==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-AUG-09 2WPG . COMPND 2 MOLECULE: AMYLOSUCRASE OR ALPHA AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR E.CHAMPION,M.REMAUD-SIMEON,L.K.SKOV,J.S.KASTRUP,M.GAJHEDE, . 625 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23443.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 448 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 43 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.1 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 3 2 3 2 1 3 0 0 0 2 0 0 1 3 0 1 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 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 0 PARALLEL BRIDGES PER LADDER . 4 4 2 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 1 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 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 5 A S > 0 0 95 0, 0.0 3,-1.6 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 124.4 84.7 -16.4 23.1 2 6 A P T 3 + 0 0 81 0, 0.0 49,-0.0 0, 0.0 0, 0.0 0.687 360.0 55.5 -61.9 -19.3 83.8 -12.8 24.0 3 7 A I T 3 S+ 0 0 41 4,-0.1 2,-0.1 5,-0.0 5,-0.0 0.017 71.6 138.5-109.2 27.2 80.1 -13.9 23.8 4 8 A D <> - 0 0 81 -3,-1.6 4,-2.3 1,-0.1 5,-0.2 -0.437 68.4-112.5 -58.9 145.2 80.1 -16.8 26.3 5 9 A A H > S+ 0 0 80 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.881 120.2 48.4 -47.2 -43.4 77.0 -16.6 28.5 6 10 A A H > S+ 0 0 81 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 110.4 49.3 -67.9 -40.6 79.3 -15.8 31.5 7 11 A A H > S+ 0 0 32 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.771 108.7 55.1 -70.7 -25.8 81.2 -13.1 29.6 8 12 A L H X S+ 0 0 7 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.911 107.6 47.0 -72.9 -43.3 77.8 -11.6 28.5 9 13 A R H X S+ 0 0 90 -4,-2.0 4,-3.0 1,-0.2 3,-0.2 0.913 110.9 55.1 -60.9 -39.8 76.6 -11.3 32.1 10 14 A A H X S+ 0 0 51 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.839 99.2 59.9 -61.2 -34.5 80.0 -9.8 32.9 11 15 A S H < S+ 0 0 16 -4,-1.4 4,-0.3 2,-0.2 -1,-0.2 0.904 113.0 38.4 -61.0 -41.4 79.5 -7.1 30.1 12 16 A V H >X S+ 0 0 0 -4,-1.3 3,-1.7 -3,-0.2 4,-0.6 0.924 115.3 51.7 -73.3 -47.2 76.4 -5.9 32.0 13 17 A A H >< S+ 0 0 35 -4,-3.0 3,-1.1 1,-0.3 -2,-0.2 0.846 98.4 68.4 -59.9 -32.4 77.9 -6.4 35.5 14 18 A A T 3< S+ 0 0 85 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.688 104.0 43.2 -60.8 -19.1 81.0 -4.4 34.4 15 19 A A T <4 S+ 0 0 27 -3,-1.7 2,-0.3 -4,-0.3 -1,-0.3 0.558 99.4 89.6-101.4 -11.9 78.8 -1.2 34.2 16 20 A L S << S- 0 0 13 -3,-1.1 5,-0.1 -4,-0.6 46,-0.1 -0.643 78.1-118.3 -97.7 145.0 76.8 -1.7 37.4 17 21 A D > - 0 0 70 -2,-0.3 3,-2.4 3,-0.1 2,-1.5 -0.689 29.3-129.0 -75.8 113.9 77.6 -0.5 40.9 18 22 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.536 101.0 50.9 -65.2 91.3 78.0 -3.7 43.1 19 23 A S T 3 S+ 0 0 83 -2,-1.5 -2,-0.0 0, 0.0 -3,-0.0 0.077 117.5 34.2 163.0 -15.9 75.6 -2.5 45.8 20 24 A T S < S+ 0 0 61 -3,-2.4 4,-0.3 2,-0.0 -3,-0.1 0.118 101.0 