==== 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 25-MAR-04 1V08 . COMPND 2 MOLECULE: BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR J.MORINIERE,L.VERDOUCQ,D.R.BEVAN,A.ESEN,B.HENRISSAT, . 980 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35500.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 674 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 103 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 48 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 307 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.2 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 4 2 0 6 2 4 0 2 1 1 4 0 2 2 0 2 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 7 5 4 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 PARALLEL BRIDGES PER LADDER . 6 2 0 4 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 . 2 3 0 0 0 0 0 1 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 12 A M 0 0 187 0, 0.0 2,-0.2 0, 0.0 417,-0.0 0.000 360.0 360.0 360.0 -27.6 10.6 69.9 17.7 2 13 A L - 0 0 26 1,-0.1 5,-0.1 2,-0.1 422,-0.0 -0.535 360.0-114.4 -68.9 140.0 7.6 67.7 18.5 3 14 A S >> - 0 0 50 -2,-0.2 3,-1.5 1,-0.1 4,-1.0 -0.260 35.1 -95.7 -70.6 163.6 5.5 69.0 21.4 4 15 A P G >4 S+ 0 0 117 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.856 124.1 47.5 -53.3 -45.6 5.3 66.9 24.7 5 16 A S G 34 S+ 0 0 104 1,-0.2 -2,-0.0 3,-0.0 -3,-0.0 0.598 110.6 54.9 -73.3 -12.8 2.0 65.0 23.9 6 17 A E G <4 S+ 0 0 95 -3,-1.5 -1,-0.2 2,-0.1 -4,-0.1 0.610 80.9 102.9 -91.3 -18.8 3.3 64.2 20.3 7 18 A I S << S- 0 0 30 -4,-1.0 418,-0.1 -3,-0.7 417,-0.0 -0.527 81.3-112.3 -67.3 126.8 6.6 62.5 21.5 8 19 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.274 29.7-157.0 -62.9 146.5 6.2 58.7 21.2 9 20 A Q > - 0 0 86 1,-0.1 3,-1.5 419,-0.0 4,-0.2 -0.864 26.2-117.9-120.1 156.7 6.1 56.6 24.4 10 21 A R G > S+ 0 0 46 477,-0.4 3,-1.9 -2,-0.3 -1,-0.1 0.876 112.4 60.5 -64.2 -37.8 6.8 52.9 24.7 11 22 A D G 3 S+ 0 0 136 1,-0.3 -1,-0.3 -3,-0.0 4,-0.1 0.476 84.6 79.7 -73.1 -0.4 3.3 52.0 25.8 12 23 A W G < S+ 0 0 75 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.693 96.0 56.2 -65.8 -21.0 2.0 53.4 22.5 13 24 A F S < S- 0 0 10 -3,-1.9 418,-0.0 -4,-0.2 417,-0.0 -0.770 100.8 -88.6-115.1 155.9 3.2 50.0 21.1 14 25 A P > - 0 0 57 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.161 39.4-113.1 -57.0 157.3 2.3 46.3 22.0 15 26 A S T 3 S+ 0 0 122 1,-0.3 -2,-0.0 -4,-0.1 -4,-0.0 0.733 116.8 51.3 -69.5 -23.7 4.4 44.6 24.7 16 27 A D T 3 S+ 0 0 113 2,-0.1 -1,-0.3 426,-0.0 2,-0.1 0.344 82.3 120.2 -94.9 5.4 6.0 42.2 22.1 17 28 A F < - 0 0 2 -3,-1.4 