==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAR-99 1B9Z . COMPND 2 MOLECULE: PROTEIN (BETA-AMYLASE); . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR B.MIKAMI,M.ADACHI,T.KAGE,E.SARIKAYA,T.NANMORI,R.SHINKE, . 516 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21353.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 8.9 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 . 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 . 26 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.7 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 3 0 1 0 1 0 1 1 0 3 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 1 2 2 3 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 1 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 1 A A > 0 0 4 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 173.2 35.4 17.0 22.4 2 2 A V G > + 0 0 26 385,-2.1 3,-0.8 1,-0.2 452,-0.1 -0.184 360.0 16.0 -55.6 134.3 32.4 17.4 20.2 3 3 A N G 3 S- 0 0 135 450,-0.5 -1,-0.2 1,-0.2 451,-0.1 0.757 130.0 -65.6 70.0 29.3 31.0 14.1 18.7 4 4 A G G < S+ 0 0 13 -3,-1.0 453,-2.3 449,-0.4 -1,-0.2 0.571 106.3 113.5 77.7 6.2 32.8 11.8 21.1 5 5 A K < - 0 0 113 -3,-0.8 -1,-0.2 -4,-0.3 2,-0.1 -0.483 57.0-126.0-104.9 174.6 36.4 12.6 19.9 6 6 A G - 0 0 17 1,-0.2 -1,-0.1 -2,-0.1 440,-0.1 -0.246 46.1 -48.0-104.1-160.4 39.3 14.3 21.6 7 7 A M - 0 0 4 465,-0.5 -1,-0.2 438,-0.4 465,-0.2 -0.229 67.8 -86.9 -69.5 155.6 41.6 17.3 20.7 8 8 A N > - 0 0 24 382,-0.4 3,-1.8 377,-0.3 -1,-0.1 -0.477 30.0-145.2 -63.3 122.8 43.3 17.7 17.3 9 9 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.2 0, 0.0 412,-0.1 0.665 98.1 58.6 -63.9 -14.9 46.7 15.8 17.3 10 10 A D T 3 S+ 0 0 111 380,-0.1 381,-0.1 408,-0.1 -2,-0.1 0.402 75.5 140.7 -95.7 5.1 48.2 18.5 15.1 11 11 A Y < + 0 0 5 -3,-1.8 2,-0.3 379,-0.1 381,-0.2 -0.124 22.4 172.5 -49.3 135.3 47.6 21.4 17.6 12 12 A K E -a 392 0A 81 379,-0.7 381,-1.5 406,-0.1 2,-0.4 -0.985 25.7-133.2-140.9 150.5 50.4 24.0 17.9 13 13 A A E -ab 393 43A 1 29,-0.6 31,-2.5 -2,-0.3 32,-0.7 -0.838 23.6-166.0-106.0 146.0 50.5 27.4 19.7 14 14 A Y E -ab 394 45A 9 379,-2.9 381,-2.4 -2,-0.4 2,-0.4 -0.893 12.0-138.5-130.6 158.2 51.8 30.5 17.9 15 15 A L E -ab 395 46A 0 30,-2.1 32,-2.4 -2,-0.3 2,-0.3 -0.966 15.1-133.9-117.2 130.0 52.9 34.0 19.1 16 16 A M E - b 0 47A 11 379,-2.7 382,-2.2 -2,-0.4 381,-0.3 -0.693 24.5-135.2 -82.9 138.1 52.1 37.3 17.2 17 17 A A - 0 0 3 30,-2.5 380,-0.1 -2,-0.3 32,-0.1 -0.279 36.6 -76.3 -76.1 167.4 55.1 39.7 16.8 18 18 A P - 0 0 6 0, 0.0 