79.9-139.3 14.9 72.6 -1.5 43.7 21 25 A A > + 0 0 5 -4,-0.5 4,-2.7 2,-0.1 5,-0.3 0.429 61.9 92.5-107.7 -6.1 73.0 -4.2 41.0 22 26 A V H > S+ 0 0 118 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.941 89.9 44.4 -56.1 -50.1 71.4 -7.2 42.8 23 27 A A H > S+ 0 0 43 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.907 115.5 47.2 -64.3 -42.5 68.0 -6.6 41.4 24 28 A T H > S+ 0 0 11 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.919 112.4 48.0 -66.9 -44.2 69.1 -5.9 37.8 25 29 A L H X S+ 0 0 25 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.862 109.3 54.7 -67.4 -33.1 71.5 -8.9 37.6 26 30 A A H X S+ 0 0 47 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.913 110.5 45.1 -62.4 -44.2 68.7 -11.2 39.0 27 31 A R H X S+ 0 0 43 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.855 110.8 55.3 -69.9 -33.8 66.3 -10.1 36.3 28 32 A F H X S+ 0 0 9 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.950 106.6 49.5 -60.3 -49.4 69.2 -10.5 33.8 29 33 A D H < S+ 0 0 79 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.907 115.3 46.0 -56.8 -40.6 69.6 -14.1 34.9 30 34 A T H < S+ 0 0 95 -4,-1.9 4,-0.3 -5,-0.2 -2,-0.2 0.954 127.1 22.7 -64.4 -50.2 65.9 -14.6 34.5 31 35 A H H X S+ 0 0 36 -4,-2.8 4,-2.1 1,-0.2 3,-0.4 0.625 98.6 83.8-102.3 -17.6 65.4 -13.0 31.1 32 36 A A H X S+ 0 0 3 -4,-3.0 4,-3.7 -5,-0.3 5,-0.3 0.838 85.2 59.7 -61.8 -38.1 68.7 -13.0 29.3 33 37 A P H > S+ 0 0 85 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.932 110.4 43.4 -55.4 -43.8 68.4 -16.5 27.9 34 38 A R H > S+ 0 0 35 -3,-0.4 4,-2.1 -4,-0.3 -2,-0.2 0.928 116.4 47.5 -65.8 -46.9 65.2 -15.5 26.1 35 39 A L H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.944 114.3 45.9 -56.5 -51.3 66.8 -12.2 24.9 36 40 A L H X S+ 0 0 31 -4,-3.7 4,-2.3 1,-0.2 -1,-0.2 0.847 109.6 54.3 -66.8 -33.8 70.0 -13.9 23.7 37 41 A D H X S+ 0 0 92 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.935 111.3 46.2 -63.3 -44.0 68.1 -16.6 21.9 38 42 A A H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.911 112.8 48.5 -64.6 -44.1 66.2 -14.0 20.0 39 43 A L H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 5,-0.4 0.874 111.3 51.1 -65.2 -38.5 69.3 -11.9 19.2 40 44 A S H X S+ 0 0 61 -4,-2.3 4,-2.4 3,-0.2 5,-0.3 0.926 109.9 49.6 -63.2 -44.0 71.0 -15.1 18.0 41 45 A T H < S+ 0 0 94 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.921 120.5 36.2 -59.9 -44.4 68.1 -16.0 15.8 42 46 A L H < S+ 0 0 19 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.925 139.7 8.5 -73.7 -45.6 68.0 -12.5 14.3 43 47 A Y H >< S+ 0 0 1 -4,-3.2 3,-1.9 -5,-0.2 6,-0.2 0.354 84.4 116.4-126.3 -0.0 71.7 -11.6 14.1 44 48 A G T 3< S+ 0 0 24 -4,-2.4 6,-0.1 -5,-0.4 -3,-0.1 0.763 89.0 35.9 -50.3 -34.8 73.8 -14.7 15.0 45 49 A D T 3 S+ 0 0 169 -5,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.406 86.3 121.7-101.9 1.4 75.4 -14.9 11.5 46 50 A H S X S- 0 0 63 -3,-1.9 3,-1.5 1,-0.1 4,-0.4 -0.373 73.2-119.5 -62.9 145.1 75.7 -11.2 10.9 