==== 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 02-NOV-03 1V3H . COMPND 2 MOLECULE: BETA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR Y.N.KANG,M.ADACHI,S.UTSUMI,B.MIKAMI . 491 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18704.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 34 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 0 2 0 1 1 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 1 0 6 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 0 PARALLEL BRIDGES PER LADDER . 4 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 5 A S > 0 0 124 0, 0.0 4,-1.0 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -65.0 -7.8 62.7 12.0 2 6 A N T 4 + 0 0 66 1,-0.2 3,-0.4 2,-0.2 4,-0.2 0.859 360.0 56.3 -60.1 -36.6 -6.9 62.9 15.7 3 7 A M T >4 S+ 0 0 38 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.864 99.8 58.6 -64.7 -35.8 -8.8 59.6 16.3 4 8 A L G >4 S+ 0 0 36 -3,-0.4 3,-1.5 1,-0.3 -1,-0.2 0.812 96.4 61.9 -64.8 -28.4 -6.7 57.8 13.7 5 9 A L G 3< S+ 0 0 61 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.586 99.6 57.4 -72.4 -6.9 -3.6 58.7 15.7 6 10 A N G < S+ 0 0 1 -3,-1.7 -1,-0.3 -4,-0.2 433,-0.2 0.420 80.0 126.6 -99.3 -2.6 -5.2 56.6 18.5 7 11 A Y < - 0 0 5 -3,-1.5 431,-0.2 431,-0.2 430,-0.1 -0.346 40.5-167.8 -61.8 127.1 -5.5 53.5 16.2 8 12 A V - 0 0 1 429,-2.0 403,-0.1 -2,-0.1 402,-0.1 -0.981 23.8-123.5-118.5 118.7 -3.9 50.3 17.6 9 13 A P - 0 0 0 0, 0.0 403,-1.9 0, 0.0 2,-0.4 -0.249 18.9-147.2 -63.9 148.3 -3.5 47.5 15.1 10 14 A V E -a 412 0A 0 32,-0.2 34,-2.0 401,-0.2 35,-1.3 -0.965 14.5-175.8-120.1 131.9 -5.0 44.1 15.6 11 15 A Y E -ab 413 45A 7 401,-2.7 403,-3.3 -2,-0.4 2,-0.4 -0.845 13.6-143.7-121.7 159.5 -3.5 40.8 14.4 12 16 A V E -ab 414 46A 0 33,-1.6 35,-1.9 -2,-0.3 2,-0.2 -0.992 17.2-124.4-129.1 130.3 -4.9 37.3 14.6 13 17 A M E - b 0 47A 8 401,-3.0 404,-3.1 -2,-0.4 403,-0.3 -0.501 28.6-126.2 -71.2 137.0 -2.9 34.1 15.2 14 18 A L - 0 0 3 33,-2.9 35,-0.1 -2,-0.2 -1,-0.1 -0.350 39.8 -79.7 -77.6 163.1 -3.3 31.5 12.6 15 19 A P > - 0 0 38 0, 0.0 3,-1.4 0, 0.0 2,-0.2 -0.328 52.8-102.1 -62.7 144.5 -4.3 27.9 13.5 16 20 A L T 3 S+ 0 0 23 1,-0.2 4,-0.1 2,-0.1 32,-0.0 -0.482 108.1 24.6 -67.1 136.0 -1.5 25.8 14.9 17 21 A G T 3 + 0 0 15 2,-0.2 9,-0.3 -2,-0.2 -1,-0.2 0.610 68.0 144.9 86.3 11.7 -0.3 23.4 12.2 18 22 A V S < S+ 0 0 19 -3,-1.4 2,-0.6 1,-0.2 8,-0.6 0.872 85.8 36.8 -48.7 -37.0 -1.5 25.5 9.2 19 23 A V B S-J 25 0B 0 6,-0.2 6,-0.2 7,-0.1 -1,-0.2 -0.988 106.1-134.6-112.9 118.6 1.7 24.0 7.7 20 24 A N > - 0 0 22 4,-2.7 3,-2.5 -2,-0.6 4,-0.3 -0.110 24.7 -92.6 -74.7 174.2 1.9 20.4 9.0 21 25 A V T 3 S+ 0 0 51 1,-0.3 -1,-0.1 2,-0.2 80,-0.0 0.680 125.6 58.3 -57.8 -20.1 4.8 18.5 10.5 22 26 A D T 3 S- 0 0 121 2,-0.2 -1,-0.3 35,-0.0 -2,-0.1 0.271 121.1-108.2 -93.9 11.2 5.6 17.1 7.0 23 27 A N S < S+ 0 0 19 -3,-2.5 2,-0.4 1,-0.2 44,-0.2 0.922 74.0 138.2 62.8 47.9 6.0 20.7 5.7 24 28 A V - 0 0 74 -4,-0.3 -4,-2.7 43,-0.1 2,-1.7 -0.989 57.3-135.3-125.6 130.7 2.8 20.6 3.7 25 29 A F B -J 19 0B 25 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.694 33.1-171.1 -84.4 87.6 0.3 23.6 3.6 26 30 A E + 0 0 132 -2,-1.7 -1,-0.2 -8,-0.6 -7,-0.1 0.877 62.8 19.7 -48.4 -61.1 -2.7 21.3 4.0 27 31 A D > + 0 0 93 -9,-0.4 4,-2.1 1,-0.2 -1,-0.2 -0.646 57.8 157.9-124.8 78.6 -5.8 23.4 3.4 28 32 A P H > S+ 0 0 48 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.894 80.1 52.1 -63.7 -41.7 -5.2 26.6 1.5 29 33 A D H > S+ 0 0 126 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.904 110.8 47.2 -63.1 -42.3 -8.8 26.9 0.3 30 34 A G H > S+ 0 0 23 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.936 114.2 46.6 -64.7 -46.0 -10.1 26.6 3.9 31 35 A L H X S+ 0 0 6 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.915 107.2 59.0 -62.3 -43.2 -7.6 29.1 5.2 32 36 A K H X S+ 0 0 95 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.920 104.1 49.8 -52.5 -49.5 -8.4 31.5 2.4 33 37 A E H X S+ 0 0 114 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.901 112.9 47.6 -58.4 -40.3 -12.0 31.7 3.3 34 38 A Q H X S+ 0 0 29 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.926 111.4 49.6 -66.6 -45.8 -11.1 32.4 6.9 35 39 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.874 107.2 54.7 -62.3 -38.7 -8.6 35.1 6.0 36 40 A L H X S+ 0 0 69 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.859 106.7 52.4 -64.3 -33.2 -11.0 36.9 3.7 37 41 A Q H X S+ 0 0 80 -4,-1.3 4,-1.6 -5,-0.2 -1,-0.2 0.895 109.9 48.1 -68.0 -38.6 -13.4 37.1 6.7 38 42 A L H <>S+ 0 0 0 -4,-1.8 5,-2.0 2,-0.2 4,-0.4 0.902 109.9 53.0 -67.1 -39.9 -10.7 38.6 8.8 39 43 A R H ><5S+ 0 0 43 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.936 110.5 