==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-MAR-04 1V03 . COMPND 2 MOLECULE: DHURRINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SORGHUM BICOLOR MILO; . AUTHOR J.MORINIERE,L.VERDOUCQ,D.R.BEVAN,A.ESEN,B.HENRISSAT, . 487 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18309.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 349 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 1 0.2 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 . 30 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.7 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 2 1 0 3 2 1 0 0 1 0 0 1 2 0 0 1 0 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 3 3 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 . 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 0 0 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 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 I 0 0 122 0, 0.0 2,-0.6 0, 0.0 413,-0.0 0.000 360.0 360.0 360.0 135.9 39.9 73.0 86.2 2 12 A H - 0 0 170 1,-0.0 2,-0.1 416,-0.0 0, 0.0 -0.688 360.0-159.6 -91.6 117.2 42.4 74.6 83.8 3 13 A R - 0 0 73 -2,-0.6 2,-0.1 1,-0.1 412,-0.0 -0.442 25.7 -94.3 -91.0 159.9 42.2 73.1 80.3 4 14 A L - 0 0 31 -2,-0.1 -1,-0.1 1,-0.1 5,-0.1 -0.444 49.4-100.5 -66.1 145.9 44.7 73.1 77.4 5 15 A S > - 0 0 51 1,-0.1 3,-1.8 -2,-0.1 4,-0.4 -0.350 38.8-105.2 -61.9 153.0 44.3 76.0 75.0 6 16 A P G > S+ 0 0 99 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.827 120.7 50.5 -55.7 -34.7 42.5 74.9 71.8 7 17 A W G 3 S+ 0 0 175 1,-0.2 -2,-0.0 3,-0.0 -3,-0.0 0.600 106.9 56.1 -81.9 -11.3 45.7 74.9 69.7 8 18 A E G < S+ 0 0 93 -3,-1.8 -1,-0.2 2,-0.1 -3,-0.1 0.395 81.2 107.8 -94.7 1.0 47.5 72.8 72.3 9 19 A I S < S- 0 0 29 -3,-0.9 413,-0.1 -4,-0.4 412,-0.0 -0.686 80.2-107.6 -81.9 128.4 44.8 70.0 72.2 10 20 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.191 30.4-158.4 -59.2 145.0 46.2 66.9 70.4 11 21 A R > - 0 0 174 1,-0.1 3,-2.1 -3,-0.0 4,-0.3 -0.853 30.2-109.9-118.6 157.1 45.1 66.0 66.9 12 22 A R G > S+ 0 0 55 472,-0.3 3,-1.9 -2,-0.3 -1,-0.1 0.851 114.6 58.5 -59.3 -35.7 45.3 62.5 65.5 13 23 A D G 3 S+ 0 0 137 1,-0.3 -1,-0.3 -3,-0.0 0, 0.0 0.454 80.3 84.2 -84.5 9.8 48.0 63.4 63.0 14 24 A W G < S+ 0 0 57 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.729 95.9 58.0 -60.0 -24.5 50.3 64.5 65.8 15 25 A F S < S- 0 0 6 -3,-1.9 423,-0.0 -4,-0.3 413,-0.0 -0.819 104.4 -88.4-113.7 149.7 50.9 60.7 65.8 16 26 A P > - 0 0 54 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.078 35.6-114.7 -50.5 148.9 52.2 58.4 63.0 17 27 A P T 3 S+ 0 0 130 0, 0.0 -2,-0.0 0, 0.0 -4,-0.0 0.860 118.4 50.2 -52.0 -40.8 49.7 56.9 60.6 18 28 A S T 