==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-JAN-02 1ITC . COMPND 2 MOLECULE: BETA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR H.MIYAKE,G.KURISU,M.KUSUNOKI,S.NISHIMURA,S.KITAMURA,Y.NITTA . 516 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21009.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 351 68.0 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 . 38 7.4 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 . 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 1 2 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 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 PARALLEL BRIDGES PER LADDER . 1 1 4 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 2 0, 0.0 3,-0.7 0, 0.0 387,-0.2 0.000 360.0 360.0 360.0-174.1 15.5 -16.4 9.8 2 2 A V G > + 0 0 28 385,-2.1 3,-1.4 1,-0.2 452,-0.1 -0.356 360.0 30.1 -71.9 157.2 18.7 -16.2 11.7 3 3 A N G 3 S- 0 0 143 450,-0.4 -1,-0.2 1,-0.3 451,-0.1 0.810 131.3 -72.5 63.8 31.3 19.9 -19.3 13.6 4 4 A G G < S+ 0 0 17 -3,-0.7 453,-1.9 449,-0.4 -1,-0.3 0.617 104.5 123.5 61.0 13.8 18.1 -21.6 11.1 5 5 A K < - 0 0 123 -3,-1.4 2,-0.2 451,-0.2 -1,-0.2 -0.050 50.1-135.3 -89.2-165.7 14.7 -20.6 12.5 6 6 A G - 0 0 15 1,-0.2 383,-0.2 -3,-0.1 -1,-0.1 -0.631 42.8 -48.1-136.4-166.5 11.6 -19.1 10.8 7 7 A M - 0 0 4 465,-0.6 465,-0.2 438,-0.4 -1,-0.2 -0.317 69.8 -91.1 -69.2 154.8 9.1 -16.3 11.5 8 8 A N > - 0 0 17 382,-0.4 3,-1.5 377,-0.3 -1,-0.1 -0.489 24.7-142.2 -70.6 131.3 7.4 -16.2 14.9 9 9 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 412,-0.1 0.754 100.9 55.3 -64.5 -23.7 4.2 -18.2 15.2 10 10 A D T 3 S+ 0 0 108 408,-0.1 381,-0.1 2,-0.0 -2,-0.1 0.397 77.2 141.8 -91.0 2.1 2.7 -15.5 17.4 11 11 A Y < + 0 0 2 -3,-1.5 2,-0.3 379,-0.1 381,-0.3 -0.153 23.0 174.6 -50.0 130.8 3.3 -12.7 14.9 12 12 A K E -a 392 0A 74 379,-0.9 381,-2.0 406,-0.1 2,-0.4 -0.944 25.0-133.1-135.2 154.4 0.5 -10.1 14.8 13 13 A A E -ab 393 43A 3 29,-0.6 31,-3.3 -2,-0.3 32,-0.8 -0.917 24.2-169.1-111.0 138.3 0.2 -6.8 12.9 14 14 A Y E -ab 394 45A 28 379,-3.3 381,-2.7 -2,-0.4 2,-0.4 -0.880 12.2-141.8-125.7 158.4 -1.1 -3.7 14.8 15 15 A L E -ab 395 46A 1 30,-2.2 32,-1.9 -2,-0.3 2,-0.3 -0.979 15.3-131.7-126.1 126.6 -2.1 -0.2 13.7 16 16 A M E - b 0 47A 8 379,-2.4 382,-2.8 -2,-0.4 381,-0.3 -0.573 23.8-135.0 -74.8 130.8 -1.4 3.0 15.5 17 17 A A - 0 0 3 30,-2.9 380,-0.1 -2,-0.3 381,-0.1 -0.223 38.2 -78.8 -75.0 172.7 -4.5 5.2 15.9 18 18 A P - 0 0 5 0, 0.0 31,-0.4 