47 51 A A T 3 S+ 0 0 96 1,-0.3 4,-0.2 2,-0.1 3,-0.2 0.769 111.5 43.8 -57.4 -29.4 79.4 -10.2 10.3 48 52 A D T 3> S+ 0 0 81 1,-0.1 4,-2.1 2,-0.1 -1,-0.3 0.395 83.8 102.4 -98.5 2.9 79.4 -7.8 13.3 49 53 A Y H <> S+ 0 0 15 -3,-1.5 4,-2.4 -6,-0.2 -1,-0.1 0.913 81.8 42.7 -57.1 -55.0 77.5 -10.0 15.8 50 54 A V H 4 S+ 0 0 66 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.879 120.3 42.9 -63.8 -37.7 80.4 -11.2 17.9 51 55 A T H 4 S+ 0 0 105 -4,-0.2 4,-0.5 1,-0.1 -1,-0.2 0.736 117.9 47.9 -79.0 -22.3 82.1 -7.8 18.0 52 56 A W H X S+ 0 0 16 -4,-2.1 4,-2.0 2,-0.1 5,-0.2 0.883 99.0 63.3 -82.4 -42.2 78.7 -6.0 18.6 53 57 A L H X S+ 0 0 1 -4,-2.4 4,-2.1 -5,-0.2 5,-0.2 0.889 100.8 45.2 -64.1 -48.5 77.1 -8.0 21.4 54 58 A P H > S+ 0 0 23 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.941 115.4 45.9 -64.2 -45.6 79.4 -7.6 24.4 55 59 A Q H > S+ 0 0 111 -4,-0.5 4,-2.0 1,-0.2 -2,-0.2 0.848 111.7 53.2 -67.6 -30.8 79.9 -3.8 24.0 56 60 A W H X S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.913 107.1 51.1 -67.2 -40.6 76.2 -3.3 23.5 57 61 A L H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.861 108.9 52.0 -64.3 -34.8 75.4 -5.2 26.7 58 62 A S H X S+ 0 0 40 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.917 108.7 50.2 -64.7 -41.7 77.9 -3.0 28.5 59 63 A A H X S+ 0 0 31 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.863 109.1 52.2 -65.7 -34.8 76.1 0.1 27.1 60 64 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.924 108.5 50.5 -63.0 -45.7 72.8 -1.4 28.3 61 65 A G H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.886 107.3 54.5 -59.9 -39.5 74.3 -1.8 31.8 62 66 A V H X S+ 0 0 87 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.923 109.9 45.7 -62.5 -42.9 75.5 1.8 31.7 63 67 A V H < S+ 0 0 14 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.852 111.0 53.6 -68.9 -31.8 71.9 3.0 30.9 64 68 A A H >< S+ 0 0 4 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.924 105.7 53.2 -66.6 -41.7 70.6 0.7 33.6 65 69 A Q H 3< S+ 0 0 61 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.866 106.4 54.1 -59.6 -35.8 73.0 2.2 36.2 66 70 A A T 3< S+ 0 0 67 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.527 76.3 124.5 -77.8 -7.4 71.7 5.7 35.2 67 71 A R < - 0 0 10 -3,-1.4 5,-0.1 -4,-0.4 199,-0.1 -0.363 69.4-113.2 -58.5 121.6 68.0 4.8 35.9 68 72 A P >> - 0 0 54 0, 0.0 4,-2.6 0, 0.0 3,-0.8 -0.197 17.1-116.7 -59.0 150.0 66.7 7.3 38.4 69 73 A A H 3> S+ 0 0 83 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.855 113.6 56.9 -53.2 -42.2 65.8 6.2 42.0 70 74 A A H 3> S+ 0 0 48 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.835 112.0 42.4 -63.4 -32.6 62.1 7.2 41.5 71 75 A L H <> S+ 0 0 4 -3,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.841 108.7 57.0 -83.3 -37.3 61.9 4.9 38.5 72 76 A R H X S+ 0 0 55 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.907 104.5 56.8 -52.4 -40.7 63.9 2.1 40.1 73 77 A H H X S+ 0 0 116 -4,-2.3 4,-1.9 2,-0.2 5,-0.2 