==== 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 06-DEC-05 2D8L . COMPND 2 MOLECULE: PUTATIVE GLYCOSYL HYDROLASE YTER; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR T.ITOH,A.OCHIAI,B.MIKAMI,W.HASHIMOTO,K.MURATA . 363 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14823.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 72.7 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 . 21 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 45.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 1 0 0 1 0 1 0 0 0 2 2 1 3 0 1 1 0 0 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 . 5 1 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 . 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 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 11 A K 0 0 155 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-171.5 10.9 32.8 28.6 2 12 A S >> - 0 0 18 1,-0.1 4,-1.2 357,-0.0 3,-1.0 -0.562 360.0-115.3 -77.6 147.3 8.5 35.3 26.9 3 13 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 3,-0.3 0.864 113.0 54.8 -51.3 -44.7 8.7 35.3 23.1 4 14 A L H 3> S+ 0 0 28 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.803 100.9 60.4 -63.7 -30.1 10.0 38.9 22.8 5 15 A T H <> S+ 0 0 63 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.936 110.2 40.8 -60.5 -47.4 13.0 38.1 25.2 6 16 A Y H X S+ 0 0 22 -4,-1.2 4,-2.5 -3,-0.3 5,-0.3 0.852 112.9 55.5 -69.0 -37.0 14.2 35.4 22.7 7 17 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.940 111.0 43.9 -61.6 -46.8 13.5 37.6 19.8 8 18 A E H X S+ 0 0 51 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.904 111.4 54.4 -64.8 -38.1 15.6 40.4 21.2 9 19 A A H X S+ 0 0 35 -4,-2.1 4,-2.1 -5,-0.2 305,-0.5 0.927 112.7 42.8 -61.1 -44.5 18.4 37.9 22.1 10 20 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.936 114.1 50.0 -68.4 -46.6 18.6 36.6 18.6 11 21 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 -5,-0.3 5,-0.2 0.953 113.5 45.1 -57.5 -48.0 18.3 40.0 16.9 12 22 A N H X S+ 0 0 34 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.892 110.7 55.4 -65.2 -37.1 21.1 41.5 19.1 13 23 A T H X S+ 0 0 13 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.946 112.8 41.1 -58.5 -47.5 23.2 38.4 18.6 14 24 A I H X S+ 0 0 2 -4,-2.9 4,-2.4 1,-0.2 3,-0.2 0.948 112.9 53.0 -70.3 -40.6 23.0 38.8 14.8 15 25 A M H < S+ 0 0 27 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.857 111.0 48.9 -58.7 -32.0 23.5 42.5 15.0 16 26 A N H < S+ 0 0 136 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.824 109.9 52.7 -77.0 -26.0 26.6 41.9 17.0 17 27 A T H < S+ 0 0 77 -4,-1.7 2,-0.4 -3,-0.2 -2,-0.2 0.889 116.6 30.6 -73.6 -40.4 27.8 39.3 14.5 18 28 A Y < - 0 0 70 -4,-2.4 -1,-0.2 -5,-0.1 2,-0.1 -0.964 63.3-143.6-128.2 134.9 27.5 41.5 11.4 19 29 A T >> - 0 0 70 -2,-0.4 