==== 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 1VEN . 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) . 20978.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 68.8 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 . 3 0.6 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 . 32 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 27.3 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 2 1 1 0 1 0 1 1 1 2 0 2 0 0 1 0 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, 0.0 387,-0.1 0.000 360.0 360.0 360.0-178.1 35.0 16.9 22.1 2 2 A V G > + 0 0 38 385,-1.7 3,-0.9 1,-0.2 452,-0.1 -0.377 360.0 23.3 -68.0 144.3 31.9 17.2 19.9 3 3 A N G 3 S- 0 0 123 450,-0.5 -1,-0.2 1,-0.2 451,-0.1 0.801 130.8 -69.6 71.1 30.2 30.7 13.9 18.2 4 4 A G G < S+ 0 0 18 -3,-0.8 453,-1.7 449,-0.5 -1,-0.2 0.553 104.6 124.4 66.7 8.5 32.5 11.7 20.7 5 5 A K < - 0 0 128 -3,-0.9 -1,-0.2 451,-0.2 2,-0.1 -0.311 52.4-132.0 -91.8 176.8 35.9 12.7 19.4 6 6 A G - 0 0 17 1,-0.3 383,-0.2 -3,-0.1 -1,-0.1 -0.264 45.3 -50.5-111.8-159.1 38.9 14.2 21.2 7 7 A M - 0 0 4 465,-0.6 -1,-0.3 438,-0.4 465,-0.2 -0.304 68.9 -86.5 -74.5 163.1 41.2 17.2 20.5 8 8 A N > - 0 0 20 382,-0.4 3,-2.2 377,-0.3 -1,-0.1 -0.587 30.4-145.2 -73.6 120.0 42.9 17.6 17.1 9 9 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.2 0, 0.0 412,-0.1 0.645 98.6 56.7 -59.2 -16.3 46.1 15.7 17.1 10 10 A D T 3 S+ 0 0 101 380,-0.1 381,-0.1 408,-0.1 -2,-0.1 0.373 76.9 143.2 -97.4 4.0 47.7 18.4 14.9 11 11 A Y < + 0 0 4 -3,-2.2 2,-0.3 379,-0.1 381,-0.2 -0.126 21.4 171.6 -48.9 133.5 47.0 21.2 17.4 12 12 A K E -a 392 0A 70 379,-0.9 381,-1.8 406,-0.1 2,-0.4 -0.990 25.0-134.1-145.2 147.1 49.7 23.8 17.6 13 13 A A E -ab 393 43A 2 29,-0.6 31,-3.3 -2,-0.3 32,-0.9 -0.856 19.9-166.5-106.3 140.6 49.9 27.2 19.3 14 14 A Y E -ab 394 45A 25 379,-3.3 381,-2.9 -2,-0.4 2,-0.5 -0.884 13.0-138.8-124.9 155.7 51.2 30.4 17.7 15 15 A L E -ab 395 46A 0 30,-2.3 32,-1.9 -2,-0.3 2,-0.4 -0.960 17.1-134.1-117.5 124.7 52.3 33.8 19.0 16 16 A M E - b 0 47A 3 379,-2.8 382,-3.4 -2,-0.5 381,-0.4 -0.646 23.5-134.7 -79.9 128.1 51.4 37.0 17.2 17 17 A A - 0 0 1 30,-2.6 380,-0.1 -2,-0.4 32,-0.1 -0.158 34.2 -80.1 -71.9 170.5 54.3 39.4 16.9 18 18 A P - 0 0 8 0, 0.0 31,-0.3 0, 0.0 -1,-0.2 -0.211 32.0-122.9 -68.2 166.2 54.0 43.2 17.6 19 19 A L S S+ 0 0 19 -3,-0.1 2,-0.1 2,-0.1 3,-0.1 0.882 96.0 68.2 -76.6 -38.8 52.5 45.6 15.0 20 20 A K S S- 0 0 83 1,-0.1 5,-0.1 78,-0.1 79,-0.1 -0.456 103.7 -90.7 -78.4 153.3 55.7 47.7 15.0 21 21 A K > - 0 0 60 -2,-0.1 3,-2.0 1,-0.1 4,-0.2 -0.274 38.0-111.9 -62.1 150.0 58.9 46.2 13.6 22 22 A I G >> S+ 0 0 2 1,-0.3 4,-2.7 2,-0.2 3,-2.5 0.878 116.0 59.2 -52.1 -45.0 61.1 44.4 16.1 23 23 A P G 34 S+ 0 0 73 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.659 102.0 