0.913 105.7 47.3 -61.5 -44.1 61.2 2.3 42.8 74 78 A L H X S+ 0 0 20 -4,-1.1 4,-3.0 1,-0.2 -1,-0.2 0.936 109.9 54.6 -60.9 -45.0 58.4 1.7 40.3 75 79 A D H < S+ 0 0 13 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.894 113.7 42.3 -50.1 -42.9 60.5 -1.2 38.8 76 80 A D H < S+ 0 0 110 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.789 123.8 33.6 -78.8 -27.7 60.6 -2.7 42.3 77 81 A S H < S+ 0 0 68 -4,-1.9 2,-0.3 -5,-0.2 -2,-0.2 0.736 87.5 98.0-108.1 -28.1 57.1 -2.1 43.4 78 82 A R < - 0 0 47 -4,-3.0 3,-0.1 -5,-0.2 -4,-0.0 -0.482 65.5-139.0 -68.2 127.0 54.8 -2.4 40.3 79 83 A A > - 0 0 61 -2,-0.3 3,-1.7 1,-0.1 -2,-0.1 -0.569 30.9 -90.3 -82.2 147.6 53.2 -5.9 40.1 80 84 A P T 3 S+ 0 0 103 0, 0.0 296,-0.1 0, 0.0 -1,-0.1 -0.291 116.4 25.6 -50.0 136.0 52.8 -7.6 36.8 81 85 A G T > S+ 0 0 16 295,-0.2 3,-1.9 294,-0.1 4,-0.3 0.558 77.8 136.8 84.1 8.6 49.5 -6.7 35.1 82 86 A W G X + 0 0 26 -3,-1.7 3,-1.2 1,-0.3 6,-0.1 0.824 65.4 61.4 -55.4 -33.9 49.3 -3.4 37.0 83 87 A F G 3 S+ 0 0 3 1,-0.2 -1,-0.3 293,-0.1 35,-0.1 0.532 99.0 56.9 -75.9 -6.6 48.2 -1.6 33.8 84 88 A G G < S+ 0 0 1 -3,-1.9 466,-2.1 394,-0.1 393,-0.4 0.368 75.8 123.8-104.7 2.9 45.0 -3.8 33.6 85 89 A Q S X S- 0 0 79 -3,-1.2 3,-2.0 -4,-0.3 392,-0.1 -0.255 74.4-111.2 -63.3 153.9 43.6 -2.9 37.0 86 90 A Q T 3 S+ 0 0 29 1,-0.3 -1,-0.1 457,-0.1 458,-0.1 0.686 114.0 62.7 -65.6 -21.6 40.1 -1.5 37.1 87 91 A D T 3 S+ 0 0 63 456,-0.2 2,-0.5 457,-0.1 -1,-0.3 0.414 79.2 112.4 -83.5 4.0 41.2 2.0 38.2 88 92 A M < + 0 0 0 -3,-2.0 2,-0.3 389,-0.2 389,-0.1 -0.666 38.8 165.0 -78.7 126.0 43.1 2.3 35.0 89 93 A L - 0 0 2 -2,-0.5 29,-2.9 27,-0.2 30,-1.5 -0.987 19.4-148.7-138.2 139.5 41.7 4.9 32.7 90 94 A G E -ab 119 480A 0 389,-3.4 391,-2.7 -2,-0.3 2,-0.3 -0.670 11.6-168.8-114.0 163.6 43.5 6.4 29.7 91 95 A Y E -ab 120 481A 0 28,-1.9 30,-3.4 389,-0.2 2,-0.4 -0.985 6.9-159.4-149.0 134.3 43.6 9.7 27.8 92 96 A S E +ab 121 482A 5 389,-2.4 391,-2.4 -2,-0.3 2,-0.3 -0.979 25.2 145.4-123.7 131.6 45.2 10.5 24.4 93 97 A A E -a 122 0A 0 28,-2.6 30,-2.4 -2,-0.4 2,-0.3 -0.996 47.1-106.4-157.4 153.5 46.1 13.9 23.3 94 98 A Y > - 0 0 20 -2,-0.3 4,-2.1 28,-0.2 5,-0.2 -0.644 31.3-131.6 -74.1 142.0 48.6 16.1 21.3 95 99 A V H >>S+ 0 0 2 28,-0.4 4,-2.4 -2,-0.3 5,-0.6 0.957 105.7 43.3 -61.2 -52.5 50.9 18.2 23.5 96 100 A D H >5S+ 0 0 76 1,-0.2 4,-1.7 3,-0.2 -1,-0.2 0.926 116.0 46.6 -61.8 -45.9 50.2 21.4 21.6 97 101 A R H 45S+ 0 0 47 1,-0.2 416,-3.6 2,-0.2 -1,-0.2 0.857 116.2 45.4 -66.7 -35.4 46.4 20.9 21.3 98 102 A F H <5S- 0 0 1 -4,-2.1 -2,-0.2 414,-0.2 -1,-0.2 0.950 143.2 -22.1 -73.2 -50.8 46.0 20.0 24.9 99 103 A A H <5S- 0 0 22 -4,-2.4 2,-1.9 -5,-0.2 -3,-0.2 0.160 81.3-111.4-155.6 22.2 48.1 22.6 26.7 100 104 A G S < S- 0 0 52 -2,-1.9 4,-2.4 -6,-0.2 49,-0.2 -0.860 84.7 -96.9-144.6 170.5 53.8 22.6 25.9 102 106 A L H > S+ 0 0 0 47,-2.7 4,-2.2 -2,-0.3 5,-0.1 0.900 126.4 51.7 -62.3 -41.6 55.0 20.0 28.3 103 107 A R H > S+ 0 0 166 