==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-DEC-07 2ZE0 . COMPND 2 MOLECULE: ALPHA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS SP.; . AUTHOR T.SHIRAI,V.S.HUNG,K.MORINAKA,T.KOBAYASHI,S.ITO . 531 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 342 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 10.4 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 . 3 0.6 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 . 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 . 38 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 7 0 2 1 1 0 0 1 0 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 3 3 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 PARALLEL BRIDGES PER LADDER . 5 2 1 2 1 0 1 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 . 3 2 0 1 0 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 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 2 A K 0 0 175 0, 0.0 2,-0.4 0, 0.0 266,-0.0 0.000 360.0 360.0 360.0 106.6 6.5 -9.8 45.5 2 3 A K + 0 0 120 4,-0.0 2,-0.3 3,-0.0 3,-0.0 -0.707 360.0 165.6 -84.7 130.0 9.7 -11.2 44.0 3 4 A T > - 0 0 19 -2,-0.4 4,-1.6 1,-0.1 3,-0.4 -0.976 46.9-119.1-143.9 157.7 9.7 -12.0 40.2 4 5 A W H > S+ 0 0 54 -2,-0.3 4,-1.3 1,-0.2 -1,-0.1 0.865 112.9 55.9 -63.4 -37.8 12.1 -12.8 37.4 5 6 A W H 4 S+ 0 0 19 1,-0.2 -1,-0.2 2,-0.2 5,-0.1 0.820 107.4 48.3 -66.3 -30.7 11.0 -9.7 35.4 6 7 A K H 4 S+ 0 0 17 -3,-0.4 -1,-0.2 1,-0.2 346,-0.2 0.864 116.9 43.6 -75.7 -34.6 11.8 -7.3 38.3 7 8 A E H < S+ 0 0 86 -4,-1.6 -2,-0.2 346,-0.1 -1,-0.2 0.571 99.4 95.4 -85.2 -14.4 15.2 -8.9 38.8 8 9 A G < - 0 0 0 -4,-1.3 2,-0.5 -5,-0.1 36,-0.1 -0.236 65.0-137.7 -81.0 166.5 16.1 -9.1 35.1 9 10 A V - 0 0 2 34,-0.2 36,-2.8 344,-0.1 37,-1.7 -0.997 25.0-147.6-121.7 123.9 18.1 -6.9 32.8 10 11 A A E -ab 46 355A 0 344,-3.1 346,-2.4 -2,-0.5 2,-0.4 -0.720 7.4-158.1 -98.2 149.2 16.5 -6.4 29.4 11 12 A Y E -ab 47 356A 0 35,-2.7 37,-2.8 -2,-0.3 2,-0.6 -0.994 11.9-143.7-127.0 126.6 18.4 -5.9 26.1 12 13 A Q E -ab 48 357A 4 344,-3.0 346,-2.4 -2,-0.4 2,-0.4 -0.809 14.0-164.0 -99.5 124.0 16.6 -4.3 23.1 13 14 A I E -a 49 0A 0 35,-3.5 37,-2.9 -2,-0.6 3,-0.1 -0.881 17.2-161.0-110.7 129.2 17.3 -5.5 19.6 14 15 A Y > - 0 0 10 -2,-0.4 3,-2.2 35,-0.2 4,-0.5 -0.910 21.0-155.2-101.7 91.6 16.5 -3.8 16.4 15 16 A P G >> S+ 0 0 3 0, 0.0 3,-0.8 0, 0.0 4,-0.7 0.727 84.0 60.8 -42.5 -41.3 16.8 -6.8 14.2 16 17 A R G 34 S+ 0 0 28 1,-0.2 11,-2.8 10,-0.1 397,-0.2 0.719 118.0 28.7 -63.5 -25.2 17.6 -5.0 11.0 17 18 A S G <4 S+ 0 0 0 -3,-2.2 380,-3.0 9,-0.2 -1,-0.2 0.247 104.5 78.9-121.8 14.9 20.8 -3.5 12.4 18 19 A F T <4 S- 0 0 0 -3,-0.8 2,-0.3 -4,-0.5 -2,-0.1 0.968 106.3 -19.6 -87.9 -66.2 21.9 -6.1 15.0 19 20 A M < - 