56.3 -61.3 -13.2 63.9 47.1 16.0 24 24 A E G <4 S+ 0 0 128 -3,-2.0 -2,-0.2 3,-0.0 3,-0.1 0.388 117.5 34.1 -96.3 1.1 61.3 49.6 17.1 25 25 A V T <4 S- 0 0 60 -3,-2.5 2,-0.2 1,-0.5 -3,-0.1 0.700 130.2 -31.9-117.6 -55.8 60.5 47.5 20.2 26 26 A T S < S- 0 0 36 -4,-2.7 -1,-0.5 0, 0.0 2,-0.2 -0.760 74.2 -74.0-150.5-166.7 63.8 45.8 21.3 27 27 A N > - 0 0 80 -2,-0.2 4,-1.8 -3,-0.1 5,-0.1 -0.563 41.8-108.8 -98.0 168.5 67.0 44.5 19.7 28 28 A W H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.822 114.1 56.6 -66.0 -33.2 67.4 41.3 17.7 29 29 A E H > S+ 0 0 131 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.948 110.0 43.3 -64.1 -49.7 69.3 39.4 20.4 30 30 A T H > S+ 0 0 50 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.874 112.4 56.3 -62.2 -36.6 66.6 39.9 23.1 31 31 A F H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.929 105.5 50.0 -61.0 -45.7 64.1 39.0 20.4 32 32 A E H X S+ 0 0 27 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.894 112.4 47.0 -61.2 -38.9 65.9 35.7 19.7 33 33 A N H X S+ 0 0 75 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.843 107.8 56.7 -71.3 -32.7 65.9 34.9 23.5 34 34 A D H X S+ 0 0 23 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.875 107.8 49.2 -64.3 -36.2 62.2 35.9 23.7 35 35 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.896 108.3 51.0 -70.7 -40.6 61.5 33.3 21.0 36 36 A R H X S+ 0 0 102 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.890 111.6 49.3 -63.7 -37.0 63.4 30.6 22.8 37 37 A W H X S+ 0 0 90 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.914 110.0 51.2 -66.2 -42.6 61.4 31.4 25.9 38 38 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.0 1,-0.2 3,-0.6 0.900 108.0 52.0 -61.5 -41.6 58.2 31.2 23.9 39 39 A K H ><5S+ 0 0 111 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.891 103.9 57.5 -63.2 -38.9 59.2 27.8 22.5 40 40 A Q H 3<5S+ 0 0 135 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.763 105.0 53.9 -62.0 -25.5 59.8 26.6 26.0 41 41 A N T <<5S- 0 0 8 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.187 129.8 -88.5 -97.1 17.0 56.2 27.5 26.8 42 42 A G T < 5S+ 0 0 28 -3,-1.7 -29,-0.6 1,-0.3 2,-0.4 0.453 77.5 141.0 96.8 0.2 54.5 25.6 24.0 43 43 A F E < -b 13 0A 3 -5,-2.0 -1,-0.3 1,-0.2 -29,-0.2 -0.668 29.6-170.3 -82.3 129.2 54.6 28.0 21.1 44 44 A Y E - 0 0 86 -31,-3.3 37,-0.7 -2,-0.4 2,-0.3 0.825 64.9 -5.6 -85.1 -37.0 55.3 26.4 17.7 45 45 A A E -bc 14 81A 0 -32,-0.9 -30,-2.3 35,-0.2 2,-0.5 -0.983 59.4-119.7-155.4 164.4 55.8 29.5 15.7 46 46 A I E -bc 15 82A 0 35,-2.2 37,-2.1 -2,-0.3 2,-0.4 -0.939 25.2-151.5-110.5 126.5 55.5 33.3 15.6 47 47 A T E -bc 16 83A 5 -32,-1.9 -30,-2.6 -2,-0.5 2,-0.3 -0.809 20.5-175.6 -97.7 141.4 53.1 34.8 13.0 48 48 A V E - c 0 84A 5 35,-2.0 37,-2.9 -2,-0.4 2,-0.4 -0.996 26.8-120.3-145.1 