3 S+ 0 0 105 2,-0.1 420,-0.0 421,-0.0 -3,-0.0 0.584 84.1 118.8 -79.1 -10.2 50.5 53.4 62.0 19 29 A F < - 0 0 2 -3,-1.3 2,-0.4 1,-0.1 420,-0.2 -0.206 60.1-131.0 -53.6 141.9 50.1 54.5 65.7 20 30 A L E -a 439 0A 32 418,-2.0 420,-2.7 64,-0.0 2,-0.4 -0.836 17.7-167.7-103.7 136.6 47.4 52.6 67.6 21 31 A F E +a 440 0A 1 -2,-0.4 63,-2.5 418,-0.2 64,-1.2 -0.973 30.4 133.2-117.2 133.5 44.7 54.1 69.7 22 32 A G E -ab 441 85A 2 418,-2.4 420,-2.3 -2,-0.4 2,-0.3 -0.808 42.3-120.9-154.3-167.1 42.7 51.8 72.0 23 33 A A E -ab 442 86A 0 62,-0.7 64,-2.3 418,-0.3 2,-0.3 -0.921 23.2-141.9-147.0 169.7 41.2 51.1 75.4 24 34 A A E +ab 443 87A 0 418,-2.1 421,-1.4 -2,-0.3 420,-0.7 -0.969 19.3 166.5-141.6 152.0 41.8 48.3 77.9 25 35 A T - 0 0 1 62,-2.2 2,-0.3 -2,-0.3 423,-0.0 -0.815 23.9-130.3-143.7-179.5 40.0 46.1 80.5 26 36 A S > - 0 0 0 -2,-0.2 4,-1.4 62,-0.2 5,-0.3 -0.985 24.6-112.2-137.6 155.3 40.7 43.0 82.5 27 37 A A H >> S+ 0 0 2 -2,-0.3 4,-2.6 1,-0.2 3,-0.8 0.899 111.8 41.1 -51.6 -59.6 38.6 39.8 83.0 28 38 A Y H 34 S+ 0 0 13 105,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.860 113.9 55.4 -62.3 -32.2 37.7 40.0 86.6 29 39 A Q H 34 S+ 0 0 1 -3,-0.2 420,-2.2 1,-0.1 -1,-0.2 0.742 127.0 12.0 -75.4 -24.0 37.0 43.7 86.4 30 40 A I H << S+ 0 0 7 -4,-1.4 37,-2.6 -3,-0.8 35,-0.8 0.688 109.3 71.9-120.1 -27.2 34.4 43.5 83.6 31 41 A E < + 0 0 8 -4,-2.6 37,-2.4 -5,-0.3 38,-0.5 0.871 56.7 175.3 -69.1 -44.3 33.2 39.9 82.8 32 42 A G + 0 0 6 -5,-0.4 31,-0.3 -4,-0.3 -1,-0.1 -0.342 42.0 108.8 59.4-149.7 31.0 38.9 85.7 33 43 A A > + 0 0 3 29,-1.0 3,-1.0 1,-0.1 30,-0.1 0.947 45.6 170.5 50.8 53.6 29.4 35.5 85.2 34 44 A W T 3 S+ 0 0 70 28,-1.1 -1,-0.1 1,-0.3 8,-0.1 0.660 71.7 28.7 -78.4 -20.7 31.7 34.3 87.9 35 45 A N T 3 S+ 0 0 96 27,-0.2 3,-0.3 6,-0.1 -1,-0.3 -0.030 100.3 113.6-125.5 25.7 30.1 30.9 88.4 36 46 A E X + 0 0 71 -3,-1.0 3,-1.9 1,-0.2 -4,-0.0 -0.702 69.4 6.9-109.6 154.9 28.7 30.3 84.9 37 47 A D T 3 S- 0 0 70 1,-0.3 72,-0.3 -2,-0.3 71,-0.2 0.765 128.6 -53.0 51.9 36.0 29.4 27.9 82.0 38 48 A G T 3 S+ 0 0 51 -3,-0.3 -1,-0.3 1,-0.2 2,-0.1 0.398 89.2 157.1 88.9 -3.3 31.8 25.8 84.0 39 49 A K < - 0 0 18 -3,-1.9 -1,-0.2 -6,-0.1 55,-0.2 -0.351 34.1-136.7 -60.7 130.1 34.2 28.6 85.2 40 50 A G - 0 0 7 53,-2.6 2,-0.2 -2,-0.1 58,-0.1 -0.329 29.3 -91.0 -80.6 163.4 36.2 27.8 88.3 41 51 A P - 0 0 59 0, 0.0 97,-3.0 0, 0.0 98,-0.5 -0.504 38.7-153.5 -73.2 142.8 36.7 30.3 91.2 42 52 A S B > -I 137 0B 1 95,-0.3 4,-2.3 96,-0.2 5,-0.2 -0.580 36.8 -96.4-101.6 176.7 39.7 32.6 91.1 43 53 A T H > S+ 0 0 2 93,-2.2 4,-2.4 -2,-0.2 5,-0.2 0.797 126.2 58.0 -59.1 -30.5 41.4 34.2 94.0 44 54 A W H > S+ 0 0 0 2,-0.2 4,-2.5 92,-0.2 5,-0.3 