0 0 21 -4,-0.7 9,-2.6 9,-0.2 2,-0.9 -0.932 51.3-150.3-151.0 124.1 23.6 -9.0 13.1 20 21 A D + 0 0 5 387,-2.2 3,-0.4 -2,-0.3 7,-0.2 -0.809 16.5 176.7 -94.7 103.3 23.4 -10.0 9.5 21 22 A A S S+ 0 0 34 -2,-0.9 -1,-0.2 5,-0.2 6,-0.1 0.813 75.4 42.2 -79.1 -26.2 23.8 -13.7 9.2 22 23 A N S S- 0 0 110 4,-0.3 -1,-0.2 386,-0.0 386,-0.1 0.273 102.5-115.8-106.6 13.6 23.3 -14.2 5.4 23 24 A G S S+ 0 0 23 -3,-0.4 388,-0.3 384,-0.2 385,-0.1 0.602 80.1 118.3 69.7 13.0 25.2 -11.2 3.9 24 25 A D S S- 0 0 76 2,-0.3 -1,-0.1 386,-0.1 3,-0.1 0.446 87.4-110.5 -89.4 3.0 22.3 -9.4 2.3 25 26 A G S S+ 0 0 0 1,-0.2 388,-2.6 387,-0.1 2,-0.5 0.441 86.8 105.7 85.9 3.1 23.1 -6.4 4.6 26 27 A I S S- 0 0 32 386,-0.2 -4,-0.3 387,-0.1 -2,-0.3 -0.959 73.9-119.3-117.4 127.2 20.0 -6.7 6.8 27 28 A G - 0 0 0 -11,-2.8 -7,-0.3 -2,-0.5 2,-0.2 -0.295 43.0-180.0 -60.1 150.2 20.2 -8.0 10.3 28 29 A D > - 0 0 6 -9,-2.6 4,-1.7 1,-0.1 -9,-0.2 -0.826 42.6 -88.4-145.2-178.8 18.2 -11.1 10.8 29 30 A L H > S+ 0 0 0 45,-3.4 4,-2.2 -2,-0.2 5,-0.1 0.876 122.2 53.8 -63.3 -41.9 17.0 -13.9 13.1 30 31 A R H > S+ 0 0 97 44,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.877 105.5 57.5 -61.5 -32.9 20.0 -16.1 12.5 31 32 A G H > S+ 0 0 0 -12,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.946 105.7 48.1 -60.2 -47.8 22.1 -13.1 13.3 32 33 A I H >< S+ 0 0 0 -4,-1.7 3,-1.1 -13,-0.3 -1,-0.2 0.914 108.1 55.0 -59.1 -43.2 20.5 -12.9 16.7 33 34 A I H >< S+ 0 0 18 -4,-2.2 3,-1.6 1,-0.3 4,-0.4 0.913 103.3 56.1 -57.5 -43.3 21.0 -16.7 17.3 34 35 A E H 3< S+ 0 0 107 -4,-2.2 -1,-0.3 1,-0.3 3,-0.2 0.747 110.3 47.1 -62.0 -22.1 24.7 -16.2 16.6 35 36 A K T S+ 0 0 1 -3,-1.6 4,-2.2 1,-0.2 5,-0.2 0.917 84.8 54.1 -66.4 -39.8 22.9 -15.3 22.3 37 38 A D H > S+ 0 0 100 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.873 107.1 52.9 -57.8 -40.0 26.3 -16.4 23.9 38 39 A Y H > S+ 0 0 12 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.883 106.8 50.9 -60.4 -44.1 27.2 -12.7 23.8 39 40 A L H X>S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 5,-0.9 0.908 111.8 48.0 -62.6 -39.6 24.0 -11.7 25.6 40 41 A V H <5S+ 0 0 64 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.921 111.1 50.1 -66.5 -43.2 24.8 -14.3 28.2 41 42 A E H <5S+ 0 0 68 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.901 110.4 50.2 -60.5 -45.3 28.4 -13.1 28.5 42 43 A L H <5S- 0 0 1 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.871 115.1-122.2 -59.4 -41.1 27.2 -9.5 28.9 43 44 A G T <5 + 0 0 6 -4,-1.8 -3,-0.2 1,-0.3 -34,-0.2 0.290 62.1 136.3 114.7 -5.2 24.8 -10.7 31.6 44 45 A V < - 0 0 4 -5,-0.9 -1,-0.3 1,-0.1 -34,-0.2 -0.195 29.0-173.5 -68.4 162.5 21.3 -9.7 30.3 45 46 A D + 0 0 52 -36,-2.8 48,-3.0 1,-0.2 2,-0.4 0.451 61.6 