144.0 54.0 38.3 11.7 49 49 A D E - c 0 85A 18 -31,-0.3 2,-0.7 -2,-0.3 37,-0.2 -0.666 17.8-167.1 -81.3 128.1 52.6 41.0 9.5 50 50 A F E - c 0 86A 5 35,-2.5 37,-1.1 -2,-0.4 2,-0.2 -0.953 25.3-138.0-114.9 104.7 54.8 42.0 6.5 51 51 A W E >> - c 0 87A 15 -2,-0.7 4,-2.0 1,-0.1 3,-1.6 -0.440 12.3-147.3 -70.7 131.5 53.2 45.2 5.3 52 52 A W H 3> S+ 0 0 0 35,-2.4 4,-1.8 37,-0.3 -1,-0.1 0.881 102.1 65.2 -62.0 -36.0 52.7 45.9 1.6 53 53 A G H 34 S+ 0 0 4 34,-0.4 -1,-0.3 36,-0.3 52,-0.1 0.672 109.2 39.1 -60.5 -17.1 53.3 49.6 2.5 54 54 A D H X4 S+ 0 0 40 -3,-1.6 3,-0.6 47,-0.1 -2,-0.2 0.785 114.2 50.2 -99.8 -38.2 56.9 48.5 3.5 55 55 A M H 3< S+ 0 0 7 -4,-2.0 9,-1.7 1,-0.2 -2,-0.2 0.640 126.8 19.4 -79.6 -16.0 57.7 46.0 0.8 56 56 A E T 3< S+ 0 0 0 -4,-1.8 -1,-0.2 7,-0.2 7,-0.2 -0.218 82.9 133.7-147.9 47.9 56.8 48.0 -2.3 57 57 A K < + 0 0 126 -3,-0.6 49,-0.3 1,-0.1 48,-0.2 0.933 64.2 49.8 -67.6 -55.3 56.8 51.6 -1.0 58 58 A N S S- 0 0 124 4,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.898 120.3 -51.0 -57.2 -47.3 58.7 53.6 -3.6 59 59 A G S > S- 0 0 7 3,-0.5 3,-2.4 46,-0.0 -1,-0.2 -0.988 78.9 -37.3-176.9 176.9 56.8 52.4 -6.7 60 60 A D T 3 S+ 0 0 60 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.285 125.8 0.5 -55.2 126.2 55.6 49.6 -8.8 61 61 A Q T 3 S+ 0 0 87 1,-0.2 2,-1.1 -5,-0.1 -1,-0.3 0.581 94.6 124.5 68.8 12.0 58.1 46.7 -8.7 62 62 A Q < - 0 0 107 -3,-2.4 -3,-0.5 -6,-0.1 -4,-0.4 -0.754 46.8-176.9-101.2 82.8 60.5 48.6 -6.4 63 63 A F - 0 0 60 -2,-1.1 2,-0.3 -7,-0.2 -7,-0.2 -0.407 26.0-173.2 -86.4 158.0 60.6 46.0 -3.7 64 64 A D + 0 0 87 -9,-1.7 4,-0.2 -2,-0.1 3,-0.1 -0.823 16.9 158.4-150.9 102.9 62.4 45.8 -0.4 65 65 A F > + 0 0 21 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 0.169 43.2 110.3-110.9 14.6 62.3 42.5 1.5 66 66 A S H > S+ 0 0 62 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.888 78.9 48.4 -58.7 -42.6 65.3 43.2 3.7 67 67 A Y H > S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.949 111.4 49.6 -63.9 -46.8 63.3 43.6 6.9 68 68 A A H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.858 113.1 48.5 -59.7 -34.4 61.4 40.3 6.2 69 69 A Q H X S+ 0 0 70 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.907 110.6 48.7 -73.0 -41.9 64.7 38.6 5.6 70 70 A R H X S+ 0 0 97 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.884 111.9 50.5 -65.6 -37.2 66.4 39.9 8.8 71 71 A F H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.949 111.4 47.6 -63.8 -48.7 63.3 38.8 10.8 72 72 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.878 106.5 58.4 -60.5 -39.5 63.4 35.4 9.3 73 73 A Q H X S+ 0 0 64 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.913 108.8 45.2 -57.4 -43.7 67.2 35.1 9.9 74 74 A S H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.840 107.9 55.9 -70.6 -34.7 