0, 0.0 -1,-0.2 -0.284 35.6-122.5 -67.8 163.3 -4.2 9.0 15.2 19 19 A L S S+ 0 0 9 -3,-0.1 2,-0.1 29,-0.1 3,-0.1 0.876 95.7 63.9 -73.9 -36.9 -2.6 11.1 17.9 20 20 A K S S- 0 0 82 1,-0.1 29,-0.1 2,-0.1 5,-0.1 -0.393 106.0 -81.7 -82.5 163.1 -5.7 13.3 18.2 21 21 A K > - 0 0 56 1,-0.1 3,-2.0 -2,-0.1 4,-0.3 -0.326 41.3-114.0 -63.6 147.2 -9.1 12.0 19.3 22 22 A I G >> S+ 0 0 2 1,-0.3 4,-3.2 2,-0.2 3,-2.8 0.882 114.0 62.4 -49.7 -45.8 -11.1 10.2 16.6 23 23 A P G 34 S+ 0 0 72 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.698 99.9 55.0 -55.9 -20.6 -13.8 12.9 16.7 24 24 A E G <4 S+ 0 0 120 -3,-2.0 -2,-0.2 1,-0.1 3,-0.1 0.437 119.4 32.9 -92.3 0.6 -11.2 15.5 15.5 25 25 A V T <4 S- 0 0 52 -3,-2.8 2,-0.3 1,-0.5 -3,-0.1 0.687 130.2 -26.6-119.5 -44.5 -10.4 13.2 12.5 26 26 A T S < S- 0 0 29 -4,-3.2 -1,-0.5 0, 0.0 2,-0.2 -0.905 73.5 -76.5-160.0-178.8 -13.6 11.5 11.5 27 27 A N > - 0 0 80 -2,-0.3 4,-2.1 -3,-0.1 5,-0.1 -0.597 40.0-113.3 -92.6 158.0 -16.9 10.3 12.9 28 28 A W H > S+ 0 0 40 1,-0.2 4,-1.9 -2,-0.2 5,-0.1 0.769 114.1 57.1 -59.4 -29.2 -17.4 7.2 15.0 29 29 A E H > S+ 0 0 144 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.946 110.1 42.7 -67.7 -49.6 -19.4 5.4 12.3 30 30 A T H > S+ 0 0 49 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.856 110.3 59.2 -64.1 -35.0 -16.6 5.7 9.7 31 31 A F H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.928 103.9 50.1 -60.1 -45.9 -14.1 4.8 12.4 32 32 A E H X S+ 0 0 26 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.872 111.5 48.4 -62.2 -35.6 -15.8 1.5 13.0 33 33 A N H X S+ 0 0 82 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.880 108.2 54.7 -71.0 -36.5 -15.8 0.8 9.2 34 34 A D H X S+ 0 0 21 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.888 107.6 50.6 -61.8 -39.6 -12.1 1.7 9.1 35 35 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.888 108.7 49.9 -66.5 -40.4 -11.4 -0.9 11.8 36 36 A R H X S+ 0 0 105 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.871 113.1 48.4 -65.9 -34.7 -13.3 -3.6 9.9 37 37 A W H X S+ 0 0 88 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.946 110.5 49.4 -68.8 -49.0 -11.2 -2.6 6.9 38 38 A A H ><>S+ 0 0 1 -4,-3.0 5,-2.0 1,-0.2 3,-1.3 0.938 111.0 51.2 -54.8 -46.4 -8.0 -2.7 8.9 39 39 A K H ><5S+ 0 0 112 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.894 105.6 55.2 -57.6 -40.9 -9.0 -6.1 10.2 40 40 A Q H 3<5S+ 0 0 128 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.673 105.1 55.2 -67.4 -17.2 -9.7 -7.3 6.7 41 41 A N T <<5S- 0 0 5 -3,-1.3 -1,-0.3 -4,-1.0 -2,-0.2 0.164 130.8 -87.4-102.2 16.7 -6.1 -6.3 5.8 42 42 A G T < 5S+ 0 0 26 -3,-1.6 -29,-0.6 1,-0.3 2,-0.4 0.499 78.9 142.1 95.2 3.6 -4.4 -8.4 8.5 43 43 A F E < -b 13 0A 3 -5,-2.0 -1,-0.3 -6,-0.2 -29,-0.2 -0.676 29.8-170.1 -82.1 128.1 -4.5 -6.0 11.4 44 44 A Y E - 0 0 89 -31,-3.3 37,-0.4 -2,-0.4 2,-0.3 0.819 64.6 -13.3 -85.4 -34.0 -5.1 -7.7 14.8 45 45 A A E -b 14 0A 0 -32,-0.8 -30,-2.2 35,-0.1 2,-0.4 -0.977 59.9-114.6-160.5 169.9 -5.6 -4.6 16.9 46 46 A I E -bc 15 82A 1 35,-1.8 37,-2.7 -2,-0.3 2,-0.4 -0.954 21.4-145.2-117.6 128.8 -5.2 -0.8 17.2 47 47 A T E -bc 16 83A 2 -32,-1.9 -30,-2.9 -2,-0.4 2,-0.4 -0.763 24.2-171.4 -91.0 139.7 -2.9 0.9 19.6 48 48 A V E - c 0 84A 4 35,-2.1 37,-2.0 -2,-0.4 2,-0.4 -0.993 23.1-127.7-142.3 136.2 -4.2 4.2 21.0 49 49 A D E - c 0 85A 21 -31,-0.4 2,-0.7 -2,-0.4 37,-0.1 -0.642 16.1-170.9 -79.4 124.7 -2.8 7.0 23.1 50 50 A F E - c 0 86A 4 35,-2.3 37,-1.3 -2,-0.4 2,-0.2 -0.949 27.1-139.4-114.7 101.3 -5.0 8.0 26.1 51 51 A W E >> - c 0 87A 12 -2,-0.7 4,-1.9 35,-0.1 3,-1.3 -0.444 11.9-143.5 -71.2 133.4 -3.2 11.2 27.3 52 52 A W H 3> S+ 0 0 0 35,-2.4 4,-2.1 37,-0.3 -1,-0.1 0.884 104.6 62.1 -59.1 -39.0 -2.7 11.9 30.9 53 53 A G H 34 S+ 0 0 4 34,-0.3 -1,-0.3 48,-0.3 52,-0.1 0.765 110.0 41.6 -58.9 -24.1 -3.4 15.6 30.1 54 54 A D H <4 S+ 0 0 41 -3,-1.3 3,-0.3 47,-0.1 -2,-0.2 0.791 115.8 47.0 -91.7 -33.2 -6.8 14.4 29.0 55 55 A M H < S+ 0 0 8 -4,-1.9 9,-2.1 1,-0.2 -2,-0.2 0.681 127.4 18.5 -86.7 -19.7 -7.6 11.9 31.8 56 56 A E S < S+ 0 0 0 -4,-2.1 3,-0.2 7,-0.2 -1,-0.2 -0.185 82.1 130.9-145.0 45.1 -6.6 13.9 35.0 57 57 A K + 0 0 143 -3,-0.3 49,-0.4 1,-0.2 48,-0.1 0.959 63.4 54.0 -65.2 -58.4 -6.6 17.5 33.8 58 58 A N S S- 0 0 129 4,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.653 119.6 -52.2 -57.1 -23.3 -8.7 19.5 36.3 59 59 A G S > S- 0 0 8 3,-0.5 3,-1.9 -3,-0.2 2,-0.2 -0.944 79.6 -35.9 165.3 175.0 -6.7 18.3 39.4 60 60 A D T 3 S- 0 0 55 -2,-0.3 3,-0.1 1,-0.3 -3,-0.1 -0.404 125.8 -1.7 -62.1 125.9 -5.3 15.5 41.5 61 61 A Q T 3 S+ 0 0 95 1,-0.2 2,-1.1 -2,-0.2 -1,-0.3 0.583 94.9 126.4 69.3 12.4 -7.7 12.5 41.3 62 62 A Q < - 0 0 109 -3,-1.9 -3,-0.5 -6,-0.2 -4,-0.3 -0.805 46.4-172.4-100.7 90.6 -10.2 14.3 39.2 63 63 A F - 0 0 61 -2,-1.1 2,-0.3 -7,-0.1 -7,-0.2 -0.527 26.7-172.9 -92.7 153.5 -10.5 11.8 36.4 64 64 A D + 0 0 82 -9,-2.1 4,-0.2 -2,-0.2 3,-0.2 -0.879 17.4 158.3-143.2 103.5 -12.2 11.7 33.0 65 65 A