2,-0.5 1,-0.1 425,-0.2 -0.395 60.3-128.6 -67.4 149.9 7.0 45.0 19.7 18 29 A T E -a 442 0A 17 423,-1.9 425,-2.5 -2,-0.1 2,-0.4 -0.890 23.2-176.3-115.2 123.6 10.8 45.2 19.0 19 30 A F E +a 443 0A 2 -2,-0.5 63,-2.4 423,-0.2 64,-1.3 -0.968 27.3 137.1-114.3 136.3 13.0 48.2 19.2 20 31 A G E -ab 444 83A 2 423,-2.2 425,-2.4 -2,-0.4 2,-0.3 -0.844 43.2-113.6-156.1-176.3 16.7 47.8 18.2 21 32 A A E -ab 445 84A 0 62,-0.9 64,-2.6 423,-0.3 2,-0.3 -0.916 26.8-141.0-133.7 165.4 19.7 49.1 16.4 22 33 A A E +ab 446 85A 0 423,-2.0 425,-1.6 -2,-0.3 426,-1.3 -0.940 21.3 161.5-135.2 145.7 21.5 47.9 13.3 23 34 A T - 0 0 1 62,-2.3 2,-0.3 -2,-0.3 428,-0.0 -0.856 23.8-133.5-141.8 179.6 25.0 47.5 11.8 24 35 A S > - 0 0 0 -2,-0.3 4,-1.6 62,-0.2 5,-0.3 -0.981 23.2-118.1-141.2 155.2 26.8 45.5 9.1 25 36 A A H > S+ 0 0 2 -2,-0.3 4,-2.4 1,-0.2 5,-0.4 0.896 109.5 44.1 -62.2 -53.6 30.1 43.6 9.2 26 37 A Y H 4 S+ 0 0 13 105,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.865 114.3 53.9 -62.2 -31.6 32.2 45.5 6.7 27 38 A Q H 4 S+ 0 0 1 1,-0.1 425,-1.9 424,-0.1 -1,-0.2 0.823 127.0 11.5 -73.5 -31.3 31.0 48.8 8.1 28 39 A I H < S+ 0 0 7 -4,-1.6 37,-2.4 -3,-0.4 35,-1.5 0.693 107.9 73.4-117.0 -27.7 31.9 48.1 11.8 29 40 A E < + 0 0 8 -4,-2.4 37,-2.2 -5,-0.3 38,-0.4 0.890 56.9 178.2 -70.9 -46.3 34.1 45.1 12.4 30 41 A G + 0 0 5 -5,-0.4 31,-0.3 29,-0.3 -1,-0.2 -0.516 44.7 107.5 71.7-148.2 37.6 46.0 11.1 31 42 A A > + 0 0 3 29,-0.5 3,-1.3 -2,-0.2 6,-0.2 0.872 46.7 171.1 45.2 47.6 40.1 43.2 11.6 32 43 A W T 3 S+ 0 0 62 28,-1.0 -1,-0.1 1,-0.3 8,-0.1 0.695 73.1 24.4 -67.7 -25.3 39.9 42.8 7.8 33 44 A N T 3 S+ 0 0 95 27,-0.2 3,-0.3 6,-0.1 -1,-0.3 0.044 100.9 114.7-125.2 23.5 42.9 40.4 7.5 34 45 A E S X S+ 0 0 69 -3,-1.3 3,-1.9 1,-0.2 -4,-0.0 -0.659 70.4 6.5-102.8 151.7 42.9 38.9 11.0 35 46 A D T 3 S- 0 0 72 1,-0.3 -1,-0.2 -2,-0.2 71,-0.2 0.845 130.9 -48.5 52.2 45.9 42.3 35.4 12.3 36 47 A G T 3 S+ 0 0 48 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.340 89.6 156.7 84.5 -4.3 42.0 33.7 8.9 37 48 A K < - 0 0 22 -3,-1.9 55,-0.3 -6,-0.2 -1,-0.2 -0.292 34.5-134.3 -62.1 134.1 39.5 36.2 7.3 38 49 A G - 0 0 11 53,-2.6 58,-0.1 1,-0.1 -4,-0.1 -0.469 27.4 -91.4 -83.1 156.1 39.6 36.2 3.5 39 50 A E - 0 0 71 -2,-0.2 97,-2.4 56,-0.1 98,-0.5 -0.370 42.6-153.2 -63.4 141.1 39.6 39.3 1.3 40 51 A S B > -I 135 0B 1 95,-0.3 4,-2.4 96,-0.2 5,-0.2 -0.705 31.1-102.1-109.6 167.3 36.2 40.7 0.2 41 52 A N H > S+ 0 0 1 93,-2.5 4,-2.1 -2,-0.2 5,-0.1 0.845 123.9 49.9 -50.0 -39.9 35.1 42.7 -2.8 42 53 A W H > S+ 0 0 0 2,-0.2 4,-2.4 92,-0.2 5,-0.3 0.856 107.8 51.2 -77.3 -35.3 35.0 45.8 -0.5 43 54 A