66.6 35.7 13.7 75 75 A V H <>S+ 0 0 0 -4,-1.9 5,-2.5 2,-0.2 4,-0.5 0.898 109.7 48.9 -62.8 -38.0 63.7 33.2 13.8 76 76 A K H ><5S+ 0 0 73 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.948 106.6 54.1 -64.8 -49.4 66.1 30.7 12.4 77 77 A N H 3<5S+ 0 0 75 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.818 109.7 49.1 -55.0 -32.5 68.8 31.5 14.9 78 78 A A T 3<5S- 0 0 9 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.557 113.0-120.7 -85.0 -8.5 66.3 30.9 17.7 79 79 A G T < 5 + 0 0 41 -3,-1.9 -3,-0.2 -4,-0.5 2,-0.2 0.830 69.9 127.8 72.2 32.1 65.3 27.6 16.2 80 80 A M < - 0 0 6 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.2 -0.504 54.6-122.6-109.5 179.9 61.7 28.6 15.8 81 81 A K E -c 45 0A 66 -37,-0.7 -35,-2.2 -2,-0.2 2,-0.3 -0.842 21.7-150.7-121.2 158.9 59.2 28.7 12.9 82 82 A M E -cd 46 160A 0 77,-3.2 79,-2.1 -2,-0.3 80,-0.8 -0.940 11.7-153.6-133.4 156.4 57.3 31.6 11.5 83 83 A I E -c 47 0A 4 -37,-2.1 -35,-2.0 -2,-0.3 2,-0.2 -0.908 21.8-152.9-128.3 98.2 54.0 32.3 9.7 84 84 A P E -c 48 0A 0 0, 0.0 80,-2.9 0, 0.0 2,-0.6 -0.505 2.7-152.4 -75.9 142.7 54.2 35.4 7.6 85 85 A I E -ce 49 164A 3 -37,-2.9 -35,-2.5 78,-0.2 2,-1.8 -0.973 12.0-143.4-110.8 118.4 51.0 37.3 6.9 86 86 A I E -ce 50 165A 0 78,-2.6 2,-1.3 -2,-0.6 80,-0.9 -0.651 24.0-160.8 -83.8 86.5 51.3 39.1 3.5 87 87 A S E +c 51 0A 0 -2,-1.8 -35,-2.4 -37,-1.1 -34,-0.4 -0.572 24.8 170.2 -78.1 93.1 49.4 42.1 4.8 88 88 A T + 0 0 0 -2,-1.3 42,-0.5 -37,-0.2 2,-0.3 -0.076 57.5 83.8 -90.8 31.9 48.2 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 -0.832 88.8 -84.5-127.8 168.4 46.0 46.2 4.0 90 90 A Q - 0 0 46 38,-2.3 2,-0.6 -2,-0.3 80,-0.4 -0.497 29.3-143.3 -78.6 140.8 46.7 49.3 6.1 91 91 A a B +K 101 0B 0 10,-1.8 10,-2.6 -2,-0.2 2,-0.1 -0.908 69.7 41.9-101.3 124.4 48.2 49.2 9.6 92 92 A G S S+ 0 0 6 -2,-0.6 8,-0.1 8,-0.2 3,-0.1 0.089 81.5 63.5 113.4 134.6 46.7 51.9 11.8 93 93 A G S S+ 0 0 72 1,-0.5 87,-0.3 4,-0.2 2,-0.2 0.175 82.6 99.1 106.5 -17.5 43.2 53.2 12.3 94 94 A N S > S- 0 0 25 1,-0.1 3,-2.1 85,-0.1 -1,-0.5 -0.558 90.5 -72.3 -98.9 166.1 41.8 49.9 13.6 95 95 A V T 3 S+ 0 0 136 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.388 121.0 8.1 -60.9 121.2 41.1 48.8 17.1 96 96 A G T 3 S+ 0 0 67 1,-0.3 2,-0.3 -2,-0.2 -1,-0.3 0.357 90.6 148.0 89.8 -5.4 44.4 48.1 18.9 97 97 A D < + 0 0 48 -3,-2.1 -1,-0.3 1,-0.1 -4,-0.2 -0.486 20.4 173.1 -70.5 125.7 46.5 49.5 16.0 98 98 A D + 0 0 98 -2,-0.3 2,-0.3 -3,-0.1 -78,-0.1 -0.618 56.2 66.8-130.5 65.8 49.7 51.1 17.1 99 99 A a - 0 0 31 -2,-0.1 -6,-0.2 -79,-0.1 2,-0.1 -0.944 64.3-139.5-167.9 176.3 51.3 51.7 13.7 100 100 A N + 0 0 129 -2,-0.3 -8,-0.2 -8,-0.1 -10,-0.0 -0.619 40.8 140.8-155.1 84.3 50.9 53.7 10.6 101 101 A V B -K 91 0B 24 -10,-2.6 -10,-1.8 -2,-0.1 -48,-0.3 -0.733 24.5-175.4-132.4 