F > + 0 0 19 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 0.139 42.2 112.8-111.1 17.7 -12.2 8.4 31.1 66 66 A S H > S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.874 77.7 47.1 -59.0 -41.6 -15.1 9.3 28.9 67 67 A Y H > S+ 0 0 37 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.950 111.4 50.3 -66.2 -48.0 -13.1 9.5 25.7 68 68 A A H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.901 111.7 49.8 -55.6 -41.8 -11.4 6.2 26.4 69 69 A Q H X S+ 0 0 75 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.911 111.1 47.7 -65.7 -42.0 -14.8 4.6 27.1 70 70 A R H X S+ 0 0 95 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.905 112.0 50.1 -65.9 -40.5 -16.3 5.9 23.9 71 71 A F H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.938 110.9 49.7 -61.4 -47.1 -13.3 4.7 21.8 72 72 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.868 105.8 57.3 -60.4 -38.8 -13.6 1.3 23.4 73 73 A Q H X S+ 0 0 61 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.900 108.7 44.8 -60.9 -43.0 -17.3 1.1 22.6 74 74 A S H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.860 110.2 54.3 -70.6 -34.9 -16.7 1.6 18.9 75 75 A V H <>S+ 0 0 0 -4,-2.0 5,-2.7 1,-0.2 -2,-0.2 0.922 111.2 47.5 -61.8 -41.5 -13.8 -0.9 18.9 76 76 A K H ><5S+ 0 0 95 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.929 108.9 53.1 -62.7 -47.7 -16.3 -3.3 20.5 77 77 A N H 3<5S+ 0 0 77 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.816 108.9 50.3 -57.5 -34.0 -19.0 -2.4 17.9 78 78 A A T 3<5S- 0 0 7 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.373 112.3-119.7 -87.8 4.6 -16.5 -3.2 15.1 79 79 A G T < 5S+ 0 0 48 -3,-1.9 -3,-0.2 1,-0.2 2,-0.2 0.839 71.6 132.1 59.9 34.6 -15.6 -6.5 16.6 80 80 A M < - 0 0 6 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.467 53.5-122.6-110.0 178.9 -12.0 -5.4 16.9 81 81 A K - 0 0 68 -37,-0.4 -35,-1.8 -2,-0.2 2,-0.3 -0.911 20.9-158.5-123.0 152.8 -9.3 -5.3 19.6 82 82 A M E -cd 46 160A 0 77,-3.1 79,-2.3 -2,-0.3 80,-0.8 -0.916 13.4-148.3-131.7 158.1 -7.4 -2.4 21.1 83 83 A I E -c 47 0A 1 -37,-2.7 -35,-2.1 -2,-0.3 80,-0.2 -0.901 22.9-146.4-127.7 99.1 -4.1 -1.8 22.9 84 84 A P E -c 48 0A 0 0, 0.0 80,-3.4 0, 0.0 2,-0.5 -0.381 5.2-156.9 -66.5 140.9 -4.3 1.2 25.4 85 85 A I E -ce 49 164A 6 -37,-2.0 -35,-2.3 78,-0.2 2,-1.8 -0.984 11.1-146.0-118.9 115.7 -1.2 3.3 25.9 86 86 A I E -ce 50 165A 0 78,-2.4 2,-1.5 -2,-0.5 80,-0.7 -0.651 22.2-158.4 -82.8 87.6 -1.3 5.1 29.3 87 87 A S E +c 51 0A 0 -2,-1.8 -35,-2.4 -37,-1.3 -34,-0.3 -0.531 25.5 169.7 -76.6 88.5 0.5 8.1 27.9 88 88 A T + 0 0 0 -2,-1.5 42,-0.4 -37,-0.2 2,-0.3 0.059 58.7 82.1 -84.5 24.6 2.0 9.8 30.9 89 89 A H S S- 0 0 10 40,-0.1 -37,-0.3 13,-0.1 -36,-0.3 -0.860 88.4 -91.6-126.7 163.5 4.0 12.0 28.5 90 90 A Q - 0 0 41 38,-1.9 2,-0.5 -2,-0.3 80,-0.4 -0.499 27.0-137.4 -77.1 138.4 3.2 15.2 26.5 91 91 A a B S+K 101 0B 0 10,-1.9 10,-1.6 -2,-0.2 2,-0.1 -0.856 71.6 50.6 -91.9 128.0 1.8 15.0 23.0 92 92 A G S S+ 0 0 4 -2,-0.5 78,-0.1 8,-0.2 8,-0.1 -0.106 78.3 55.5 120.6 141.6 3.6 17.6 20.9 93 93 A G S S+ 0 0 74 1,-0.3 87,-0.3 6,-0.2 2,-0.3 0.186 86.0 96.4 93.4 -18.8 7.2 18.7 20.2 94 94 A N S > S- 0 0 20 1,-0.1 3,-2.4 85,-0.1 -1,-0.3 -0.722 89.8 -69.2-106.4 157.8 8.4 15.3 19.0 95 95 A V T 3 S+ 0 0 114 1,-0.3 -1,-0.1 -2,-0.3 3,-0.1 -0.075 118.4 6.1 -45.4 128.6 8.7 14.0 15.4 96 96 A G T 3 S+ 0 0 64 1,-0.3 -1,-0.3 -3,-0.1 2,-0.0 0.251 93.9 138.9 81.2 -14.2 5.3 13.4 13.7 97 97 A D < + 0 0 43 -3,-2.4 -1,-0.3 1,-0.1 -4,-0.2 -0.339 22.9 170.1 -65.9 143.7 3.4 14.9 16.6 98 98 A D + 0 0 86 -3,-0.1 2,-0.2 -6,-0.1 -1,-0.1 0.338 54.1 69.3-134.6 1.7 0.5 17.2 15.7 99 99 A a - 0 0 22 2,-0.1 -6,-0.2 -79,-0.0 2,-0.2 -0.471 64.7-139.5-109.0-175.3 -1.3 17.8 19.0 100 100 A N + 0 0 120 -2,-0.2 -8,-0.2 -8,-0.1 -10,-0.0 -0.623 37.9 147.9-148.4 82.7 -0.5 19.7 22.2 101 101 A V B -K 91 0B 25 -10,-1.6 -10,-1.9 -2,-0.2 -48,-0.3 -0.838 25.7-168.2-120.7 89.0 -1.5 17.7 25.3 102 102 A P - 0 0 59 0, 0.0 3,-0.2 0, 0.0 26,-0.1 -0.340 36.3 -93.2 -70.2 158.8 0.9 18.5 28.1 103 103 A I S S- 0 0 4 24,-0.4 -15,-0.1 1,-0.2 -13,-0.1 -0.365 70.8 -60.7 -68.3 158.5 0.8 16.3 31.2 104 104 A P > - 0 0 3 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.126 47.3-142.3 -43.4 121.0 -1.5 17.8 33.9 105 105 A S G > S+ 0 0 91 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.783 94.8 68.3 -60.2 -28.3 -0.1 21.2 34.9 106 106 A W G > S+ 0 0 32 -49,-0.4 3,-1.3 1,-0.2 -1,-0.3 0.752 83.3 74.7 -64.5 -21.8 -1.0 20.7 38.6 107 107 A V G X S+ 0 0 0 -3,-1.6 3,-1.5 1,-0.3 -1,-0.2 0.836 85.0 63.3 -61.1 -32.2 1.6 17.9 38.8 108 108 A W G X S+ 0 0 41 -3,-1.1 3,-0.6 -4,-0.4 -1,-0.3 0.735 96.7 59.2 -65.6 -21.5 4.5 20.4 38.8 109 109 A N G < S+ 0 0 134 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.412 76.6 89.4 -89.5 2.7 3.3 21.9 42.1 110 110 A Q G < S+ 0 0 80 -3,-1.5 2,-0.3 -4,-0.2 -1,-0.2 0.474 97.2 35.2 -76.5 -0.3 3.5 18.6 44.1 111 111 A K < - 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0 