==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-MAR-06 2GH4 . 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) . 14750.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 75.5 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 . 21 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 14.6 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 0 1 0 0 2 2 0 4 1 0 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 0 116 0, 0.0 301,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 9.7 11.2 32.7 28.3 2 12 A S >> - 0 0 18 1,-0.1 3,-1.5 357,-0.0 4,-1.3 -0.658 360.0-119.0 -78.3 137.1 8.9 35.5 27.0 3 13 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-0.4 0.868 111.5 51.7 -41.5 -52.5 8.9 35.4 23.2 4 14 A L H 3> S+ 0 0 21 1,-0.2 4,-2.4 347,-0.2 5,-0.2 0.779 101.1 62.7 -61.3 -27.2 10.3 39.0 22.8 5 15 A T H <> S+ 0 0 78 -3,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.942 108.7 40.8 -63.6 -45.8 13.2 38.2 25.2 6 16 A Y H X S+ 0 0 35 -4,-1.3 4,-2.9 -3,-0.4 5,-0.3 0.876 112.1 57.5 -67.6 -38.1 14.5 35.5 22.8 7 17 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.905 110.9 41.9 -59.7 -43.8 13.7 37.8 19.8 8 18 A E H X S+ 0 0 60 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.893 111.7 56.0 -71.9 -38.0 15.9 40.5 21.2 9 19 A A H X S+ 0 0 33 -4,-2.1 4,-1.8 -5,-0.2 305,-0.5 0.958 113.5 39.8 -58.1 -51.0 18.6 38.1 22.3 10 20 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.905 114.6 53.5 -65.4 -42.3 18.9 36.7 18.7 11 21 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.929 110.7 45.6 -58.7 -48.2 18.6 40.1 17.1 12 22 A N H X S+ 0 0 31 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.857 110.4 54.9 -64.9 -35.1 21.4 41.6 19.2 13 23 A T H X S+ 0 0 13 -4,-1.8 4,-1.2 -5,-0.3 -1,-0.2 0.914 111.0 44.5 -64.5 -42.2 23.6 38.5 18.5 14 24 A I H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 3,-0.3 0.938 113.3 50.0 -67.4 -47.0 23.2 38.9 14.7 15 25 A M H < S+ 0 0 19 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.821 111.7 48.5 -62.3 -31.7 23.8 42.7 14.9 16 26 A N H < S+ 0 0 133 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.767 111.1 52.8 -78.3 -23.9 26.9 42.2 17.0 17 27 A T H < S+ 0 0 71 -4,-1.2 2,-0.4 -3,-0.3 -2,-0.2 0.846 118.5 27.4 -77.2 -36.6 28.0 39.5 14.5 18 28 A Y < - 0 0 74 -4,-2.2 -1,-0.2 -5,-0.1 2,-0.1 -0.989 65.1-143.5-133.5 136.7 27.7 41.7 11.4 19 29 A T >> - 0 0 64 -2,-0.4 4,-2.0 -3,-0.1 3,-1.1 -0.393 48.7 -99.0 -79.1 171.9 27.9 45.4 10.7 20 30 A V T 34 S+ 0 0 13 1,-0.3 7,-0.4 2,-0.2 -1,-0.1 0.776 128.8 59.1 -67.2 -19.1 25.3 46.3 8.0 21 31 A E T 34 S+ 0 0 95 1,-0.2 6,-0.3 5,-0.1 -1,-0.3 0.715 112.1 39.3 -78.1 -19.9 28.2 46.2 5.6 22 32 A E T <4 S+ 0 0 98 -3,-1.1 4,-0.3 4,-0.2 -2,-0.2 0.687 77.9 123.5 -99.7 -24.7 28.8 42.6 6.5 23 33 A L S < S- 0 0 0 -4,-2.0 5,-0.4 2,-0.1 4,-0.2 -0.197 79.2 -74.5 -43.6 109.2 25.2 41.4 6.8 24 34 A P S S+ 0 0 40 0, 0.0 -1,-0.1 0, 0.0 317,-0.1 -0.346 127.2 37.5 -68.8 136.9 25.3 38.4 4.3 25 35 A P S > S- 0 0 25 0, 0.0 3,-1.3 0, 0.0 -2,-0.1 0.254 107.2-129.2 -71.9 122.4 25.4 38.4 1.4 26 36 A A T 3 S- 0 0 60 -4,-0.3 -4,-0.2 1,-0.2 -5,-0.1 -0.047 78.7 -2.7 -46.3 135.2 27.6 41.5 2.1 27 37 A N T 3 S+ 0 0 93 -7,-0.4 2,-0.4 -6,-0.3 -1,-0.2 0.780 105.5 118.0 49.9 36.0 26.7 44.7 0.2 28 38 A R < - 0 0 91 -3,-1.3 2,-0.8 -5,-0.4 -1,-0.2 -0.985 67.5-129.0-130.4 141.0 23.9 43.0 -1.7 29 39 A W + 0 0 5 42,-0.4 44,-0.4 -2,-0.4 2,-0.3 -0.815 55.7 144.8 -86.5 111.5 20.2 43.8 -1.7 30 40 A H > - 0 0 14 -2,-0.8 4,-2.0 42,-0.1 3,-0.4 -0.977 63.8-110.4-150.5 160.4 18.8 40.4 -1.1 31 41 A Y H > S+ 0 0 17 -2,-0.3 4,-3.0 47,-0.3 5,-0.3 0.677 107.5 72.4 -69.7 -16.7 15.9 38.6 0.7 32 42 A H H > S+ 0 0 40 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.976 111.2 30.0 -59.1 -55.0 18.3 37.0 3.3 33 43 A Q H > S+ 0 0 0 -3,-0.4 4,-3.4 2,-0.2 5,-0.3 0.847 116.2 64.3 -71.7 -34.2 18.7 40.4 4.9 34 44 A G H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.939 106.5 40.0 -54.6 -51.6 15.2 41.4 3.9 35 45 A V H X S+ 0 0 0 -4,-3.0 4,-1.8 2,-0.2 -1,-0.2 0.888 116.5 50.1 -68.4 -38.8 13.5 38.8 6.0 36 46 A F H X S+ 0 0 0 -4,-1.5 4,-2.4 -5,-0.3 -2,-0.2 0.947 113.5 45.9 -63.5 -46.4 15.9 39.3 8.9 37 47 A L H X S+ 0 0 0 -4,-3.4 4,-2.4 2,-0.2 -1,-0.2 0.764 106.4 57.9 -69.8 -24.4 15.3 43.0 8.8 38 48 A C H X S+ 0 0 14 -4,-1.6 4,-1.6 -5,-0.3 -1,-0.2 0.919 110.1 46.7 -67.8 -39.9 11.5 42.6 8.5 39 49 A G H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.927 111.7 49.9 -64.1 -45.5 11.9 40.7 11.8 40 50 A V H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.874 111.6 47.5 -61.5 -40.0 14.1 43.5 13.3 41 51 A L H X S+ 0 0 5 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.790 110.7 52.3 -72.4 -27.9 11.6 46.2 12.3 42 52 A R H X S+ 0 0 61 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.850 109.2 49.8 -73.4 -37.2 8.7 44.2 13.7 43 53 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 5,-0.4 