84.7 51.6 51.8 7.4 102 102 A P - 0 0 60 0, 0.0 3,-0.1 0, 0.0 26,-0.1 -0.271 39.0 -91.7 -71.9 165.8 49.2 52.6 4.6 103 103 A I - 0 0 4 24,-0.3 -50,-0.1 1,-0.2 -13,-0.1 -0.442 69.2 -61.7 -74.8 156.6 49.4 50.6 1.3 104 104 A P > - 0 0 5 0, 0.0 3,-1.0 0, 0.0 4,-0.4 -0.055 45.2-140.6 -40.1 127.5 51.7 52.2 -1.3 105 105 A S G > S+ 0 0 94 1,-0.2 3,-0.7 -48,-0.2 4,-0.2 0.736 96.1 65.6 -67.3 -22.3 50.3 55.6 -2.3 106 106 A W G > S+ 0 0 36 -49,-0.3 3,-1.4 1,-0.2 -1,-0.2 0.735 84.1 72.6 -73.0 -22.7 51.1 55.0 -6.0 107 107 A V G X S+ 0 0 0 -3,-1.0 3,-1.4 1,-0.3 -1,-0.2 0.846 89.3 62.6 -61.2 -31.1 48.6 52.2 -6.3 108 108 A W G X S+ 0 0 43 -3,-0.7 3,-0.6 -4,-0.4 -1,-0.3 0.693 95.0 60.3 -68.6 -18.4 45.8 54.7 -6.2 109 109 A N G < S+ 0 0 141 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.378 80.3 85.2 -91.2 5.7 47.0 56.4 -9.4 110 110 A Q G < S+ 0 0 71 -3,-1.4 2,-0.3 -4,-0.2 -1,-0.2 0.467 92.6 44.9 -85.4 1.0 46.5 53.3 -11.5 111 111 A K < - 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0 0 5 133,-2.4 2,-2.1 -2,-0.3 3,-0.3 -0.646 45.3-109.3 -95.7 155.2 34.1 45.1 3.8 176 176 A P + 0 0 1 0, 0.0 3,-0.1 0, 0.0 132,-0.1 -0.407 65.8 143.5 -84.3 65.3 35.2 48.0 6.0 177 177 A S + 0 0 0 -2,-2.1 14,-1.2 1,-0.2 2,-0.5 0.570 56.5 57.1 -81.4 -13.3 31.7 48.4 7.4 178 178 A Y + 0 0 38 -3,-0.3 2,-0.3 12,-0.2 -1,-0.2 -0.869 69.6 133.1-125.3 100.4 32.7 49.3 11.0 179 179 A T > - 0 0 18 -2,-0.5 5,-2.5 6,-0.1 6,-0.5 -0.965 57.9-121.2-141.5 157.4 34.9 52.4 11.3 180 180 A T T > 5S+ 0 0 128 -87,-0.3 3,-1.4 -2,-0.3 5,-0.2 0.928 109.9 51.6 -64.1 -49.5 35.0 55.5 13.4 181 181 A S T 3 5S+ 0 0 97 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.750 109.8 49.7 -62.9 -24.9 34.9 58.0 10.6 182 182 A D T 3 5S- 0 0 4 -3,-0.2 -1,-0.3 -58,-0.1 -2,-0.2 0.472 112.4-119.4 -92.8 -2.1 31.8 56.3 9.1 183 183 A G T < 5S+ 0 0 56 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.818 85.8 109.8 69.5 30.9 30.1 56.4 12.4 184 184 A T < + 0 0 2 -5,-2.5 -4,-0.2 4,-0.1 -3,-0.1 0.070 37.5 139.4-124.8 23.8 29.8 52.6 12.5 185 185 A G > - 0 0 24 -6,-0.5 3,-2.5 -5,-0.2 -6,-0.1 -0.236 60.2 -31.9 -65.8 158.8 32.2 51.6 15.2 186 186 A Y T 3 S+ 0 0 119 1,-0.3 -1,-0.2 -8,-0.1 3,-0.1 -0.212 128.4 14.9 -50.9 138.7 31.3 48.9 17.7 187 187 A P T 3 S+ 0 0 36 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.824 101.6 101.0-103.7 30.0 28.6 48.2 18.7 188 188 A S S < S- 0 0 55 -3,-2.5 -4,-0.1 1,-0.1 105,-0.1 -0.181 81.3 -91.8 -69.0 162.9 26.7 50.2 16.0 189 189 A R - 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0 0 43 -5,-1.2 -1,-0.2 -6,-0.3 -2,-0.0 -0.380 59.5-139.1-102.0-178.4 9.0 46.1 -8.7 224 224 A K + 0 0 184 -2,-0.1 -9,-0.1 -3,-0.1 2,-0.0 -0.288 30.8 175.3-138.2 48.2 8.2 48.8 -11.2 225 225 A L - 0 0 33 -11,-0.2 -7,-0.1 1,-0.1 3,-0.1 -0.330 24.4-149.4 -59.1 