31,-0.4 0, 0.0 -1,-0.2 -0.208 34.6-125.1 -55.0 157.4 55.0 43.5 17.5 19 19 A L S S+ 0 0 22 79,-0.1 2,-0.1 -3,-0.1 3,-0.1 0.842 94.7 67.6 -73.7 -31.5 53.2 45.7 14.8 20 20 A K S S- 0 0 80 78,-0.1 2,-0.1 1,-0.1 29,-0.1 -0.383 104.6 -84.7 -80.9 164.1 56.5 47.8 14.7 21 21 A K > - 0 0 65 1,-0.1 3,-2.4 -2,-0.1 4,-0.3 -0.444 41.3-114.9 -69.2 143.3 59.8 46.6 13.4 22 22 A I G >> S+ 0 0 2 1,-0.3 4,-2.6 2,-0.2 3,-1.5 0.819 114.0 59.5 -51.4 -41.0 61.9 44.7 16.1 23 23 A P G 34 S+ 0 0 73 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.508 100.4 55.6 -60.2 -9.9 64.6 47.5 16.1 24 24 A E G <4 S+ 0 0 132 -3,-2.4 -2,-0.2 3,-0.0 3,-0.1 0.414 117.8 35.9-100.4 0.4 62.0 50.1 17.2 25 25 A V T <4 S- 0 0 53 -3,-1.5 2,-0.2 -4,-0.3 -3,-0.1 0.736 131.7 -34.5-114.7 -56.2 61.1 47.9 20.2 26 26 A T S < S- 0 0 38 -4,-2.6 -1,-0.3 0, 0.0 2,-0.3 -0.568 74.9 -76.8-148.8-151.8 64.4 46.2 21.4 27 27 A N > - 0 0 76 -2,-0.2 4,-2.1 -3,-0.1 3,-0.3 -0.877 41.3-105.6-118.0 165.9 67.6 44.9 19.8 28 28 A W H > S+ 0 0 41 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.778 113.4 58.5 -63.2 -25.0 68.1 41.7 17.9 29 29 A E H > S+ 0 0 141 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.938 109.8 39.2 -73.1 -47.2 70.1 40.0 20.6 30 30 A T H > S+ 0 0 51 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.850 113.4 60.3 -75.3 -20.2 67.4 40.2 23.4 31 31 A F H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.959 105.5 47.0 -65.1 -44.5 64.9 39.4 20.5 32 32 A E H X S+ 0 0 28 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.873 112.4 49.1 -63.0 -36.9 66.7 36.1 19.9 33 33 A N H X S+ 0 0 81 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.870 107.9 54.8 -70.5 -33.1 66.8 35.3 23.6 34 34 A D H X S+ 0 0 27 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.887 107.1 51.1 -64.9 -38.6 63.0 36.1 23.9 35 35 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.856 109.0 49.8 -68.9 -30.9 62.3 33.5 21.1 36 36 A R H X S+ 0 0 105 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.888 112.8 48.1 -71.7 -35.5 64.3 30.9 23.0 37 37 A W H X S+ 0 0 84 -4,-2.0 4,-0.8 2,-0.2 3,-0.3 0.941 110.5 52.3 -66.1 -43.2 62.2 31.8 26.1 38 38 A A H ><>S+ 0 0 0 -4,-3.0 5,-1.7 1,-0.2 3,-1.0 0.908 107.6 51.0 -60.8 -40.8 59.0 31.5 24.0 39 39 A K H ><5S+ 0 0 103 -4,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.836 102.6 58.4 -69.9 -31.4 59.9 28.1 22.7 40 40 A Q H 3<5S+ 0 0 133 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.708 104.5 55.4 -67.7 -20.0 60.6 26.8 26.2 41 41 A N T <<5S- 0 0 8 