0.860 106.9 57.0 -68.4 -35.3 10.7 43.9 16.9 44 54 A W H X S+ 0 0 30 -4,-1.6 4,-3.4 1,-0.2 -2,-0.2 0.927 106.8 46.9 -60.5 -48.2 11.2 47.6 16.8 45 55 A E H < S+ 0 0 122 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.823 114.3 49.7 -64.2 -30.7 7.5 48.3 16.7 46 56 A A H < S+ 0 0 50 -4,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.752 127.6 19.9 -81.1 -26.4 7.0 45.8 19.6 47 57 A T H < S- 0 0 50 -4,-1.9 -2,-0.2 -3,-0.2 -3,-0.2 0.671 88.2-134.1-114.7 -27.1 9.7 47.2 21.9 48 58 A G < + 0 0 51 -4,-3.4 2,-0.8 -5,-0.4 -4,-0.1 0.489 48.7 154.1 83.5 2.8 10.3 50.8 20.7 49 59 A E >> - 0 0 75 -6,-0.3 3,-1.9 1,-0.2 4,-0.8 -0.544 37.0-151.3 -70.5 106.8 14.0 50.3 20.9 50 60 A K H 3> S+ 0 0 92 -2,-0.8 4,-2.8 1,-0.3 5,-0.2 0.698 86.1 69.4 -52.0 -26.0 15.4 52.7 18.3 51 61 A R H 3> S+ 0 0 96 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.774 94.4 54.9 -70.9 -21.3 18.5 50.7 17.5 52 62 A Y H <> S+ 0 0 0 -3,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.916 112.5 44.2 -72.5 -41.1 16.5 48.0 15.8 53 63 A F H X S+ 0 0 6 -4,-0.8 4,-2.5 1,-0.2 -2,-0.2 0.939 114.3 49.7 -65.1 -48.0 15.1 50.7 13.5 54 64 A E H X S+ 0 0 101 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.850 108.1 52.5 -61.4 -37.5 18.5 52.3 13.0 55 65 A Y H X S+ 0 0 26 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.928 112.0 45.6 -65.6 -44.3 20.2 49.1 12.1 56 66 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.915 113.3 49.7 -64.1 -42.4 17.6 48.3 9.5 57 67 A K H X S+ 0 0 54 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.855 105.8 58.4 -64.5 -34.5 17.8 51.8 8.2 58 68 A A H X S+ 0 0 38 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.898 107.1 46.3 -62.3 -42.2 21.6 51.5 8.0 59 69 A Y H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 3,-0.2 0.916 112.9 49.7 -66.7 -42.9 21.3 48.6 5.7 60 70 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 3,-0.4 0.932 111.8 48.6 -61.9 -44.3 18.8 50.3 3.5 61 71 A D H < S+ 0 0 57 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.726 103.9 60.4 -70.0 -21.6 21.0 53.4 3.3 62 72 A L H < S+ 0 0 54 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.872 118.1 30.1 -70.9 -35.1 24.0 51.4 2.4 63 73 A L H < S+ 0 0 23 -4,-1.4 2,-0.6 -3,-0.4 8,-0.5 0.653 113.0 64.8 -98.7 -18.9 22.3 50.1 -0.7 64 74 A I S < S- 0 0 2 -4,-2.1 6,-0.2 -5,-0.2 -1,-0.1 -0.934 72.8-152.1-111.7 119.5 20.0 53.1 -1.6 65 75 A D > - 0 0 67 4,-1.8 3,-2.2 -2,-0.6 -2,-0.1 -0.086 38.9 -80.1 -81.5-176.8 21.7 56.3 -2.6 66 76 A D T 3 S+ 0 0 138 1,-0.3 -1,-0.1 2,-0.1 31,-0.0 0.689 130.5 47.1 -56.5 -21.2 20.6 59.9 -2.3 67 77 A N T 3 S- 0 0 99 2,-0.1 -1,-0.3 30,-0.0 -2,-0.0 0.298 120.7-102.2-106.2 10.8 18.4 59.6 -5.4 68 78 A G < + 0 0 0 -3,-2.2 2,-0.2 1,-0.3 36,-0.2 0.608 68.4 155.9 81.8 12.0 16.8 56.3 -4.5 69 79 A N + 0 0 64 35,-0.0 -4,-1.8 2,-0.0 2,-0.3 -0.496 15.7 178.3 -75.0 140.9 19.0 54.3 -6.8 70 80 A L - 0 0 10 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.1 -0.999 24.8-140.0-147.0 140.8 19.5 50.6 -6.0 71 81 A L + 0 0 146 -8,-0.5 -42,-0.4 -2,-0.3 2,-0.3 -0.861 39.3 148.4-100.3 133.9 21.3 47.7 -7.5 72 82 A F - 0 0 23 -2,-0.5 2,-1.2 -44,-0.1 -42,-0.1 -0.986 58.0 -80.2-159.6 163.4 19.5 44.4 -7.4 73 83 A R > - 0 0 93 -44,-0.4 3,-1.6 -2,-0.3 6,-0.3 -0.582 43.8-161.5 -72.0 99.4 19.0 41.1 -9.3 74 84 A R T 3 S+ 0 0 157 -2,-1.2 -1,-0.2 1,-0.3 37,-0.1 0.488 80.4 50.4 -64.7 -8.4 16.5 42.3 -11.9 75 85 A D T 3 S+ 0 0 42 37,-0.1 2,-0.4 48,-0.0 49,-0.4 0.368 93.6 91.4-111.9 6.3 15.2 38.9 -13.0 76 86 A E X - 0 0 6 -3,-1.6 3,-1.0 47,-0.2 4,-0.4 -0.850 58.7-156.1-112.3 137.8 14.3 37.6 -9.5 77 87 A L G >> S+ 0 0 11 45,-1.7 3,-2.0 -2,-0.4 4,-0.8 0.876 100.2 71.3 -65.7 -33.3 11.2 37.7 -7.4 78 88 A D G 34 S+ 0 0 13 44,-0.4 4,-0.5 1,-0.3 -47,-0.3 0.740 88.2 60.7 -51.1 -30.2 13.7 37.2 -4.6 79 89 A A G <4 S+ 0 0 1 -3,-1.0 -1,-0.3 -6,-0.3 4,-0.2 0.724 98.0 58.0 -72.8 -23.5 15.0 40.8 -5.2 80 90 A I T X4 S+ 0 0 0 -3,-2.0 3,-1.9 -4,-0.4 4,-0.3 0.805 86.3 76.2 -78.7 -31.1 11.6 42.3 -4.3 81 91 A Q G >< S+ 0 0 0 -4,-0.8 3,-2.3 1,-0.3 4,-0.2 0.859 87.0 58.2 -50.4 -46.5 11.2 40.9 -0.8 82 92 A A G > S+ 0 0 0 -4,-0.5 3,-1.9 1,-0.3 4,-0.4 0.723 87.7 79.8 -60.3 -18.6 13.6 43.2 0.9 83 93 A G G X> S+ 0 0 0 -3,-1.9 3,-1.5 1,-0.3 4,-0.5 0.730 73.7 78.0 -60.1 -21.1 11.4 46.0 -0.4 84 94 A L G X4 S+ 0 0 23 -3,-2.3 3,-0.7 -4,-0.3 -1,-0.3 0.795 85.2 60.0 -58.9 -28.6 9.1 45.2 2.5 85 95 A I G <> S+ 0 0 0 -3,-1.9 4,-1.4 1,-0.2 -1,-0.3 0.724 91.2 70.8 -73.5 -18.7 11.5 47.1 4.8 86 96 A L H <> S+ 0 0 2 -3,-1.5 4,-2.0 -4,-0.4 -1,-0.2 0.779 89.1 61.1 -68.0 -28.4 10.9 50.3 2.8 87 97 A F H S+ 0 0 31 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.864 116.7 53.6 -67.7 -30.1 8.0 51.2 7.7 89 99 A L H X S+ 0 0 0 -4,-1.4 4,-1.6 2,-0.2 6,-0.4 0.881 112.9 42.6 -68.6 -38.6 11.2 53.2 7.0 90 100 A Y H X S+ 0 0 45 -4,-2.0 4,-3.4 2,-0.2 -1,-0.2 0.914 110.9 55.3 -72.6 -44.2 9.2 55.6 4.8 91 101 A E H < S+ 0 