D H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.954 114.0 46.8 -56.6 -49.5 38.6 45.3 0.8 44 55 A H H X S+ 0 0 54 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.882 114.1 46.8 -61.4 -42.5 39.7 44.9 -2.8 45 56 A F H X S+ 0 0 4 -4,-2.1 4,-1.9 2,-0.2 7,-0.2 0.907 114.2 44.0 -69.6 -48.6 37.8 48.0 -4.0 46 57 A C H < S+ 0 0 3 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.889 116.6 47.1 -65.9 -38.9 38.9 50.4 -1.2 47 58 A H H < S+ 0 0 61 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.883 121.6 34.6 -71.9 -38.6 42.5 49.3 -1.3 48 59 A N H < S+ 0 0 85 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.676 128.5 34.3 -92.1 -19.6 42.8 49.5 -5.1 49 60 A H >< + 0 0 28 -4,-1.9 3,-1.7 -5,-0.2 -1,-0.2 -0.456 57.1 151.5-136.8 62.8 40.6 52.5 -5.7 50 61 A P G > S+ 0 0 54 0, 0.0 3,-1.8 0, 0.0 6,-0.4 0.798 73.2 70.5 -60.0 -27.6 40.8 55.0 -2.9 51 62 A E G 3 S+ 0 0 120 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.0 0.684 91.7 59.1 -62.8 -17.6 39.9 57.7 -5.4 52 63 A R G < S+ 0 0 81 -3,-1.7 2,-0.4 -7,-0.2 -1,-0.3 0.393 91.7 78.9 -93.0 0.9 36.4 56.2 -5.5 53 64 A I S X S- 0 0 4 -3,-1.8 3,-1.3 -4,-0.1 403,-0.2 -0.937 86.1-129.9-106.4 135.2 35.9 56.8 -1.8 54 65 A L T 3 S+ 0 0 131 401,-2.9 402,-0.1 -2,-0.4 -1,-0.1 0.870 106.6 24.7 -57.3 -45.5 35.0 60.4 -1.0 55 66 A D T 3 S- 0 0 71 400,-0.1 -1,-0.3 401,-0.1 -4,-0.1 0.200 111.5-111.4-103.2 12.7 37.7 60.8 1.8 56 67 A G S < S+ 0 0 37 -3,-1.3 -2,-0.1 -6,-0.4 -5,-0.1 0.649 71.9 139.4 71.3 18.4 40.0 58.1 0.4 57 68 A S - 0 0 20 -7,-0.1 2,-0.3 398,-0.1 -1,-0.2 -0.244 36.6-160.2 -94.7 175.2 39.3 55.8 3.4 58 69 A N - 0 0 50 -2,-0.1 4,-0.3 4,-0.0 3,-0.3 -0.873 30.6-113.3-140.7 172.5 38.7 52.1 3.9 59 70 A S + 0 0 2 -2,-0.3 -29,-0.3 1,-0.2 4,-0.1 -0.223 67.9 127.2-106.2 43.5 37.2 49.9 6.7 60 71 A D S S+ 0 0 44 1,-0.1 -28,-1.0 2,-0.1 -29,-0.5 0.871 97.2 13.4 -59.0 -38.1 40.4 48.2 7.7 61 72 A I S > S+ 0 0 103 -3,-0.3 3,-2.6 -31,-0.3 2,-0.2 0.753 85.5 167.4-106.4 -38.5 39.5 49.3 11.3 62 73 A G T 3 S- 0 0 1 -4,-0.3 -34,-0.2 1,-0.3 -33,-0.2 -0.430 81.4 -33.8 62.0-125.0 35.8 50.4 10.9 63 74 A A T 3 S- 0 0 0 -35,-1.5 -1,-0.3 -2,-0.2 -34,-0.2 0.168 84.5-117.3-106.6 11.2 34.6 50.8 14.5 64 75 A N X> + 0 0 35 -3,-2.6 4,-2.0 -36,-0.2 3,-0.6 0.789 61.3 152.9 63.7 32.9 36.8 47.9 15.6 65 76 A S H 3> + 0 0 0 -37,-2.4 4,-0.7 1,-0.2 -36,-0.2 0.610 60.1 70.2 -75.0 -12.8 33.8 45.8 16.6 66 77 A Y H 34 S+ 0 0 22 -37,-2.2 -1,-0.2 -38,-0.3 3,-0.2 0.944 116.2 25.3 -63.3 -46.4 35.6 42.5 16.0 67 78 A H H <4 S+ 0 0 96 -3,-0.6 3,-0.3 -38,-0.4 -2,-0.2 0.762 130.4 44.6 -85.1 -24.7 37.7 43.4 19.1 68 79 A