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.086 130.1 -87.7 -98.9 22.5 56.9 27.8 27.0 42 42 A G T < 5S+ 0 0 27 -3,-1.3 -29,-0.6 1,-0.3 2,-0.3 0.456 78.4 140.6 92.4 -0.6 55.2 25.8 24.2 43 43 A F E < -b 13 0A 4 -5,-1.7 -1,-0.3 1,-0.1 -29,-0.2 -0.639 29.1-171.8 -82.7 135.8 55.3 28.2 21.2 44 44 A Y E - 0 0 84 -31,-2.5 37,-0.9 -2,-0.3 2,-0.3 0.757 62.3 -8.9 -92.1 -34.8 56.1 26.7 17.9 45 45 A A E -bc 14 81A 0 -32,-0.7 -30,-2.1 35,-0.2 2,-0.4 -0.986 58.8-117.3-160.0 165.6 56.5 29.8 15.7 46 46 A I E -bc 15 82A 0 35,-2.1 37,-2.1 -2,-0.3 2,-0.4 -0.938 20.9-148.2-113.6 134.3 56.1 33.6 15.5 47 47 A T E -bc 16 83A 3 -32,-2.4 -30,-2.5 -2,-0.4 2,-0.4 -0.852 23.2-178.7 -97.6 141.5 53.7 35.2 13.0 48 48 A V E - c 0 84A 5 35,-1.8 37,-1.8 -2,-0.4 2,-0.4 -0.999 26.9-123.6-145.8 143.6 54.8 38.7 11.7 49 49 A D E - c 0 85A 24 -31,-0.4 2,-0.6 -2,-0.4 37,-0.2 -0.694 14.8-167.0 -84.7 131.0 53.5 41.3 9.4 50 50 A F E - c 0 86A 6 35,-2.4 37,-1.6 -2,-0.4 2,-0.1 -0.983 28.4-139.0-114.0 107.9 55.7 42.4 6.5 51 51 A W E >> - c 0 87A 12 -2,-0.6 4,-1.7 35,-0.1 3,-0.8 -0.450 11.6-141.1 -74.2 144.3 54.0 45.6 5.3 52 52 A W H 3> S+ 0 0 2 35,-2.0 4,-1.4 37,-0.3 36,-0.1 0.859 102.5 62.6 -70.5 -35.6 53.4 46.5 1.7 53 53 A G H 34 S+ 0 0 4 34,-0.3 -1,-0.2 48,-0.3 52,-0.1 0.631 111.4 39.3 -64.8 -15.4 54.2 50.2 2.4 54 54 A D H <4 S+ 0 0 37 -3,-0.8 3,-0.5 47,-0.1 -1,-0.2 0.718 113.6 51.6 -99.9 -39.6 57.7 49.1 3.4 55 55 A M H < S+ 0 0 9 -4,-1.7 9,-1.8 1,-0.2 -2,-0.2 0.596 129.4 13.7 -76.4 -13.1 58.5 46.4 0.8 56 56 A E S < S+ 0 0 0 -4,-1.4 -1,-0.2 7,-0.2 6,-0.1 -0.189 82.4 138.3-160.0 50.2 57.6 48.5 -2.3 57 57 A K + 0 0 111 -3,-0.5 49,-0.3 1,-0.2 48,-0.2 0.880 63.8 48.4 -68.5 -48.1 57.4 52.0 -1.1 58 58 A N S S- 0 0 130 4,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.806 118.5 -38.1 -70.7 -33.6 59.2 54.1 -3.8 59 59 A G S > S- 0 0 8 3,-0.4 3,-2.1 46,-0.0 -1,-0.2 -0.966 79.4 -51.4-179.5 171.5 57.7 52.9 -7.0 60 60 A D T 3 S+ 0 0 54 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.369 123.3 3.4 -64.9 133.8 56.4 50.0 -8.9 61 61 A Q T 3 S+ 0 0 95 1,-0.2 2,-1.1 -2,-0.1 -1,-0.3 0.479 94.3 123.1 65.5 8.1 58.8 47.1 -9.0 62 62 A Q < - 0 0 115 -3,-2.1 -4,-0.4 -6,-0.1 -3,-0.4 -0.740 48.2-176.1 -97.6 81.7 61.2 49.1 -6.7 63 63 A F - 0 0 60 -2,-1.1 2,-0.3 -7,-0.1 -7,-0.2 -0.587 26.5-173.2 -89.0 145.4 61.5 46.4 -3.9 64 64 A D + 0 0 91 -9,-1.8 3,-0.3 -2,-0.2 4,-0.2 -0.835 16.1 159.8-136.8 96.3 63.2 46.2 -0.5 65 65 A F > + 0 0 22 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.244 43.5 