0 4 133,-1.8 2,-2.4 -2,-0.3 3,-0.3 -0.698 43.7-108.9 -98.8 152.9 15.7 11.0 28.7 176 176 A P + 0 0 0 0, 0.0 3,-0.1 0, 0.0 132,-0.1 -0.412 67.2 142.0 -79.9 65.1 14.6 14.0 26.6 177 177 A S + 0 0 0 -2,-2.4 14,-1.3 1,-0.2 2,-0.5 0.573 55.8 57.5 -84.7 -13.3 18.2 14.3 25.2 178 178 A Y S S+ 0 0 45 -3,-0.3 2,-0.3 12,-0.2 -1,-0.2 -0.808 70.9 136.4-124.1 93.2 17.2 15.3 21.7 179 179 A T > - 0 0 17 -2,-0.5 5,-2.7 -3,-0.1 6,-0.5 -0.959 56.6-126.3-135.9 153.6 15.1 18.4 21.5 180 180 A T T > 5S+ 0 0 128 -2,-0.3 3,-1.6 -87,-0.3 5,-0.2 0.905 110.3 52.2 -62.2 -47.0 14.9 21.6 19.4 181 181 A S T 3 5S+ 0 0 90 1,-0.3 -1,-0.2 2,-0.1 -56,-0.1 0.772 110.9 47.9 -62.9 -28.1 15.1 24.0 22.4 182 182 A D T 3 5S- 0 0 3 -3,-0.2 -1,-0.3 -58,-0.1 -2,-0.2 0.337 111.7-122.1 -94.7 6.0 18.2 22.2 23.7 183 183 A G T < 5S+ 0 0 56 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.803 84.6 112.1 58.1 30.0 19.8 22.4 20.2 184 184 A T < + 0 0 2 -5,-2.7 -4,-0.2 4,-0.1 -1,-0.1 0.084 36.4 135.2-120.3 22.0 20.1 18.6 20.3 185 185 A G > - 0 0 25 -6,-0.5 3,-2.3 -7,-0.2 -6,-0.1 -0.310 61.5 -30.9 -69.6 156.2 17.6 17.6 17.6 186 186 A Y T 3 S+ 0 0 125 1,-0.3 -1,-0.2 -8,-0.2 3,-0.1 -0.131 127.5 16.1 -46.9 139.5 18.5 15.0 15.0 187 187 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.784 101.5 100.5-104.5 36.3 21.2 14.4 14.0 188 188 A S S < S- 0 0 55 -3,-2.3 -4,-0.1 1,-0.1 105,-0.1 -0.216 81.7 -90.3 -73.9 165.3 23.1 16.2 16.7 189 189 A R - 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0 0 40 -5,-1.4 -1,-0.2 -6,-0.3 -2,-0.1 -0.441 62.5-137.0-106.1-179.3 41.1 11.0 40.8 224 224 A K + 0 0 184 -2,-0.1 2,-0.1 -3,-0.1 -9,-0.1 -0.337 31.5 172.2-134.2 49.2 42.0 13.7 43.2 225 225 A L - 0 0 41 -11,-0.2 -7,-0.1 1,-0.1 3,-0.1 -0.380 24.6-149.5 -61.6 136.6 38.6 15.3 44.0 226 226 A I + 0 0 163 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.721 69.9 0.9 -84.7 -21.4 39.0 17.8 46.8 227 227 A S S > S- 0 0 37 -13,-0.1 3,-1.9 1,-0.1 4,-0.2 -0.977 76.7 -96.7-157.8 168.5 35.5 17.5 48.3 228 228 A E G > S+ 0 0 93 -2,-0.3 3,-1.4 1,-0.3 -20,-0.1 0.776 118.0 65.0 -60.5 -26.8 32.2 15.6 48.0 229 229 A L G 3 S+ 0 0 121 1,-0.3 -1,-0.3 3,-0.0 -25,-0.0 0.650 89.3 66.8 -72.7 -12.4 30.8 18.6 46.0 230 230 A A G < S+ 0 0 37 -3,-1.9 2,-1.0 2,-0.1 -1,-0.3 0.567 75.3 97.7 -83.1 -9.1 33.3 17.8 43.3 231 231 A I < + 0 0 0 -3,-1.4 -27,-0.1 -4,-0.2 -24,-0.1 -0.736 60.4 140.5 -80.5 105.3 31.5 14.6 42.6 232 232 A L - 0 0 67 -2,-1.0 3,-0.1 -29,-0.1 -37,-0.1 -0.917 56.4 -92.5-144.8 166.7 29.3 15.8 39.7 233 233 A P S S- 0 0 7 0, 0.0 -1,-0.0 0, 0.0 -33,-0.0 -0.265 76.4 -54.9 -72.8 171.2 27.9 14.7 36.3 234 234 A P - 0 0 8 0, 0.0 3,-0.2 0, 0.0 -42,-0.1 -0.232 44.0-162.6 -52.8 126.3 30.0 15.5 33.2 235 235 A S S S+ 0 0 126 1,-0.3 2,-0.4 -3,-0.1 0, 0.0 0.642 87.3 40.1 -84.1 -15.9 30.8 19.3 33.0 236 236 A D > - 0 0 61 1,-0.1 4,-2.4 2,-0.0 -1,-0.3 -0.866 69.2-169.1-135.3 98.0 31.7 19.0 29.3 237 237 A G H > S+ 0 0 1 -2,-0.4 4,-2.1 -3,-0.2 5,-0.2 0.875 86.8 52.3 -53.7 -44.4 29.4 16.6 27.4 238 238 A E H > S+ 0 0 66 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.937 110.7 45.8 -60.0 -50.9 31.6 16.6 24.4 239 239 A Q H >>S+ 0 0 109 1,-0.2 4,-2.5 2,-0.2 5,-1.8 0.902 111.1 53.1 -62.0 -41.0 34.7 15.6 26.2 240 240 A F H <>S+ 0 0 9 -4,-2.4 5,-2.5 1,-0.2 -1,-0.2 0.914 111.3 46.3 -60.1 -42.3 32.9 12.9 28.2 241 241 A L H <5S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.753 112.4 52.4 -71.6 -23.9 31.6 11.4 25.0 242 242 A M H <5S- 0 0 78 -4,-1.6 -2,-0.2 58,-0.2 -1,-0.2 0.897 142.1 -31.8 -78.5 -43.2 35.1 11.6 23.4 243 243 A N T ><5S+ 0 0 93 -4,-2.5 3,-1.4 -5,-0.1 4,-0.4 0.474 115.5 87.4-152.1 -22.2 37.1 9.8 26.2 244 244 A G G > S- 0 0 52 -3,-1.3 4,-2.6 -4,-0.4 5,-0.2 -0.212 93.4-106.0 -82.6 172.7 37.3 5.7 32.6 248 248 A M H > S+ 0 0 85 2,-0.2 4,-2.5 -27,-0.2 5,-0.2 0.882 124.1 52.2 -65.2 -37.2 36.1 4.1 35.9 249 249 A Y H > S+ 0 0 40 -28,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.952 110.3 48.3 -61.1 -49.4 34.3 7.5 36.6 250 250 A G H > S+ 0 0 0 -6,-0.6 4,-2.3 1,-0.2 -2,-0.2 0.890 110.6 50.2 -58.1 -42.7 32.7 7.3 33.2 251 251 A K H X S+ 0 0 124 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.927 113.1 47.0 -63.5 -43.4 31.5 3.8 33.7 252 252 A D H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.911 110.7 51.0 -64.3 -44.4 30.1 4.7 37.1 253 253 A Y H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.939 113.9 44.2 -58.8 -48.0 28.3 7.8 35.9 254 254 A L H X S+ 0 0 5 -4,-2.3 4,-2.9 2,-0.2 5,-0.4 0.845 109.5 56.6 -66.2 -35.2 26.7 5.8 33.0 255 255 A E H X S+ 0 0 97 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.947 113.3 40.8 -60.3 -47.5 25.8 3.0 35.4 256 256 A W H X S+ 0 0 14 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.935 115.4 51.7 -63.6 -48.7 23.9 5.4 37.6 257 257 A Y H X S+ 0 0 2 -4,-2.9 4,-0.7 1,-0.2 3,-0.5 0.938 118.5 34.4 -55.9 -55.3 22.4 7.3 34.6 258 258 A Q H >X S+ 0 0 7 -4,-2.9 4,-1.9 1,-0.2 3,-0.6 