M H >X + 0 0 40 -4,-2.0 4,-1.5 -39,-0.2 3,-1.0 0.155 68.5 118.5-112.2 17.1 35.1 45.6 20.8 69 80 A Y H 3X + 0 0 33 -4,-0.7 4,-2.2 1,-0.3 5,-0.2 0.774 69.9 65.5 -56.5 -30.4 31.9 43.7 20.4 70 81 A K H 3> S+ 0 0 139 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.877 103.5 44.9 -61.4 -40.7 31.5 43.4 24.2 71 82 A T H <> S+ 0 0 43 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.845 107.9 59.2 -73.9 -27.0 31.1 47.1 24.6 72 83 A D H X S+ 0 0 3 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.946 109.8 43.4 -60.9 -44.7 28.7 47.1 21.6 73 84 A V H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.901 110.6 54.8 -67.4 -41.1 26.5 44.7 23.6 74 85 A R H X S+ 0 0 123 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.902 108.7 49.7 -57.1 -41.5 26.9 46.7 26.8 75 86 A L H X S+ 0 0 3 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.913 110.9 48.2 -64.9 -44.8 25.6 49.8 24.9 76 87 A L H <>S+ 0 0 0 -4,-1.9 5,-2.1 2,-0.2 4,-0.4 0.916 112.8 49.1 -60.3 -43.8 22.6 47.9 23.5 77 88 A K H ><5S+ 0 0 110 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.889 108.8 52.5 -64.7 -43.0 21.8 46.6 27.0 78 89 A E H 3<5S+ 0 0 86 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.830 108.5 50.9 -60.0 -37.4 22.1 50.1 28.6 79 90 A M T 3<5S- 0 0 0 -4,-1.7 409,-0.3 -5,-0.1 -1,-0.3 0.517 112.0-121.0 -81.5 -5.1 19.6 51.5 26.0 80 91 A G T < 5 + 0 0 24 -3,-1.1 -3,-0.2 -4,-0.4 -61,-0.2 0.715 47.5 174.9 72.1 21.5 17.1 48.7 26.8 81 92 A M < - 0 0 8 -5,-2.1 -1,-0.2 -6,-0.2 -61,-0.2 -0.351 27.3-155.0 -61.6 136.0 17.1 47.5 23.2 82 93 A D S S+ 0 0 58 -63,-2.4 42,-2.8 1,-0.1 2,-0.3 0.720 74.3 15.2 -77.9 -27.6 15.1 44.4 22.6 83 94 A A E -bc 20 124A 0 -64,-1.3 -62,-0.9 40,-0.3 2,-0.4 -0.960 57.1-148.3-150.4 158.7 17.1 43.4 19.5 84 95 A Y E -bc 21 125A 3 40,-2.0 42,-2.5 -2,-0.3 2,-0.6 -0.990 11.8-155.1-134.8 124.9 20.3 43.9 17.5 85 96 A R E +bc 22 126A 0 -64,-2.6 -62,-2.3 -2,-0.4 2,-0.3 -0.900 30.3 150.7-100.7 120.8 20.6 43.6 13.8 86 97 A F E - c 0 127A 5 40,-1.6 42,-2.7 -2,-0.6 2,-0.3 -0.898 33.7-122.6-140.2 169.1 24.1 42.7 12.5 87 98 A S E - c 0 128A 2 -2,-0.3 2,-0.4 40,-0.2 42,-0.2 -0.814 13.5-125.2-119.0 159.0 25.6 40.9 9.6 88 99 A I - 0 0 0 40,-2.0 2,-0.8 -2,-0.3 43,-0.3 -0.865 24.9-126.1-101.2 131.9 27.9 37.9 9.1 89 100 A S >> - 0 0 3 -2,-0.4 4,-1.6 1,-0.2 3,-0.7 -0.702 14.0-155.3 -80.0 110.3 31.1 38.4 6.9 90 101 A W H >> S+ 0 0 0 -2,-0.8 4,-2.9 43,-0.5 3,-0.6 0.935 94.8 45.3 -49.3 -54.0 31.0 35.7 4.3 91 102 A P H 34 S+ 0 0 0 0, 0.0 -53,-2.6 0, 0.0 -1,-0.2 0.691 106.9 58.8 -70.9 -17.0 34.8 35.8 3.8 92 103 A R H <4 S+ 0 0 2 -3,-0.7 15,-0.3 -55,-0.3 -2,-0.2 0.823 117.6 33.8 -73.4 -30.4 35.4 35.8 7.6 93 104 A I H << S+ 0 0 0 -4,-1.6 11,-2.6 -3,-0.6 15,-0.2 0.811 137.0 20.9 -87.9 -40.2 33.5 32.5 7.8 94 105 A L S >< S- 0 0 0 -4,-2.9 3,-1.8 -5,-0.2 -1,-0.3 -0.818 70.8-168.7-135.3 86.0 34.6 31.0 4.4 95 106 A P T 3 S+ 0 0 33 0, 0.0 42,-0.3 0, 0.0 -56,-0.1 0.728 91.0 36.3 -56.8 -28.9 37.8 32.7 3.3 96 107 A K T 3 S- 0 0 122 6,-0.4 3,-0.1 2,-0.3 4,-0.1 0.357 111.3-120.2-100.5 -1.0 37.7 31.3 -0.2 97 108 A G S < S+ 0 0 0 -3,-1.8 2,-0.3 1,-0.2 63,-0.2 0.487 79.8 88.4 81.1 5.0 33.9 31.5 -0.4 98 109 A T S > S- 0 0 12 4,-0.1 4,-0.6 1,-0.1 -2,-0.3 -0.860 84.4-116.9-131.6 162.5 33.5 27.8 -0.9 99 110 A K T >4 S+ 0 0 147 -2,-0.3 3,-1.0 1,-0.2 4,-0.1 0.883 115.5 60.4 -58.7 -41.5 33.1 24.5 1.0 100 111 A E T 34 S+ 0 0 160 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.866 100.4 53.8 -55.8 -41.3 36.4 23.4 -0.7 101 112 A G T 34 S- 0 0 25 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.2 0.654 110.7-127.9 -74.7 -19.8 38.2 26.2 1.0 102 113 A G << - 0 0 29 -3,-1.0 -6,-0.4 -4,-0.6 2,-0.3 0.157 19.6 -70.7 94.5 155.9 37.0 25.3 4.5 103 114 A I - 0 0 71 -9,-0.1 -9,-0.2 -4,-0.1 -10,-0.1 -0.633 41.3-129.9 -82.2 139.8 35.3 26.9 7.4 104 115 A N >> - 0 0 17 -11,-2.6 4,-1.8 -2,-0.3 3,-1.0 -0.814 13.8-158.2 -94.2 108.4 37.4 29.5 9.4 105 116 A P H 3> S+ 0 0 92 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.801 90.2 54.6 -62.4 -32.4 37.0 28.5 13.1 106 117 A D H 3> S+ 0 0 64 -71,-0.2 4,-1.5 2,-0.2 -70,-0.1 0.781 107.6 52.4 -69.8 -28.8 38.0 32.0 14.5 107 118 A G H <> S+ 0 0 1 -3,-1.0 4,-1.7 -15,-0.3 5,-0.2 0.933 110.4 45.9 -67.8 -49.3 35.2 33.4 12.3 108 119 A I H X S+ 0 0 18 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.922 111.6 52.9 -57.5 -46.2 32.6 31.0 13.7 109 120 A K H X S+ 0 0 127 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.863 105.0 55.4 -62.8 -39.1 33.7 31.6 17.2 110 121 A Y H X S+ 0 0 13 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.950 113.4 38.7 -59.1 -52.3 33.4 35.4 16.9 111 122 A Y H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.873 114.1 56.1 -70.7 -34.1 29.7 35.3 15.8 112 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52.8-137.8 -61.4 24.6 28.0 -10.7 152 163 A S H > S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.910 112.5 45.3 -57.1 -50.9 28.0 28.5 -9.0 153 164 A I H > S+ 0 0 0 -9,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.827 112.8 53.0 -62.7 -32.6 27.0 31.6 -7.0 154 165 A V H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.940 111.7 44.2 -68.6 -46.9 23.8 29.9 -6.0 155 166 A E H X S+ 0 0 99 