46.5 -60.2 -47.3 -9.9 41.1 6.0 40 44 A A H 3<5S+ 0 0 92 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.817 107.2 59.3 -65.8 -29.3 -13.6 42.2 5.8 41 45 A A T 3<5S- 0 0 15 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.538 120.0-108.6 -77.2 -7.2 -13.7 42.4 9.6 42 46 A G T < 5 + 0 0 9 -3,-1.4 -32,-0.2 -4,-0.4 402,-0.2 0.477 60.3 159.7 95.2 2.0 -10.9 45.0 9.6 43 47 A V < - 0 0 0 -5,-2.0 -1,-0.3 1,-0.1 -32,-0.2 -0.318 33.3-148.3 -58.8 137.5 -8.1 42.9 11.0 44 48 A D - 0 0 5 -34,-2.0 37,-1.6 1,-0.2 2,-0.3 0.902 61.4 -36.6 -78.4 -40.9 -4.7 44.3 10.1 45 49 A G E -bc 11 81A 0 -35,-1.3 -33,-1.6 35,-0.3 2,-0.3 -0.912 54.4-107.9-163.8-171.3 -2.7 41.1 9.9 46 50 A V E -bc 12 82A 0 35,-2.5 37,-2.5 -35,-0.3 2,-0.4 -0.869 16.5-136.2-132.3 165.2 -2.0 37.6 11.2 47 51 A M E +bc 13 83A 3 -35,-1.9 -33,-2.9 -2,-0.3 2,-0.3 -0.953 22.7 178.3-123.2 142.2 0.7 35.8 13.2 48 52 A V E - c 0 84A 8 35,-2.1 37,-2.7 -2,-0.4 2,-0.4 -0.999 29.5-120.0-146.8 147.1 2.2 32.4 12.5 49 53 A D E - c 0 85A 20 -2,-0.3 2,-0.9 35,-0.2 37,-0.1 -0.713 15.4-155.8 -82.3 129.9 4.8 30.1 13.9 50 54 A V E - c 0 86A 1 35,-2.5 37,-1.3 -2,-0.4 2,-0.3 -0.834 28.5-142.2-106.7 87.8 7.6 29.3 11.4 51 55 A W E >> - c 0 87A 8 -2,-0.9 4,-2.5 1,-0.1 3,-1.4 -0.360 17.9-157.4 -63.4 117.9 8.6 26.0 13.0 52 56 A W H 3> S+ 0 0 0 35,-2.8 4,-2.2 -2,-0.3 -1,-0.1 0.890 95.7 59.1 -57.4 -41.7 12.2 25.1 13.2 53 57 A G H 34 S+ 0 0 3 34,-0.4 -1,-0.3 36,-0.4 52,-0.2 0.652 111.6 40.7 -64.5 -16.6 11.3 21.5 13.5 54 58 A I H X4 S+ 0 0 3 -3,-1.4 3,-0.9 47,-0.1 4,-0.2 0.870 118.1 43.1 -94.3 -51.3 9.4 21.6 10.2 55 59 A I H 3< S+ 0 0 2 -4,-2.5 9,-1.2 1,-0.2 3,-0.3 0.905 123.1 32.1 -63.0 -50.1 11.8 23.7 8.1 56 60 A E T 3< S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 6,-0.2 -0.129 82.9 120.2-104.3 38.4 15.2 22.3 9.1 57 61 A L < + 0 0 70 -3,-0.9 49,-0.5 1,-0.2 -1,-0.2 0.905 63.2 61.0 -68.1 -44.6 14.0 18.7 9.6 58 62 A K S S- 0 0 162 4,-0.5 -1,-0.2 -3,-0.3 5,-0.1 0.853 118.9 -69.9 -53.3 -42.9 16.1 16.9 7.0 59 63 A G S > S- 0 0 7 3,-0.4 3,-2.4 -3,-0.1 -1,-0.2 -0.957 79.9 -20.0 167.4-179.2 19.4 17.9 8.6 60 64 A P T 3 S- 0 0 52 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.238 129.9 -7.4 -52.3 125.8 21.8 20.8 9.2 61 65 A K T 3 S+ 0 0 123 1,-0.2 2,-1.3 -5,-0.1 -5,-0.0 0.634 94.3 133.3 60.0 17.8 21.1 23.7 6.9 62 66 A Q < + 0 0 97 -3,-2.4 -4,-0.5 -6,-0.2 -3,-0.4 -0.663 35.9 174.8 -94.7 75.6 18.7 21.5 4.9 63 67 A Y - 0 0 51 -2,-1.3 2,-0.5 -7,-0.1 -7,-0.2 -0.664 23.0-169.2 -90.5 140.1 15.9 24.1 4.8 64 68 A D + 0 0 40 -9,-1.2 4,-0.2 -2,-0.3 3,-0.2 -0.930 14.6 165.5-126.9 104.6 12.6 23.7 2.9 65 69 A W > + 0 0 11 -2,-0.5 4,-2.0 1,-0.1 5,-0.2 0.363 46.0 102.7 -99.2 2.8 10.8 27.0 2.7 66 70 A R H > S+ 0 0 181 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.898 79.3 45.9 -56.0 -51.3 8.3 26.0 -0.0 67 71 A A H > S+ 0 0 10 -44,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.904 115.1 48.5 -62.3 -40.6 5.2 25.4 2.0 68 72 A Y H > S+ 0 0 1 2,-0.2 4,-2.9 -4,-0.2 -1,-0.2 0.836 106.0 56.9 -69.9 -30.2 5.7 28.6 4.0 69 73 A R H X S+ 0 0 79 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.911 107.5 49.6 -65.0 -38.3 6.2 30.6 0.8 70 74 A S H X S+ 0 0 67 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.876 111.2 49.2 -65.9 -37.1 2.8 29.4 -0.3 71 75 A L H X S+ 0 0 1 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.946 111.6 47.3 -67.3 -48.4 1.3 30.4 3.0 72 76 A L H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.885 109.0 55.9 -60.6 -37.8 2.8 33.9 2.9 73 77 A Q H X S+ 0 0 66 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.911 109.2 46.5 -60.5 -42.9 1.6 34.3 -0.8 74 78 A L H X S+ 0 0 13 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.919 110.0 52.4 -66.3 -43.9 -1.9 33.6 0.4 75 79 A V H <>S+ 0 0 0 -4,-2.4 5,-1.9 1,-0.2 -2,-0.2 0.922 111.0 48.4 -58.0 -43.3 -1.7 36.0 3.3 76 80 A Q H ><5S+ 0 0 73 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.915 108.7 53.1 -63.2 -43.5 -0.5 38.7 0.9 77 81 A E H 3<5S+ 0 0 125 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.855 106.0 54.6 -61.3 -33.4 -3.3 37.9 -1.6 78 82 A C T 3<5S- 0 0 6 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.355 117.0-113.9 -84.1 7.3 -5.9 38.3 1.2 79 83 A G T < 5S+ 0 0 36 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.810 71.8 128.9 67.7 34.2 -4.5 41.8 2.1 80 84 A L < - 0 0 5 -5,-1.9 -35,-0.3 -35,-0.0 -1,-0.2 -0.867 51.3-133.0-119.2 150.7 -3.1 41.0 5.5 81 85 A T E -c 45 0A 36 -37,-1.6 -35,-2.5 -2,-0.3 2,-0.4 -0.449 26.1-127.7 -91.9 175.3 0.3 41.7 7.0 82 86 A L E -cd 46 170A 0 87,-2.6 89,-2.3 -37,-0.2 90,-1.0 -0.980 16.2-158.8-136.1 140.0 2.3 39.1 8.9 83 87 A Q E -cd 47 172A 6 -37,-2.5 -35,-2.1 -2,-0.4 2,-0.6 -0.968 27.5-156.6-108.8 111.9 4.1 38.7 12.2 84 88 A A E -cd 48 173A 0 88,-2.1 90,-2.3 -2,-0.6 2,-0.5 -0.839 1.8-152.6 -98.9 120.6 6.5 35.8 11.6 85 89 A I E -cd 49 174A 5 -37,-2.7 -35,-2.5 -2,-0.6 2,-1.5 -0.775 11.7-143.0 -92.6 127.3 7.7 33.9 14.7 86 90 A M E -cd 50 175A 0 88,-3.0 90,-1.4 -2,-0.5 2,-1.2 -0.756 29.3-161.7 -85.0 92.7 11.1 32.2 14.4 87 91 A S E +c 51 0A 0 -2,-1.5 -35,-2.8 -37,-1.3 -34,-0.4 -0.664 27.2 166.3 -89.5 93.0 9.8 29.2 16.4 88 92 A F + 0 0 0 -2,-1.2 43,-0.4 -37,-0.2 2,-0.3 -0.062 56.3 80.9 -92.6 31.3 12.8 27.3 17.8 89 93 A H S S- 0 0 7 41,-0.1 -36,-0.4 13,-0.1 2,-0.3 -0.810 81.5 -96.3-133.1 172.8 10.6 25.4 20.1 90 94 A Q - 0 0 47 39,-1.9 2,-0.5 -2,-0.3 90,-0.5 -0.644 24.1-145.4 -91.6 145.2 8.2 22.4 20.3 91 95 A C B S+K 101 0C 1 10,-2.3 10,-2.5 -2,-0.3 -40,-0.0 -0.924 71.5 60.1-106.7 133.8 4.5 22.6 19.9 92 96 A G S S+ 0 0 21 -2,-0.5 -1,-0.1 8,-0.2 8,-0.1 0.016 83.6 62.9 146.7 -40.4 2.5 20.1 22.0 93 97 A G S S+ 0 0 15 -3,-0.2 97,-0.6 2,-0.1 98,-0.4 0.430 86.4 80.4 -99.4 1.8 3.1 20.3 25.8 94 98 A N S > S- 0 0 17 1,-0.1 3,-2.4 96,-0.1 -2,-0.1 -0.696 95.6 -67.1-108.3 162.0 1.7 23.7 26.5 95 99 A V T 3 S+ 0 0 89 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.106 119.3 8.3 -46.5 128.4 -1.8 25.0 27.0 96 100 A G T 3 S+ 0 0 57 1,-0.2 2,-1.0 -4,-0.1 -1,-0.3 0.295 83.6 142.4 84.0 -10.7 -3.8 24.9 23.8 97 101 A D < + 0 0 38 -3,-2.4 -1,-0.2 1,-0.2 -6,-0.0 -0.520 14.8 166.2 -69.0 102.1 -1.3 22.9 21.8 98 102 A I + 0 0 151 -2,-1.0 2,-0.3 -3,-0.1 -1,-0.2 0.290 59.7 56.8-100.1 8.1 -3.5 20.6 19.7 99 103 A V S S- 0 0 42 2,-0.0 2,-0.7 -79,-0.0 -82,-0.1 -0.991 77.6-130.4-138.2 144.5 -0.7 19.6 17.3 100 104 A N + 0 0 126 -2,-0.3 -8,-0.2 -8,-0.1 -79,-0.1 -0.870 32.8 161.8-101.6 116.2 2.7 18.0 18.0 101 105 A I B -K 91 0C 1 -10,-2.5 -10,-2.3 -2,-0.7 -48,-0.2 -0.866 17.3-168.1-133.8 97.1 5.6 19.6 16.3 102 106 A P - 0 0 47 0, 0.0 3,-0.1 0, 0.0 27,-0.1 -0.227 31.5 -93.4 -79.4 173.1 9.0 18.7 17.9 103 107 A I S S- 0 0 1 25,-0.4 5,-0.1 1,-0.2 -15,-0.1 -0.331 74.7 -51.5 -75.5 170.0 12.3 20.4 17.2 104 108 A P >> - 0 0 0 0, 0.0 4,-1.9 0, 0.0 3,-1.1 -0.106 46.5-134.2 -47.0 134.2 14.5 18.8 14.4 105 109 A Q H 3> S+ 0 0 97 1,-0.3 4,-2.4 -52,-0.2 5,-0.2 0.858 105.3 60.5 -59.7 -36.1 15.0 15.0 14.8 106 110 A W H 3> S+ 0 0 19 -49,-0.5 4,-1.0 1,-0.2 -1,-0.3 