0.929 105.8 47.5 -73.4 -41.7 39.3 37.3 93.4 45 55 A D H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.967 115.2 47.2 -48.1 -53.2 36.1 35.3 93.7 46 56 A H H X S+ 0 0 65 -4,-2.3 4,-1.7 1,-0.2 5,-0.3 0.879 112.7 48.3 -63.2 -41.4 37.4 33.7 96.9 47 57 A F H X S+ 0 0 4 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.938 114.5 43.5 -67.8 -47.5 38.6 37.0 98.3 48 58 A C H < S+ 0 0 5 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.919 116.4 48.3 -67.0 -38.1 35.4 38.9 97.7 49 59 A H H < S+ 0 0 72 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.790 122.7 31.7 -75.1 -24.3 33.2 36.0 98.9 50 60 A N H < S+ 0 0 88 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.698 129.9 32.2-102.5 -24.5 35.2 35.4 102.2 51 61 A F >< + 0 0 53 -4,-2.7 3,-2.6 -5,-0.3 -2,-0.2 -0.353 63.9 149.1-131.1 54.1 36.4 38.9 103.0 52 62 A P G > S+ 0 0 59 0, 0.0 3,-2.1 0, 0.0 6,-0.3 0.837 70.7 67.3 -60.1 -31.7 33.7 41.3 101.7 53 63 A E G 3 S+ 0 0 129 1,-0.3 -5,-0.1 -3,-0.1 5,-0.1 0.603 89.6 66.3 -64.2 -8.8 34.6 43.7 104.5 54 64 A W G < S+ 0 0 84 -3,-2.6 2,-0.5 -7,-0.2 -1,-0.3 0.342 85.8 78.8 -97.4 6.8 37.9 44.3 102.7 55 65 A I S X S- 0 0 3 -3,-2.1 3,-2.7 -7,-0.1 398,-0.2 -0.976 88.4-130.9-109.3 130.2 36.2 45.9 99.7 56 66 A V T 3 S+ 0 0 101 396,-2.9 397,-0.1 -2,-0.5 -1,-0.1 0.781 105.3 30.5 -60.0 -31.1 35.3 49.4 100.7 57 67 A D T 3 S- 0 0 64 395,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.028 111.1-113.3-112.3 20.5 31.7 49.2 99.5 58 68 A R S < S+ 0 0 49 -3,-2.7 2,-0.1 -6,-0.3 -2,-0.1 0.823 73.5 136.5 54.8 35.1 31.3 45.5 100.3 59 69 A S - 0 0 18 -7,-0.1 2,-0.3 393,-0.1 -1,-0.2 -0.473 33.4-167.8-104.7-179.9 31.0 44.8 96.5 60 70 A N - 0 0 47 -2,-0.1 4,-0.5 -3,-0.1 3,-0.4 -0.924 36.2-101.2-153.6-178.6 32.4 42.2 94.1 61 71 A G S S+ 0 0 2 -2,-0.3 -29,-0.3 1,-0.2 4,-0.1 0.072 73.6 119.9 -97.6 23.5 32.9 41.1 90.5 62 72 A D S S- 0 0 41 1,-0.2 -28,-1.1 -30,-0.1 -29,-1.0 0.903 103.6 -0.1 -53.7 -39.3 30.0 38.6 90.4 63 73 A V S > S+ 0 0 69 -3,-0.4 3,-3.4 -31,-0.3 4,-0.3 0.693 86.4 161.4-114.3 -44.4 28.5 40.7 87.6 64 74 A A T 3 S- 0 0 0 -4,-0.5 -34,-0.2 1,-0.3 -33,-0.1 -0.304 83.3 -18.2 58.0-120.9 30.9 43.6 87.1 65 75 A A T 3 S- 0 0 0 -35,-0.8 -1,-0.3 -2,-0.1 -34,-0.1 0.259 87.1-124.4 -98.6 9.3 30.2 45.1 83.7 66 76 A D X> + 0 0 41 -3,-3.4 4,-3.0 1,-0.1 3,-0.6 0.755 59.0 151.2 55.8 28.1 28.4 41.9 82.7 67 77 A S H 3> + 0 0 0 -37,-2.6 4,-0.7 -4,-0.3 -36,-0.2 0.648 58.3 70.2 -68.0 -17.9 30.8 41.7 79.7 68 78 A Y H 34 S+ 0 0 17 -37,-2.4 3,-0.3 -38,-0.3 -1,-0.2 0.971 118.6 23.4 -60.0 -45.6 30.6 37.9 79.5 69 79 A H H <4 S+ 0 0 97 -3,-0.6 3,-0.4 -38,-0.5 -2,-0.2 0.892 130.2 44.0 -83.2 -38.8 27.0 38.5 78.3 70 