0.1 -2,-0.0 0.889 125.8 21.0 -76.2 -42.8 73.6 24.2 19.0 8 1572 A C T 4 S- 0 0 36 2,-0.2 -1,-0.2 24,-0.0 3,-0.1 0.585 94.9-136.3-100.5 -15.6 73.3 21.2 16.6 9 1573 A D < + 0 0 107 -4,-1.8 2,-0.2 1,-0.2 -2,-0.0 0.416 56.8 136.1 75.2 1.4 74.6 23.2 13.6 10 1574 A K - 0 0 106 1,-0.1 -5,-2.7 171,-0.1 -1,-0.2 -0.482 56.6-105.8 -84.9 151.7 71.9 21.8 11.3 11 1575 A a B -A 4 0A 12 -7,-0.3 2,-0.3 180,-0.2 -7,-0.3 -0.257 30.9-164.1 -70.5 154.1 69.8 23.7 8.8 12 1576 A Y - 0 0 12 -9,-1.6 2,-0.4 7,-0.0 -9,-0.1 -0.991 20.0-114.8-141.1 148.6 66.1 24.6 9.3 13 1577 A D > - 0 0 33 -2,-0.3 3,-1.0 1,-0.1 176,-0.1 -0.693 9.8-139.4 -89.7 135.8 63.4 25.8 6.9 14 1578 A D T 3 S+ 0 0 97 -2,-0.4 -1,-0.1 1,-0.2 175,-0.0 0.657 105.2 45.9 -61.5 -16.0 61.9 29.2 7.1 15 1579 A D T 3 S+ 0 0 89 1,-0.1 2,-1.4 2,-0.0 -1,-0.2 0.526 79.5 97.8-108.9 -8.8 58.6 27.4 6.4 16 1580 A D X + 0 0 38 -3,-1.0 3,-0.8 1,-0.2 -3,-0.1 -0.652 38.4 167.2 -86.4 95.4 58.4 24.3 8.6 17 1581 A Y T 3 + 0 0 145 -2,-1.4 -1,-0.2 1,-0.2 4,-0.1 0.294 65.9 74.9 -88.4 10.8 56.2 25.6 11.4 18 1582 A E T 3 S+ 0 0 169 2,-0.1 -1,-0.2 -3,-0.0 -2,-0.1 0.502 76.6 102.1 -95.0 -8.9 55.7 22.1 12.7 19 1583 A S S < S- 0 0 24 -3,-0.8 2,-0.9 1,-0.1 341,-0.1 -0.378 78.5-125.6 -72.1 151.9 59.3 22.2 14.1 20 1584 A K + 0 0 79 340,-0.1 13,-2.6 339,-0.1 14,-0.4 -0.870 54.3 139.8-103.9 98.9 59.7 22.9 17.8 21 1585 A M E -B 32 0B 0 -2,-0.9 339,-2.1 11,-0.3 2,-0.3 -0.968 40.8-140.7-139.1 155.3 62.0 25.9 17.9 22 1586 A M E -BC 31 359B 0 9,-2.8 9,-2.3 -2,-0.3 2,-0.6 -0.877 17.2-131.1-115.5 149.8 62.4 29.0 20.0 23 1587 A Q E -BC 30 358B 36 335,-2.9 335,-0.6 -2,-0.3 32,-0.5 -0.882 21.0-124.1-105.7 123.0 63.3 32.5 18.7 24 1588 A C > - 0 0 0 5,-2.7 4,-1.7 -2,-0.6 32,-0.3 -0.443 14.0-144.2 -62.0 126.4 66.0 34.4 20.5 25 1589 A G T 4 S+ 0 0 28 30,-3.1 -1,-0.2 -2,-0.2 31,-0.1 0.580 94.4 49.2 -70.3 -7.2 64.5 37.7 21.5 26 1590 A K T 4 S+ 0 0 149 29,-0.3 -1,-0.2 3,-0.1 30,-0.1 0.904 127.5 12.3 -95.3 -57.2 67.8 39.4 20.9 27 1591 A C T 4 S- 0 0 60 2,-0.1 -2,-0.1 30,-0.0 29,-0.0 0.485 91.7-126.7-102.4 -6.1 69.1 38.3 17.5 28 1592 A D < + 0 0 91 -4,-1.7 2,-0.1 1,-0.2 -3,-0.1 0.530 59.7 140.0 73.1 7.7 65.9 36.7 16.1 29 1593 A R - 0 0 62 -6,-0.1 -5,-2.7 1,-0.1 2,-0.3 -0.444 49.4-118.7 -82.3 160.1 67.6 33.4 15.3 30 1594 A W E -B 23 0B 31 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.753 24.1-170.0-102.9 145.6 65.9 30.1 15.9 31 1595 A V E -B 22 0B 0 -9,-2.3 -9,-2.8 -2,-0.3 2,-0.1 -0.999 28.5-109.3-135.0 134.1 67.0 