111.4-100.1 16.8 63.1 42.9 1.4 66 66 A S H > S+ 0 0 69 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.845 78.0 48.1 -60.9 -40.8 66.1 43.7 3.7 67 67 A Y H > S+ 0 0 42 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.893 112.0 51.0 -68.3 -39.4 64.0 43.9 6.9 68 68 A A H > S+ 0 0 3 2,-0.2 4,-2.1 -4,-0.2 -2,-0.2 0.879 111.8 46.4 -66.3 -34.0 62.3 40.6 6.1 69 69 A Q H X S+ 0 0 73 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.909 112.7 49.7 -73.9 -36.5 65.6 38.8 5.5 70 70 A R H X S+ 0 0 102 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.864 111.0 49.3 -71.5 -34.5 67.2 40.2 8.7 71 71 A F H X S+ 0 0 1 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.965 110.9 50.7 -68.1 -45.1 64.1 39.1 10.7 72 72 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.826 106.1 55.5 -60.1 -36.4 64.3 35.6 9.2 73 73 A Q H X S+ 0 0 71 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.908 107.5 48.5 -63.7 -45.7 68.1 35.2 10.1 74 74 A S H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.827 110.2 51.7 -66.8 -29.5 67.4 36.0 13.8 75 75 A V H X>S+ 0 0 0 -4,-1.6 5,-2.2 2,-0.2 4,-0.6 0.895 109.7 51.0 -68.2 -39.8 64.5 33.4 13.8 76 76 A K H ><5S+ 0 0 80 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.960 110.6 48.8 -57.5 -53.4 67.1 30.9 12.3 77 77 A N H 3<5S+ 0 0 81 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.781 110.1 49.7 -59.2 -36.9 69.6 31.7 15.0 78 78 A A H 3<5S- 0 0 8 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.522 113.0-118.6 -81.2 -6.4 67.0 31.3 17.9 79 79 A G T <<5S+ 0 0 41 -3,-1.4 -3,-0.2 -4,-0.6 2,-0.2 0.769 71.0 121.0 76.8 26.2 66.0 27.9 16.4 80 80 A M < - 0 0 6 -5,-2.2 2,-0.2 -35,-0.0 -1,-0.2 -0.593 56.8-120.3-114.4 178.0 62.3 28.8 15.7 81 81 A K E -c 45 0A 67 -37,-0.9 -35,-2.1 -2,-0.2 2,-0.3 -0.715 21.8-151.9-113.4 159.2 59.9 29.0 12.8 82 82 A M E -cd 46 160A 0 77,-2.6 79,-2.4 -2,-0.2 80,-0.7 -0.923 10.3-152.2-130.2 162.9 58.0 32.0 11.4 83 83 A I E -c 47 0A 2 -37,-2.1 -35,-1.8 -2,-0.3 80,-0.2 -0.909 22.2-150.0-133.1 100.4 54.8 32.6 9.6 84 84 A P E -c 48 0A 0 0, 0.0 80,-2.7 0, 0.0 2,-0.5 -0.413 2.1-150.4 -70.2 150.5 54.9 35.7 7.4 85 85 A I E -ce 49 164A 8 -37,-1.8 -35,-2.4 78,-0.2 2,-1.7 -0.997 11.2-143.5-118.5 118.6 51.8 37.8 6.7 86 86 A I E -ce 50 165A 1 78,-2.4 2,-1.2 -2,-0.5 80,-0.8 -0.687 26.1-157.9 -86.7 89.6 52.0 39.6 3.3 87 87 A S E +c 51 0A 0 -2,-1.7 -35,-2.0 -37,-1.6 -34,-0.3 -0.585 29.5 167.3 -81.4 95.0 50.2 42.6 4.6 88 88 A T + 0 0 0 -2,-1.2 42,-0.4 -37,-0.2 2,-0.2 0.170 57.4 81.6 -90.6 20.4 48.7 44.5 