==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-APR-04 1VEO . COMPND 2 MOLECULE: BETA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR A.HIRATA,M.ADACHI,S.UTSUMI,B.MIKAMI . 516 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20596.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 353 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 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 . 29 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.9 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 0 1 0 1 0 1 1 0 3 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 2 2 3 2 1 0 1 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 . 1 2 3 0 0 1 0 1 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 0 1 1 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 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 1 A A > 0 0 4 0, 0.0 3,-0.8 0, 0.0 386,-0.2 0.000 360.0 360.0 360.0-175.5 35.0 17.1 22.0 2 2 A V G > + 0 0 39 385,-2.0 3,-1.1 1,-0.2 452,-0.1 -0.338 360.0 19.2 -65.0 143.6 31.9 17.4 19.8 3 3 A N G 3 S- 0 0 130 450,-0.5 -1,-0.2 1,-0.2 451,-0.1 0.847 131.6 -66.2 66.0 35.9 30.6 14.2 18.3 4 4 A G G < S+ 0 0 15 -3,-0.8 453,-2.0 449,-0.5 -1,-0.2 0.577 105.5 125.9 65.3 9.2 32.4 11.9 20.7 5 5 A K < - 0 0 124 -3,-1.1 -1,-0.2 451,-0.2 2,-0.1 -0.346 52.6-130.8 -91.9 175.1 35.7 12.9 19.4 6 6 A G - 0 0 17 1,-0.3 -1,-0.1 -2,-0.1 383,-0.1 -0.390 46.0 -53.9-111.2-167.5 38.8 14.3 21.2 7 7 A M - 0 0 3 465,-0.5 -1,-0.3 438,-0.4 465,-0.2 -0.252 69.3 -86.0 -67.9 159.2 41.0 17.3 20.5 8 8 A N > - 0 0 19 382,-0.4 3,-1.9 377,-0.3 -1,-0.1 -0.510 30.7-144.0 -69.2 123.0 42.6 17.8 17.1 9 9 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 412,-0.1 0.672 98.4 56.2 -62.3 -16.4 45.9 15.8 17.0 10 10 A D T 3 S+ 0 0 105 380,-0.1 381,-0.1 408,-0.1 -2,-0.1 0.345 76.8 141.7 -97.3 6.0 47.5 18.5 14.9 11 11 A Y < + 0 0 2 -3,-1.9 2,-0.3 379,-0.1 381,-0.3 -0.139 23.4 174.1 -50.4 139.1 46.8 21.3 17.3 12 12 A K E -a 392 0A 72 379,-0.7 381,-2.1 406,-0.1 2,-0.4 -0.992 26.3-129.6-148.7 146.1 49.6 23.9 17.7 13 13 A A E -ab 393 43A 3 29,-0.7 31,-3.5 -2,-0.3 32,-0.9 -0.806 23.7-167.6 -99.8 139.5 49.9 27.2 19.5 14 14 A Y E -ab 394 45A 23 379,-3.2 381,-2.8 -2,-0.4 2,-0.5 -0.904 13.2-141.0-125.5 153.8 51.0 30.3 17.7 15 15 A L E -ab 395 46A 0 30,-2.2 32,-2.5 -2,-0.3 2,-0.5 -0.962 16.6-134.7-116.6 128.9 52.2 33.7 19.0 16 16 A M E - b 0 47A 6 379,-2.8 382,-3.0 -2,-0.5 381,-0.4 -0.707 25.0-134.0 -83.2 128.0 51.2 36.9 17.2 17 17 A A - 0 0 2 30,-2.9 380,-0.1 -2,-0.5 381,-0.1 -0.131 34.2 -78.8 -71.0 174.2 54.1 39.3 16.8 18 18 A P - 0 0 7 0, 0.0 31,-0.4 0, 0.0 -1,-0.2 -0.296 32.1-125.5 -71.4 164.1 54.0 43.0 17.5 