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.887 115.9 47.8 -63.8 -39.6 25.5 26.8 -4.7 156 167 A D H X S+ 0 0 26 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.904 114.1 45.4 -73.0 -41.0 28.2 28.9 -2.9 157 168 A Y H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.905 112.6 51.4 -65.6 -40.3 25.7 31.2 -1.3 158 169 A T H X S+ 0 0 22 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.903 110.1 49.0 -67.7 -38.6 23.5 28.3 -0.3 159 170 A Y H X S+ 0 0 44 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.893 109.6 52.5 -63.7 -39.8 26.5 26.6 1.3 160 171 A F H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.938 110.5 47.5 -59.8 -46.5 27.3 29.8 3.2 161 172 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.893 109.5 54.2 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77.5-109.4 -29.9 20.4 30.2 19.0 172 183 A V < + 0 0 0 -4,-2.3 3,-0.1 1,-0.1 -46,-0.1 -0.772 42.2 168.3 -90.8 125.4 19.3 32.5 16.1 173 184 A K + 0 0 54 -2,-0.5 71,-2.2 -48,-0.4 2,-0.4 0.308 65.4 60.3-112.9 1.8 15.5 32.6 15.4 174 185 A N E + e 0 244A 6 -49,-0.4 -47,-2.6 69,-0.2 2,-0.4 -0.923 61.9 175.2-141.5 111.3 15.6 35.6 13.0 175 186 A W E -de 127 245A 0 69,-2.3 71,-1.8 -2,-0.4 2,-0.5 -0.937 16.9-168.2-122.2 136.1 17.4 35.4 9.6 176 187 A L E -de 128 246A 3 -49,-2.8 -47,-2.9 -2,-0.4 -46,-0.5 -0.990 7.7-163.1-120.4 115.9 17.6 37.9 6.7 177 188 A T E S+ 0 0 0 69,-2.8 -47,-1.0 -2,-0.5 2,-0.3 0.918 71.2 16.1 -65.0 -45.0 19.2 36.3 3.7 178 189 A F E -d 130 0A 2 68,-0.3 70,-2.5 -49,-0.2 2,-0.4 -0.974 61.2-146.0-135.1 145.6 20.0 39.5 1.8 179 190 A N E S- e 0 248A 1 -49,-1.8 70,-0.2 -2,-0.3 5,-0.2 -0.952 77.9 -19.5-107.8 130.0 20.2 43.3 2.5 180 191 A D > + 0 0 13 68,-1.7 4,-2.8 -2,-0.4 5,-0.2 0.890 61.2 179.7 44.6 59.3 19.2 45.8 -0.1 181 192 A P H > S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.871 81.5 52.7 -52.4 -36.1 19.3 43.7 -3.3 182 193 A Q H > S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.950 113.0 40.2 -69.1 -51.8 18.2 46.8 -5.3 183 194 A T H > S+ 0 0 20 2,-0.2 4,-2.7 1,-0.2 5,-0.4 0.925 116.1 52.8 -59.1 -44.6 20.9 49.2 -4.0 184 195 A F H X S+ 0 0 2 -4,-2.8 4,-1.9 1,-0.2 5,-0.2 0.941 116.2 36.4 -60.8 -49.6 23.5 46.5 -4.2 185 196 A T H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 5,-0.3 0.925 119.9 47.6 -71.4 -43.0 22.9 45.5 -7.8 186 197 A S H X>S+ 0 0 3 -4,-2.5 5,-2.0 -5,-0.3 4,-1.2 0.885 119.4 37.8 -66.7 -41.5 22.2 49.1 -9.0 187 198 A F H <5S+ 0 0 71 -4,-2.7 7,-1.9 -5,-0.3 6,-0.7 0.814 119.5 46.5 -82.9 -30.7 25.2 50.7 -7.4 188 199 A S H <5S+ 0 0 0 -4,-1.9 10,-2.0 -5,-0.4 9,-0.5 0.848 133.6 12.8 -76.7 -34.6 27.7 