1.7 89 89 A H S S- 0 0 11 40,-0.1 -37,-0.3 79,-0.1 -36,-0.2 -0.760 88.1 -86.1-119.6 167.5 46.6 46.6 4.1 90 90 A Q - 0 0 44 38,-1.9 2,-0.6 -2,-0.2 80,-0.4 -0.413 26.0-142.6 -76.3 141.7 47.3 49.7 6.2 91 91 A a B S+J 101 0B 0 10,-1.6 10,-1.8 -2,-0.1 2,-0.1 -0.930 73.8 51.7-100.8 122.7 48.8 49.5 9.8 92 92 A G S S+ 0 0 7 -2,-0.6 78,-0.1 8,-0.2 8,-0.1 -0.073 80.0 59.0 120.4 133.6 47.1 52.2 11.8 93 93 A G S S+ 0 0 73 1,-0.4 87,-0.3 4,-0.2 2,-0.2 0.122 85.6 89.5 104.4 -23.9 43.4 53.1 12.3 94 94 A N S > S- 0 0 29 1,-0.1 3,-1.6 85,-0.1 -1,-0.4 -0.530 89.6 -65.2-104.7 173.5 42.2 49.7 13.9 95 95 A V T 3 S+ 0 0 120 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 -0.396 118.4 5.0 -61.8 116.6 41.9 48.3 17.5 96 96 A G T 3 S+ 0 0 61 1,-0.3 -1,-0.2 -2,-0.3 2,-0.2 0.264 91.1 142.1 95.3 -9.3 45.3 47.8 19.1 97 97 A D < + 0 0 48 -3,-1.6 -1,-0.3 1,-0.1 -4,-0.2 -0.445 18.8 166.9 -72.8 135.5 47.3 49.4 16.3 98 98 A D + 0 0 109 -2,-0.2 2,-0.3 -3,-0.1 -78,-0.1 -0.699 53.3 75.9-147.2 75.3 50.2 51.4 17.3 99 99 A a - 0 0 24 -2,-0.1 -6,-0.2 -80,-0.1 2,-0.1 -0.931 63.3-141.1-170.7 171.4 52.0 51.8 14.0 100 100 A N + 0 0 126 -2,-0.3 -8,-0.2 -8,-0.1 -10,-0.0 -0.542 37.1 143.4-155.4 85.6 51.5 53.9 10.9 101 101 A V B -J 91 0B 22 -10,-1.8 -10,-1.6 -2,-0.1 -48,-0.3 -0.784 25.7-167.6-126.7 92.1 52.2 52.2 7.6 102 102 A P - 0 0 63 0, 0.0 3,-0.1 0, 0.0 -49,-0.1 -0.170 37.1 -95.3 -63.2 162.9 49.9 53.2 4.7 103 103 A I - 0 0 6 24,-0.3 -15,-0.1 1,-0.2 -50,-0.1 -0.459 69.1 -62.2 -76.5 162.1 50.0 51.1 1.5 104 104 A P > - 0 0 3 0, 0.0 3,-1.8 0, 0.0 4,-0.5 -0.239 45.1-137.8 -51.5 124.1 52.3 52.7 -1.3 105 105 A S T 3 S+ 0 0 91 1,-0.3 3,-0.4 -48,-0.2 4,-0.2 0.678 97.9 63.2 -51.1 -31.9 51.1 56.1 -2.3 106 106 A W T > S+ 0 0 34 -49,-0.3 3,-0.9 1,-0.2 -1,-0.3 0.588 84.3 74.3 -72.1 -20.8 51.8 55.5 -6.0 107 107 A V G X S+ 0 0 0 -3,-1.8 3,-1.5 1,-0.2 -1,-0.2 0.920 91.0 58.9 -64.1 -34.2 49.2 52.6 -6.3 108 108 A W G > S+ 0 0 44 -4,-0.5 3,-0.6 -3,-0.4 -1,-0.2 0.654 97.2 61.0 -68.1 -16.0 46.4 55.2 -6.2 109 109 A N G < S+ 0 0 139 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.428 79.0 85.4 -91.5 0.4 47.7 57.0 -9.3 110 110 A Q G < S+ 0 0 76 -3,-1.5 2,-0.3 -4,-0.2 -1,-0.2 0.587 94.4 41.1 -77.4 -7.6 47.3 53.9 -11.6 111 111 A K < - 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0 0 35 -5,-1.2 -1,-0.2 -6,-0.2 -2,-0.0 -0.447 61.7-134.2-111.8-178.7 9.1 46.3 -8.9 224 224 A K + 0 0 190 -2,-0.1 2,-0.1 -3,-0.1 -5,-0.0 -0.245 35.8 172.7-133.7 45.0 8.2 49.1 -11.3 225 225 A L - 0 0 37 -11,-0.1 -7,-0.1 