19 19 A L S S+ 0 0 16 79,-0.1 2,-0.1 -3,-0.1 3,-0.1 0.872 94.8 68.0 -76.2 -38.1 52.4 45.3 14.9 20 20 A K S S- 0 0 73 1,-0.1 5,-0.1 78,-0.1 79,-0.1 -0.397 104.5 -88.9 -76.6 158.5 55.5 47.5 14.9 21 21 A K > - 0 0 63 1,-0.1 3,-2.1 -2,-0.1 4,-0.2 -0.345 38.9-112.1 -66.3 149.7 58.8 46.1 13.5 22 22 A I G >> S+ 0 0 2 1,-0.3 4,-3.0 2,-0.2 3,-2.4 0.886 116.2 58.9 -50.7 -45.9 61.0 44.3 16.0 23 23 A P G 34 S+ 0 0 72 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.630 102.0 56.0 -61.6 -12.1 63.7 47.0 16.0 24 24 A E G <4 S+ 0 0 124 -3,-2.1 -2,-0.2 1,-0.1 3,-0.1 0.367 117.4 34.7 -98.1 2.3 61.1 49.5 17.1 25 25 A V T <4 S- 0 0 54 -3,-2.4 2,-0.2 1,-0.5 -3,-0.1 0.670 130.6 -33.8-121.3 -43.5 60.3 47.4 20.1 26 26 A T S < S- 0 0 37 -4,-3.0 -1,-0.5 0, 0.0 2,-0.2 -0.827 74.0 -71.6-160.7-164.2 63.5 45.8 21.2 27 27 A N > - 0 0 78 -2,-0.2 4,-2.2 -3,-0.1 5,-0.1 -0.699 41.9-109.2-105.1 163.3 66.8 44.4 19.7 28 28 A W H > S+ 0 0 42 -2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.794 114.7 55.3 -60.4 -32.7 67.2 41.2 17.7 29 29 A E H > S+ 0 0 140 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.931 110.8 43.9 -67.6 -45.9 69.1 39.4 20.4 30 30 A T H > S+ 0 0 52 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.894 113.4 53.9 -64.0 -39.7 66.4 39.9 23.0 31 31 A F H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.932 107.0 49.4 -60.4 -47.1 63.9 39.0 20.3 32 32 A E H X S+ 0 0 27 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.873 112.8 48.5 -61.3 -34.5 65.7 35.7 19.6 33 33 A N H X S+ 0 0 82 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.862 107.1 55.3 -72.4 -36.3 65.7 35.1 23.4 34 34 A D H X S+ 0 0 22 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.871 108.6 49.5 -62.9 -36.8 62.0 35.9 23.6 35 35 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.883 108.1 51.2 -70.4 -38.8 61.4 33.3 20.9 36 36 A R H X S+ 0 0 102 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.894 113.6 47.2 -63.4 -38.1 63.4 30.6 22.7 37 37 A W H X S+ 0 0 89 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.893 111.0 50.2 -68.0 -43.5 61.3 31.4 25.8 38 38 A A H ><>S+ 0 0 0 -4,-2.4 5,-1.9 1,-0.2 3,-1.2 0.925 108.7 52.5 -61.8 -44.6 58.1 31.3 23.8 39 39 A K H ><5S+ 0 0 113 -4,-2.8 3,-1.7 1,-0.3 -1,-0.2 0.904 104.0 57.6 -58.9 -39.7 59.1 27.9 22.4 40 40 A Q H 3<5S+ 0 0 135 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.726 105.1 53.2 -62.6 -22.0 59.7 26.7 25.9 41 41 A N T <<5S- 0 0 6 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.241 129.7 -87.0-100.5 14.4 56.1 27.6 26.7 42 42 A G T < 5S+ 0 0 25 -3,-1.7 -29,-0.7 1,-0.3 2,-0.4 0.501 77.7 140.8 100.4 2.9 54.4 25.6 23.9 43 43 A F E < -b 13 0A 4 -5,-1.9 -1,-0.3 1,-0.2 -29,-0.2 -0.682 29.1-170.8 -83.9 132.2 54.4 28.1 21.0 44 44 A Y E - 0 0 84 -31,-3.5 37,-0.7 -2,-0.4 2,-0.3 0.830 65.2 -4.7 -88.4 -38.4 55.2 26.4 17.7 45 45 A A E -bc 14 81A 0 -32,-0.9 -30,-2.2 35,-0.1 2,-0.5 -0.986 61.2-120.1-153.8 161.4 55.6 29.5 15.5 46 46 A I E -bc 15 82A 0 35,-2.4 37,-2.2 -2,-0.3 2,-0.4 -0.921 24.3-148.6-107.8 125.1 55.3 33.3 15.5 47 47 A T E -bc 16 83A 1 -32,-2.5 -30,-2.9 -2,-0.5 2,-0.4 -0.786 22.5-177.5 -93.1 137.4 52.9 34.8 13.0 48 48 A V E - c 0 84A 5 35,-2.2 37,-2.6 -2,-0.4 2,-0.4 -0.995 26.5-124.3-141.9 144.0 53.9 38.2 11.7 49 49 A D E - c 0 85A 21 -31,-0.4 2,-0.6 -2,-0.4 37,-0.2 -0.699 15.5-165.4 -84.3 130.3 52.5 40.9 9.4 50 50 A F E - c 0 86A 5 35,-2.6 37,-0.9 -2,-0.4 2,-0.2 -0.958 26.5-136.0-115.2 104.4 54.7 42.0 6.5 51 51 A W E >> - c 0 87A 13 -2,-0.6 4,-2.1 1,-0.1 3,-1.7 -0.416 10.9-145.3 -69.1 132.6 53.1 45.2 5.4 52 52 A W H 3> S+ 0 0 0 35,-2.5 4,-1.8 37,-0.3 -1,-0.1 0.904 103.5 64.3 -59.7 -39.6 52.6 45.9 1.7 53 53 A G H 34 S+ 0 0 2 34,-0.3 -1,-0.3 36,-0.3 52,-0.1 0.689 109.0 40.2 -57.5 -18.9 53.3 49.5 2.6 54 54 A D H X4 S+ 0 0 37 -3,-1.7 3,-0.6 47,-0.1 -1,-0.2 0.812 113.9 49.5 -97.1 -39.1 56.8 48.4 3.5 55 55 A M H 3< S+ 0 0 7 -4,-2.1 9,-1.6 1,-0.2 -2,-0.2 0.622 128.1 18.2 -79.4 -14.3 57.6 45.9 0.8 56 56 A E T 3< S+ 0 0 0 -4,-1.8 -1,-0.2 7,-0.2 6,-0.2 -0.148 81.5 132.6-148.7 43.2 56.6 48.0 -2.3 57 57 A K < + 0 0 115 -3,-0.6 49,-0.4 1,-0.1 48,-0.2 0.955 66.2 52.4 -63.2 -57.5 56.6 51.6 -0.9 58 58 A N S S- 0 0 121 4,-0.3 2,-0.3 -4,-0.2 -1,-0.1 0.910 119.8 -53.2 -48.5 -58.0 58.6 53.5 -3.6 59 59 A G S > S- 0 0 8 3,-0.4 3,-2.5 46,-0.0 -1,-0.2 -0.982 77.9 -38.3-172.6 177.1 56.7 52.4 -6.6 60 60 A D T 3 S+ 0 0 60 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.252 126.0 2.2 -54.3 129.7 55.3 49.5 -8.7 61 61 A Q T 3 S+ 0 0 87 1,-0.2 2,-1.2 80,-0.1 -1,-0.3 0.517 94.8 124.6 69.1 7.0 57.8 46.6 -8.7 62 62 A Q < - 0 0 104 -3,-2.5 -3,-0.4 -6,-0.2 -4,-0.3 -0.717 46.1-175.6 -97.8 83.3 60.2 48.4 -6.4 63 63 A F - 0 0 59 -2,-1.2 2,-0.3 -7,-0.1 -7,-0.2 -0.409 25.6-174.2 -86.2 156.5 60.4 45.8 -3.7 64 64 A D + 0 0 80 -9,-1.6 3,-0.2 -2,-0.1 4,-0.2 -0.813 16.9 158.7-149.1 99.6 62.2 45.7 -0.3 65 65 A F > + 0 0 20 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.218 43.5 112.6-106.4 12.3 62.1 42.4 1.6 66 66 A S H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.853 78.8 46.6 -54.4 -40.1 65.1 43.3 3.7 67 67 A Y H > S+ 0 0 38 -3,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.961 111.5 49.9 -68.7 -49.6 63.0 43.5 6.8 68 68 A A H > S+ 0 0 2 1,-0.2 4,-2.2 -4,-0.2 -2,-0.2 0.893 113.5 47.9 -54.4 -40.8 61.2 40.2 6.2 69 69 A Q H X S+ 0 0 71 