46,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.901 108.5 51.7 -58.0 -41.7 55.0 22.6 31.0 104 108 A G H > S+ 0 0 7 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.905 107.8 51.8 -62.2 -41.7 51.5 23.4 30.1 105 109 A V H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.923 106.1 54.2 -59.7 -44.4 50.5 19.7 30.3 106 110 A A H >< S+ 0 0 22 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.873 104.5 55.4 -58.1 -36.8 52.0 19.5 33.8 107 111 A E H 3< S+ 0 0 145 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.711 106.2 51.6 -70.1 -20.0 49.9 22.5 34.8 108 112 A R T XX S+ 0 0 97 -3,-1.2 4,-1.6 -4,-0.8 3,-0.6 0.271 75.3 106.6-100.9 10.7 46.7 20.6 33.7 109 113 A V H <> S+ 0 0 0 -3,-1.3 4,-3.2 1,-0.2 5,-0.2 0.906 73.5 59.2 -55.6 -42.0 47.5 17.4 35.7 110 114 A P H 3> S+ 0 0 66 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.863 103.0 53.9 -57.9 -34.6 44.8 18.2 38.3 111 115 A Y H <> S+ 0 0 11 -3,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.927 112.0 43.7 -59.3 -48.4 42.2 18.1 35.4 112 116 A L H X>S+ 0 0 0 -4,-1.6 5,-2.3 2,-0.2 4,-1.3 0.934 113.0 51.9 -63.9 -46.4 43.4 14.7 34.4 113 117 A Q H <5S+ 0 0 94 -4,-3.2 3,-0.4 1,-0.2 -2,-0.2 0.902 109.3 49.2 -58.3 -43.6 43.5 13.4 37.9 114 118 A E H <5S+ 0 0 72 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.842 107.3 55.1 -65.4 -35.0 40.0 14.6 38.6 115 119 A L H <5S- 0 0 0 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.784 120.7-113.0 -65.2 -27.8 38.8 12.9 35.5 116 120 A G T <5 + 0 0 22 -4,-1.3 2,-0.2 -3,-0.4 -3,-0.2 0.562 57.0 163.8 105.2 13.9 40.3 9.7 36.8 117 121 A V < + 0 0 2 -5,-2.3 -1,-0.2 -6,-0.2 -27,-0.2 -0.468 15.3 163.0 -70.7 129.3 43.1 9.3 34.3 118 122 A R + 0 0 28 -29,-2.9 50,-2.4 1,-0.2 2,-0.4 0.350 69.2 50.3-118.5 -0.3 46.0 7.0 35.2 119 123 A Y E -ac 90 168A 0 -30,-1.5 -28,-1.9 48,-0.2 2,-0.6 -0.937 66.2-171.4-146.1 111.5 47.4 6.5 31.7 120 124 A L E -ac 91 169A 0 48,-2.7 50,-3.1 -2,-0.4 2,-0.7 -0.920 6.7-163.0-116.6 117.0 48.2 9.5 29.5 121 125 A H E -ac 92 170A 2 -30,-3.4 -28,-2.6 -2,-0.6 2,-0.6 -0.866 5.2-166.8 -96.6 111.4 49.2 9.1 25.9 122 126 A L E -ac 93 171A 0 48,-1.8 50,-0.6 -2,-0.7 3,-0.2 -0.914 24.1-126.9 -95.0 119.7 50.9 12.2 24.5 123 127 A L - 0 0 1 -30,-2.4 -28,-0.4 -2,-0.6 13,-0.1 -0.070 62.3 -36.4 -61.2 168.2 51.1 12.0 20.7 124 128 A P + 0 0 24 0, 0.0 -1,-0.2 0, 0.0 -29,-0.1 0.090 68.7 153.4 -46.8 122.7 54.5 12.5 19.0 125 129 A F + 0 0 4 -3,-0.2 21,-2.9 47,-0.2 2,-0.2 0.289 34.6 108.4-131.3 3.3 56.5 15.1 20.9 126 130 A L B S-I 145 0B 14 19,-0.3 19,-0.3 10,-0.2 16,-0.1 -0.507 89.5 -71.8 -80.3 154.2 60.1 14.2 20.2 127 131 A R - 0 0 67 17,-3.5 13,-2.8 14,-0.4 14,-1.4 -0.218 64.0-171.0 -53.4 128.9 62.2 16.4 17.8 128 132 A A B -J 139 0C 6 11,-0.3 11,-0.2 12,-0.2 3,-0.1 -0.680 29.7 -59.3-123.9 169.3 60.9 15.8 14.3 129 133 A R - 0 0 61 9,-2.3 2,-0.2 -2,-0.2 -1,-0.2 -0.108 55.5-106.1 -53.5 139.8 61.9 16.7 10.8 130 134 A A S S- 0 0 76 -3,-0.1 2,-0.4 3,-0.0 -1,-0.1 -0.465 92.6 -5.3 -59.9 131.8 