1,-0.1 3,-0.1 -0.344 19.8-158.7 -61.0 130.0 11.6 50.5 -12.2 226 226 A I + 0 0 155 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.820 67.4 8.5 -75.6 -42.7 11.5 53.1 -14.9 227 227 A S S > S- 0 0 38 -13,-0.1 3,-1.3 1,-0.0 -1,-0.1 -0.920 74.2-108.4-140.4 164.9 15.0 53.1 -16.3 228 228 A E G > S+ 0 0 95 -2,-0.3 3,-1.5 1,-0.3 -20,-0.1 0.761 113.4 69.0 -71.3 -23.0 18.1 51.0 -16.0 229 229 A L G 3 S+ 0 0 119 1,-0.3 -1,-0.3 3,-0.0 -25,-0.0 0.611 85.9 70.0 -68.9 -13.5 19.7 53.8 -14.0 230 230 A A G < + 0 0 40 -3,-1.3 2,-0.9 2,-0.1 -1,-0.3 0.360 69.4 101.6 -84.6 2.9 17.3 53.1 -11.2 231 231 A I < + 0 0 1 -3,-1.5 -27,-0.2 -6,-0.0 -24,-0.0 -0.852 57.8 147.8 -92.7 105.1 19.0 49.8 -10.4 232 232 A L - 0 0 67 -2,-0.9 3,-0.1 -29,-0.1 -2,-0.1 -0.856 53.7 -95.7-130.5 164.2 21.1 51.0 -7.3 233 233 A P S S- 0 0 4 0, 0.0 -33,-0.0 0, 0.0 -1,-0.0 -0.440 74.8 -61.3 -69.2 165.1 22.5 49.8 -3.9 234 234 A P - 0 0 11 0, 0.0 3,-0.2 0, 0.0 -42,-0.1 -0.144 37.7-154.8 -55.4 131.8 20.2 50.7 -0.9 235 235 A S S S+ 0 0 118 1,-0.3 2,-0.4 -3,-0.1 0, 0.0 0.714 91.1 35.1 -78.9 -19.3 19.5 54.4 -0.4 236 236 A D > - 0 0 79 1,-0.1 4,-1.9 2,-0.0 -1,-0.3 -0.918 65.2-172.5-136.4 109.3 18.8 53.6 3.3 237 237 A G H > S+ 0 0 0 -2,-0.4 4,-2.3 -3,-0.2 5,-0.1 0.790 85.9 55.5 -73.1 -28.3 20.9 50.9 5.0 238 238 A E H > S+ 0 0 87 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.952 110.3 43.9 -68.6 -49.3 18.9 50.9 8.2 239 239 A Q H >>S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 5,-1.3 0.896 113.2 54.6 -62.9 -41.4 15.6 50.3 6.4 240 240 A F H <>S+ 0 0 4 -4,-1.9 5,-1.9 1,-0.2 -1,-0.2 0.927 111.4 43.1 -60.5 -43.6 17.3 47.7 4.4 241 241 A L H <5S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.720 111.1 55.8 -76.6 -18.1 18.5 45.9 7.5 242 242 A M H <5S- 0 0 79 -4,-1.6 -1,-0.2 58,-0.2 -2,-0.2 0.879 141.2 -36.2 -78.0 -41.3 15.1 46.2 9.3 243 243 A N T ><5S+ 0 0 88 -4,-2.1 3,-1.4 -5,-0.1 4,-0.3 0.547 112.8 89.9-160.6 -9.7 13.2 44.5 6.4 244 244 A G G > S- 0 0 56 -3,-1.5 4,-1.9 -4,-0.3 5,-0.1 -0.052 92.2-108.2 -76.0 176.3 12.7 40.9 -0.4 248 248 A M H > S+ 0 0 80 -27,-0.3 4,-1.5 2,-0.2 5,-0.1 0.824 122.3 52.7 -74.2 -29.7 13.9 39.4 -3.7 249 249 A Y H > S+ 0 0 45 -28,-0.3 4,-2.7 2,-0.2 3,-0.5 0.966 108.0 53.6 -63.0 -53.4 15.9 42.5 -4.4 250 250 A G H > S+ 0 0 0 -6,-0.7 4,-2.3 1,-0.3 5,-0.2 0.894 108.0 47.4 -49.0 -50.2 17.5 42.2 -0.9 251 251 A K H X S+ 0 0 118 -4,-1.9 4,-1.3 1,-0.2 -1,-0.3 0.838 113.5 48.5 -64.6 -33.7 18.6 38.6 -1.5 252 252 A D H X S+ 0 0 1 -4,-1.5 4,-1.9 -3,-0.5 -2,-0.2 0.874 110.8 