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.935 110.9 48.6 -67.3 -46.7 64.5 38.5 5.5 70 70 A R H X S+ 0 0 95 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.907 112.5 50.9 -60.0 -40.8 66.2 39.9 8.7 71 71 A F H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.914 110.1 47.6 -62.2 -45.9 63.2 38.8 10.7 72 72 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.854 106.5 59.6 -64.3 -35.0 63.3 35.3 9.3 73 73 A Q H X S+ 0 0 62 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.910 107.9 44.0 -59.9 -44.4 67.0 35.1 10.0 74 74 A S H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.853 110.5 54.5 -70.5 -35.6 66.4 35.7 13.7 75 75 A V H X>S+ 0 0 0 -4,-1.9 5,-2.5 2,-0.2 4,-0.6 0.931 110.1 48.3 -62.5 -43.0 63.5 33.2 13.8 76 76 A K H ><5S+ 0 0 76 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.930 108.9 53.1 -62.1 -45.0 65.9 30.7 12.3 77 77 A N H 3<5S+ 0 0 73 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.834 108.9 49.5 -58.7 -35.2 68.6 31.6 14.9 78 78 A A H 3<5S- 0 0 7 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.555 114.4-119.2 -81.6 -7.7 66.1 31.0 17.7 79 79 A G T <<5S+ 0 0 38 -3,-1.4 -3,-0.2 -4,-0.6 2,-0.2 0.842 70.9 127.1 72.9 33.9 65.1 27.6 16.2 80 80 A M < - 0 0 6 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.2 -0.501 55.7-120.7-112.7-178.0 61.5 28.6 15.6 81 81 A K E -c 45 0A 66 -37,-0.7 -35,-2.4 -2,-0.2 2,-0.3 -0.873 22.1-152.2-121.9 155.3 59.0 28.7 12.8 82 82 A M E -cd 46 160A 0 77,-3.6 79,-1.9 -2,-0.3 80,-0.8 -0.929 10.8-153.3-130.3 155.1 57.2 31.7 11.4 83 83 A I E -c 47 0A 0 -37,-2.2 -35,-2.2 -2,-0.3 80,-0.2 -0.924 22.0-152.3-127.2 100.8 53.9 32.3 9.7 84 84 A P E -c 48 0A 0 0, 0.0 80,-3.0 0, 0.0 2,-0.6 -0.500 2.5-152.3 -76.1 143.7 54.1 35.4 7.5 85 85 A I E -ce 49 164A 2 -37,-2.6 -35,-2.6 78,-0.2 2,-2.0 -0.980 11.2-143.9-114.0 118.9 50.9 37.4 6.8 86 86 A I E -ce 50 165A 0 78,-2.6 2,-1.2 -2,-0.6 80,-0.9 -0.616 24.0-160.9 -84.8 82.0 51.2 39.1 3.4 87 87 A S E +c 51 0A 0 -2,-2.0 -35,-2.5 -37,-0.9 -34,-0.3 -0.538 24.8 170.3 -73.1 94.7 49.3 42.1 4.7 88 88 A T + 0 0 0 -2,-1.2 42,-0.5 -37,-0.2 2,-0.3 0.070 58.1 85.3 -90.0 21.6 48.0 44.0 1.7 89 89 A H S S- 0 0 9 40,-0.1 -37,-0.3 13,-0.1 -36,-0.3 -0.766 88.8 -87.4-119.4 167.6 45.9 46.1 4.0 90 90 A Q - 0 0 50 38,-2.2 2,-0.6 -2,-0.3 80,-0.4 -0.505 30.0-139.4 -77.8 140.0 46.6 49.3 6.1 91 91 A a B S+K 101 0B 0 10,-2.1 10,-2.3 -2,-0.2 2,-0.1 -0.882 71.5 39.3 -98.1 123.6 48.1 49.1 9.6 92 92 A G S S+ 0 0 8 -2,-0.6 3,-0.1 8,-0.2 78,-0.1 0.065 80.9 67.2 112.2 135.6 46.5 51.6 11.9 93 93 A G S S+ 0 0 67 1,-0.5 87,-0.3 4,-0.1 2,-0.2 0.205 82.3 94.5 107.7 -15.6 42.9 52.8 12.3 94 94 A N S > S- 0 0 24 1,-0.1 3,-2.4 85,-0.1 -1,-0.5 -0.677 91.7 -69.5-107.6 164.4 41.5 49.5 13.6 95 95 A V T 3 S+ 0 0 123 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.261 121.2 8.7 -52.8 124.2 41.0 48.2 17.1 96 96 A G T 3 S+ 0 0 62 1,-0.3 -1,-0.3 -3,-0.0 2,-0.1 0.324 90.8 146.5 87.1 -8.9 44.3 47.6 18.8 97 97 A D < + 0 0 46 -3,-2.4 -1,-0.3 1,-0.1 -4,-0.1 -0.381 18.7 168.8 -67.1 137.6 46.4 49.2 16.0 98 98 A D + 0 0 97 -3,-0.1 2,-0.3 -2,-0.1 -78,-0.1 -0.605 54.4 68.8-148.4 71.0 49.5 50.9 17.1 99 99 A a - 0 0 26 -80,-0.1 2,-0.2 -2,-0.1 -6,-0.1 -0.939 66.0-135.9-173.5 173.0 51.3 51.5 13.8 100 100 A N + 0 0 132 -2,-0.3 -8,-0.2 -8,-0.1 -10,-0.0 -0.652 41.9 142.4-150.3 84.3 50.8 53.6 10.7 101 101 A V B -K 91 0B 20 -10,-2.3 -10,-2.1 -2,-0.2 -48,-0.3 -0.744 23.4-175.4-130.3 85.5 51.4 51.6 7.5 102 102 A P - 0 0 64 0, 0.0 3,-0.1 0, 0.0 26,-0.1 -0.263 38.8 -92.6 -72.1 166.6 49.1 52.5 4.6 103 103 A I - 0 0 4 24,-0.4 -15,-0.1 1,-0.2 -13,-0.1 -0.444 69.7 -60.6 -75.4 157.6 49.3 50.5 1.4 104 104 A P > - 0 0 3 0, 0.0 3,-1.2 0, 0.0 4,-0.4 -0.070 46.8-138.8 -40.4 124.8 51.6 52.0 -1.3 105 105 A S G > S+ 0 0 94 1,-0.2 3,-0.6 -48,-0.2 4,-0.2 0.758 97.1 64.3 -61.1 -25.1 50.3 55.4 -2.2 106 106 A W G > S+ 0 0 29 -49,-0.4 3,-1.7 1,-0.2 4,-0.4 0.753 82.4 75.4 -72.6 -24.9 51.0 54.9 -5.9 107 107 A V G X S+ 0 0 0 -3,-1.2 3,-1.4 1,-0.3 -1,-0.2 0.853 87.6 62.3 -56.7 -33.7 48.5 52.0 -6.2 108 108 A W G X S+ 0 0 42 -3,-0.6 3,-0.7 -4,-0.4 -1,-0.3 0.704 94.6 62.2 -66.6 -18.9 45.6 54.6 -6.1 109 109 A N G < S+ 0 0 132 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.574 78.4 84.0 -84.3 -9.3 46.9 56.2 -9.3 110 110 A Q G < S+ 0 0 67 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.2 0.422 94.0 49.2 -74.2 5.1 46.4 53.2 -11.5 111 111 A K < - 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0 0 4 133,-2.2 2,-1.8 -2,-0.3 3,-0.3 -0.636 45.7-109.3 -95.4 157.6 34.0 45.0 3.8 176 176 A P + 0 0 1 0, 0.0 3,-0.1 0, 0.0 132,-0.1 -0.471 65.9 143.2 -87.0 65.9 35.1 48.0 6.0 177 177 A S + 0 0 0 -2,-1.8 14,-1.3 1,-0.2 2,-0.5 0.595 57.0 55.7 -83.2 -14.5 31.6 48.3 7.4 178 178 A Y S S+ 0 0 37 -3,-0.3 2,-0.3 12,-0.2 -1,-0.2 -0.841 70.1 135.4-124.3 95.8 32.6 49.2 11.0 179 179 A T > - 0 0 16 -2,-0.5 5,-2.2 -3,-0.1 6,-0.5 -0.962 57.4-122.1-137.2 154.9 34.9 52.3 11.3 180 180 A T T > 5S+ 0 0 128 -87,-0.3 3,-1.8 -2,-0.3 5,-0.2 0.952 110.8 51.2 -60.1 -52.9 35.1 55.4 13.4 181 181 A S T 3 5S+ 0 0 93 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.681 110.2 50.0 -61.7 -19.0 34.9 57.9 10.6 182 182 A D T 3 5S- 0 0 5 -3,-0.5 -1,-0.3 -58,-0.1 -2,-0.2 0.474 110.8-121.4 -97.2 -3.6 31.8 56.2 9.1 183 183 A G T < 5S+ 0 0 54 -3,-1.8 -3,-0.2 -4,-0.5 -2,-0.1 0.796 85.4 110.4 68.9 28.8 30.0 56.2 12.5 184 