27.2 18.1 32 1596 A H E > -B 21 0B 25 -2,-0.4 4,-0.8 -11,-0.2 -11,-0.3 -0.353 17.0-138.5 -62.4 137.8 65.7 23.7 18.4 33 1597 A S T >4>S+ 0 0 2 -13,-2.6 5,-2.3 1,-0.2 3,-1.0 0.915 105.9 52.4 -61.2 -44.4 63.8 22.9 21.6 34 1598 A K G >45S+ 0 0 144 -14,-0.4 3,-1.2 1,-0.2 -1,-0.2 0.781 102.1 59.6 -65.5 -26.8 65.5 19.5 21.8 35 1599 A C G 345S+ 0 0 26 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.730 103.2 50.7 -75.5 -19.4 68.9 21.1 21.5 36 1600 A E G <<5S- 0 0 13 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.200 122.3-112.6 -95.8 11.6 68.3 23.1 24.6 37 1601 A N T < 5 + 0 0 142 -3,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.830 64.4 155.8 60.8 36.8 67.4 19.8 26.2 38 1602 A L < - 0 0 17 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.802 38.0-135.3-100.4 134.8 63.7 20.8 26.6 39 1603 A S > - 0 0 67 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.335 32.4-104.4 -75.6 164.4 60.9 18.3 26.8 40 1604 A D H > S+ 0 0 99 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.847 123.2 56.2 -59.3 -34.5 57.7 18.9 24.8 41 1605 A E H > S+ 0 0 33 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.942 107.4 48.4 -62.3 -47.7 56.0 20.0 28.0 42 1606 A M H > S+ 0 0 26 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.916 109.3 53.0 -56.4 -44.6 58.7 22.6 28.6 43 1607 A Y H X S+ 0 0 4 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.893 110.4 47.5 -59.5 -41.0 58.3 23.8 25.1 44 1608 A E H < S+ 0 0 34 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.905 111.1 50.2 -68.8 -41.9 54.5 24.2 25.6 45 1609 A I H >X S+ 0 0 5 -4,-2.6 3,-1.8 1,-0.2 4,-0.7 0.929 110.4 50.9 -62.0 -43.3 55.0 26.0 28.9 46 1610 A L H >< S+ 0 0 0 -4,-3.0 3,-1.0 1,-0.3 -1,-0.2 0.878 103.0 57.9 -60.1 -41.0 57.5 28.3 27.1 47 1611 A S T 3< S+ 0 0 16 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.492 111.2 47.3 -68.0 -0.3 55.0 29.0 24.4 48 1612 A N T <4 S+ 0 0 82 -3,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.500 83.2 112.1-116.0 -13.3 52.8 30.2 27.3 49 1613 A L S << S- 0 0 16 -3,-1.0 23,-0.0 -4,-0.7 2,-0.0 -0.105 82.4 -81.6 -56.8 163.4 55.3 32.4 29.2 50 1614 A P > - 0 0 62 0, 0.0 3,-3.4 0, 0.0 -1,-0.1 -0.364 34.8-112.5 -70.0 151.8 54.4 36.1 29.2 51 1615 A E T 3 S+ 0 0 190 1,-0.3 307,-0.1 -3,-0.1 -2,-0.1 0.709 119.1 70.2 -52.7 -16.1 55.4 38.2 26.1 52 1616 A S T 3 S+ 0 0 114 1,-0.2 2,-0.8 305,-0.1 -1,-0.3 0.639 84.9 70.8 -77.5 -18.2 57.7 39.7 28.8 53 1617 A V S < S- 0 0 25 -3,-3.4 2,-0.3 -7,-0.1 -1,-0.2 -0.832 70.8-168.2-106.8 98.8 59.9 36.5 29.0 54 1618 A A - 0 0 51 -2,-0.8 14,-0.2 303,-0.1 2,-0.1 -0.614 21.9-123.0 -89.7 142.0 62.0 36.1 25.9 55 1619 A Y - 0 0 0 -32,-0.5 -30,-3.1 -2,-0.3 2,-0.4 -0.502 30.8-159.5 -73.0 151.4 64.0 33.0 25.0 56 1620 A T - 0 0 20 -32,-0.3 5,-0.1 -2,-0.1 -32,-0.1 -0.992 11.5-128.1-141.1 127.2 67.6 33.9 24.6 57 1621 A C > - 0 0 4 -2,-0.4 4,-0.9 -28,-0.1 3,-0.4 -0.273 35.5 -99.9 -69.3 161.5 70.3 31.9 22.7 58 1622 A V T >4 S+ 0 0 61 1,-0.2 3,-1.2 2,-0.2 -1,-0.1 0.904 119.4 42.6 -48.0 -58.3 73.6 31.0 24.4 59 1623 A N T 34 S+ 0 0 137 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.786 113.9 52.4 -65.2 -26.7 75.8 33.6 22.9 60 1624 A C T 34 S+ 0 0 40 -3,-0.4 2,-0.7 2,-0.0 -1,-0.3 0.580 89.5 96.8 -82.9 -9.7 73.2 36.3 23.3 61 1625 A T << - 0 0 13 -3,-1.2 3,-0.1 -4,-0.9 5,-0.1 -0.718 52.7-177.1 -82.4 117.6 72.9 35.3 27.0 62 1626 A E + 0 0 146 -2,-0.7 2,-0.4 1,-0.2 -1,-0.2 0.958 68.3 31.6 -79.9 -54.9 75.1 37.6 29.0 63 1627 A R S S- 0 0 198 2,-0.1 4,-0.3 0, 0.0 -1,-0.2 -0.901 91.2-108.4-110.5 133.0 74.7 36.1 32.5 64 1628 A H S S+ 0 0 123 -2,-0.4 2,-0.2 2,-0.1 3,-0.0 -0.817 95.6 53.9-106.2 147.9 74.2 32.4 33.2 65 1629 A P S S- 0 0 109 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 0.461 100.0-118.0 -63.5 146.7 72.0 30.6 34.1 66 1630 A A >> - 0 0 4 -2,-0.2 4,-1.4 1,-0.1 3,-1.1 -0.333 17.1-126.6 -58.4 136.1 70.0 32.2 31.2 67 1631 A E H 3> S+ 0 0 120 -4,-0.3 4,-2.8 1,-0.3 5,-0.2 0.850 107.6 62.0 -56.3 -36.1 67.0 34.0 32.7 68 1632 A W H 3> S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.859 101.9 54.2 -60.7 -31.2 64.5 32.1 30.6 69 1633 A R H <> S+ 0 0 93 -3,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.956 111.4 41.1 -67.2 -51.5 65.7 28.9 32.2 70 1634 A L H X S+ 0 0 84 -4,-1.4 4,-2.5 1,-0.2 5,-0.2 0.920 116.0 51.7 -63.2 -40.2 65.1 30.0 35.8 71 1635 A A H X S+ 0 0 10 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.904 110.2 49.8 -60.9 -41.4 61.8 31.7 34.7 72 1636 A L H X S+ 0 0 8 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.928 110.4 48.0 -62.5 -48.7 60.8 28.4 33.1 73 1637 A E H X S+ 0 0 95 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.919 114.6 47.0 -59.1 -45.4 61.5 26.3 36.1 74 1638 A K H X S+ 0 0 99 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.886 107.1 57.6 -63.9 -41.2 59.6 28.7 38.3 75 1639 A E H X S+ 0 0 63 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.914 106.6 47.7 -58.4 -46.4 56.7 28.9 36.0 76 1640 A L H X S+ 0 0 7 