62.2 20.4 9.8 131 135 A G S S+ 0 0 57 -2,-0.2 2,-0.2 -3,-0.1 -3,-0.0 -0.686 132.1 24.9 85.3-128.9 59.3 21.3 7.6 132 136 A D + 0 0 98 -2,-0.4 -3,-0.0 1,-0.1 0, 0.0 -0.523 63.6 161.2 -70.0 136.1 57.0 18.4 6.7 133 137 A N > > - 0 0 40 -2,-0.2 5,-2.1 -5,-0.1 3,-0.7 0.175 57.1-103.7-148.5 24.1 57.2 15.7 9.3 134 138 A D G > 5S- 0 0 32 1,-0.3 3,-1.7 2,-0.2 -2,-0.1 0.903 83.6 -52.6 55.9 47.6 54.1 13.5 9.0 135 139 A G G 3 5S- 0 0 39 1,-0.3 -1,-0.3 2,-0.1 -3,-0.1 0.792 110.1 -48.5 61.5 30.4 52.4 14.9 12.0 136 140 A G G < 5S+ 0 0 10 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.303 116.7 110.8 93.3 -7.0 55.5 14.3 14.2 137 141 A F T < 5 + 0 0 24 -3,-1.7 2,-0.9 -4,-0.3 -3,-0.2 0.514 58.4 79.6 -81.4 -5.3 55.9 10.7 13.0 138 142 A A S - 0 0 53 -14,-1.4 3,-1.2 3,-0.2 -14,-0.4 -0.763 53.3-162.9-163.7 110.3 66.0 12.4 17.6 142 146 A Y T 3 S+ 0 0 4 1,-0.2 -14,-0.0 -2,-0.2 3,-0.0 0.546 94.9 53.0 -70.1 -8.4 64.4 9.8 19.8 143 147 A G T 3 S+ 0 0 29 1,-0.1 2,-0.4 -16,-0.1 -1,-0.2 0.244 98.2 68.5-114.8 14.1 66.2 11.4 22.8 144 148 A Q S < S- 0 0 63 -3,-1.2 -17,-3.5 -17,-0.1 -3,-0.2 -0.987 73.6-125.6-139.5 129.1 65.2 15.0 22.5 145 149 A V B -I 126 0B 1 -2,-0.4 -19,-0.3 -19,-0.3 7,-0.2 -0.426 44.9 -95.9 -64.0 140.8 61.8 16.8 23.1 146 150 A E >> - 0 0 50 -21,-2.9 3,-2.5 1,-0.1 4,-1.1 -0.462 37.0-133.7 -56.2 117.7 60.7 18.9 20.1 147 151 A P G >4 S+ 0 0 77 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.833 102.4 58.7 -52.5 -40.5 62.0 22.4 21.2 148 152 A A G 34 S+ 0 0 86 1,-0.2 3,-0.1 -47,-0.0 -2,-0.1 0.712 112.6 43.4 -60.8 -17.8 58.7 24.2 20.4 149 153 A L G <4 S- 0 0 25 -3,-2.5 -47,-2.7 1,-0.4 -46,-0.4 0.622 126.3 -84.1-100.0 -18.4 57.0 21.9 22.8 150 154 A G << - 0 0 15 -4,-1.1 -1,-0.4 -3,-0.6 2,-0.2 -0.922 44.8 -73.8 146.1-169.0 59.7 22.0 25.6 151 155 A S > - 0 0 51 -2,-0.3 4,-1.7 -3,-0.1 3,-0.1 -0.657 43.5 -99.5-116.5 173.7 63.0 20.5 26.7 152 156 A N H > S+ 0 0 49 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.880 124.2 57.3 -60.5 -38.2 64.1 17.2 28.2 153 157 A D H > S+ 0 0 126 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.879 103.9 52.9 -58.9 -38.3 64.1 18.9 31.6 154 158 A D H > S+ 0 0 25 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.892 108.7 49.9 -64.7 -38.9 60.4 19.8 31.1 155 159 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.924 109.5 50.5 -64.6 -45.8 59.7 16.1 30.3 156 160 A V H X S+ 0 0 64 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.941 114.0 45.7 -55.2 -46.2 61.5 15.0 33.5 157 161 A A H X S+ 0 0 58 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.908 111.8 51.7 -65.0 -42.7 59.4 17.6 35.4 158 162 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.920 110.0 47.2 -60.4 -47.1 56.2 16.5 33.7 159 163 A T H X S+ 0 0 2 -4,-2.6 4,-2.6 108,-0.3 -1,-0.2 0.856 110.2 53.5 -68.4 -31.8 56.7 12.8 34.5 160 164 A A H X S+ 0 0 44 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.2 0.918 111.4 46.0 -65.1 -41.3 57.5 13.6 38.1 161 165 A R