4,-1.6 -3,-0.1 3,-1.6 -0.468 47.8-101.5 -69.9 164.1 27.8 45.2 10.6 20 30 A V T 34 S+ 0 0 12 1,-0.3 7,-0.4 2,-0.2 -1,-0.1 0.838 127.2 59.2 -61.4 -31.3 25.3 46.1 8.0 21 31 A E T 34 S+ 0 0 106 1,-0.2 -1,-0.3 5,-0.1 6,-0.1 0.729 112.9 39.9 -66.0 -19.8 28.2 46.0 5.4 22 32 A E T <4 S+ 0 0 99 -3,-1.6 4,-0.3 4,-0.2 -2,-0.2 0.702 77.4 122.1 -98.8 -24.0 28.7 42.3 6.5 23 33 A L S < S- 0 0 0 -4,-1.6 5,-0.4 1,-0.1 4,-0.3 -0.183 79.4 -74.8 -48.3 111.2 25.0 41.2 6.8 24 34 A P S S+ 0 0 39 0, 0.0 317,-0.1 0, 0.0 -1,-0.1 -0.341 125.0 37.1 -79.7 148.8 25.2 38.3 4.2 25 35 A P S > S- 0 0 38 0, 0.0 3,-1.9 0, 0.0 -2,-0.1 0.318 108.3-127.3 -68.6 123.8 25.2 38.1 1.3 26 36 A A T 3 S- 0 0 60 -4,-0.3 -4,-0.2 1,-0.3 -5,-0.1 -0.142 77.8 -2.1 -57.4 136.5 27.3 41.1 2.0 27 37 A N T 3 S+ 0 0 103 -7,-0.4 2,-0.4 -4,-0.3 -1,-0.3 0.658 105.3 120.2 58.1 27.4 26.5 44.4 0.2 28 38 A R < - 0 0 53 -3,-1.9 2,-0.7 -5,-0.4 -1,-0.2 -0.960 65.9-131.3-117.9 139.6 23.7 42.7 -1.7 29 39 A W + 0 0 2 42,-0.5 44,-0.4 -2,-0.4 2,-0.3 -0.777 55.0 139.5 -79.5 113.1 20.0 43.6 -1.7 30 40 A H > - 0 0 13 -2,-0.7 4,-2.2 42,-0.1 3,-0.2 -0.977 65.7-104.1-157.6 166.8 18.4 40.2 -1.1 31 41 A Y H > S+ 0 0 14 -2,-0.3 4,-3.5 47,-0.3 5,-0.3 0.684 108.6 70.2 -74.9 -20.4 15.6 38.4 0.8 32 42 A H H > S+ 0 0 41 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.970 112.7 30.0 -56.7 -56.6 17.9 36.9 3.4 33 43 A Q H > S+ 0 0 0 -3,-0.2 4,-3.1 1,-0.2 5,-0.2 0.869 117.1 61.6 -67.4 -37.6 18.5 40.3 4.9 34 44 A G H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.932 108.7 40.9 -57.0 -47.0 15.0 41.5 3.9 35 45 A V H X S+ 0 0 0 -4,-3.5 4,-2.0 2,-0.2 -1,-0.2 0.899 115.3 50.4 -72.6 -38.0 13.3 38.8 6.0 36 46 A F H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.3 -2,-0.2 0.948 114.4 45.2 -57.3 -45.7 15.7 39.3 9.0 37 47 A L H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.3 -2,-0.2 0.807 105.8 58.2 -75.8 -27.7 15.2 43.0 8.9 38 48 A C H X S+ 0 0 14 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.911 110.2 48.0 -56.1 -44.3 11.4 42.6 8.5 39 49 A G H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.3 0.952 111.2 47.6 -59.3 -55.1 11.8 40.8 11.8 40 50 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.890 112.9 49.1 -57.8 -39.4 14.0 43.5 13.4 41 51 A L H X S+ 0 0 4 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.872 110.0 50.8 -71.6 -33.3 11.5 46.2 12.3 42 52 A R H X S+ 0 0 58 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.904 110.9 50.1 -61.0 -41.7 8.6 44.2 13.7 43 53 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 6,-0.3 0.883 107.1 54.2 -64.7 -40.2 10.7 44.0 16.9 44 54 A W H X S+ 0 0 42 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.916 109.7 47.5 -59.4 -44.7 11.2 47.7 16.7 45 55 A E H < S+ 0 0 117 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.926 