50.8 -75.7 -36.4 20.1 39.5 -4.9 253 253 A Y H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.948 112.6 45.5 -66.3 -44.5 22.0 42.5 -3.5 254 254 A L H X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 5,-0.3 0.830 109.9 55.5 -70.0 -26.4 23.5 40.5 -0.6 255 255 A E H X S+ 0 0 105 -4,-1.3 4,-1.5 -5,-0.2 -1,-0.2 0.914 113.3 40.9 -69.3 -45.2 24.5 37.7 -3.1 256 256 A W H X S+ 0 0 15 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.957 115.7 51.0 -67.6 -47.8 26.4 40.2 -5.3 257 257 A Y H X S+ 0 0 2 -4,-2.7 4,-0.6 1,-0.2 3,-0.5 0.924 118.4 35.5 -56.3 -53.5 28.0 42.1 -2.2 258 258 A Q H >X S+ 0 0 8 -4,-2.1 4,-1.5 1,-0.2 3,-0.8 0.834 110.6 67.6 -70.1 -31.3 29.3 38.9 -0.4 259 259 A G H 3X S+ 0 0 15 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.2 0.810 91.6 59.7 -57.1 -36.0 30.1 37.4 -3.9 260 260 A I H 3X S+ 0 0 15 -4,-1.5 4,-1.5 -3,-0.5 -1,-0.3 0.890 106.9 46.0 -63.8 -35.6 32.8 40.0 -4.5 261 261 A L H X S+ 0 0 20 -4,-1.8 4,-2.1 2,-0.2 3,-1.0 0.995 115.7 40.6 -69.6 -59.1 42.0 35.3 -7.1 268 268 A I H 3X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.3 5,-0.2 0.847 113.8 54.2 -62.0 -31.8 44.5 35.8 -4.2 269 269 A G H 3X S+ 0 0 1 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.3 0.806 111.1 47.4 -70.7 -24.1 44.6 32.1 -3.3 270 270 A E H S+ 0 0 1 -4,-2.1 4,-2.4 -5,-0.2 5,-1.1 0.747 94.9 82.8-108.9 -29.7 54.9 29.8 -3.5 277 277 A D T <5S+ 0 0 64 -4,-2.0 4,-0.1 -5,-0.4 -3,-0.1 0.836 99.1 40.4 -51.5 -38.9 53.9 26.2 -3.9 278 278 A T T 45S+ 0 0 113 -4,-0.5 -1,-0.2 -5,-0.3 -2,-0.1 0.962 123.3 38.4 -73.6 -48.2 57.1 25.0 -5.7 279 279 A T T 45S+ 0 0 33 -4,-0.3 -2,-0.2 1,-0.1 -3,-0.1 0.963 133.7 15.7 -68.5 -59.2 59.5 27.0 -3.6 280 280 A F T <5S- 0 0 7 -4,-2.4 -3,-0.2 2,-0.1 -2,-0.1 0.882 70.8-159.9 -90.9 -38.4 58.0 26.7 -0.1 281 281 A Q < + 0 0 144 -5,-1.1 -4,-0.1 1,-0.2 -3,-0.1 0.887 45.6 134.9 58.2 38.9 55.4 23.8 -0.1 282 282 A V - 0 0 24 -6,-0.2 -1,-0.2 1,-0.1 -120,-0.2 -0.840 63.4 -89.5-113.9 153.8 53.7 25.2 3.0 283 283 A P - 0 0 58 0, 0.0 -120,-1.8 0, 0.0 2,-0.3 -0.317 39.2-150.9 -51.3 141.3 49.9 25.7 3.9 284 284 A I E +f 163 0A 3 40,-0.4 42,-2.0 -122,-0.2 2,-0.3 -0.923 20.9 172.1-118.4 147.2 48.5 29.1 2.9 285 285 A G E -fg 164 326A 4 -122,-1.7 -120,-2.3 -2,-0.3 2,-0.3 -0.924 19.8-156.8-147.7 174.4 45.6 30.7 4.8 286 286 A A E - g 0 327A 3 40,-1.8 42,-1.4 -2,-0.3 2,-0.4 -0.902 23.8-112.4-144.7 173.8 43.5 33.9 5.2 287 287 A K E - g 0 328A 21 -116,-0.5 -114,-3.1 -122,-0.4 2,-0.4 -0.890 10.2-156.3-127.0 148.5 41.4 35.4 8.0 288 288 A I E - g 