0.850 110.4 67.4 -70.3 -33.2 21.0 4.2 32.8 259 259 A G H 3X S+ 0 0 13 -4,-2.1 4,-2.6 -5,-0.4 -1,-0.2 0.813 92.4 59.8 -55.6 -34.2 20.3 2.6 36.2 260 260 A I H 3X S+ 0 0 12 -4,-1.5 4,-2.2 -3,-0.5 -1,-0.2 0.900 106.7 46.4 -61.9 -41.4 17.6 5.3 36.9 261 261 A L H S+ 0 0 1 -4,-3.2 4,-3.3 -5,-0.2 5,-1.4 0.763 96.5 82.1-106.1 -28.1 -4.2 -4.5 35.6 277 277 A D T <5S+ 0 0 67 -4,-2.3 -3,-0.1 -5,-0.4 -2,-0.1 0.863 101.6 36.4 -49.1 -47.5 -3.4 -8.2 36.2 278 278 A T T 45S+ 0 0 131 -5,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.923 122.9 42.6 -74.6 -43.1 -6.6 -9.1 38.0 279 279 A T T 45S+ 0 0 33 -4,-0.3 -2,-0.2 1,-0.1 -1,-0.1 0.905 137.0 7.7 -69.9 -43.0 -9.0 -6.9 36.0 280 280 A F T <5S- 0 0 4 -4,-3.3 -3,-0.2 2,-0.1 -2,-0.1 0.789 71.0-157.5-110.6 -39.8 -7.5 -7.6 32.5 281 281 A Q < + 0 0 155 -5,-1.4 -4,-0.1 1,-0.2 -3,-0.1 0.945 48.1 132.7 56.9 50.2 -4.9 -10.4 32.7 282 282 A V - 0 0 25 -6,-0.1 -1,-0.2 1,-0.1 -120,-0.2 -0.850 63.5 -83.3-125.8 161.9 -3.3 -9.3 29.5 283 283 A P - 0 0 62 0, 0.0 -120,-2.2 0, 0.0 2,-0.4 -0.299 39.6-150.5 -66.1 153.6 0.4 -8.7 28.6 284 284 A I E +f 163 0A 2 40,-0.4 42,-2.7 -122,-0.2 2,-0.3 -0.967 18.5 175.5-125.2 140.8 2.0 -5.3 29.5 285 285 A G E -fh 164 326A 0 -122,-2.1 -120,-2.6 -2,-0.4 2,-0.3 -0.911 17.7-155.0-142.6 169.7 4.8 -3.7 27.6 286 286 A A E - h 0 327A 1 40,-2.2 42,-1.4 -2,-0.3 2,-0.3 -0.909 23.4-114.8-138.7 165.8 7.0 -0.6 27.3 287 287 A K E -gh 172 328A 25 -116,-0.5 -114,-3.2 -122,-0.5 2,-0.4 -0.801 11.5-160.4-114.1 150.6 9.0 1.1 24.5 288 288 A I - 0 0 3 40,-2.4 42,-0.1 -2,-0.3 2,-0.1 -0.989 26.5-127.0-123.1 130.1 12.6 1.8 23.7 289 289 A A - 0 0 11 -2,-0.4 2,-1.2 -116,-0.3 -118,-0.0 -0.446 14.9-122.1 -78.6 150.5 13.5 4.5 21.2 290 290 A G - 0 0 8 -2,-0.1 2,-1.7 1,-0.1 3,-0.2 -0.724 29.4-179.7 -94.2 87.8 15.7 3.9 18.2 291 291 A V + 0 0 0 -2,-1.2 14,-0.2 1,-0.2 13,-0.2 -0.620 17.2 157.2 -88.4 79.4 18.5 6.4 18.7 292 292 A H > + 0 0 12 -2,-1.7 53,-1.9 12,-0.1 3,-0.8 0.583 35.6 96.5 -83.2 -13.9 20.4 5.4 15.5 293 293 A W T 3 S+ 0 0 14 1,-0.2 11,-0.5 51,-0.2 12,-0.4 -0.494 86.8 17.1 -82.8 153.0 22.3 8.6 14.8 294 294 A Q T > S+ 0 0 11 48,-3.0 9,-1.4 -2,-0.2 8,-0.8 0.673 84.9 135.6 62.3 20.3 26.0 9.2 15.9 295 295 A Y T < S+ 0 0 36 48,-1.7 7,-1.0 -3,-0.8 49,-0.2 0.941 78.9 20.8 -61.0 -52.1 26.1 5.4 16.3 296 296 A N T 3 S+ 0 0 63 47,-0.9 -1,-0.2 5,-0.2 47,-0.1 -0.036 83.3 143.4-111.0 30.4 29.5 5.0 14.7 297 297 A N < - 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