80 A M H >X S+ 0 0 40 -4,-3.0 4,-1.5 1,-0.2 3,-1.4 0.116 71.7 120.4 -97.4 22.0 27.3 42.1 76.9 71 81 A Y H 3X + 0 0 41 -4,-0.7 4,-2.0 -3,-0.3 -1,-0.2 0.728 68.1 63.3 -60.9 -22.6 30.6 41.8 75.0 72 82 A A H 3> S+ 0 0 50 -3,-0.4 4,-2.0 2,-0.2 -1,-0.3 0.831 101.6 51.3 -74.2 -28.6 29.0 42.7 71.7 73 83 A E H <> S+ 0 0 63 -3,-1.4 4,-2.6 2,-0.2 5,-0.2 0.930 105.2 56.6 -70.0 -43.0 28.2 46.1 73.1 74 84 A D H X S+ 0 0 3 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.951 110.5 44.4 -47.5 -51.4 31.8 46.4 74.2 75 85 A V H X S+ 0 0 1 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.885 109.1 56.1 -67.1 -38.0 32.9 45.9 70.6 76 86 A R H X S+ 0 0 91 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.937 107.6 48.8 -57.0 -47.6 30.2 48.2 69.2 77 87 A L H X S+ 0 0 3 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.923 109.5 51.8 -63.4 -40.3 31.5 51.0 71.4 78 88 A L H X>S+ 0 0 0 -4,-1.9 5,-2.1 -5,-0.2 4,-0.5 0.920 112.0 47.3 -60.9 -42.8 35.1 50.4 70.3 79 89 A K H ><5S+ 0 0 107 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.953 110.2 50.3 -63.6 -50.3 34.1 50.5 66.6 80 90 A E H 3<5S+ 0 0 74 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.848 109.1 53.5 -59.4 -32.7 32.0 53.7 66.9 81 91 A M H 3<5S- 0 0 0 -4,-2.0 404,-0.3 -5,-0.2 -1,-0.3 0.622 112.4-121.8 -76.4 -10.9 34.9 55.4 68.7 82 92 A G T <<5 + 0 0 21 -3,-1.7 -3,-0.2 -4,-0.5 -61,-0.2 0.724 48.6 171.1 78.7 20.0 37.3 54.5 65.8 83 93 A M < - 0 0 10 -5,-2.1 -61,-0.2 -6,-0.2 -1,-0.2 -0.368 28.8-154.9 -65.0 142.2 39.7 52.5 68.0 84 94 A D S S+ 0 0 57 -63,-2.5 42,-2.9 1,-0.1 2,-0.3 0.661 72.7 12.5 -83.8 -21.0 42.4 50.5 66.3 85 95 A A E -bc 22 126A 0 -64,-1.2 -62,-0.7 40,-0.3 2,-0.4 -0.969 57.3-148.3-157.6 164.0 42.9 48.0 69.1 86 96 A Y E -bc 23 127A 2 40,-2.1 42,-2.6 -2,-0.3 2,-0.6 -0.983 8.3-151.6-145.7 127.5 41.6 46.6 72.3 87 97 A R E +bc 24 128A 0 -64,-2.3 -62,-2.2 -2,-0.4 2,-0.3 -0.899 29.5 156.1 -99.5 119.5 43.4 45.1 75.3 88 98 A F E - c 0 129A 4 40,-1.5 42,-2.4 -2,-0.6 2,-0.3 -0.916 31.0-128.1-132.5 162.4 41.5 42.5 77.2 89 99 A S E - c 0 130A 2 -2,-0.3 2,-0.4 40,-0.2 42,-0.2 -0.798 13.7-124.3-111.0 154.6 42.6 39.7 79.5 90 100 A I - 0 0 0 40,-2.2 2,-0.8 -2,-0.3 43,-0.3 -0.809 23.9-125.5 -93.1 134.6 41.8 36.0 79.6 91 101 A S >> - 0 0 4 -2,-0.4 3,-1.4 1,-0.2 4,-1.4 -0.723 14.3-154.0 -82.3 108.4 40.4 34.4 82.7 92 102 A W H >> S+ 0 0 0 -2,-0.8 4,-2.6 1,-0.3 3,-1.3 0.918 94.6 44.4 -47.3 -57.5 42.6 31.5 83.7 93 103 A P H 34 S+ 0 0 0 0, 0.0 -53,-2.6 0, 0.0 -1,-0.3 0.597 106.5 61.6 -73.1 -7.4 39.9 29.6 85.6 94 104 A R H <4 S+ 0 0 2 -3,-1.4 15,-0.3 -55,-0.2 -2,-0.2 0.735 115.2 34.1 -80.3 -25.3 37.4 30.3 82.8 95 105 A I H << S+ 0 0 0 -4,-1.4 11,-2.1 -3,-1.3 15,-0.2 0.795 137.7 20.0 -95.0 -33.9 39.7 28.3 80.5 96 106 A L S >< S- 0 0 0 -4,-2.6 3,-2.9 -5,-0.2 -1,-0.2 -0.772 70.4-168.4-137.0 87.1 41.0 25.7 83.0 97 107 A P T 3 S+ 0 0 27 0, 0.0 42,-0.3 0, 0.0 41,-0.1 0.738 92.0 40.0 -53.9 -31.2 38.5 25.6 85.9 98 108 A K T 3 S- 0 0 128 6,-0.4 3,-0.1 2,-0.3 4,-0.1 0.381 113.8-118.0 -97.1 1.4 40.9 23.6 88.1 99 109 A G S < S+ 0 0 0 -3,-2.9 2,-0.3 1,-0.2 60,-0.2 0.088 83.5 90.8 90.4 -22.6 43.9 25.6 86.9 100 110 A T S > S- 0 0 33 1,-0.1 3,-0.6 58,-0.1 -2,-0.3 -0.710 80.2-126.8-109.1 154.5 45.6 22.6 85.3 101 111 A L G > S+ 0 0 77 -2,-0.3 3,-2.0 1,-0.2 -1,-0.1 0.916 112.6 59.1 -55.6 -43.0 45.5 20.9 81.9 102 112 A A G 3 S+ 0 0 103 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.715 96.3 60.1 -65.1 -20.9 44.6 17.7 83.7 103 113 A G G < S- 0 0 25 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.588 118.3-103.6 -82.8 -8.7 41.5 19.2 85.2 104 114 A G < - 0 0 32 -3,-2.0 2,-0.5 -4,-0.3 -6,-0.4 0.174 23.2 -88.5 102.5 143.0 40.2 19.9 81.7 105 115 A I - 0 0 55 -9,-0.1 2,-1.1 -4,-0.1 -9,-0.2 -0.791 37.1-133.7 -83.1 123.1 39.8 22.7 79.2 106 116 A N > - 0 0 26 -11,-2.1 4,-2.0 -2,-0.5 3,-0.5 -0.664 17.6-166.2 -79.1 96.4 36.4 24.4 79.6 107 117 A E H > S+ 0 0 96 -2,-1.1 4,-2.8 1,-0.3 -1,-0.2 0.779 86.0 56.8 -60.7 -30.5 35.1 24.7 76.0 108 118 A K H > S+ 0 0 126 2,-0.2 4,-2.0 -71,-0.2 -1,-0.3 0.921 107.6 50.2 -64.6 -42.1 32.4 27.2 76.9 109 119 A G H > S+ 0 0 0 -3,-0.5 4,-1.4 -72,-0.3 -2,-0.2 0.952 112.3 47.1 -55.4 -51.5 35.1 29.4 78.3 110 120 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.898 108.7 53.5 -59.2 -43.1 37.1 29.0 75.1 111 121 A E H X S+ 0 0 81 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.889 102.7 59.9 -65.1 -34.9 34.2 29.7 72.8 112 122 A Y H X S+ 0 0 9 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.948 109.0 40.8 -54.6 -56.3 33.5 33.0 74.7 113 123 A Y H X S+ 0 0 0 -4,-1.4 4,-3.3 1,-0.2 5,-0.2 0.875 112.1 58.0 -63.3 -36.3 36.9 34.5 73.9 114 124 A N H X S+ 0 0 33 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.895 107.9 45.5 -59.7 -39.9 36.7 33.1 70.3 115 125 A K H X S+ 0 0 112 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.951 113.7 49.8 -69.4 -43.5 33.4 35.0 69.7 116 126 A L H X S+ 0 0 7 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.949 112.6 46.9 -58.2 -49.1 34.9 38.1 71.3 117 127 A I H X S+ 0 0 0 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.880 112.5 49.5 -61.8 -42.0 38.0 37.8 69.1 118 128 A D H X S+ 0 0 74 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.943 111.0 49.8 -63.4 -45.6 36.0 37.2 65.9 119 129 A L H X S+ 0 0 43 