0 126 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.806 115.3 40.1 -58.1 -31.1 6.3 55.8 7.2 92 102 A Q H < S+ 0 0 96 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.775 131.0 23.3 -90.8 -29.5 8.7 56.8 10.0 93 103 A T H < S- 0 0 49 -4,-1.6 -3,-0.2 -5,-0.1 -2,-0.2 0.700 80.6-142.8-109.5 -26.1 11.0 59.2 8.0 94 104 A K < + 0 0 112 -4,-3.4 2,-0.7 -5,-0.3 -4,-0.1 0.689 44.6 157.7 66.4 18.1 8.9 60.4 5.1 95 105 A D >> - 0 0 52 -6,-0.4 3,-1.7 1,-0.2 4,-0.6 -0.667 38.5-150.5 -78.1 112.3 12.2 60.2 3.1 96 106 A E H 3> S+ 0 0 90 -2,-0.7 4,-2.5 1,-0.3 5,-0.2 0.622 86.4 81.6 -59.6 -13.6 11.2 59.8 -0.6 97 107 A R H 3> S+ 0 0 30 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.898 93.0 48.9 -58.5 -38.5 14.4 57.9 -1.2 98 108 A Y H <> S+ 0 0 0 -3,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.852 110.4 48.4 -71.1 -35.3 12.6 54.8 0.1 99 109 A V H X S+ 0 0 10 -4,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.865 111.3 51.7 -72.6 -34.1 9.5 55.3 -2.0 100 110 A K H X S+ 0 0 94 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.889 110.8 47.5 -67.7 -39.2 11.7 55.8 -5.1 101 111 A A H X S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.2 3,-0.4 0.922 110.5 52.4 -67.0 -43.0 13.5 52.5 -4.3 102 112 A A H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.863 105.8 54.9 -61.1 -36.5 10.2 50.7 -3.8 103 113 A K H X S+ 0 0 119 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.829 103.3 55.0 -67.4 -32.0 9.0 52.0 -7.2 104 114 A R H < S+ 0 0 91 -4,-1.2 4,-0.3 -3,-0.4 -1,-0.2 0.908 112.5 43.5 -66.9 -39.3 12.0 50.5 -8.9 105 115 A L H >< S+ 0 0 0 -4,-1.6 3,-1.2 1,-0.2 4,-0.4 0.895 112.7 51.4 -71.3 -41.5 11.2 47.1 -7.4 106 116 A R H >< S+ 0 0 27 -4,-2.6 3,-0.9 1,-0.3 4,-0.4 0.830 101.9 62.1 -65.1 -32.1 7.4 47.4 -8.1 107 117 A S G >< S+ 0 0 59 -4,-1.8 3,-0.6 1,-0.2 4,-0.3 0.668 87.7 75.9 -69.4 -13.5 8.2 48.3 -11.7 108 118 A L G X> S+ 0 0 7 -3,-1.2 3,-2.3 -4,-0.3 4,-1.1 0.846 76.5 72.9 -65.1 -37.4 9.8 44.8 -12.1 109 119 A Y G X4 S+ 0 0 2 -3,-0.9 3,-0.6 -4,-0.4 -1,-0.2 0.856 95.2 52.2 -47.3 -41.2 6.5 43.0 -12.3 110 120 A G G <4 S+ 0 0 71 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.641 109.0 50.7 -73.2 -13.0 5.9 44.2 -15.8 111 121 A T G <4 S+ 0 0 92 -3,-2.3 -1,-0.2 -4,-0.3 -2,-0.2 0.594 88.5 102.0 -97.9 -14.7 9.4 43.0 -17.0 112 122 A L S << S- 0 0 15 -4,-1.1 2,-0.1 -3,-0.6 -37,-0.1 -0.421 71.3-120.0 -76.9 145.6 9.2 39.5 -15.7 113 123 A N - 0 0 76 -2,-0.1 8,-2.3 -38,-0.1 2,-0.3 -0.411 33.3-158.1 -78.6 157.9 8.4 36.5 -17.9 114 124 A R B -A 120 0A 92 6,-0.2 6,-0.2 -2,-0.1 2,-0.1 -0.893 19.1-105.9-137.4 166.3 5.4 34.3 -17.1 115 125 A T > - 0 0 6 4,-2.5 3,-2.2 -2,-0.3 6,-0.1 -0.338 55.9 -88.6 -80.2 171.2 3.8 30.9 -17.6 116 126 A S T 3 S+ 0 0 96 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.753 130.9 48.1 -55.3 -27.2 0.9 30.6 -20.1 117 127 A E T 3 S- 0 0 65 2,-0.1 -1,-0.3 43,-0.0 47,-0.1 0.481 127.0 -96.8 -93.5 -3.2 -1.6 31.5 -17.4 118 128 A G S < S+ 0 0 13 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.528 71.0 148.4 103.4 6.5 0.4 34.5 -16.2 119 129 A G - 0 0 0 1,-0.1 -4,-2.5 41,-0.1 -1,-0.3 -0.593 52.2-110.7 -76.7 133.3 2.3 33.1 -13.2 120 130 A F B -A 114 0A 6 -2,-0.3 -6,-0.2 -6,-0.2 2,-0.1 -0.345 26.0-117.3 -64.4 139.5 5.7 34.7 -12.8 121 131 A W - 0 0 40 -8,-2.3 9,-0.2 1,-0.2 -44,-0.2 -0.511 24.2-125.4 -68.4 146.5 8.8 32.6 -13.5 122 132 A H S S- 0 0 5 7,-2.4 -45,-1.7 4,-0.6 -44,-0.4 0.919 86.0 -19.8 -61.9 -39.1 10.7 32.3 -10.3 123 133 A K > - 0 0 36 3,-0.4 3,-1.7 6,-0.2 6,-0.3 -0.950 69.2-102.5-157.5 164.2 13.7 33.7 -12.1 124 134 A D T 3 S+ 0 0 77 -49,-0.4 -48,-0.1 -2,-0.3 -2,-0.1 0.873 123.4 58.1 -61.0 -35.0 14.9 34.0 -15.7 125 135 A G T 3 S+ 0 0 60 1,-0.3 -1,-0.3 -50,-0.1 -3,-0.0 0.500 103.5 54.4 -73.5 -4.0 17.1 31.0 -15.1 126 136 A Y S X S- 0 0 64 -3,-1.7 3,-1.8 3,-0.1 -4,-0.6 -0.525 84.4-162.8-127.5 63.3 14.1 29.0 -14.1 127 137 A P T 3 S- 0 0 51 0, 0.0 57,-0.2 0, 0.0 3,-0.1 -0.191 70.5 -2.6 -54.0 129.8 11.8 29.3 -17.2 128 138 A Y T 3 S+ 0 0 94 1,-0.2 55,-2.5 -9,-0.1 2,-0.5 0.624 100.7 128.8 64.4 17.9 8.2 28.4 -16.6 129 139 A Q E < -B 182 0B 1 -3,-1.8 -7,-2.4 -6,-0.3 2,-0.5 -0.905 40.8-165.6-110.4 126.2 8.8 27.4 -13.0 130 140 A M E -B 181 0B 10 51,-2.8 51,-2.4 -2,-0.5 2,-0.4 -0.940 8.3-166.0-108.2 124.7 6.7 28.7 -10.1 131 141 A W E > -B 180 0B 14 -2,-0.5 3,-1.7 49,-0.2 4,-0.4 -0.916 26.5-128.8-110.2 138.8 8.2 28.1 -6.6 132 142 A L T >> S+ 0 0 0 47,-2.7 3,-2.4 -2,-0.4 4,-0.6 0.869 106.8 67.2 -51.5 -41.7 6.1 28.5 -3.5 133 143 A N H >> S+ 0 0 9 46,-0.3 4,-1.9 1,-0.3 3,-0.9 0.820 87.7 70.2 -48.1 -35.7 8.8 30.7 -2.0 134 144 A G H <> S+ 0 0 7 -3,-1.7 4,-2.6 1,-0.2 5,-0.4 0.737 84.4 66.6 -57.7 -26.6 7.9 33.2 -4.7 135 145 A L H <> S+ 0 0 4 -3,-2.4 4,-2.1 -4,-0.4 -1,-0.2 0.923 108.3 38.6 -63.7 -41.1 4.6 34.1 -3.1 136 146 A Y H << S+ 0 0 4 -3,-0.9 5,-0.4 -4,-0.6 -2,-0.2 0.891 114.1 55.1 -75.3 -39.4 6.3 35.6 -0.1 137 147 