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.965 115.7 44.0 -61.0 -50.6 56.0 25.1 36.1 77 1641 A Q H X S+ 0 0 46 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.894 115.2 48.5 -62.5 -39.6 56.3 25.0 39.9 78 1642 A I H X S+ 0 0 94 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.885 112.1 48.8 -67.8 -38.6 54.1 28.1 40.4 79 1643 A S H X S+ 0 0 3 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.889 111.3 49.4 -68.5 -40.6 51.5 26.8 38.0 80 1644 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.917 113.8 46.4 -64.3 -41.9 51.3 23.4 39.7 81 1645 A K H X S+ 0 0 112 -4,-2.2 4,-3.2 -5,-0.2 5,-0.2 0.869 106.5 59.3 -67.6 -36.7 51.0 25.2 43.0 82 1646 A Q H X S+ 0 0 93 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.930 111.4 40.9 -55.9 -47.9 48.4 27.5 41.6 83 1647 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 3,-0.3 0.960 116.3 47.3 -66.8 -54.0 46.2 24.5 40.8 84 1648 A L H X S+ 0 0 4 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.908 108.9 55.4 -56.2 -44.5 46.9 22.5 44.0 85 1649 A T H X S+ 0 0 54 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.888 108.1 48.7 -56.4 -41.1 46.2 25.6 46.1 86 1650 A A H < S+ 0 0 26 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.909 111.6 49.5 -66.6 -41.0 42.8 26.0 44.5 87 1651 A L H >< S+ 0 0 3 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.903 113.5 46.8 -63.0 -41.4 42.0 22.3 45.1 88 1652 A L H 3< S+ 0 0 36 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.891 111.2 50.0 -68.1 -42.1 43.1 22.6 48.7 89 1653 A N T 3< S+ 0 0 132 -4,-2.5 2,-0.4 -5,-0.2 -1,-0.2 0.213 89.6 106.2 -84.2 15.8 41.1 25.8 49.5 90 1654 A S X - 0 0 27 -3,-0.9 3,-1.0 1,-0.1 4,-0.3 -0.771 66.8-142.3 -99.8 143.1 37.9 24.5 48.0 91 1655 A R T 3 S+ 0 0 220 -2,-0.4 3,-0.2 1,-0.2 -1,-0.1 0.610 102.1 61.3 -74.1 -11.0 34.9 23.5 50.1 92 1656 A T T 3 S+ 0 0 24 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.582 100.3 52.3 -91.2 -9.1 34.3 20.7 47.7 93 1657 A T S X S+ 0 0 0 -3,-1.0 3,-2.6 -6,-0.2 4,-0.4 0.399 71.4 108.7-105.6 1.0 37.6 18.9 48.2 94 1658 A S G > S+ 0 0 75 -4,-0.3 3,-0.8 1,-0.3 4,-0.4 0.783 77.1 55.1 -48.2 -33.9 37.5 18.7 52.0 95 1659 A H G 3 S+ 0 0 42 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.471 106.1 50.5 -83.1 -1.4 37.0 14.9 51.9 96 1660 A L G < S+ 0 0 14 -3,-2.6 11,-2.8 1,-0.1 12,-0.3 0.273 85.7 88.3-114.9 6.6 40.1 14.3 49.7 97 1661 A L S < S+ 0 0 51 -3,-0.8 11,-1.7 -4,-0.4 2,-0.4 0.885 95.9 28.0 -71.3 -40.0 42.5 16.2 52.0 98 1662 A R S S- 0 0 162 -4,-0.4 -1,-0.2 9,-0.1 2,-0.2 -0.983 73.0-136.8-133.6 128.5 43.3 13.3 54.2 99 1663 A Y 0 0 139 -2,-0.4 7,-0.1 -3,-0.1 -3,-0.1 -0.523 360.0 360.0 -75.8 143.6 43.4 9.5 53.6 100 1664 A R 0 0 213 -2,-0.2 -2,-0.0 0, 0.0 -1,-0.0 -0.951 360.0 360.0-152.2 360.0 41.8 7.4 56.3 101 ! 