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.926 110.7 49.5 -61.9 -44.6 33.8 40.2 66.6 120 130 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.3 -5,-0.2 3,-0.5 0.953 113.7 45.4 -57.0 -50.5 36.7 42.5 67.2 121 131 A L H ><5S+ 0 0 57 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.865 105.7 59.2 -68.1 -33.3 38.5 41.4 64.0 122 132 A E H 3<5S+ 0 0 143 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.863 110.0 46.9 -59.0 -30.5 35.3 41.6 61.9 123 133 A N T <<5S- 0 0 51 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.244 120.7-106.9 -97.6 13.8 35.2 45.3 63.0 124 134 A G T < 5S+ 0 0 62 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.732 74.6 135.3 71.1 23.3 38.9 46.1 62.2 125 135 A I < - 0 0 1 -5,-2.3 -40,-0.3 -6,-0.2 -1,-0.2 -0.927 50.3-137.0-106.3 121.6 40.0 46.2 65.9 126 136 A E E -c 85 0A 50 -42,-2.9 -40,-2.1 -2,-0.5 2,-0.2 -0.664 18.3-132.9 -80.3 122.5 43.3 44.4 66.7 127 137 A P E -c 86 0A 0 0, 0.0 2,-0.5 0, 0.0 46,-0.3 -0.552 16.4-167.6 -75.9 136.7 43.1 42.3 69.9 128 138 A Y E -c 87 0A 6 -42,-2.6 -40,-1.5 -2,-0.2 2,-0.5 -0.984 19.7-154.7-119.6 111.6 46.0 42.7 72.4 129 139 A I E -cd 88 174A 0 44,-2.5 46,-2.5 -2,-0.5 2,-0.5 -0.818 13.5-157.8-101.9 128.4 45.6 39.9 74.8 130 140 A T E -cd 89 175A 0 -42,-2.4 -40,-2.2 -2,-0.5 46,-0.2 -0.855 6.6-158.8 -92.8 129.5 46.8 39.8 78.4 131 141 A I E S+ 0 0 0 44,-2.8 2,-0.4 -2,-0.5 -39,-0.2 0.876 73.7 24.1 -79.1 -37.7 47.1 36.2 79.6 132 142 A F E + d 0 177A 2 44,-0.6 46,-0.7 43,-0.4 -1,-0.2 -0.986 48.6 169.0-137.6 129.0 47.0 36.9 83.3 133 143 A H S S- 0 0 3 -2,-0.4 -105,-0.3 -43,-0.3 44,-0.1 -0.465 74.6 -72.6-135.8 61.1 45.6 39.8 85.3 134 144 A W S S+ 0 0 9 1,-0.1 2,-1.1 44,-0.1 -91,-0.1 0.362 96.2 120.4 84.8 1.2 45.8 38.6 89.0 135 145 A D - 0 0 1 -92,-0.1 -43,-0.3 -93,-0.1 -1,-0.1 -0.571 40.5-179.6-102.6 68.4 42.9 36.1 88.8 136 146 A T - 0 0 1 -2,-1.1 -93,-2.2 1,-0.1 -92,-0.2 -0.491 40.2 -99.2 -67.9 133.8 44.8 32.9 89.8 137 147 A P B >> -I 42 0B 0 0, 0.0 3,-1.1 0, 0.0 4,-1.1 -0.330 26.7-139.7 -51.0 123.9 42.5 29.7 89.9 138 148 A Q H 3> S+ 0 0 14 -97,-3.0 4,-2.5 1,-0.3 7,-0.2 0.762 99.7 68.4 -62.3 -22.4 41.6 29.2 93.5 139 149 A A H 3> S+ 0 0 32 -98,-0.5 4,-3.0 -42,-0.3 -1,-0.3 0.864 97.3 52.2 -65.9 -34.2 42.1 25.5 93.0 140 150 A L H <>>S+ 0 0 2 -3,-1.1 4,-2.4 2,-0.2 6,-1.7 0.853 108.4 50.5 -69.5 -33.1 45.9 26.1 92.5 141 151 A V H X5S+ 0 0 35 -4,-1.1 4,-1.2 4,-0.3 -2,-0.2 0.904 111.5 48.3 -66.3 -42.9 45.9 28.0 95.8 142 152 A E H <5S+ 0 0 128 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.957 115.8 45.0 -57.4 -51.2 44.1 25.0 97.4 143 153 A A H <5S- 0 0 64 -4,-3.0 -2,-0.2 1,-0.1 -1,-0.2 0.849 143.0 -19.5 -64.6 -39.9 46.6 22.6 