64.2-138.0 -1.1 18.4 -12.2 30.5 46 47 A I E -ac 10 93A 0 -37,-1.7 -35,-2.7 46,-0.2 2,-0.6 -0.996 63.3-159.9-128.2 125.0 15.4 -10.7 28.7 47 48 A V E -ac 11 94A 1 46,-3.7 48,-2.9 -2,-0.4 2,-0.7 -0.932 2.2-165.4-111.8 116.0 15.7 -10.1 25.0 48 49 A W E -ac 12 95A 6 -37,-2.8 -35,-3.5 -2,-0.6 2,-0.6 -0.899 6.4-164.6-101.5 114.6 13.3 -7.7 23.4 49 50 A I E -ac 13 96A 0 46,-2.2 48,-0.6 -2,-0.7 3,-0.2 -0.902 17.9-129.2-103.4 122.6 13.2 -8.0 19.7 50 51 A C - 0 0 2 -37,-2.9 11,-0.1 -2,-0.6 -36,-0.0 -0.162 61.4 -40.7 -59.7 164.6 11.6 -5.1 17.7 51 52 A P + 0 0 12 0, 0.0 -1,-0.2 0, 0.0 11,-0.1 0.099 59.2 161.7 -36.5 120.0 8.9 -5.9 15.1 52 53 A I + 0 0 0 -3,-0.2 19,-3.4 45,-0.1 22,-0.2 0.184 37.0 119.4-124.2 10.2 9.7 -9.0 13.0 53 54 A Y E S-H 70 0B 7 17,-0.3 17,-0.3 8,-0.2 14,-0.1 -0.388 81.1 -80.8 -79.3 156.6 6.2 -9.7 11.8 54 55 A R E +H 66 0B 111 15,-2.1 11,-1.9 12,-1.1 12,-1.4 -0.363 67.7 159.4 -57.1 129.6 5.2 -9.7 8.0 55 56 A S - 0 0 7 9,-0.3 9,-0.2 10,-0.2 7,-0.0 -0.981 57.2-131.1-156.4 140.6 4.8 -6.0 7.2 56 57 A P - 0 0 45 0, 0.0 8,-0.1 0, 0.0 -2,-0.1 0.554 53.4-131.7 -68.5 -3.5 4.8 -3.9 4.0 57 58 A N > + 0 0 53 6,-0.5 3,-0.6 1,-0.1 7,-0.1 0.799 64.3 138.2 56.8 40.3 7.1 -1.9 6.3 58 59 A A T 3 S+ 0 0 45 5,-0.2 -1,-0.1 1,-0.2 107,-0.1 0.689 78.7 35.2 -83.1 -14.3 5.5 1.5 5.7 59 60 A D T > S- 0 0 23 4,-0.1 3,-2.0 106,-0.1 -1,-0.2 -0.288 128.7 -80.9-137.3 52.5 5.9 2.2 9.4 60 61 A N T < S- 0 0 41 -3,-0.6 -2,-0.1 1,-0.3 317,-0.0 0.836 94.6 -55.1 53.5 36.9 9.1 0.7 10.6 61 62 A G T 3 S+ 0 0 9 2,-0.1 -1,-0.3 1,-0.1 -8,-0.2 0.454 115.9 111.0 80.1 1.8 7.3 -2.7 10.9 62 63 A Y < + 0 0 36 -3,-2.0 2,-0.8 1,-0.2 40,-0.1 0.410 61.7 80.0 -84.1 0.5 4.5 -1.4 13.1 63 64 A D S S- 0 0 0 -10,-0.1 -6,-0.5 40,-0.1 2,-0.5 -0.833 77.4-162.2-107.8 88.8 2.1 -1.9 10.2 64 65 A I + 0 0 1 -2,-0.8 40,-2.5 38,-0.3 -9,-0.3 -0.645 26.8 175.7 -85.4 125.4 1.5 -5.6 10.3 65 66 A S S S+ 0 0 14 -11,-1.9 2,-0.2 -2,-0.5 -10,-0.2 0.529 81.6 18.9 -98.3 -14.1 0.1 -7.5 7.4 66 67 A D E > -H 54 0B 36 -12,-1.4 -12,-1.1 3,-0.2 3,-1.0 -0.735 55.6-170.3-160.4 108.9 0.4 -11.0 9.0 67 68 A Y E 3 S+ 0 0 3 1,-0.2 -1,-0.1 -2,-0.2 -12,-0.0 0.629 90.6 55.0 -72.4 -17.3 0.7 -11.6 12.8 68 69 A Y E 3 S+ 0 0 85 2,-0.1 2,-0.3 -15,-0.0 -1,-0.2 0.204 101.6 70.6-101.5 15.2 1.5 -15.3 12.3 69 70 A A E < S- 0 0 11 -3,-1.0 -15,-2.1 -15,-0.1 2,-0.3 -0.977 74.1-123.7-136.7 149.4 4.4 -14.7 9.9 70 71 A I E -H 53 0B 9 -2,-0.3 -17,-0.3 -17,-0.3 2,-0.2 -0.637 39.6-100.0 -88.7 144.1 8.0 -13.4 10.1 71 72 A M >> - 0 0 19 -19,-3.4 3,-2.8 -2,-0.3 4,-0.9 -0.469 36.5-125.6 -62.6 122.7 9.1 -10.5 7.9 72 73 A D G >4 S+ 0 0 131 1,-0.3 3,-0.9 -2,-0.2 -1,-0.1 0.820 106.3 57.4 -39.7 -48.3 11.0 -12.3 4.9 73 74 A E G 34 S+ 0 0 56 