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 0.0 102 1703 A Q 0 0 121 0, 0.0 7,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.5 55.9 8.7 46.0 103 1704 A Q - 0 0 156 25,-0.0 7,-0.1 0, 0.0 6,-0.0 -0.764 360.0-151.9-133.6 84.6 52.3 7.8 45.3 104 1705 A P - 0 0 19 0, 0.0 28,-0.1 0, 0.0 3,-0.1 -0.269 12.4-162.7 -58.7 134.9 50.1 10.2 47.5 105 1706 A L S S+ 0 0 104 1,-0.0 2,-0.3 -6,-0.0 -7,-0.1 0.421 74.8 29.1 -99.4 0.6 46.7 8.9 48.5 106 1707 A D S >> S- 0 0 21 -7,-0.1 4,-1.5 -9,-0.1 3,-0.8 -0.966 85.9-102.5-152.5 166.6 45.4 12.3 49.4 107 1708 A L H 3> S+ 0 0 3 -11,-2.8 4,-2.7 -2,-0.3 -10,-0.2 0.820 118.0 58.5 -62.9 -33.7 45.8 16.0 48.6 108 1709 A E H 3> S+ 0 0 61 -11,-1.7 4,-1.6 -12,-0.3 -1,-0.3 0.810 107.6 50.6 -65.6 -26.1 47.9 16.7 51.7 109 1710 A G H <> S+ 0 0 7 -3,-0.8 4,-2.3 -12,-0.2 -2,-0.2 0.854 109.0 47.5 -77.4 -37.9 50.3 14.1 50.3 110 1711 A V H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.908 109.9 56.9 -66.7 -39.9 50.4 15.7 46.8 111 1712 A K H X S+ 0 0 91 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.904 110.4 41.7 -56.2 -47.0 51.0 19.0 48.7 112 1713 A R H X S+ 0 0 137 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.877 112.0 54.0 -70.8 -39.0 54.1 17.5 50.4 113 1714 A K H <>S+ 0 0 2 -4,-2.3 5,-2.3 1,-0.2 6,-0.3 0.868 113.5 45.5 -63.2 -33.7 55.4 15.8 47.3 114 1715 A M H ><5S+ 0 0 8 -4,-2.4 3,-2.4 3,-0.2 5,-0.3 0.949 108.9 51.0 -74.8 -51.8 55.1 19.2 45.6 115 1716 A D H 3<5S+ 0 0 88 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.762 106.7 57.2 -58.6 -25.7 56.8 21.4 48.2 116 1717 A Q T 3<5S- 0 0 117 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.308 119.4-113.3 -87.1 7.8 59.7 19.0 48.3 117 1718 A G T < 5S+ 0 0 46 -3,-2.4 -3,-0.2 1,-0.1 -2,-0.1 0.758 73.3 136.8 67.8 28.7 60.2 19.5 44.6 118 1719 A N < + 0 0 66 -5,-2.3 2,-0.6 -6,-0.2 -4,-0.2 0.589 46.4 85.5 -83.0 -10.9 59.2 16.0 43.5 119 1720 A Y + 0 0 1 -6,-0.3 3,-0.1 -5,-0.3 -39,-0.1 -0.831 40.1 160.6 -95.3 119.9 57.1 17.1 40.5 120 1721 A T + 0 0 105 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.381 64.3 38.7-114.4 -2.0 59.1 17.6 37.4 121 1722 A S > - 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