0.799 106.3 47.7 -63.9 -25.2 18.7 15.4 14.0 107 111 A V H <> S+ 0 0 0 -3,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.888 110.4 51.0 -78.6 -41.0 18.9 17.7 17.1 108 112 A L H X S+ 0 0 24 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.837 104.8 58.5 -63.9 -32.4 17.0 15.2 19.2 109 113 A D H >X S+ 0 0 92 -4,-2.4 4,-0.7 1,-0.2 3,-0.5 0.906 106.1 47.5 -63.3 -40.9 19.4 12.5 18.0 110 114 A I H >X S+ 0 0 22 -4,-1.0 4,-1.5 1,-0.2 3,-0.9 0.877 106.2 59.7 -66.3 -36.0 22.3 14.5 19.5 111 115 A G H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.757 95.0 63.4 -63.4 -25.1 20.2 14.8 22.6 112 116 A E H << S+ 0 0 112 -4,-1.1 3,-0.3 -3,-0.5 -1,-0.3 0.841 111.8 35.6 -68.2 -32.0 20.1 11.0 22.9 113 117 A S H << S+ 0 0 104 -3,-0.9 2,-0.3 -4,-0.7 -2,-0.2 0.631 130.2 34.4 -93.7 -17.7 23.9 11.0 23.4 114 118 A N >< + 0 0 27 -4,-1.5 3,-1.3 -5,-0.1 -1,-0.3 -0.732 62.7 177.2-139.9 85.4 24.0 14.3 25.3 115 119 A H G > S+ 0 0 88 -3,-0.3 3,-1.2 -2,-0.3 -4,-0.1 0.643 71.5 78.9 -63.9 -15.0 20.9 14.6 27.5 116 120 A D G 3 + 0 0 27 1,-0.2 92,-0.4 90,-0.1 -1,-0.3 0.352 68.9 81.0 -79.4 7.7 22.3 17.9 28.9 117 121 A I G < S+ 0 0 0 -3,-1.3 15,-2.2 -6,-0.2 2,-0.3 0.524 86.7 74.9 -86.6 -3.9 21.2 19.9 25.9 118 122 A F E < S-L 131 0D 3 -3,-1.2 13,-0.2 13,-0.2 10,-0.1 -0.811 97.6 -97.2-109.5 147.9 17.7 20.0 27.4 119 123 A Y E -L 127 0D 1 11,-0.8 8,-2.6 8,-0.7 2,-0.4 -0.396 48.7-162.9 -59.3 135.0 16.4 22.1 30.3 120 124 A T E -L 126 0D 4 83,-0.4 85,-2.2 6,-0.2 86,-0.3 -0.971 10.8-146.2-129.4 139.2 16.6 19.8 33.4 121 125 A N > - 0 0 4 4,-1.3 3,-1.7 -2,-0.4 82,-0.1 -0.391 41.2 -90.6 -94.2 176.6 14.9 20.0 36.8 122 126 A R T 3 S+ 0 0 136 80,-0.4 81,-0.1 1,-0.3 -1,-0.1 0.843 125.3 57.8 -56.2 -36.8 16.3 18.8 40.1 123 127 A S T 3 S- 0 0 89 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.657 119.0-110.4 -69.3 -16.2 14.9 15.3 39.7 124 128 A G < + 0 0 37 -3,-1.7 2,-0.2 1,-0.3 -2,-0.1 0.530 62.7 153.6 99.6 7.2 16.8 14.9 36.5 125 129 A T - 0 0 63 1,-0.1 -4,-1.3 67,-0.0 2,-0.5 -0.512 36.9-138.4 -73.4 136.2 13.9 15.1 34.0 126 130 A R E -L 120 0D 76 -2,-0.2 2,-0.6 -6,-0.2 -6,-0.2 -0.851 7.1-153.5-100.3 124.1 14.8 16.3 30.5 127 131 A N E > -L 119 0D 9 -8,-2.6 -8,-0.7 -2,-0.5 3,-0.5 -0.864 5.9-168.1 -97.0 117.4 12.4 18.7 28.8 128 132 A K E 3 + 0 0 87 -2,-0.6 -25,-0.4 1,-0.2 -1,-0.1 0.239 62.4 94.9 -92.1 15.7 12.8 18.3 25.0 129 133 A E E 3 S+ 0 0 3 1,-0.2 -39,-1.9 -10,-0.1 2,-0.3 0.621 95.7 5.6 -82.6 -11.5 10.8 21.4 24.0 130 134 A Y E < S- 0 0 0 -3,-0.5 -11,-0.8 -41,-0.2 2,-0.4 -0.968 79.1-100.0-166.6 151.0 13.8 23.8 23.7 131 135 A L E -L 118 0D 0 -43,-0.4 -13,-0.2 -2,-0.3 -14,-0.1 -0.636 48.3-107.1 -80.8 130.8 17.6 23.7 23.9 132 136 A T > - 0 0 0 -15,-2.2 3,-2.2 -2,-0.4 4,-0.1 -0.168 18.0-122.3 -55.8 145.4 19.0 24.9 27.2 133 137 A V G > S+ 0 0 8 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.774 108.0 79.8 -57.6 -23.2 20.6 28.4 27.3 134 138 A G G 3 S+ 0 0 14 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.749 94.8 41.6 -57.1 -26.8 23.5 26.3 28.6 135 139 A V G X S+ 0 0 0 -3,-2.2 11,-1.6 -18,-0.2 3,-1.4 0.219 77.4 113.2-107.7 15.4 24.4 25.2 25.1 136 140 A D T < S+ 0 0 3 -3,-1.9 11,-2.4 1,-0.3 12,-0.4 0.883 95.8 22.1 -50.3 -43.5 23.9 28.6 23.4 137 141 A N T 3 S+ 0 0 98 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.023 94.8 113.2-117.8 26.8 27.6 28.8 22.7 138 142 A E < - 0 0 75 -3,-1.4 2,-2.3 6,-0.1 3,-0.3 -0.895 61.8-142.5-100.2 117.5 28.6 25.1 22.8 139 143 A P + 0 0 79 0, 0.0 4,-0.4 0, 0.0 6,-0.3 -0.312 63.7 119.8 -77.8 60.2 29.7 23.9 19.3 140 144 A I + 0 0 45 -2,-2.3 2,-0.9 4,-0.2 5,-0.2 0.341 42.4 87.6-107.4 4.3 28.1 20.5 19.8 141 145 A F B > S-M 144 0E 0 3,-2.5 3,-2.0 -3,-0.3 -1,-0.1 -0.695 126.1 -55.9-107.7 79.7 25.6 20.4 17.0 142 146 A H T 3 S- 0 0 133 -2,-0.9 -2,-0.1 1,-0.3 -1,-0.1 0.911 116.2 -40.6 50.6 45.8 27.7 19.0 14.1 143 147 A G T 3 S+ 0 0 57 -4,-0.4 -1,-0.3 1,-0.3 2,-0.3 0.165 122.0 102.4 93.5 -18.8 30.1 21.9 14.7 144 148 A R B < -M 141 0E 23 -3,-2.0 -3,-2.5 -5,-0.0 -1,-0.3 -0.677 63.6-132.8-100.6 154.6 27.6 24.6 15.3 145 149 A T > - 0 0 14 -6,-0.3 4,-1.8 -2,-0.3 -8,-0.2 -0.494 33.6-104.9 -91.9 169.6 26.4 26.2 18.6 146 150 A A H > S+ 0 0 0 -11,-1.6 4,-2.2 -8,-0.3 -10,-0.2 0.922 122.1 51.1 -63.5 -42.6 22.7 26.6 19.3 147 151 A I H > S+ 0 0 9 -11,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.874 107.2 53.6 -64.2 -34.7 22.9 30.4 18.6 148 152 A E H > S+ 0 0 87 -12,-0.4 4,-3.0 2,-0.2 5,-0.2 0.886 106.6 52.9 -66.4 -35.8 24.6 29.7 15.3 149 153 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.948 112.1 44.7 -61.9 -47.3 21.7 27.4 14.4 150 154 A Y H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.916 114.2 50.0 -62.9 -43.0 19.2 30.2 15.2 151 155 A S H X S+ 0 0 18 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.940 111.0 47.3 -61.4 -49.7 21.3 32.7 13.3 152 156 A D H X S+ 0 0 39 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.879 111.0 53.5 -60.4 -38.1 21.6 30.6 10.2 153 157 A Y H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.940 110.6 44.9 -62.3 -49.6 17.9 29.9 10.3 154 158 A M H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.877 112.6 51.6 -64.8 -37.5 17.0 33.6 10.4 155 159 A K H X S+ 0 0 104 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.928 110.7 48.3 -64.7 -43.4 19.5 34.5 7.7 156 160 A S H X S+ 0 0 14 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.889 111.8 50.1 -63.8 -38.3 18.0 31.7 5.4 157 161 A F H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.945 109.5 51.2 -63.7 -47.9 14.5 33.0 6.1 158 162 A R H < S+ 0 0 69 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.888 116.1 40.6 -57.4 -42.5 15.5 36.6 5.3 159 163 A E H >< S+ 0 0 96 -4,-2.2 3,-1.3 1,-0.2 4,-0.2 0.931 116.9 45.9 -75.1 -45.9 17.0 35.6 2.0 160 164 A N H 3< S+ 0 0 77 -4,-2.8 3,-0.2 1,-0.3 -2,-0.2 0.725 119.9 40.9 -71.6 -19.7 14.4 33.0 0.9 161 165 A M T 3X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 3,-0.3 0.064 79.5 123.5-111.2 22.0 11.6 35.4 1.8 162 166 A S H <> + 0 0 68 -3,-1.3 4,-2.4 1,-0.2 5,-0.2 0.819 70.0 53.0 -52.9 -38.3 13.3 38.4 0.4 163 167 A D H > S+ 0 0 71 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.928 110.1 46.2 -67.2 -43.6 10.5 39.3 -1.9 164 168 A F H >>S+ 0 0 2 -3,-0.3 5,-2.3 1,-0.2 6,-0.6 0.872 114.0 49.9 -66.2 -35.9 7.8 39.3 0.8 165 169 A L H ><5S+ 0 0 5 -4,-2.2 3,-0.8 1,-0.2 120,-0.3 0.911 110.5 49.4 -68.3 -41.2 10.1 41.3 3.0 166 170 A E H 3<5S+ 0 0 140 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.858 108.9 52.4 -66.0 -35.9 10.8 43.9 0.3 167 171 A S H 3<5S- 0 0 73 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.562 116.7-113.8 -77.8 -9.3 7.1 44.3 -0.5 168 172 A G T <<5S+ 0 0 36 -3,-0.8 -3,-0.2 -4,-0.5 -2,-0.1 0.683 72.9 135.5 86.3 19.8 6.3 44.9 3.2 169 173 A L < + 0 0 9 -5,-2.3 -87,-2.6 -6,-0.2 2,-0.6 0.881 59.7 67.7 -66.5 -38.2 4.3 41.8 3.9 170 174 A I E -d 82 0A 0 -6,-0.6 -87,-0.2 -89,-0.2 3,-0.1 -0.762 56.0-178.5 -93.0 117.6 6.1 41.2 7.2 171 175 A I E - 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