95.8 144 154 A Y H <5S- 0 0 30 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.384 95.1 -83.5-158.6 10.3 49.9 24.5 96.6 145 155 A G ><< - 0 0 20 -4,-1.2 3,-1.9 -5,-0.7 -4,-0.3 0.600 59.5-121.2 88.3 13.6 49.4 28.2 97.4 146 156 A G G > S+ 0 0 0 -6,-1.7 3,-2.0 1,-0.3 6,-0.5 -0.302 91.5 11.1 57.3-125.0 49.4 29.3 93.7 147 157 A F G 3 S+ 0 0 0 1,-0.3 -1,-0.3 5,-0.1 74,-0.2 0.579 116.0 76.7 -64.7 -9.8 52.2 31.8 92.9 148 158 A L G < S+ 0 0 47 -3,-1.9 2,-0.4 73,-0.1 -1,-0.3 0.540 96.0 54.6 -76.2 -1.3 53.8 31.1 96.3 149 159 A D S X S- 0 0 54 -3,-2.0 3,-2.3 1,-0.1 4,-0.2 -0.983 83.2-127.0-136.7 142.4 55.1 27.8 94.9 150 160 A E T > S+ 0 0 111 -2,-0.4 3,-1.7 1,-0.3 4,-0.5 0.666 100.7 83.5 -65.1 -13.6 57.2 27.1 91.8 151 161 A R T >> S+ 0 0 135 1,-0.3 4,-1.3 2,-0.2 3,-0.5 0.803 76.8 72.8 -55.9 -24.1 54.5 24.6 90.8 152 162 A I H <> S+ 0 0 0 -3,-2.3 4,-3.1 -6,-0.5 -1,-0.3 0.830 83.5 69.2 -57.5 -30.2 52.7 27.6 89.4 153 163 A I H <> S+ 0 0 20 -3,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.899 100.0 42.3 -62.8 -46.7 55.1 27.8 86.5 154 164 A K H <> S+ 0 0 132 -3,-0.5 4,-2.5 -4,-0.5 -1,-0.2 0.897 115.8 49.9 -64.9 -42.5 54.0 24.6 84.7 155 165 A D H X S+ 0 0 20 -4,-1.3 4,-3.0 2,-0.2 -2,-0.2 0.962 111.9 48.7 -64.9 -45.1 50.3 25.4 85.2 156 166 A Y H X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.2 -2,-0.2 0.927 112.8 46.5 -58.4 -46.9 50.8 28.9 83.9 157 167 A T H X S+ 0 0 8 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.878 111.1 52.3 -69.7 -34.5 52.7 27.8 80.9 158 168 A D H X S+ 0 0 20 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.955 112.0 47.3 -56.2 -49.6 50.1 25.0 80.2 159 169 A F H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.947 111.7 49.5 -56.9 -49.1 47.4 27.8 80.4 160 170 A A H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.892 109.4 53.6 -58.4 -41.1 49.4 30.0 78.1 161 171 A K H X S+ 0 0 70 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.926 106.5 50.0 -60.1 -47.5 49.8 27.1 75.7 162 172 A V H X S+ 0 0 3 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.976 112.0 50.1 -54.3 -52.8 46.0 26.5 75.5 163 173 A C H X>S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.6 0.905 112.0 46.5 -51.6 -48.7 45.6 30.2 74.8 164 174 A F H X5S+ 0 0 2 -4,-2.8 4,-1.5 3,-0.2 5,-0.3 0.880 115.5 46.3 -63.7 -38.8 48.2 30.2 72.0 165 175 A E H <5S+ 0 0 101 -4,-2.8 4,-0.3 -5,-0.2 -2,-0.2 0.947 119.2 38.8 -67.7 -47.8 46.7 27.0 70.5 166 176 A K H <5S+ 0 0 76 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.870 136.4 14.2 -73.7 -37.8 43.0 28.2 70.6 167 177 A F H >X5S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.3 3,-1.1 0.589 97.1 92.9-115.7 -13.8 