47.9 -7.9 189 200 A Y H <5S+ 0 0 0 -4,-2.0 22,-0.4 -5,-0.2 26,-0.2 0.373 129.0 45.9-127.8 1.0 26.9 47.2 -11.6 190 201 A G T <5S+ 0 0 0 -4,-1.2 10,-0.5 -5,-0.3 -3,-0.2 0.772 132.6 7.9-109.7 -70.8 24.8 50.2 -12.8 191 202 A T S S- 0 0 6 -7,-1.9 3,-1.5 4,-0.1 4,-0.3 -0.793 102.6 -45.1-105.9 155.1 30.0 50.3 -5.1 195 206 A A T 3 S+ 0 0 0 1,-0.3 -153,-0.1 -2,-0.3 -1,-0.1 -0.296 124.8 25.6 -52.5 139.0 32.5 47.5 -5.4 196 207 A P T 3 S- 0 0 28 0, 0.0 -1,-0.3 0, 0.0 -7,-0.1 -0.999 95.6-137.3 -86.5 -1.6 33.6 46.2 -7.8 197 208 A G < + 0 0 0 -3,-1.5 10,-2.3 -9,-0.5 2,-0.3 0.882 37.7 163.2 96.2 45.9 32.8 49.4 -9.6 198 209 A R B +j 207 0C 61 -10,-2.0 -6,-0.3 -4,-0.3 2,-0.3 -0.740 1.5 144.7-104.1 144.5 31.3 48.3 -12.9 199 210 A a - 0 0 0 8,-1.5 11,-2.3 -2,-0.3 -8,-0.1 -0.956 50.4 -67.4-161.3 170.8 29.2 50.4 -15.4 200 211 A S > - 0 0 19 -10,-0.5 3,-1.8 -2,-0.3 11,-0.2 -0.307 64.0 -85.9 -64.5 148.7 28.6 50.8 -19.2 201 212 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 -0.301 117.5 35.2 -47.4 136.4 31.4 52.2 -21.4 202 213 A G T 3 S+ 0 0 82 1,-0.3 2,-0.3 6,-0.2 -2,-0.1 0.250 95.9 108.7 97.1 -11.9 31.2 56.0 -21.4 203 214 A L S < S- 0 0 58 -3,-1.8 2,-1.3 5,-0.1 -1,-0.3 -0.685 77.6-105.4-102.5 156.6 30.2 56.3 -17.8 204 215 A D S S+ 0 0 138 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.0 -0.627 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-0.992 92.0-129.6-122.5 127.1 -38.8 49.0 -34.7 957 477 B Y E - G 0 967O 16 10,-2.7 10,-1.7 -2,-0.4 2,-0.5 -0.465 14.4-152.9 -72.5 142.1 -39.3 45.7 -36.6 958 478 B V E - G 0 966O 3 8,-0.2 2,-1.0 -2,-0.2 8,-0.2 -0.951 5.4-149.5-120.7 111.5 -38.6 45.7 -40.3 959 479 B D E > + G 0 965O 26 6,-2.7 5,-1.4 -2,-0.5 6,-0.9 -0.685 15.7 180.0 -81.9 102.5 -40.5 43.1 -42.4 960 480 B R T 5S+ 0 0 121 -2,-1.0 -1,-0.2 1,-0.2 -407,-0.0 0.709 80.2 61.9 -73.4 -23.4 -38.2 42.1 -45.2 961 481 B N T 5S+ 0 0 162 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.732 111.5 39.8 -73.9 -24.1 -40.9 39.7 -46.6 962 482 B N T 5S- 0 0 80 -3,-0.4 -2,-0.1 3,-0.1 -4,-0.0 0.492 130.3 -69.4 -87.9-121.9 -43.2 42.7 -47.1 963 483 B N T 5S- 0 0 125 -4,-0.1 -3,-0.2 -409,-0.0 3,-0.1 -0.431 83.7 -72.3-130.5 59.8 -41.5 45.8 -48.4 964 484 B C S - 0 0 1 -14,-2.2 4,-2.0 -2,-0.1 3,-0.2 -0.468 32.6 -97.7 -88.0 169.6 -42.0 47.0 -30.9 970 490 B E H > S+ 0 0 48 -65,-2.7 4,-2.3 1,-0.2 5,-0.2 0.878 125.7 59.0 -56.4 -39.1 -42.9 47.1 -27.2 971 491 B S H > S+ 0 0 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-24.3 981 501 B A < 0 0 122 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.1 0.865 360.0 360.0 -62.2 360.0 -45.7 61.9 -20.8