1,-0.2 -1,-0.3 -45,-0.1 -49,-0.1 0.643 105.8 50.8 -65.0 -11.4 14.2 -10.3 5.4 74 75 A F G <4 S- 0 0 8 -3,-2.8 -45,-3.4 1,-0.3 -44,-0.4 0.665 115.8-105.4 -98.2 -15.0 14.5 -11.5 9.0 75 76 A G << - 0 0 18 -3,-0.9 -1,-0.3 -4,-0.9 2,-0.2 -0.935 43.6 -49.0 132.8-156.7 14.1 -15.2 8.4 76 77 A T > - 0 0 71 -2,-0.3 4,-2.1 -3,-0.1 3,-0.1 -0.699 46.7-104.8-117.2 170.7 11.5 -17.9 8.8 77 78 A M H > S+ 0 0 39 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.846 123.1 59.1 -63.0 -34.4 9.3 -19.1 11.6 78 79 A D H > S+ 0 0 125 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.907 104.7 49.7 -59.5 -43.2 11.7 -22.1 11.9 79 80 A D H > S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.927 111.9 48.2 -61.3 -43.1 14.5 -19.5 12.6 80 81 A F H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.922 111.5 48.3 -64.3 -43.9 12.3 -17.9 15.2 81 82 A D H X S+ 0 0 62 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.893 113.2 49.0 -60.7 -41.3 11.4 -21.3 16.9 82 83 A E H X S+ 0 0 67 -4,-2.6 4,-2.8 -5,-0.2 5,-0.3 0.899 107.8 55.4 -63.8 -41.7 15.1 -22.1 16.8 83 84 A L H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.944 108.9 46.4 -57.6 -51.0 15.8 -18.6 18.3 84 85 A L H X S+ 0 0 7 -4,-2.4 4,-3.6 2,-0.2 -1,-0.2 0.902 113.1 49.6 -57.2 -45.7 13.5 -19.3 21.3 85 86 A A H X S+ 0 0 54 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.950 115.1 42.7 -58.4 -51.7 14.9 -22.8 21.9 86 87 A Q H X S+ 0 0 35 -4,-2.8 4,-1.1 2,-0.2 -2,-0.2 0.861 116.0 49.9 -65.0 -36.9 18.5 -21.5 21.9 87 88 A A H ><>S+ 0 0 0 -4,-2.8 5,-2.4 -5,-0.3 3,-0.5 0.961 112.7 45.7 -69.2 -47.9 17.5 -18.5 24.0 88 89 A H H ><5S+ 0 0 74 -4,-3.6 3,-1.7 1,-0.2 -2,-0.2 0.840 105.0 60.7 -64.2 -31.7 15.7 -20.6 26.6 89 90 A R H 3<5S+ 0 0 172 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.847 107.5 48.3 -58.6 -40.0 18.6 -23.2 26.7 90 91 A R T <<5S- 0 0 56 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.384 123.4-106.7 -82.1 2.6 20.7 -20.3 27.9 91 92 A G T < 5S+ 0 0 53 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.647 73.6 140.8 79.7 15.9 18.2 -19.1 30.5 92 93 A L < - 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0 0 0 64,-1.7 -38,-0.2 -2,-0.3 2,-0.1 -0.785 41.9 -80.5-132.9 174.0 -3.0 -3.4 11.3 104 105 A S > - 0 0 0 -40,-2.5 3,-1.8 -2,-0.3 6,-0.3 -0.464 34.8-121.9 -74.7 154.0 -1.6 -2.7 7.9 105 106 A D T 3 S+ 0 0 19 60,-1.1 -1,-0.1 1,-0.3 9,-0.1 0.577 116.3 60.1 -72.5 -6.8 -4.1 -1.9 5.2 106 107 A E T 3 S+ 0 0 89 59,-0.3 -1,-0.3 4,-0.1 -41,-0.1 0.262 76.2 117.7-101.1 6.8 -2.5 -4.9 3.4 107 108 A H S X> S- 0 0 7 -3,-1.8 4,-2.3 1,-0.1 3,-1.0 -0.581 77.7-122.0 -72.8 138.2 -3.5 -7.2 6.2 108 109 A P H 3> S+ 0 0 75 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.834 