0 329A 0 40,-2.7 42,-1.6 -2,-0.4 -114,-0.1 -0.945 26.8-122.6-116.0 131.0 37.8 36.1 8.8 289 289 A A - 0 0 0 -2,-0.4 2,-0.9 -116,-0.3 42,-0.1 -0.300 13.6-126.5 -69.1 154.9 36.7 38.7 11.3 290 290 A G + 0 0 11 40,-0.2 2,-1.4 39,-0.1 3,-0.1 -0.786 29.4 178.2-103.1 85.7 34.6 38.1 14.4 291 291 A V + 0 0 0 -2,-0.9 14,-0.2 1,-0.2 13,-0.2 -0.680 16.4 155.9 -89.5 89.3 31.8 40.7 14.0 292 292 A H + 0 0 13 -2,-1.4 53,-2.6 12,-0.1 3,-0.5 0.421 35.7 94.2 -95.9 -5.9 29.8 39.6 17.1 293 293 A W S S+ 0 0 15 51,-0.2 11,-0.5 1,-0.2 12,-0.3 -0.621 87.1 20.2 -92.3 154.3 27.8 42.8 17.9 294 294 A Q S > S+ 0 0 14 48,-2.9 9,-1.3 -2,-0.2 3,-0.9 0.597 85.7 132.7 62.9 19.0 24.3 43.5 16.7 295 295 A Y T 3 S+ 0 0 38 48,-1.1 7,-1.7 -3,-0.5 49,-0.1 0.963 78.8 20.8 -62.8 -58.3 24.0 39.7 16.2 296 296 A N T 3 S+ 0 0 64 47,-1.0 -1,-0.3 5,-0.2 47,-0.1 -0.103 84.2 142.7-104.1 32.7 20.6 39.2 17.9 297 297 A N < - 0 0 21 -3,-0.9 6,-0.1 3,-0.3 5,-0.1 -0.599 43.0-149.1 -70.1 124.1 19.3 42.8 17.7 298 298 A P S S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.839 91.3 46.8 -62.8 -38.9 15.5 42.4 16.9 299 299 A T S S+ 0 0 81 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.929 131.0 17.5 -71.6 -46.2 15.1 45.6 14.9 300 300 A I S > S- 0 0 12 -57,-0.0 3,-1.1 -6,-0.0 -3,-0.3 -0.657 85.0-154.3-122.9 73.9 18.2 45.1 12.6 301 301 A P T 3 S+ 0 0 29 0, 0.0 -5,-0.2 0, 0.0 -6,-0.2 -0.168 79.6 2.9 -54.9 140.1 19.2 41.4 12.8 302 302 A H T 3> S+ 0 0 59 -7,-1.7 4,-2.2 -8,-0.7 -7,-0.2 0.864 86.2 165.9 48.0 41.1 23.0 40.7 12.1 303 303 A G T <4 + 0 0 0 -9,-1.3 -113,-1.7 -3,-1.1 -9,-0.1 0.510 68.2 35.1 -62.3 -18.2 23.3 44.4 11.8 304 304 A A T > S+ 0 0 2 -11,-0.5 4,-1.0 -115,-0.2 -1,-0.2 0.684 114.4 55.2-109.6 -34.1 27.0 44.6 11.9 305 305 A E H >>S+ 0 0 3 -12,-0.3 5,-2.5 -14,-0.2 4,-0.5 0.947 102.4 54.9 -63.2 -49.2 27.9 41.3 10.0 306 306 A K H ><5S+ 0 0 15 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.908 107.1 47.2 -58.4 -48.0 25.9 42.0 6.8 307 307 A P H 345S+ 0 0 0 0, 0.0 -114,-0.3 0, 0.0 -1,-0.2 0.774 109.2 57.6 -58.6 -27.6 27.6 45.5 5.9 308 308 A A H 3<5S- 0 0 0 -4,-1.0 -133,-2.0 -3,-0.5 -2,-0.2 0.560 129.8 -98.7 -77.8 -12.5 31.0 43.9 6.6 309 309 A G T <<5S+ 0 0 1 -3,-1.6 2,-0.9 -4,-0.5 -3,-0.2 0.395 83.2 126.7 111.8 3.3 30.1 41.3 3.9 310 310 A Y < + 0 0 4 -5,-2.5 3,-0.1 1,-0.2 -2,-0.1 -0.713 12.9 129.9-104.0 94.1 28.9 38.3 6.0 311 311 A N S S+ 0 0 73 -2,-0.9 2,-0.4 1,-0.2 -1,-0.2 0.804 77.9 19.1-106.1 -36.9 25.5 37.1 4.9 312 312 A D > - 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