184 A T < + 0 0 2 -5,-2.2 -4,-0.2 4,-0.1 -3,-0.1 0.099 38.6 136.5-120.3 19.6 29.8 52.4 12.4 185 185 A G > - 0 0 26 -6,-0.5 3,-2.5 -5,-0.2 -6,-0.1 -0.244 60.8 -31.2 -65.4 157.9 32.2 51.5 15.1 186 186 A Y T 3 S+ 0 0 128 1,-0.3 -1,-0.2 -8,-0.2 3,-0.1 -0.194 128.5 14.8 -50.8 138.6 31.3 48.8 17.7 187 187 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.822 102.0 101.8-103.4 32.4 28.6 48.2 18.7 188 188 A S S < S- 0 0 54 -3,-2.5 -4,-0.1 1,-0.1 105,-0.1 -0.132 80.3 -91.9 -68.4 165.7 26.7 50.1 15.9 189 189 A R - 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0 0 42 -5,-1.2 -1,-0.2 -6,-0.3 -2,-0.0 -0.399 62.0-135.1-106.0-174.7 9.0 45.9 -8.6 224 224 A K + 0 0 175 -2,-0.1 2,-0.1 -3,-0.1 -9,-0.1 -0.245 31.6 174.0-138.1 44.7 8.2 48.7 -11.1 225 225 A L - 0 0 32 -11,-0.2 -7,-0.1 1,-0.1 3,-0.1 -0.333 23.1-151.8 -58.5 130.9 11.6 50.1 -11.9 226 226 A I S S+ 0 0 153 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.877 70.9 0.4 -74.3 -39.4 11.3 52.7 -14.7 227 227 A S S > S- 0 0 36 1,-0.1 3,-1.8 -13,-0.1 4,-0.2 -0.929 76.3 -97.7-145.9 170.2 14.8 52.3 -16.1 228 228 A E G > S+ 0 0 92 -2,-0.3 3,-1.9 1,-0.3 -20,-0.1 0.810 117.1 65.2 -59.2 -32.2 18.0 50.3 -15.7 229 229 A L G 3 S+ 0 0 112 1,-0.3 -1,-0.3 3,-0.0 -25,-0.0 0.677 88.7 69.9 -65.5 -15.8 19.6 53.2 -13.8 230 230 A A G < S+ 0 0 44 -3,-1.8 2,-0.8 2,-0.1 -1,-0.3 0.578 71.8 99.8 -77.2 -11.5 16.9 52.5 -11.1 231 231 A I < + 0 0 0 -3,-1.9 -27,-0.2 -4,-0.2 -28,-0.1 -0.709 59.2 146.5 -77.2 111.5 18.7 49.2 -10.3 232 232 A L - 0 0 64 -2,-0.8 3,-0.1 -29,-0.1 21,-0.1 -0.944 52.8 -96.8-146.9 164.5 20.7 50.3 -7.2 233 233 A P S S- 0 0 5 0, 0.0 -33,-0.0 0, 0.0 4,-0.0 -0.267 74.6 -57.1 -73.1 172.3 22.1 49.2 -3.8 234 234 A P - 0 0 8 0, 0.0 3,-0.2 0, 0.0 -42,-0.0 -0.216 40.9-159.3 -54.6 135.2 19.9 50.0 -0.8 235 235 A S S S+ 0 0 117 1,-0.3 2,-0.5 -3,-0.1 0, 0.0 0.826 90.3 36.3 -81.5 -34.4 19.2 53.7 -0.4 236 236 A D > - 0 0 82 1,-0.1 4,-2.3 2,-0.0 -1,-0.3 -0.902 68.0-171.0-123.0 99.4 18.4 53.2 3.3 237 237 A G H > S+ 0 0 1 -2,-0.5 4,-2.2 -3,-0.2 5,-0.2 0.858 87.1 53.4 -57.5 -38.2 20.7 50.6 4.9 238 238 A E H > S+ 0 0 85 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.936 110.1 45.0 -63.3 -49.8 18.6 50.6 8.1 239 239 A Q H >>S+ 0 0 93 1,-0.2 4,-1.9 2,-0.2 5,-1.7 0.889 112.0 54.4 -62.8 -38.0 15.3 49.9 6.4 240 240 A F H <>S+ 0 0 4 -4,-2.3 5,-2.4 1,-0.2 -1,-0.2 0.904 110.8 45.0 -62.0 -41.7 17.0 47.2 4.3 241 241 A L H <5S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.744 109.2 57.5 -73.5 -25.4 18.3 45.5 7.5 242 242 A M H <5S- 0 0 83 -4,-1.7 -2,-0.2 58,-0.2 -1,-0.2 0.879 140.9 -40.1 -73.4 -40.5 14.9 45.8 9.2 243 243 A N T ><5S+ 0 0 80 -4,-1.9 3,-1.6 -5,-0.1 4,-0.3 