H X S+ 0 0 91 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.911 112.5 51.5 -64.1 -43.5 54.3 15.5 38.3 162 166 A L H ><>S+ 0 0 2 -4,-2.8 5,-2.8 1,-0.2 3,-0.6 0.914 107.1 52.2 -59.6 -45.3 52.4 12.7 36.6 163 167 A R H ><5S+ 0 0 61 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.881 104.1 56.5 -63.2 -37.2 53.8 10.1 39.0 164 168 A A H 3<5S+ 0 0 80 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.820 109.8 46.6 -62.7 -29.2 52.6 12.1 42.0 165 169 A A T <<5S- 0 0 5 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.327 120.1-112.4 -92.3 7.2 49.1 12.0 40.5 166 170 A N T < 5S+ 0 0 76 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.840 71.2 142.2 64.1 36.6 49.5 8.2 39.8 167 171 A I < - 0 0 1 -5,-2.8 2,-0.5 -8,-0.1 -48,-0.2 -0.912 41.6-147.5-113.4 135.0 49.5 8.8 36.0 168 172 A S E -c 119 0A 0 -50,-2.4 -48,-2.7 -2,-0.4 2,-0.5 -0.882 14.3-133.6-103.5 126.0 51.7 6.9 33.6 169 173 A L E -cd 120 269A 2 99,-0.5 101,-2.5 -2,-0.5 102,-1.7 -0.641 15.8-163.1 -80.4 125.1 53.1 8.5 30.4 170 174 A C E -cd 121 271A 0 -50,-3.1 -48,-1.8 -2,-0.5 2,-0.4 -0.928 12.1-175.6-102.1 129.0 52.8 6.6 27.2 171 175 A A E -cd 122 272A 0 100,-2.6 102,-2.1 -2,-0.5 2,-0.1 -0.955 27.5-110.1-124.3 146.1 54.9 7.8 24.3 172 176 A D E - d 0 273A 9 -50,-0.6 2,-0.5 -2,-0.4 102,-0.2 -0.463 22.7-164.8 -68.2 140.2 55.2 6.8 20.7 173 177 A F E - d 0 274A 0 100,-2.7 102,-2.0 -2,-0.1 2,-1.7 -0.940 11.5-151.4-125.2 103.5 58.4 5.0 19.7 174 178 A V + 0 0 3 -2,-0.5 3,-0.4 1,-0.2 -35,-0.1 -0.584 24.6 171.7 -80.4 86.0 58.5 5.0 15.9 175 179 A L + 0 0 0 -2,-1.7 -1,-0.2 100,-0.5 101,-0.1 0.749 61.8 56.7 -67.3 -32.7 60.5 1.8 15.4 176 180 A N S S+ 0 0 0 99,-0.8 70,-2.8 -3,-0.1 2,-0.3 0.795 112.2 2.9 -79.8 -30.8 60.3 1.3 11.7 177 181 A H E -K 245 0D 5 -3,-0.4 -38,-0.3 68,-0.3 2,-0.3 -0.976 55.4-144.0-157.2 156.4 61.8 4.5 10.2 178 182 A T E -K 244 0D 0 66,-2.0 66,-1.8 -2,-0.3 -38,-0.2 -0.777 37.9 -89.5-118.7 166.6 63.4 7.8 11.1 179 183 A A E > -K 243 0D 0 -40,-2.8 3,-1.8 -2,-0.3 6,-0.3 -0.465 41.1-115.8 -65.8 152.5 63.3 11.3 9.5 180 184 A D T 3 S+ 0 0 26 62,-1.9 -1,-0.1 1,-0.3 63,-0.1 0.380 115.5 57.5 -76.6 6.5 65.9 11.8 6.8 181 185 A D T 3 S+ 0 0 32 61,-0.2 -1,-0.3 -42,-0.1 -41,-0.1 0.221 75.5 124.7-118.3 10.7 67.5 14.4 9.0 182 186 A H S <> S- 0 0 8 -3,-1.8 4,-2.5 -43,-0.2 3,-0.3 -0.333 79.6-106.9 -54.5 151.9 68.0 12.1 12.0 183 187 A A H > S+ 0 0 58 -43,-0.8 4,-2.1 1,-0.2 5,-0.1 0.838 121.7 52.2 -55.3 -35.4 71.7 12.1 13.1 184 188 A W H > S+ 0 0 27 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 110.4 47.7 -69.2 -39.2 72.1 8.6 11.6 185 189 A A H > S+ 0 0 0 -6,-0.3 4,-2.5 -3,-0.3 -2,-0.2 0.873 111.0 51.2 -67.4 -39.4 70.7 9.7 8.3 186 190 A Q H X S+ 0 0 110 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.895 109.2 50.8 -64.6 -38.3 72.9 12.8 8.3 187 191 A A H <>S+ 0 0 25 -4,-2.1 5,-2.5 -5,-0.2 -2,-0.2 0.904 110.9 48.9 -66.2 -40.6 76.0 10.6 8.9 188 192 A A H ><5S+ 0 0 3 -4,-2.1 3,-1.8 7,-0.2 -2,-0.2 