114.8 46.8 -61.9 -44.4 7.4 48.1 16.6 46 56 A A H < S+ 0 0 54 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.905 127.9 22.5 -65.3 -42.7 6.9 45.7 19.5 47 57 A T H < S- 0 0 49 -4,-2.8 -2,-0.2 2,-0.1 -3,-0.2 0.680 87.1-133.0-102.6 -22.3 9.6 47.2 21.8 48 58 A G < + 0 0 55 -4,-3.2 2,-0.8 -5,-0.3 -4,-0.1 0.541 52.5 151.0 73.6 6.1 10.1 50.8 20.7 49 59 A E >> - 0 0 82 -6,-0.3 3,-1.6 -5,-0.2 4,-0.8 -0.625 36.8-156.4 -78.9 111.9 13.9 50.2 20.8 50 60 A K H 3> S+ 0 0 139 -2,-0.8 4,-3.2 1,-0.3 5,-0.2 0.715 84.0 72.8 -61.4 -26.5 15.4 52.6 18.2 51 61 A R H 3> S+ 0 0 85 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.862 96.7 52.3 -61.0 -29.6 18.5 50.5 17.7 52 62 A Y H <> S+ 0 0 0 -3,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.942 111.9 45.1 -69.7 -45.0 16.4 48.0 15.8 53 63 A F H X S+ 0 0 19 -4,-0.8 4,-3.0 1,-0.2 5,-0.2 0.931 113.1 51.4 -59.6 -49.7 15.0 50.7 13.6 54 64 A E H X S+ 0 0 101 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.888 107.9 50.5 -59.7 -39.5 18.5 52.2 13.1 55 65 A Y H X S+ 0 0 26 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.968 113.2 45.9 -66.6 -48.9 20.2 48.9 12.1 56 66 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 3,-0.3 0.938 113.1 50.2 -54.4 -52.7 17.5 48.2 9.5 57 67 A K H X S+ 0 0 56 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.869 107.3 55.2 -56.4 -36.2 17.7 51.8 8.2 58 68 A A H X S+ 0 0 39 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.891 107.0 49.1 -69.1 -37.5 21.5 51.5 7.9 59 69 A Y H X S+ 0 0 0 -4,-1.9 4,-1.5 -3,-0.3 -1,-0.2 0.938 113.0 47.7 -64.7 -43.9 21.2 48.4 5.7 60 70 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 3,-0.3 0.930 112.8 48.7 -58.9 -44.6 18.7 50.2 3.5 61 71 A D H < S+ 0 0 52 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.754 104.7 59.4 -73.0 -19.6 20.9 53.2 3.3 62 72 A L H < S+ 0 0 54 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.916 117.2 32.0 -68.6 -37.9 23.9 51.1 2.5 63 73 A L H < S+ 0 0 24 -4,-1.5 2,-0.5 -3,-0.3 8,-0.5 0.670 113.9 61.1 -93.7 -25.2 22.1 49.8 -0.7 64 74 A I S < S- 0 0 1 -4,-2.4 6,-0.2 -5,-0.2 -1,-0.1 -0.921 74.4-152.0-110.2 122.1 20.0 52.8 -1.7 65 75 A D > - 0 0 70 4,-2.2 3,-1.7 -2,-0.5 -2,-0.1 -0.021 38.7 -76.9 -87.5-167.5 21.8 56.0 -2.5 66 76 A D T 3 S+ 0 0 134 1,-0.3 -1,-0.1 2,-0.1 31,-0.1 0.743 130.1 46.5 -61.1 -26.7 20.8 59.7 -2.3 67 77 A N T 3 S- 0 0 102 2,-0.1 -1,-0.3 30,-0.0 -2,-0.0 0.323 121.1-100.8-100.8 9.4 18.7 59.5 -5.4 68 78 A G S < S+ 0 0 0 -3,-1.7 2,-0.2 1,-0.3 36,-0.2 0.640 70.2 155.1 87.3 6.6 16.9 56.3 -4.5 69 79 A N + 0 0 69 35,-0.0 -4,-2.2 -5,-0.0 2,-0.3 -0.511 16.8 179.3 -78.6 143.7 19.1 54.2 -6.8 70 80 A L - 0 0 9 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.1 -0.994 22.5-144.8-145.6 133.4 19.5 50.5 -6.0 71 81 A L + 0 0 145 -8,-0.5 -42,-0.5 -2,-0.3 2,-0.3 -0.846 39.0 141.5 -96.5 138.8 21.4 47.6 -7.6 72 82 A F - 0 0 27 -2,-0.4 2,-0.9 -44,-0.1 -42,-0.1 -0.944 62.0 -72.8-162.2 173.5 19.7 44.2 -7.4 73 83 A R > - 0 0 121 -44,-0.4 3,-1.7 -2,-0.3 6,-0.3 -0.717 45.4-159.7 -81.7 106.6 19.1 40.9 -9.4 74 84 A R T 3 S+ 0 0 155 -2,-0.9 -1,-0.1 1,-0.3 37,-0.1 0.463 82.0 49.0 -77.8 -4.9 16.6 42.3 -11.9 75 85 A D T 3 S+ 0 0 39 37,-0.1 2,-0.5 48,-0.0 -1,-0.3 0.426 93.0 94.7-107.5 -0.3 15.1 38.9 -12.9 76 86 A E X - 0 0 13 -3,-1.7 3,-1.4 47,-0.2 4,-0.5 -0.784 58.5-155.8-104.4 132.0 14.4 37.5 -9.5 77 87 A L G >> S+ 0 0 6 45,-1.8 3,-1.6 -2,-0.5 4,-0.9 0.881 100.0 70.8 -57.1 -32.3 11.3 37.6 -7.3 78 88 A D G 34 S+ 0 0 12 44,-0.4 4,-0.5 1,-0.3 -47,-0.3 0.731 89.5 59.5 -55.7 -28.1 13.8 37.2 -4.6 79 89 A A G <4 S+ 0 0 0 -3,-1.4 -1,-0.3 -6,-0.3 4,-0.2 0.703 99.2 57.5 -73.4 -22.6 15.0 40.8 -5.2 80 90 A I T X4 S+ 0 0 0 -3,-1.6 3,-1.9 -4,-0.5 4,-0.3 0.817 87.0 75.3 -80.4 -33.9 11.6 42.2 -4.4 81 91 A Q G >< S+ 0 0 0 -4,-0.9 3,-2.4 1,-0.3 4,-0.2 0.829 86.9 59.4 -54.2 -45.1 11.1 40.8 -0.9 82 92 A A G > S+ 0 0 0 -4,-0.5 3,-2.2 1,-0.3 4,-0.3 0.748 86.6 79.5 -61.5 -18.3 13.5 43.3 0.9 83 93 A G G X> S+ 0 0 0 -3,-1.9 3,-1.9 1,-0.3 4,-0.5 0.742 74.0 78.2 -57.4 -21.2 11.3 46.1 -0.4 84 94 A L G X4 S+ 0 0 22 -3,-2.4 3,-0.8 -4,-0.3 -1,-0.3 0.816 86.1 59.7 -58.7 -27.0 9.0 45.2 2.5 85 95 A I G <> S+ 0 0 0 -3,-2.2 4,-1.6 1,-0.2 -1,-0.3 0.717 91.3 70.9 -72.5 -17.8 11.4 47.1 4.8 86 96 A L H <> S+ 0 0 3 -3,-1.9 4,-2.7 -4,-0.3 5,-0.2 0.804 88.4 60.8 -70.4 -27.6 10.8 50.3 2.7 87 97 A F H S+ 0 0 30 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.868 117.0 52.7 -64.9 -35.9 8.0 51.2 7.7 89 99 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 6,-0.4 0.940 113.4 42.8 -62.2 -45.7 11.2 53.2 6.9 90 100 A Y H X S+ 0 0 43 -4,-2.7 4,-3.9 1,-0.2 -1,-0.2 0.938 112.2 53.9 -64.8 -43.7 9.3 55.6 4.7 91 101 A E H < S+ 0 0 126 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.894 115.0 40.6 -59.1 -37.4 6.4 55.8 7.2 92 102 A Q H < S+ 0 0 108 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.896 130.8 23.5 -78.2 -38.8 8.8 56.8 10.0 93 103 A T H < S- 0 0 45 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.646 80.8-142.9-101.8 -19.7 11.1 59.1 8.1 94 104 A K < + 0 0 111 -4,-3.9 2,-0.9 -5,-0.2 -4,-0.2 0.680 45.0 156.8 48.1 26.6 9.0 60.3 5.1 95 105 A D > - 0 0 51 -6,-0.4 3,-2.3 1,-0.2 4,-0.5 -0.709 38.9-150.1 -83.6 110.4 12.3 60.1 3.1 96 106 A E T 3> S+ 0 0 88 -2,-0.9 4,-2.6 1,-0.3 3,-0.2 0.613 86.3 82.0 -55.0 -19.2 11.2 59.8 -0.5 97 107 A R H 3> S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.876 91.1 52.2 -49.4 -38.0 14.4 57.8 -1.3 98 108 A Y H <> S+ 0 0 0 -3,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.893 109.3 46.4 -74.7 -34.2 12.5 54.8 0.1 99 109 A V H > S+ 0 0 11 -4,-0.5 4,-2.5 -3,-0.2 -1,-0.2 0.880 111.1 54.0 -71.5 -36.7 9.4 55.2 -2.1 100 110 A K H X S+ 0 0 99 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.936 110.6 44.9 -60.4 -46.5 11.7 55.7 -5.1 101 111 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.905 111.9 54.1 -61.6 -41.3 13.5 52.4 -4.4 102 112 A A H X S+ 0 0 2 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.900 105.1 52.9 -61.9 -38.8 10.2 50.8 -3.8 103 113 A K H X S+ 0 0 124 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.871 104.1 56.6 -68.4 -31.5 8.9 52.0 -7.2 104 114 A R H < S+ 0 0 88 -4,-1.6 4,-0.4 2,-0.2 -1,-0.2 0.907 112.2 42.0 -60.7 -41.2 12.0 50.4 -8.9 105 115 A L H >< S+ 0 0 0 -4,-1.8 3,-1.1 1,-0.2 4,-0.4 0.922 112.8 52.3 -72.6 -41.4 11.1 47.1 -7.4 106 116 A R H >< S+ 0 0 26 -4,-3.0 3,-1.3 1,-0.2 4,-0.4 0.850 102.5 61.1 -61.7 -32.2 7.4 47.4 -8.1 107 117 A S G >< S+ 0 0 59 -4,-2.0 3,-0.6 1,-0.3 4,-0.5 0.728 87.9 76.0 -70.2 -14.0 8.3 48.2 -11.7 108 118 A L G X> S+ 0 0 7 -3,-1.1 3,-1.4 -4,-0.4 4,-1.0 0.836 76.7 73.0 -66.5 -27.0 9.8 44.8 -12.0 109 119 A Y G X4 S+ 0 0 2 -3,-1.3 3,-0.7 -4,-0.4 -1,-0.2 0.903 96.2 50.2 -59.3 -36.6 6.5 43.0 -12.2 110 120 A G G <4 S+ 0 0 70 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.645 109.8 51.5 -77.3 -13.0 5.9 44.2 -15.8 111 121 A T G <4 S+ 0 0 91 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.525 88.0 100.6 -93.6 -13.8 9.4 43.1 -16.9 112 122 A L S << S- 0 0 14 -4,-1.0 2,-0.1 -3,-0.7 -37,-0.1 -0.478 73.5-114.3 -84.5 153.0 9.3 39.5 -15.7 113 123 A N - 0 0 74 -2,-0.1 8,-2.4 -38,-0.1 2,-0.3 -0.388 36.8-156.9 -76.9 157.2 8.6 36.5 -17.9 114 124 A R B -A 120 0A 91 6,-0.2 6,-0.2 -2,-0.1 5,-0.1 -0.945 19.7-107.4-138.3 152.8 5.5 34.5 -17.2 115 125 A T > - 0 0 5 4,-3.5 3,-2.0 -2,-0.3 6,-0.1 -0.191 56.4 -90.4 -65.2 171.8 3.8 31.1 -17.5 116 126 A S T 3 S+ 0 0 95 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.842 129.0 46.1 -63.0 -29.0 1.0 30.9 -20.1 117 127 A E T 3 S- 0 0 98 2,-0.1 -1,-0.3 43,-0.0 47,-0.1 0.385 129.1 -92.1 -95.8 6.7 -1.7 31.9 -17.6 118 128 A G S < S+ 0 0 13 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.504 72.7 146.2 107.3 3.7 0.4 34.7 -16.2 119 129 A G - 0 0 0 1,-0.1 -4,-3.5 41,-0.1 -1,-0.3 -0.601 52.0-111.3 -81.1 137.7 2.3 33.3 -13.3 120 130 A F B -A 114 0A 8 -2,-0.3 -6,-0.2 -6,-0.2 2,-0.2 -0.326 24.6-118.7 -65.9 139.5 5.8 34.8 -12.8 121 131 A W - 0 0 37 -8,-2.4 9,-0.2 1,-0.1 -44,-0.2 -0.581 23.6-124.9 -66.1 143.7 8.8 32.7 -13.4 122 132 A H S S- 0 0 4 7,-2.7 -45,-1.8 4,-0.5 -44,-0.4 0.909 86.6 -18.7 -60.1 -44.1 10.8 32.4 -10.2 123 133 A K > - 0 0 41 3,-0.4 3,-1.6 6,-0.2 6,-0.3 -0.958 68.8-104.1-146.8 167.9 13.8 33.7 -12.0 124 134 A D T 3 S+ 0 0 80 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.872 124.4 58.1 -58.8 -35.3 14.9 34.0 -15.7 125 135 A G T 3 S+ 0 0 60 1,-0.3 -1,-0.3 -4,-0.1 -49,-0.0 0.494 102.5 55.0 -73.8 -1.9 17.1 31.1 -14.9 126 136 A Y S X S- 0 0 59 -3,-1.6 3,-1.9 3,-0.1 -4,-0.5 -0.536 85.6-162.7-127.6 62.5 14.1 29.0 -13.9 127 137 A P T 3 - 0 0 49 0, 0.0 57,-0.2 0, 0.0 3,-0.1 -0.263 69.9 -2.2 -57.5 133.3 11.9 29.3 -17.0 128 138 A Y T 3 S+ 0 0 93 1,-0.2 55,-2.8 -9,-0.1 2,-0.5 0.606 101.9 129.9 64.1 19.7 8.2 28.5 -16.6 129 139 A Q E < -B 182 0B 1 -3,-1.9 -7,-2.7 -6,-0.3 2,-0.5 -0.917 40.0-168.4-111.7 123.3 8.8 27.5 -13.0 130 140 A M E -B 181 0B 4 51,-2.5 51,-2.2 -2,-0.5 2,-0.4 -0.921 8.9-167.6-103.4 126.2 6.7 28.8 -10.1 131 141 A W E > -B 180 0B 12 -2,-0.5 3,-1.8 49,-0.2 4,-0.3 -0.935 27.3-127.7-111.9 140.5 8.1 28.1 -6.6 132 142 A L T >> S+ 0 0 0 47,-2.9 3,-2.3 -2,-0.4 4,-0.7 0.830 105.8 68.5 -56.1 -33.6 6.0 28.6 -3.5 133 143 A D H >> S+ 0 0 5 46,-0.3 4,-1.8 1,-0.3 3,-0.8 0.821 88.0 68.0 -52.8 -32.6 8.7 30.7 -1.9 134 144 A G H <> S+ 0 0 4 -3,-1.8 4,-2.3 1,-0.2 5,-0.4 0.671 85.3 67.5 -68.6 -15.1 8.0 33.4 -4.6 135 145 A L H <> S+ 0 0 3 -3,-2.3 4,-2.2 -4,-0.3 -1,-0.2 0.939 108.2 38.9 -68.8 -39.0 4.5 34.1 -3.1 136 146 A Y H << S+ 0 0 5 -3,-0.8 5,-0.4 -4,-0.7 -2,-0.2 0.889 115.8 53.2 -71.1 -38.1 6.2 35.6 -0.1 137 147 A M H < S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.911 128.9 14.8 -66.8 -38.6 9.0 37.2 -2.2 138 148 A G H X S+ 0 0 8 -4,-2.3 4,-0.9 -5,-0.1 -2,-0.2 0.594 116.8 63.9-111.6 -18.0 6.6 39.0 -4.5 139 149 A G H X S+ 0 0 4 -4,-2.2 4,-1.8 -5,-0.4 3,-0.3 0.989 99.4 42.5 -82.5 -61.8 3.1 39.0 -3.0 140 150 A P H > S+ 0 0 11 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.908 114.2 54.7 -52.5 -40.1 3.1 41.0 0.3 141 151 A F H > S+ 0 0 0 -5,-0.4 4,-2.8 1,-0.2 5,-0.2 0.923 106.0 52.3 -56.7 -45.4 5.3 43.7 -1.2 142 152 A A H X S+ 0 0 0 -4,-0.9 4,-2.5 -3,-0.3 -1,-0.2 0.895 110.7 45.8 -62.6 -39.5 2.8 44.1 -4.0 143 153 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 5,-0.2 0.898 111.0 52.7 -74.5 -37.6 -0.1 44.6 -1.7 144 154 A K H X S+ 0 0 78 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.947 113.4 45.1 -57.3 -45.8 1.8 47.0 0.6 145 155 A Y H X S+ 0 0 2 -4,-2.8 4,-3.1 -5,-0.2 5,-0.3 0.938 108.6 56.6 -59.3 -47.2 2.6 49.0 -2.6 146 156 A A H X>S+ 0 0 1 -4,-2.5 5,-1.2 1,-0.2 4,-1.1 0.873 111.8 43.0 -54.2 -40.8 -1.0 48.8 -3.8 147 157 A N H <5S+ 0 0 67 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.835 115.1 48.9 -77.0 -35.0 -2.2 50.4 -0.5 148 158 A L H <5S+ 0 0 56 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.886 127.5 24.0 -71.9 -37.1 0.6 53.0 -0.5 149 159 A K H <5S- 0 0 85 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.391 101.3-121.6-113.3 2.7 0.0 54.1 -4.0 150 160 A Q T <5 + 0 0 145 -4,-1.1 2,-0.7 -5,-0.3 -3,-0.2 0.945 55.6 152.2 55.2 51.9 -3.6 53.1 -4.6 151 161 A E > < - 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