0.428 114.5 92.0-164.2 -13.5 13.0 44.0 6.5 244 244 A G G > S- 0 0 52 -3,-1.7 4,-2.5 -4,-0.3 5,-0.2 -0.295 92.8-106.2 -84.5 168.7 12.5 40.4 -0.4 248 248 A M H > S+ 0 0 78 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.846 123.1 52.7 -60.9 -33.9 13.7 39.0 -3.7 249 249 A Y H > S+ 0 0 38 -28,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.935 108.0 50.0 -66.0 -48.2 15.6 42.1 -4.2 250 250 A G H > S+ 0 0 0 -6,-0.6 4,-3.1 1,-0.2 5,-0.3 0.919 109.1 51.4 -57.4 -46.5 17.3 41.9 -0.8 251 251 A K H X S+ 0 0 111 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.915 113.3 45.2 -58.1 -44.6 18.3 38.3 -1.5 252 252 A D H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.941 112.9 49.8 -66.5 -46.7 19.9 39.2 -4.8 253 253 A Y H X S+ 0 0 0 -4,-3.2 4,-3.1 1,-0.2 -2,-0.2 0.957 114.6 44.2 -57.1 -50.1 21.6 42.3 -3.4 254 254 A L H X S+ 0 0 5 -4,-3.1 4,-2.8 1,-0.2 5,-0.4 0.866 111.2 54.8 -64.2 -33.7 23.1 40.2 -0.5 255 255 A E H X S+ 0 0 100 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.947 113.8 40.8 -63.1 -47.7 24.0 37.4 -2.9 256 256 A W H X S+ 0 0 11 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.943 115.2 52.2 -62.5 -49.7 26.0 39.8 -5.1 257 257 A Y H X S+ 0 0 2 -4,-3.1 4,-0.7 -5,-0.2 3,-0.3 0.915 116.8 36.7 -54.9 -52.5 27.4 41.6 -2.1 258 258 A Q H >X S+ 0 0 8 -4,-2.8 4,-1.7 1,-0.2 3,-0.6 0.849 110.1 67.4 -69.6 -32.9 28.7 38.5 -0.4 259 259 A G H 3X S+ 0 0 10 -4,-2.1 4,-2.9 -5,-0.4 5,-0.3 0.870 90.9 60.0 -53.8 -41.5 29.6 37.1 -3.8 260 260 A I H 3X S+ 0 0 18 -4,-1.9 4,-2.0 -3,-0.3 -1,-0.2 0.908 106.8 47.1 -55.4 -41.9 32.3 39.8 -4.3 261 261 A L H S+ 0 0 1 -4,-2.3 4,-3.0 -5,-0.1 5,-1.4 0.708 95.5 84.4-116.2 -24.8 54.0 29.4 -3.2 277 277 A D T <5S+ 0 0 58 -4,-2.0 4,-0.2 -5,-0.4 -3,-0.1 0.866 100.7 35.2 -50.2 -49.2 53.0 25.8 -3.8 278 278 A T T 45S+ 0 0 122 -5,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.903 124.1 43.7 -74.9 -39.7 56.1 24.6 -5.6 279 279 A T T 45S+ 0 0 33 -4,-0.2 -2,-0.2 1,-0.1 -1,-0.1 0.947 133.6 9.2 -70.4 -53.3 58.5 26.8 -3.6 280 280 A F T <5S- 0 0 6 -4,-3.0 -3,-0.2 2,-0.1 -2,-0.1 0.789 73.1-154.6-101.5 -34.9 57.3 26.4 0.0 281 281 A Q < + 0 0 152 -5,-1.4 -4,-0.1 1,-0.2 -3,-0.1 0.898 47.2 135.8 58.8 42.5 54.6 23.6 -0.0 282 282 A V - 0 0 21 -6,-0.2 -1,-0.2 1,-0.1 -120,-0.2 -0.869 61.8 -89.5-121.2 155.5 52.9 25.0 3.1 283 283 A P - 0 0 66 0, 0.0 -120,-2.1 0, 0.0 2,-0.4 -0.196 38.2-150.1 -57.8 150.8 49.2 25.5 3.9 284 284 A I E +f 163 0A 2 40,-0.4 42,-2.8 -122,-0.2 2,-0.3 -0.972 20.7 171.5-124.9 141.4 47.7 28.9 3.0 285 285 A G E -fh 164 326A 0 -122,-1.7 -120,-2.5 -2,-0.4 2,-0.3 -0.937 19.2-155.0-146.2 169.7 44.9 30.5 4.8 286 286 A A E - h 0 327A 2 40,-2.0 42,-1.5 -2,-0.3 