0.923 110.3 50.7 -58.9 -46.1 74.9 8.3 6.0 189 193 A R H 3<5S+ 0 0 67 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.779 105.2 57.6 -66.0 -24.6 74.5 11.4 3.8 190 194 A A T 3<5S- 0 0 87 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.363 127.7 -98.5 -88.0 3.6 78.0 12.5 4.8 191 195 A G T < 5S+ 0 0 57 -3,-1.8 2,-1.1 1,-0.2 -3,-0.2 0.539 73.4 145.3 98.2 9.4 79.4 9.3 3.5 192 196 A D >>< - 0 0 69 -5,-2.5 4,-2.1 1,-0.2 3,-1.0 -0.695 31.8-164.5 -84.6 102.7 79.7 7.2 6.7 193 197 A T H 3> S+ 0 0 96 -2,-1.1 4,-2.1 1,-0.3 -1,-0.2 0.744 83.6 67.2 -62.3 -25.4 78.9 3.7 5.5 194 198 A R H 34 S+ 0 0 140 1,-0.2 -1,-0.3 2,-0.2 -6,-0.1 0.920 110.5 34.3 -58.7 -44.9 78.4 2.5 9.0 195 199 A Y H X4 S+ 0 0 39 -3,-1.0 3,-2.0 2,-0.2 -7,-0.2 0.790 109.2 63.4 -83.8 -28.7 75.3 4.7 9.3 196 200 A L H >< S+ 0 0 19 -4,-2.1 3,-2.0 1,-0.3 -2,-0.2 0.930 99.9 57.8 -55.2 -40.0 74.3 4.2 5.7 197 201 A D T 3< S+ 0 0 69 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.449 85.8 77.0 -72.2 -0.8 74.0 0.6 6.8 198 202 A Y T < S+ 0 0 2 -3,-2.0 49,-2.9 -14,-0.2 -1,-0.3 0.542 102.7 44.0 -77.6 -8.6 71.5 1.7 9.5 199 203 A Y B < S-L 246 0E 1 -3,-2.0 2,-0.7 47,-0.3 47,-0.2 -0.725 97.8 -94.2-128.6 175.9 69.1 1.9 6.5 200 204 A H + 0 0 23 45,-1.0 36,-2.1 36,-0.2 2,-0.4 -0.862 52.3 171.3 -97.0 111.5 68.1 -0.1 3.5 201 205 A H E -M 235 0F 51 -2,-0.7 2,-0.4 34,-0.2 34,-0.2 -0.948 17.3-168.7-130.4 142.3 70.1 1.2 0.5 202 206 A F E -M 234 0F 39 32,-2.3 32,-2.9 -2,-0.4 -2,-0.0 -0.993 22.2-143.8-135.6 132.9 70.6 0.0 -3.1 203 207 A A S S+ 0 0 76 -2,-0.4 2,-0.2 30,-0.2 -1,-0.1 0.789 85.9 3.8 -64.9 -28.6 73.1 1.1 -5.7 204 208 A D S S- 0 0 91 30,-0.1 3,-0.4 29,-0.0 30,-0.1 -0.820 85.7 -88.6-146.9-175.6 70.6 0.8 -8.5 205 209 A R S > S+ 0 0 64 -2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.438 92.7 99.6 -81.1 -0.4 66.9 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55.1 -4.6 -1.9 216 220 A V - 0 0 94 71,-0.4 2,-0.3 -2,-0.2 -3,-0.0 -0.882 23.5-126.6 -96.7 124.3 51.8 -2.9 -1.2 217 221 A Q - 0 0 91 -2,-0.5 7,-0.1 1,-0.2 22,-0.1 -0.544 16.9-166.0 -72.0 131.8 51.9 0.9 -1.5 218 222 A V S S+ 0 0 48 20,-0.5 -1,-0.2 -2,-0.3 21,-0.1 0.860 89.4 29.1 -81.1 -40.6 50.7 2.8 1.6 219 223 A F 0 0 78 19,-0.4 -1,-0.2 4,-0.3 -2,-0.0 -0.540 360.0 360.0-121.3 64.8 50.5 6.1 -0.2 220 224 A P 0 0 112 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.944 360.0 360.0 -50.6 360.0 49.7 5.3 -3.9 221 ! 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 0.0 222 228 A P 0 0 137 0, 0.0 2,-0.1 0, 0.0 17,-0.0 0.000 360.0 360.0 360.0 124.6 53.8 7.0 -4.5 223 229 A G - 0 0 28 1,-0.1 -4,-0.3 15,-0.1 -5,-0.3 -0.346 360.0-117.9 117.2 166.2 56.5 4.3 -4.2 224 230 A N S S+ 0 0 5 1,-0.1 13,-2.9 -2,-0.1 2,-0.4 0.395 92.7 54.6-118.3 -4.5 58.5 2.3 -1.7 225 231 A F E -N 236 0F 14 11,-0.3 2,-0.4 13,-0.1 11,-0.2 -0.988 60.7-162.2-136.8 140.0 61.9 3.6 -2.7 226 232 A T E -N 235 0F 38 9,-2.8 9,-3.1 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