43.6 31.8 69.7 168 178 A G T 3< + 0 0 8 68,-1.7 4,-2.9 -2,-0.4 3,-0.3 0.891 67.6 174.3 48.5 54.6 51.3 45.0 86.5 180 190 A P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.879 77.2 56.8 -58.3 -31.1 53.5 42.3 88.0 181 191 A E H > S+ 0 0 14 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.918 109.4 43.1 -66.4 -42.9 54.8 44.9 90.5 182 192 A T H >>S+ 0 0 25 -3,-0.3 4,-2.3 1,-0.2 5,-0.8 0.960 112.8 54.6 -65.9 -45.4 51.3 45.7 91.7 183 193 A F H X5S+ 0 0 1 -4,-2.9 4,-1.0 1,-0.2 5,-0.3 0.916 117.1 35.6 -50.9 -47.9 50.4 42.1 91.8 184 194 A C H X5S+ 0 0 0 -4,-2.6 4,-1.3 -5,-0.2 5,-0.3 0.951 123.0 38.5 -76.4 -50.5 53.4 41.2 94.0 185 195 A S H <>S+ 0 0 4 -4,-2.8 5,-2.3 -5,-0.2 6,-0.3 0.819 125.1 35.6 -72.4 -30.2 53.7 44.2 96.3 186 196 A V H <5S+ 0 0 35 -4,-2.3 7,-1.6 -5,-0.4 6,-0.8 0.781 120.9 42.8-101.4 -27.7 50.0 44.8 96.9 187 197 A S H < S- 0 0 10 -7,-1.6 3,-2.6 -11,-0.1 4,-0.4 -0.738 104.4 -43.2-107.6 151.6 44.5 42.9 96.8 194 204 A A T 3 S+ 0 0 0 1,-0.4 -150,-0.1 -2,-0.3 -1,-0.1 -0.251 127.6 29.7 -51.2 135.5 43.5 39.2 96.6 195 205 A P T 3 S- 0 0 26 0, 0.0 -1,-0.4 0, 0.0 -7,-0.1 -0.972 93.1-147.9 -86.3 7.7 44.7 37.0 98.3 196 206 A G < + 0 0 0 -3,-2.6 10,-2.7 -9,-0.4 2,-0.3 0.857 33.7 161.3 81.3 36.3 45.2 39.7 100.8 197 207 A R B +j 206 0C 54 -10,-2.1 -6,-0.4 -4,-0.4 2,-0.3 -0.706 1.7 142.4-101.9 146.2 48.3 38.5 102.5 198 208 A a - 0 0 0 8,-1.6 11,-3.3 -2,-0.3 -8,-0.1 -0.940 50.4 -69.2-162.0 172.1 50.8 40.4 104.6 199 209 A S > - 0 0 19 -10,-0.4 3,-2.8 -2,-0.3 11,-0.2 -0.396 62.3 -86.6 -67.4 146.3 53.0 40.2 107.7 200 210 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.280 120.4 32.0 -45.2 135.1 51.5 39.9 111.2 201 211 A G T 3 S+ 0 0 87 1,-0.4 2,-0.4 6,-0.1 -2,-0.1 0.212 94.6 106.7 92.6 -15.8 51.0 43.4 112.4 202 212 A V S < S- 0 0 30 -3,-2.8 2,-1.0 5,-0.1 -1,-0.4 -0.773 79.7-114.2 -91.1 142.6 50.2 44.8 109.0 203 213 A S + 0 0 98 -2,-0.4 2,-0.3 -3,-0.1 -4,-0.0 -0.647 66.8 112.0 -85.1 104.1 46.5 45.5 108.4 204 214 A a S S- 0 0 7 -2,-1.0 -12,-0.1 -6,-0.1 -13,-0.1 -0.936 77.1 -91.7-157.4 175.6 45.1 43.2 105.7 205 215 A A S S+ 0 0 13 -14,-0.7 -8,-0.2 -2,-0.3 -9,-0.1 0.823 118.8 28.4 -66.1 -36.8 42.7 40.3 105.4 206 216 A V B +j 197 0C 32 -10,-2.7 -8,-1.6 -15,-0.2 2,-1.4 -0.697 68.1 176.4-128.9 78.1 45.2 37.5 105.9 207 217 A P + 0 0 50 0, 0.0 -6,-0.1 0, 0.0 -5,-0.1 -0.185 59.2 88.9 -84.3 46.9 48.0 38.8 108.1 208 218 A T + 0 0 101 -2,-1.4 -9,-0.2 -9,-0.1 -11,-0.1 0.007 69.7 82.3-123.8 26.1 49.9 35.6 108.4 209 219 A G S S- 0 0 12 -11,-3.3 2,-0.3 -3,-0.5 -20,-0.1 0.073 84.8-104.9 -99.4-138.9 52.1 35.9 105.3 210 220 A N >> - 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