134.6 11.6 50.3 -12.0 226 226 A I S S- 0 0 160 1,-0.2 2,-0.3 -2,-0.0 -1,-0.1 0.738 72.6 -3.7 -80.4 -24.7 11.3 53.0 -14.7 227 227 A S S > S- 0 0 34 1,-0.1 3,-2.7 -13,-0.1 4,-0.2 -0.987 76.3 -95.1-162.8 162.0 14.8 52.3 -16.2 228 228 A E G > S+ 0 0 89 -2,-0.3 3,-1.8 1,-0.3 -20,-0.1 0.784 117.5 67.2 -50.9 -31.4 18.0 50.3 -15.7 229 229 A L G 3 S+ 0 0 111 1,-0.3 -1,-0.3 -3,-0.0 -25,-0.0 0.711 86.9 69.5 -65.6 -18.1 19.5 53.3 -13.8 230 230 A A G < S+ 0 0 44 -3,-2.7 2,-0.9 2,-0.1 -1,-0.3 0.587 72.8 99.8 -75.5 -10.7 16.9 52.6 -11.1 231 231 A I < + 0 0 0 -3,-1.8 -27,-0.2 -4,-0.2 -28,-0.0 -0.709 57.7 144.1 -78.8 110.4 18.8 49.3 -10.2 232 232 A L - 0 0 67 -2,-0.9 3,-0.1 -29,-0.1 -37,-0.1 -0.916 54.3 -92.0-145.1 167.6 20.8 50.4 -7.2 233 233 A P S S- 0 0 5 0, 0.0 -1,-0.0 0, 0.0 4,-0.0 -0.288 75.4 -59.5 -72.4 170.4 22.2 49.3 -3.8 234 234 A P - 0 0 7 0, 0.0 3,-0.2 0, 0.0 -42,-0.1 -0.233 40.9-155.2 -55.2 136.7 19.9 50.0 -0.8 235 235 A S S S+ 0 0 120 1,-0.3 2,-0.5 -3,-0.1 0, 0.0 0.783 90.4 36.1 -81.2 -29.7 19.1 53.7 -0.4 236 236 A D > - 0 0 82 1,-0.1 4,-2.2 2,-0.0 -1,-0.3 -0.926 67.8-169.2-127.5 102.5 18.5 53.2 3.3 237 237 A G H > S+ 0 0 0 -2,-0.5 4,-2.3 -3,-0.2 5,-0.1 0.876 88.3 51.5 -59.2 -39.7 20.7 50.6 5.0 238 238 A E H > S+ 0 0 94 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.907 110.3 46.3 -65.4 -45.2 18.7 50.6 8.2 239 239 A Q H >>S+ 0 0 94 1,-0.2 4,-1.9 2,-0.2 5,-1.6 0.876 112.3 53.5 -65.7 -35.6 15.3 50.0 6.4 240 240 A F H <>S+ 0 0 3 -4,-2.2 5,-2.3 1,-0.2 -2,-0.2 0.926 110.1 46.2 -63.1 -44.4 17.1 47.3 4.3 241 241 A L H <5S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.713 109.6 56.5 -71.9 -21.1 18.3 45.6 7.5 242 242 A M H <5S- 0 0 80 -4,-1.4 -2,-0.2 58,-0.2 -1,-0.2 0.908 140.8 -37.3 -77.0 -44.9 14.8 45.8 9.2 243 243 A N T ><5S+ 0 0 83 -4,-1.9 3,-1.3 -5,-0.1 4,-0.4 0.430 115.1 90.8-158.8 -10.0 12.9 44.0 6.4 244 244 A G G > S- 0 0 52 -3,-1.4 4,-2.4 -4,-0.4 5,-0.2 -0.226 92.7-107.8 -78.3 168.7 12.5 40.5 -0.4 248 248 A M H > S+ 0 0 82 2,-0.2 4,-2.2 -27,-0.2 5,-0.2 0.852 123.1 53.7 -63.6 -34.6 13.7 39.0 -3.7 249 249 A Y H > S+ 0 0 38 -28,-0.3 4,-3.3 2,-0.2 5,-0.2 0.963 107.4 51.6 -62.1 -50.8 15.7 42.2 -4.3 250 250 A G H > S+ 0 0 0 -6,-0.6 4,-2.7 1,-0.2 5,-0.3 0.906 109.1 49.2 -52.0 -48.3 17.2 41.8 -0.9 251 251 A K H X S+ 0 0 112 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.912 113.5 46.5 -61.0 -42.7 18.3 38.2 -1.6 252 252 A D H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.936 112.8 49.5 -65.9 -45.7 19.8 39.2 -4.9 253 253 A Y H X S+ 0 0 0 -4,-3.3 4,-2.9 1,-0.2 -2,-0.2 0.947 113.6 44.6 -58.7 -50.9 21.6 42.2 -3.5 254 254 A L H X S+ 0 0 5 -4,-2.7 4,-2.5 -5,-0.2 5,-0.3 0.826 111.1 55.5 -63.9 -30.5 23.1 40.3 -0.6 255 255 A E H X S+ 0 0 103 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.938 