111.7 58.3 -52.6 -30.6 -5.9 -9.8 4.8 109 110 A W H 3> S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 15,-0.1 0.877 109.6 42.3 -67.1 -36.3 -8.6 -8.7 7.4 110 111 A F H <> S+ 0 0 0 -3,-1.0 4,-3.3 -6,-0.3 -1,-0.2 0.868 109.1 58.4 -75.9 -35.6 -8.5 -5.1 6.1 111 112 A I H X S+ 0 0 93 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.879 113.5 39.8 -60.0 -37.1 -8.4 -6.2 2.4 112 113 A E H >X S+ 0 0 73 -4,-1.7 3,-1.0 -5,-0.3 4,-0.6 0.946 114.1 54.4 -76.9 -46.1 -11.7 -8.1 3.1 113 114 A S H >< S+ 0 0 0 -4,-2.4 3,-0.6 1,-0.3 -2,-0.2 0.903 110.5 45.0 -52.8 -46.2 -13.1 -5.3 5.2 114 115 A R H 3< S+ 0 0 30 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.623 93.4 82.0 -77.0 -14.5 -12.5 -2.6 2.5 115 116 A S H << S- 0 0 66 -3,-1.0 2,-0.3 -4,-0.7 -1,-0.2 0.820 105.1 -9.1 -59.3 -39.8 -13.9 -4.7 -0.4 116 117 A S << - 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0 0 10 -4,-2.2 3,-0.6 -5,-0.4 4,-0.1 -0.108 54.1-140.4 -56.0 145.4 18.0 11.8 14.2 390 407 A R G > S+ 0 0 96 1,-0.2 3,-2.1 2,-0.1 -68,-0.2 0.821 98.4 69.9 -73.1 -33.1 16.5 8.3 14.7 391 408 A D G >> S+ 0 0 2 1,-0.3 3,-1.9 2,-0.2 4,-0.8 0.720 77.9 81.4 -57.5 -21.1 19.1 6.7 12.4 392 409 A N G <4 S+ 0 0 0 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.787 101.1 37.2 -54.7 -28.1 21.6 7.4 15.2 393 410 A S G <4 S+ 0 0 0 -3,-2.1 -1,-0.3 -73,-0.2 -2,-0.2 0.295 112.3 60.1-108.0 7.2 20.3 4.3 16.8 394 411 A R T <4 + 0 0 15 -3,-1.9 -2,-0.2 -4,-0.2 -1,-0.1 0.342 69.8 110.3-116.1 1.9 19.8 2.3 13.6 395 412 A T S < S- 0 0 0 -4,-0.8 21,-0.2 1,-0.1 20,-0.1 -0.462 88.5 -73.3 -72.1 155.0 23.3 2.2 12.2 396 413 A P - 0 0 0 0, 0.0 21,-0.4 0, 0.0 -378,-0.2 -0.210 52.9 -99.6 -56.1 141.4 24.7 -1.4 12.4 397 414 A M - 0 0 0 -380,-3.0 2,-1.1 1,-0.1 -38,-0.1 -0.337 37.1-123.0 -59.7 135.4 25.7 -2.9 15.8 398 415 A Q + 0 0 0 1,-0.2 27,-2.5 -3,-0.1 8,-0.1 -0.680 44.6 157.3 -93.2 91.4 29.5 -2.7 16.2 399 416 A W - 0 0 12 6,-1.5 27,-2.5 -2,-1.1 2,-0.2 0.813 61.7 -15.4 -81.1 -37.9 30.9 -6.2 16.9 400 417 A S - 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0 0 121 -388,-0.3 -2,-0.1 -2,-0.1 4,-0.1 -0.949 56.3-120.7-109.8 121.1 26.8 -4.0 2.2 412 429 A P - 0 0 13 0, 0.0 -386,-0.2 0, 0.0 -387,-0.1 -0.314 17.1-122.1 -63.2 145.1 24.9 -2.8 5.2 413 430 A W S S+ 0 0 52 -388,-2.6 2,-0.3 -397,-0.2 -387,-0.1 0.698 105.0 18.8 -57.9 -21.7 21.4 -1.4 4.5 414 431 A I S S- 0 0 0 -389,-0.3 -1,-0.1 -20,-0.1 -39,-0.1 -0.972 105.3 -89.6-145.5 144.9 22.7 1.7 6.2 415 432 A K - 0 0 103 -41,-0.4 2,-0.1 -2,-0.3 3,-0.1 -0.279 36.0-116.9 -64.1 143.4 26.4 2.6 6.8 416 433 A V - 0 0 15 -21,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.441 41.5 -96.9 -72.4 149.1 28.3 1.6 9.9 417 434 A N > - 0 0 9 -21,-0.4 3,-1.5 1,-0.1 -1,-0.1 -0.522 30.1-126.3 -71.0 134.0 29.4 4.6 12.1 418 435 A E G > S+ 0 0 160 1,-0.3 3,-0.6 -2,-0.2 -1,-0.1 0.621 103.5 71.7 -56.3 -15.7 33.1 5.3 11.2 419 436 A N G >> + 0 0 37 1,-0.2 4,-2.9 2,-0.1 3,-1.2 0.324 64.8 101.9 -86.1 11.5 34.1 5.0 14.9 420 437 A Y G <4 + 0 0 23 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.735 63.9 72.9 -67.9 -23.5 33.6 1.3 14.9 421 438 A R G <4 S+ 0 0 159 -3,-0.6 -1,-0.2 1,-0.2 3,-0.1 0.825 118.5 19.5 -61.2 -24.9 37.4 0.6 14.8 422 439 A T T <4 S+ 0 0 99 -3,-1.2 2,-1.3 1,-0.2 -2,-0.2 0.798 122.4 58.7-107.1 -52.4 37.5 1.8 18.4 423 440 A I S < S+ 0 0 9 -4,-2.9 2,-0.3 4,-0.1 -1,-0.2 -0.674 80.7 112.4 -85.0 88.1 33.8 1.4 19.5 424 441 A N S > S- 0 0 3 -2,-1.3 4,-2.6 -3,-0.1 -25,-0.3 -0.985 73.4-113.1-155.7 153.5 33.1 -2.3 19.0 425 442 A V H > S+ 0 0 2 -27,-2.5 4,-2.6 -2,-0.3 5,-0.2 0.903 110.8 54.9 -53.9 -49.7 32.5 -5.3 21.2 426 443 A E H > S+ 0 0 88 -27,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.921 114.8 38.7 -50.9 -56.1 35.7 -7.2 20.3 427 444 A A H >> S+ 0 0 20 1,-0.2 4,-1.3 2,-0.2 3,-0.8 0.902 115.5 53.0 -64.5 -43.7 38.0 -4.3 21.4 428 445 A E H 3< S+ 0 0 6 -4,-2.6 6,-0.4 1,-0.2 9,-0.4 0.852 104.8 54.3 -64.6 -32.9 35.9 -3.3 24.4 429 446 A R H 3< S+ 0 0 102 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.713 107.7 51.1 -72.4 -20.7 35.9 -6.8 25.8 430 447 A R H << S+ 0 0 169 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.744 99.9 75.1 -84.0 -25.9 39.7 -6.8 25.7 431 448 A D >< - 0 0 73 -4,-1.3 3,-1.5 1,-0.1 6,-0.4 -0.791 63.8-164.1 -91.9 110.7 39.8 -3.5 27.5 432 449 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.559 92.3 52.4 -71.3 -5.3 39.0 -3.7 31.2 433 450 A N T 3 S+ 0 0 112 4,-0.1 2,-0.1 -5,-0.0 -5,-0.1 0.073 88.2 119.7-113.1 19.3 38.4 0.1 31.4 434 451 A S S <> S- 0 0 7 -3,-1.5 4,-2.1 -6,-0.4 5,-0.1 -0.412 78.9-113.7 -85.6 163.0 35.9 0.1 28.5 435 452 A V H > S+ 0 0 0 -73,-0.2 4,-2.5 1,-0.2 5,-0.2 0.905 119.1 55.3 -59.0 -38.0 32.3 1.2 28.6 436 453 A W H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.914 106.8 47.7 -61.1 -46.5 31.4 -2.5 27.9 437 454 A S H > S+ 0 0 15 -6,-0.4 4,-2.6 -9,-0.4 -1,-0.2 0.872 109.9 53.7 -63.5 -38.1 33.4 -3.8 30.9 438 455 A F H X S+ 0 0 6 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.948 110.2 47.9 -61.2 -49.7 31.7 -1.0 33.0 439 456 A Y H X S+ 0 0 3 -4,-2.5 4,-2.6 -78,-0.4 -2,-0.2 0.870 109.9 51.3 -57.1 -40.7 28.3 -2.3 31.9 440 457 A R H X S+ 0 0 93 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.932 110.8 48.7 -65.9 -43.0 29.2 -5.9 32.6 441 458 A Q H X S+ 0 0 78 -4,-2.6 4,-3.2 2,-0.2 -2,-0.2 0.901 110.0 52.6 -64.0 -39.0 30.3 -4.9 36.1 442 459 A M H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.939 110.8 46.2 -60.8 -45.7 27.0 -3.0 36.5 443 460 A I H X S+ 0 0 2 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.924 113.2 50.2 -61.1 -44.4 25.1 -6.1 35.6 444 461 A Q H X S+ 0 0 110 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.930 109.9 51.4 -58.8 -48.0 27.3 -8.2 37.9 445 462 A L H X S+ 0 0 24 -4,-3.2 4,-0.9 1,-0.2 3,-0.3 0.940 109.6 47.8 -54.2 -53.4 26.6 -5.7 40.8 446 463 A R H < S+ 0 0 3 -4,-2.3 3,-0.3 1,-0.2 6,-0.2 0.854 112.5 49.9 -60.3 -35.7 22.8 -5.7 40.4 447 464 A K H < S+ 0 0 124 -4,-1.9 -1,-0.2 1,-0.2 3,-0.2 0.817 113.7 44.5 -72.3 -32.7 22.7 -9.6 40.3 448 465 A A H < S+ 0 0 78 -4,-1.7 2,-0.3 -3,-0.3 -1,-0.2 0.472 116.2 48.0 -88.4 -7.6 24.9 -9.9 43.4 449 466 A N >< - 0 0 45 -4,-0.9 3,-2.4 -3,-0.3 4,-0.3 -0.713 60.5-170.8-138.1 86.1 23.0 -7.2 45.4 450 467 A E T >>>S+ 0 0 98 -2,-0.3 4,-2.4 1,-0.3 3,-1.1 0.556 76.4 86.0 -55.2 -4.8 19.2 -7.5 45.4 451 468 A L H 3>5S+ 0 0 5 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.792 85.9 55.7 -66.3 -26.5 19.1 -4.1 47.1 452 469 A F H <45S+ 0 0 0 -3,-2.4 -100,-0.4 -6,-0.2 -1,-0.3 0.621 113.3 42.2 -77.7 -15.6 19.3 -2.6 43.6 453 470 A V H <45S+ 0 0 7 -3,-1.1 -101,-0.3 -4,-0.3 -2,-0.2 0.895 134.3 11.8 -93.1 -62.4 16.2 -4.7 42.7 454 471 A Y H <5S+ 0 0 29 -4,-2.4 -3,-0.2 -103,-0.1 -2,-0.2 0.495 96.5 112.6 -97.1 -4.7 13.9 -4.3 45.7 455 472 A G S < S+ 0 0 43 -2,-0.3 3,-1.7 1,-0.1 -1,-0.2 0.863 71.3 175.4 41.0 51.6 21.0 16.6 47.3 462 479 A E T 3 S+ 0 0 124 1,-0.3 -1,-0.1 -3,-0.2 -165,-0.1 0.790 73.1 48.4 -55.0 -34.3 17.9 17.4 45.3 463 480 A N T 3 S+ 0 0 120 3,-0.0 -1,-0.3 2,-0.0 -169,-0.1 0.463 79.7 119.3 -87.8 -1.2 18.8 21.1 44.7 464 481 A H < - 0 0 41 -3,-1.7 28,-0.0 3,-0.1 -4,-0.0 -0.459 60.0-144.2 -68.0 132.0 22.4 20.4 43.7 465 482 A P S S+ 0 0 63 0, 0.0 -172,-0.6 0, 0.0 -171,-0.3 0.694 87.6 14.9 -71.2 -20.1 22.8 21.7 40.1 466 483 A S S S+ 0 0 27 -173,-0.1 19,-2.0 1,-0.1 2,-0.4 0.643 105.1 81.3-123.6 -30.9 25.1 19.0 38.8 467 484 A I E - R 0 484I 0 17,-0.2 2,-0.6 24,-0.1 17,-0.2 -0.747 51.1-165.7 -89.7 131.7 25.2 16.0 41.0 468 485 A Y E + R 0 483I 0 15,-2.6 15,-2.6 -2,-0.4 2,-0.4 -0.972 21.8 169.9-113.9 111.3 22.5 13.4 40.8 469 486 A A E +QR 460 482I 0 -9,-0.7 -9,-3.0 -2,-0.6 2,-0.3 -0.990 3.6 163.7-128.8 133.8 22.8 11.3 44.0 470 487 A Y E -QR 459 481I 0 11,-2.6 11,-3.0 -2,-0.4 2,-0.2 -0.980 22.6-138.2-146.7 156.9 20.4 8.7 45.2 471 488 A T E -QR 458 480I 2 -13,-2.7 -13,-1.3 -2,-0.3 2,-0.4 -0.682 3.9-149.1-112.7 165.6 20.3 5.9 47.7 472 489 A R E -QR 457 479I 0 7,-1.8 7,-1.5 -2,-0.2 2,-0.4 -0.990 17.9-168.6-134.5 127.8 18.9 2.3 47.6 473 490 A T E +QR 456 478I 32 -17,-1.9 -17,-2.5 -2,-0.4 2,-0.4 -0.975 19.7 161.4-127.2 125.9 17.7 0.8 50.8 474 491 A L E > S- R 0 477I 47 3,-2.8 3,-2.6 -2,-0.4 -19,-0.1 -0.913 70.4 -59.9-141.4 107.1 16.7 -2.8 51.5 475 492 A G T 3 S- 0 0 67 -2,-0.4 -1,-0.2 1,-0.3 59,-0.1 -0.224 119.7 -15.9 53.9-129.3 16.8 -3.7 55.3 476 493 A R T 3 S+ 0 0 132 -3,-0.1 58,-2.5 57,-0.1 2,-0.6 0.483 119.4 98.4 -83.7 -1.7 20.3 -3.1 56.6 477 494 A D E < +RS 474 533I 63 -3,-2.6 -3,-2.8 56,-0.2 2,-0.3 -0.780 51.1 170.1 -92.4 120.0 21.7 -3.1 53.0 478 495 A R E -RS 473 532I 51 54,-2.0 54,-2.4 -2,-0.6 2,-0.3 -0.884 13.5-173.9-129.3 158.3 22.3 0.4 51.6 479 496 A A E -RS 472 531I 0 -7,-1.5 -7,-1.8 -2,-0.3 2,-0.4 -0.982 13.3-149.0-149.6 152.1 23.9 1.9 48.6 480 497 A L E -RS 471 530I 0 50,-2.4 50,-2.7 -2,-0.3 2,-0.6 -0.998 6.4-167.8-125.8 125.9 24.8 5.3 47.3 481 498 A V E -RS 470 529I 0 -11,-3.0 -11,-2.6 -2,-0.4 2,-0.4 -0.981 15.6-179.8-113.1 117.1 24.8 6.0 43.6 482 499 A V E -RS 469 528I 0 46,-2.9 46,-2.3 -2,-0.6 2,-0.4 -0.984 2.7-178.7-125.7 126.3 26.4 9.5 43.0 483 500 A V E -RS 468 527I 0 -15,-2.6 -15,-2.6 -2,-0.4 2,-1.2 -0.977 23.4-150.2-132.1 130.3 26.9 11.0 39.6 484 501 A N E -R 467 0I 0 42,-2.8 2,-2.2 -2,-0.4 41,-0.9 -0.739 17.0-165.4 -93.7 90.5 28.5 14.3 38.5 485 502 A L + 0 0 5 -19,-2.0 -194,-0.4 -2,-1.2 2,-0.3 -0.422 54.4 77.2 -78.6 70.2 26.5 15.1 35.3 486 503 A S S S- 0 0 11 -2,-2.2 39,-1.5 37,-0.2 40,-0.2 -0.962 80.7-118.5-168.5 155.6 28.8 17.8 33.9 487 504 A D S S+ 0 0 58 -2,-0.3 -2,-0.1 37,-0.2 -157,-0.0 0.227 97.4 66.2 -84.2 14.9 32.1 18.2 32.1 488 505 A R S S- 0 0 181 35,-0.1 37,-0.3 1,-0.1 -2,-0.1 -0.924 95.5 -94.8-131.5 152.9 33.5 20.2 35.0 489 506 A P - 0 0 68 0, 0.0 2,-0.3 0, 0.0 34,-0.2 -0.172 40.1-162.0 -64.4 167.0 34.3 19.0 38.5 490 507 A S E -U 522 0J 15 32,-1.7 32,-2.7 -4,-0.1 2,-0.6 -0.989 19.3-116.0-152.6 142.0 31.8 19.4 41.3 491 508 A L E -U 521 0J 65 -2,-0.3 2,-0.5 30,-0.2 30,-0.2 -0.725 20.0-157.1 -87.2 123.6 31.8 19.3 45.1 492 509 A Y E +U 520 0J 1 28,-2.7 28,-2.0 -2,-0.6 2,-0.3 -0.831 21.4 169.7 -93.9 129.6 29.9 16.6 46.6 493 510 A R E +U 519 0J 127 -2,-0.5 2,-0.3 26,-0.2 26,-0.2 -0.884 8.3 147.9-150.2 110.5 29.0 17.6 50.2 494 511 A Y > - 0 0 69 24,-3.0 2,-1.3 -2,-0.3 3,-0.7 -0.851 28.4-164.3-152.2 110.5 26.5 15.7 52.3 495 512 A D T 3 + 0 0 135 -2,-0.3 3,-0.1 1,-0.2 23,-0.1 -0.585 68.6 95.5 -91.4 66.2 26.7 15.3 56.0 496 513 A G T 3 S- 0 0 46 -2,-1.3 2,-0.3 1,-0.6 -1,-0.2 0.512 95.9 -2.1-125.1 -22.8 24.3 12.4 56.2 497 514 A F S < S- 0 0 28 -3,-0.7 -1,-0.6 20,-0.1 2,-0.6 -0.949 70.5-113.5-165.6 154.7 26.8 9.5 56.2 498 515 A R - 0 0 169 -2,-0.3 2,-0.4 -3,-0.1 20,-0.2 -0.886 32.0-140.0-101.1 123.3 30.6 9.1 56.1 499 516 A L B -V 517 0K 3 18,-2.5 18,-1.8 -2,-0.6 2,-0.4 -0.682 12.8-159.8 -88.1 134.2 31.8 7.4 52.9 500 517 A Q > - 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