2,-0.4 -0.864 24.4-110.7-137.8 170.9 42.8 33.7 5.2 287 287 A K E -gh 172 328A 20 -116,-0.5 -114,-3.4 -122,-0.4 2,-0.5 -0.877 12.4-160.1-116.1 143.1 40.8 35.2 8.0 288 288 A I - 0 0 1 40,-2.5 42,-0.3 -2,-0.4 -114,-0.1 -0.950 30.1-122.0-113.1 133.4 37.1 35.8 8.6 289 289 A A - 0 0 0 -2,-0.5 2,-1.0 -116,-0.4 -119,-0.0 -0.338 11.2-126.1 -74.9 156.7 36.2 38.4 11.1 290 290 A G + 0 0 9 39,-0.1 2,-1.7 -2,-0.1 3,-0.1 -0.753 30.1 177.8-103.0 83.4 34.1 37.8 14.2 291 291 A V + 0 0 0 -2,-1.0 14,-0.2 1,-0.2 13,-0.2 -0.612 15.4 158.0 -87.8 79.3 31.4 40.4 13.8 292 292 A H > + 0 0 15 -2,-1.7 53,-2.0 12,-0.1 3,-0.8 0.542 34.7 95.5 -84.0 -10.9 29.5 39.3 16.9 293 293 A W T 3 S+ 0 0 15 51,-0.2 11,-0.5 1,-0.2 12,-0.3 -0.554 86.7 18.0 -87.6 152.1 27.5 42.5 17.7 294 294 A Q T > S+ 0 0 13 48,-3.6 9,-1.4 -2,-0.2 8,-0.9 0.649 83.8 135.5 67.3 16.5 23.9 43.1 16.7 295 295 A Y T < S+ 0 0 37 48,-1.7 7,-1.2 -3,-0.8 49,-0.1 0.946 79.1 22.1 -58.5 -52.9 23.7 39.4 16.1 296 296 A N T 3 S+ 0 0 62 47,-0.9 -1,-0.2 5,-0.2 47,-0.1 -0.077 82.0 144.4-109.2 32.0 20.3 39.0 17.8 297 297 A N < - 0 0 21 -3,-0.9 6,-0.1 3,-0.3 42,-0.0 -0.610 42.3-150.4 -70.0 118.1 19.1 42.5 17.5 298 298 A P S S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.847 92.1 47.5 -60.8 -33.2 15.3 42.0 16.9 299 299 A T S S+ 0 0 80 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.920 130.2 16.4 -75.8 -46.5 15.0 45.2 14.8 300 300 A I S > S- 0 0 9 -57,-0.0 3,-1.4 -6,-0.0 -3,-0.3 -0.587 85.8-152.4-128.0 70.7 18.0 44.8 12.5 301 301 A P T 3 S+ 0 0 25 0, 0.0 -6,-0.2 0, 0.0 -5,-0.2 -0.099 81.5 1.1 -45.9 131.9 19.0 41.0 12.8 302 302 A H T 3> S+ 0 0 56 -7,-1.2 4,-1.9 -8,-0.9 -7,-0.2 0.872 85.5 166.8 52.5 40.7 22.7 40.5 12.1 303 303 A G T <4 S+ 0 0 0 -9,-1.4 -113,-2.5 -3,-1.4 -9,-0.1 0.599 71.6 36.6 -62.3 -15.7 22.9 44.3 11.7 304 304 A A T > S+ 0 0 1 -11,-0.5 4,-0.9 -115,-0.3 -1,-0.2 0.732 114.3 53.5-106.5 -33.0 26.7 44.3 11.8 305 305 A E H >>S+ 0 0 2 -12,-0.3 5,-2.4 -14,-0.2 4,-0.9 0.947 103.8 53.0 -67.1 -53.0 27.5 41.1 9.9 306 306 A K H ><5S+ 0 0 13 -4,-1.9 3,-0.9 1,-0.3 -1,-0.2 0.893 109.6 47.5 -53.0 -47.4 25.5 41.6 6.7 307 307 A P H 345S+ 0 0 0 0, 0.0 -114,-0.4 0, 0.0 -1,-0.3 0.824 108.6 57.1 -65.7 -28.2 27.1 45.1 6.0 308 308 A A H 3<5S- 0 0 0 -4,-0.9 -133,-2.2 -3,-0.4 -2,-0.2 0.702 129.0-102.3 -72.4 -18.7 30.5 43.4 6.7 309 309 A G T <<5S+ 0 0 1 -3,-0.9 2,-0.9 -4,-0.9 3,-0.3 0.440 84.0 124.3 112.6 3.6 29.6 41.0 3.9 310 310 A Y < + 0 0 3 -5,-2.4 3,-0.2 1,-0.2 -1,-0.1 -0.776 14.5 130.3-101.9 95.1 28.5 37.9 6.0 311 311 A N S S+ 0 0 69 -2,-0.9 2,-0.4 1,-0.2 -1,-0.2 0.752 80.1 22.4-108.5 -37.5 25.0 36.8 5.1 312 312 A D > - 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