A M H < S+ 0 0 1 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.915 129.6 12.4 -60.6 -44.4 9.1 37.2 -2.2 138 148 A G H X S+ 0 0 8 -4,-2.6 4,-1.0 -5,-0.1 -2,-0.2 0.594 116.4 68.5-112.0 -11.7 6.7 39.1 -4.4 139 149 A G H >X S+ 0 0 5 -4,-2.1 4,-1.6 -5,-0.4 3,-0.5 0.997 99.5 39.8 -72.6 -69.8 3.2 38.9 -2.8 140 150 A P H 3> S+ 0 0 10 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.867 114.0 55.7 -48.9 -43.7 3.2 41.0 0.4 141 151 A F H 3> S+ 0 0 0 -5,-0.4 4,-2.4 1,-0.2 5,-0.2 0.923 105.7 52.5 -56.5 -45.5 5.3 43.7 -1.2 142 152 A A H S+ 0 0 1 -4,-2.1 5,-1.3 1,-0.2 4,-0.7 0.897 110.6 42.5 -56.6 -41.3 -1.0 48.7 -3.7 147 157 A N H <5S+ 0 0 69 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.831 114.3 50.8 -76.3 -31.4 -2.2 50.4 -0.5 148 158 A L H <5S+ 0 0 55 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.862 126.2 24.3 -73.7 -37.3 0.6 53.0 -0.6 149 159 A K H <5S- 0 0 79 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.299 102.5-121.1-111.5 8.5 -0.1 54.1 -4.2 150 160 A Q T <5 + 0 0 147 -4,-0.7 2,-0.8 -5,-0.2 -3,-0.2 0.926 56.3 155.2 51.1 49.4 -3.7 53.0 -4.5 151 161 A E > < - 0 0 57 -5,-1.3 3,-1.7 -6,-0.3 4,-0.3 -0.793 20.8-179.1-110.2 88.1 -2.8 50.7 -7.4 152 162 A T T >> S+ 0 0 100 -2,-0.8 3,-1.3 1,-0.3 4,-1.3 0.680 71.6 80.2 -59.5 -21.7 -5.6 48.1 -7.4 153 163 A E H 3> S+ 0 0 121 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.868 87.6 59.3 -54.0 -35.7 -4.0 46.3 -10.3 154 164 A L H <> S+ 0 0 0 -3,-1.7 4,-2.1 1,-0.2 -1,-0.3 0.765 96.7 58.9 -66.6 -26.8 -1.6 44.8 -7.8 155 165 A F H <> S+ 0 0 13 -3,-1.3 4,-2.3 -4,-0.3 -1,-0.2 0.947 108.1 45.3 -66.8 -47.2 -4.5 43.1 -5.8 156 166 A D H X S+ 0 0 111 -4,-1.3 4,-2.6 1,-0.2 -2,-0.2 0.879 109.9 57.9 -61.2 -39.5 -5.5 41.2 -8.9 157 167 A Q H X S+ 0 0 18 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.952 109.6 41.1 -56.0 -54.4 -1.9 40.3 -9.5 158 168 A V H X S+ 0 0 3 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.887 112.6 55.5 -63.4 -40.4 -1.4 38.6 -6.2 159 169 A V H X S+ 0 0 30 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.927 111.4 45.1 -58.7 -44.2 -4.8 36.9 -6.4 160 170 A L H X S+ 0 0 62 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.944 112.5 49.2 -64.9 -49.8 -3.7 35.4 -9.7 161 171 A Q H X S+ 0 0 16 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.936 113.7 47.0 -56.1 -48.3 -0.3 34.3 -8.6 162 172 A E H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.905 112.1 49.1 -62.6 -42.8 -1.6 32.7 -5.5 163 173 A S H X S+ 0 0 43 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.904 110.4 50.7 -66.1 -39.2 -4.4 30.9 -7.3 164 174 A L H X S+ 0 0 10 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.893 112.0 47.9 -64.6 -39.5 -2.1 29.5 -10.0 165 175 A M H X S+ 0 0 8 -4,-2.0 4,-2.5 -5,-0.2 5,-0.4 0.944 114.3 44.6 -65.9 -49.4 0.3 28.2 -7.3 166 176 A R H X S+ 0 0 58 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.897 111.4 55.2 -61.5 -41.4 -2.4 26.5 -5.3 167 177 A K H < S+ 0 0 135 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.893 119.0 31.3 -59.9 -42.1 -4.0 25.1 -8.4 168 178 A H H < S+ 0 0 39 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.700 127.9 33.6 -93.6 -20.3 -0.8 23.4 -9.5 169 179 A T H < S+ 0 0 2 -4,-2.5 9,-2.8 -5,-0.2 2,-0.3 0.615 83.4 108.0-112.3 -15.0 1.0 22.5 -6.3 170 180 A K B < -D 177 0C 88 -4,-1.7 2,-0.6 -5,-0.4 7,-0.2 -0.486 59.9-142.3 -69.3 127.2 -1.7 21.6 -3.7 171 181 A D > - 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0 0 56 0, 0.0 3,-2.0 0, 0.0 6,-0.2 -0.396 54.9 -82.8 -69.7 154.3 -9.7 45.9 0.5 221 231 A K T 3 S+ 0 0 179 1,-0.3 -4,-0.0 -3,-0.1 -3,-0.0 -0.239 116.6 17.5 -56.5 144.4 -12.7 45.2 2.8 222 232 A K T 3 S+ 0 0 197 1,-0.2 -1,-0.3 -3,-0.1 5,-0.1 0.426 86.6 157.9 73.5 -1.6 -15.2 42.7 1.3 223 233 A H X> - 0 0 32 -3,-2.0 3,-2.2 1,-0.1 4,-0.6 -0.288 50.8-123.6 -57.2 135.3 -12.6 41.6 -1.2 224 234 A P H >> S+ 0 0 95 0, 0.0 4,-1.3 0, 0.0 3,-0.6 0.797 108.2 56.5 -49.8 -33.3 -13.4 38.0 -2.5 225 235 A N H 3> S+ 0 0 16 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.555 82.9 79.8 -82.9 -5.7 -10.0 36.7 -1.3 226 236 A R H <> S+ 0 0 57 -3,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.903 108.4 32.3 -64.5 -35.2 -10.4 37.7 2.3 227 237 A H H < S+ 0 0 17 -4,-2.5 3,-0.6 1,-0.2 4,-0.4 0.927 114.3 49.0 -58.1 -48.0 -2.7 19.8 7.1 240 250 A I H >< S+ 0 0 0 -4,-3.1 3,-1.7 1,-0.2 -1,-0.2 0.887 106.8 53.5 -60.1 -46.1 0.6 21.1 8.5 241 251 A C H >< S+ 0 0 25 -4,-2.9 3,-1.2 1,-0.3 -1,-0.2 0.725 94.3 71.2 -65.0 -21.5 -0.3 20.5 12.2 242 252 A R T << S+ 0 0 185 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.722 103.2 44.3 -66.2 -19.5 -1.1 16.9 11.4 243 253 A Y T < S+ 0 0 38 -3,-1.7 9,-0.3 -4,-0.4 -1,-0.2 0.326 80.4 131.2-108.0 6.4 2.7 16.4 10.9 244 254 A Q S < S- 0 0 26 -3,-1.2 2,-0.6 -4,-0.1 7,-0.2 -0.310 71.1-100.6 -59.6 141.9 4.0 18.3 13.9 245 255 A D > - 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