112.5 41.5 -66.9 -45.4 24.1 37.4 -2.9 256 256 A W H X S+ 0 0 11 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.946 114.5 52.5 -64.5 -49.1 26.0 39.8 -5.1 257 257 A Y H >X S+ 0 0 2 -4,-2.9 4,-0.6 1,-0.2 3,-0.5 0.929 116.3 37.1 -52.8 -55.6 27.5 41.7 -2.2 258 258 A Q H >X S+ 0 0 8 -4,-2.5 4,-1.8 1,-0.2 3,-0.9 0.835 109.3 67.3 -68.3 -31.5 28.9 38.5 -0.4 259 259 A G H 3X S+ 0 0 11 -4,-1.8 4,-2.6 -5,-0.3 5,-0.3 0.845 90.5 61.7 -56.6 -36.5 29.7 37.1 -3.9 260 260 A I H S+ 0 0 1 -4,-2.4 4,-3.3 -5,-0.1 5,-1.2 0.768 96.2 82.8-110.2 -31.3 54.2 29.4 -3.2 277 277 A D T <5S+ 0 0 59 -4,-1.7 4,-0.1 -5,-0.4 -3,-0.1 0.825 100.8 36.9 -46.3 -46.2 53.2 25.7 -3.7 278 278 A T T 45S+ 0 0 120 -5,-0.3 -1,-0.2 -4,-0.3 -2,-0.1 0.923 123.9 41.2 -76.6 -41.5 56.3 24.6 -5.6 279 279 A T T 45S+ 0 0 34 -4,-0.2 -2,-0.2 1,-0.1 -1,-0.1 0.912 133.8 13.2 -72.4 -46.2 58.8 26.7 -3.5 280 280 A F T <5S- 0 0 5 -4,-3.3 -3,-0.2 2,-0.1 -2,-0.1 0.798 72.3-156.8-103.6 -36.1 57.4 26.3 0.0 281 281 A Q < + 0 0 142 -5,-1.2 -4,-0.1 1,-0.2 -3,-0.1 0.913 47.9 133.4 57.4 44.7 54.9 23.5 -0.1 282 282 A V - 0 0 22 -6,-0.1 -1,-0.2 1,-0.1 -120,-0.2 -0.858 62.8 -90.1-123.3 158.0 53.1 24.8 3.1 283 283 A P - 0 0 68 0, 0.0 -120,-1.9 0, 0.0 2,-0.3 -0.243 38.7-151.3 -63.4 157.4 49.4 25.3 3.9 284 284 A I E +f 163 0A 2 40,-0.3 42,-2.7 -122,-0.2 2,-0.3 -0.977 19.2 168.4-131.7 144.3 47.9 28.7 3.0 285 285 A G E -fh 164 326A 0 -122,-1.8 -120,-2.7 -2,-0.3 2,-0.3 -0.936 20.7-152.5-149.6 173.1 45.0 30.5 4.7 286 286 A A E - h 0 327A 1 40,-2.0 42,-1.3 -2,-0.3 2,-0.4 -0.873 26.7-109.5-140.3 169.8 42.9 33.6 5.2 287 287 A K E -gh 172 328A 20 -116,-0.6 -114,-3.0 -122,-0.5 2,-0.4 -0.854 11.7-157.9-115.0 148.1 40.8 35.1 8.0 288 288 A I - 0 0 0 40,-2.7 42,-0.2 -2,-0.4 2,-0.1 -0.957 29.1-124.2-116.1 132.5 37.2 35.7 8.6 289 289 A A - 0 0 0 -2,-0.4 2,-1.1 -116,-0.3 19,-0.0 -0.402 11.3-125.6 -77.7 153.4 36.3 38.3 11.2 290 290 A G + 0 0 5 -2,-0.1 2,-1.6 39,-0.1 3,-0.2 -0.746 29.4 178.8 -99.3 85.6 34.1 37.7 14.2 291 291 A V + 0 0 0 -2,-1.1 14,-0.2 1,-0.2 13,-0.2 -0.644 15.5 158.6 -88.7 82.6 31.4 40.4 13.8 292 292 A H > + 0 0 16 -2,-1.6 53,-1.8 12,-0.1 3,-0.8 0.576 34.6 96.8 -84.0 -14.5 29.5 39.3 17.0 293 293 A W T 3 S+ 0 0 15 1,-0.2 11,-0.6 51,-0.2 12,-0.3 -0.486 86.4 17.0 -83.5 153.4 27.6 42.5 17.7 294 294 A Q T > S+ 0 0 13 48,-3.3 9,-1.5 -2,-0.2 3,-0.7 0.689 84.4 136.3 62.7 21.1 24.0 43.2 16.7 295 295 A Y T < S+ 0 0 37 48,-1.8 7,-1.3 -3,-0.8 49,-0.2 0.955 77.9 22.1 -62.1 -53.8 23.7 39.4 16.1 296 296 A N T 3 S+ 0 0 63 47,-0.9 -1,-0.2 5,-0.2 47,-0.1 -0.105 82.5 144.7-108.8 35.0 20.3 38.9 17.8 297 297 A N < - 0 0 20 -3,-0.7 6,-0.1 3,-0.3 42,-0.0 -0.626 41.2-151.3 -71.9 122.1 19.0 42.5 17.5 298 298 A P S S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.852 92.6 47.2 -65.0 -33.6 15.2 42.0 16.9 299 299 A T S S+ 0 0 82 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.927 131.0 15.7 -74.4 -47.0 15.0 45.3 14.9 300 300 A I S > S- 0 0 11 -57,-0.0 3,-1.4 -6,-0.0 -3,-0.3 -0.570 84.9-152.4-129.0 71.0 18.0 44.8 12.6 301 301 A P T 3 S+ 0 0 26 0, 0.0 -5,-0.2 0, 0.0 -6,-0.2 -0.073 81.3 0.3 -45.5 132.6 19.0 41.1 12.8 302 302 A H T 3> S+ 0 0 59 -7,-1.3 4,-1.9 -8,-0.7 -7,-0.2 0.871 85.1 169.1 50.5 41.3 22.7 40.5 12.1 303 303 A G T <4 S+ 0 0 0 -9,-1.5 -113,-2.0 -3,-1.4 -9,-0.1 0.599 71.6 34.9 -59.4 -17.6 22.9 44.3 11.7 304 304 A A T > S+ 0 0 1 -11,-0.6 4,-1.0 -115,-0.3 -1,-0.2 0.729 113.4 55.8-107.0 -34.8 26.7 44.3 11.7 305 305 A E H >>S+ 0 0 3 -12,-0.3 5,-2.4 -14,-0.2 4,-0.9 0.946 103.7 52.2 -64.0 -51.6 27.5 41.0 9.9 306 306 A K H ><5S+ 0 0 14 -4,-1.9 3,-1.1 1,-0.2 -1,-0.2 0.908 109.4 48.1 -55.5 -46.5 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,-0.2 0.815 109.0 56.2 -65.9 -25.5 27.1 45.1 6.0 308 308 A A H 3<5S- 0 0 0 -4,-1.0 -133,-2.4 -3,-0.4 -2,-0.2 0.664 129.0 -99.2 -77.1 -15.6 30.5 43.4 6.6 309 309 A G T <<5S+ 0 0 1 -3,-1.1 2,-0.9 -4,-0.9 3,-0.3 0.360 85.2 123.1 114.2 -1.6 29.7 40.9 3.9 310 310 A Y < + 0 0 3 -5,-2.4 -1,-0.2 1,-0.2 -2,-0.1 -0.769 15.1 128.2 -99.1 99.4 28.6 37.9 6.0 311 311 A N S S+ 0 0 72 -2,-0.9 2,-0.3 1,-0.2 -1,-0.2 0.684 80.7 22.9-115.3 -33.3 25.1 36.8 5.1 312 312 A D > - 0 0 73 -3,-0.3 4,-2.1 1,-0.1 -1,-0.2 -0.824 61.6-176.6-139.2 94.7 25.5 33.0 4.4 313 313 A Y H > S+ 0 0 30 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.844 83.4 57.7 -61.6 -36.8 28.6 31.6 6.2 314 314 A S H > S+ 0 0 40 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.928 110.7 42.8 -60.7 -43.8 28.1 28.1 4.7 315 315 A H H > S+ 0 0 95 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.889 113.0 54.7 -68.5 -37.8 28.2 29.5 1.2 316 316 A L H >X S+ 0 0 0 -4,-2.1 4,-0.8 1,-0.2 3,-0.7 0.909 107.0 49.6 -62.4 -44.9 31.1 31.7 2.2 317 317 A L H 3X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 3,-0.5 0.806 98.6 65.8 -66.9 -30.3 33.2 28.8 3.5 318 318 A D H 3X S+ 0 0 70 -4,-1.4 4,-2.3 1,-0.3 -1,-0.2 0.834 97.3 57.4 -60.0 -30.6 32.6 26.7 0.3 319 319 A A H S+ 0 0 0 -4,-0.8 5,-2.1 -3,-0.5 4,-0.7 0.940 111.4 46.2 -67.6 -49.7 37.5 28.7 1.0 321 321 A K H ><5S+ 0 0 110 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.904 113.8 51.2 -59.1 -40.8 37.4 24.9 0.5 322 322 A S H 3<5S+ 0 0 76 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.887 110.6 46.8 -63.7 -40.7 37.3 25.6 -3.3 323 323 A A H 3<5S- 0 0 9 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.505 112.2-120.1 -80.8 -3.0 40.3 27.9 -3.2 324 324 A K T <<5 + 0 0 143 -3,-0.8 2,-0.4 -4,-0.7 -40,-0.3 0.941 65.1 141.4 62.0 49.8 42.2 25.4 -1.0 325 325 A L < - 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