==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-JUN-03 1OIN . COMPND 2 MOLECULE: BETA-GLUCOSIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR T.GLOSTER,D.L.ZECHEL,A.B.BORASTON,C.M.BORASTON,J.M.MACDONALD . 885 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32316.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 697 78.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 107 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 68 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 291 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 3.1 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 8 0 2 2 0 4 0 1 1 0 4 2 4 0 0 2 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 3 11 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 PARALLEL BRIDGES PER LADDER . 4 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 4 0 0 0 0 0 2 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 N 0 0 100 0, 0.0 2,-0.4 0, 0.0 441,-0.0 0.000 360.0 360.0 360.0 -86.9 -27.4 21.1 20.7 2 3 A V - 0 0 113 441,-0.2 2,-0.6 1,-0.1 441,-0.2 -0.510 360.0-172.0 -62.3 114.9 -25.6 24.3 19.8 3 4 A K E -A 442 0A 58 439,-1.1 439,-1.9 -2,-0.4 2,-0.3 -0.849 7.4-175.1-113.7 93.0 -21.8 23.8 20.4 4 5 A K E -A 441 0A 125 -2,-0.6 437,-0.2 437,-0.2 436,-0.1 -0.713 12.4-143.9 -94.1 138.9 -20.1 27.2 20.0 5 6 A F - 0 0 11 435,-2.4 376,-0.0 -2,-0.3 -1,-0.0 -0.580 34.3 -78.0 -98.1 159.2 -16.3 27.5 20.1 6 7 A P > - 0 0 57 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 -0.054 46.4-105.5 -55.5 160.4 -14.2 30.4 21.6 7 8 A E T 3 S+ 0 0 183 1,-0.2 -2,-0.1 -3,-0.1 433,-0.0 0.828 115.9 48.9 -64.0 -34.3 -13.8 33.6 19.6 8 9 A G T 3 S+ 0 0 64 2,-0.1 -1,-0.2 384,-0.0 383,-0.1 0.769 79.1 148.2 -68.8 -19.5 -10.2 33.0 18.6 9 10 A F < - 0 0 4 -3,-1.0 2,-0.9 1,-0.1 383,-0.2 0.274 40.4-144.0 -47.4 123.7 -10.7 29.5 17.3 10 11 A L E -b 392 0B 34 381,-2.3 383,-2.5 63,-0.0 2,-0.6 -0.700 11.7-164.9 -85.7 107.6 -8.5 28.4 14.5 11 12 A W E +b 393 0B 0 -2,-0.9 63,-1.5 381,-0.2 62,-1.3 -0.856 27.1 173.3 -91.3 120.6 -10.4 26.1 12.1 12 13 A G E -bc 394 74B 0 381,-3.2 383,-2.2 -2,-0.6 2,-0.3 -0.774 36.5-146.5-129.1 166.5 -7.9 24.4 9.9 13 14 A V E -bc 395 75B 0 61,-1.9 63,-2.8 -2,-0.3 2,-0.3 -0.956 24.9-150.0-124.8 158.2 -7.0 21.9 7.3 14 15 A A E +bc 396 76B 0 381,-2.1 384,-1.1 -2,-0.3 383,-0.5 -0.947 20.1 158.6-133.5 143.4 -3.7 20.0 7.1 15 16 A T - 0 0 1 61,-2.5 2,-0.3 -2,-0.3 386,-0.0 -0.825 26.4-129.5-139.2-176.1 -1.3 18.4 4.5 16 17 A A > - 0 0 0 -2,-0.2 4,-1.1 61,-0.1 5,-0.3 -0.992 21.8-121.5-143.0 143.2 2.3 17.4 4.1 17 18 A S H >> S+ 0 0 2 -2,-0.3 4,-2.7 1,-0.2 3,-1.0 0.901 109.7 41.3 -46.7 -59.4 4.9 18.2 1.3 18 19 A Y H 34 S+ 0 0 11 102,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.842 112.2 57.6 -65.4 -29.7 5.7 14.6 0.2 19 20 A Q H 34 S+ 0 0 1 -3,-0.2 383,-2.4 1,-0.1 -1,-0.2 0.740 125.3 12.7 -74.3 -20.4 2.1 13.5 0.4 20 21 A I H << S+ 0 0 2 -4,-1.1 36,-2.2 -3,-1.0 34,-0.7 0.683 109.3 72.0-124.4 -28.2 0.7 16.1 -2.0 21 22 A E < - 0 0 7 -4,-2.7 36,-2.3 -5,-0.3 37,-0.3 0.886 60.0-175.6 -70.7 -44.0 3.4 18.0 -4.0 22 23 A G + 0 0 3 -4,-0.3 30,-0.3 -5,-0.3 29,-0.2 -0.239 56.2 85.1 61.2-167.3 4.8 15.5 -6.6 23 24 A S > + 0 0 35 28,-2.5 3,-1.3 1,-0.1 28,-0.1 0.892 53.5 172.6 45.0 50.5 7.7 16.8 -8.7 24 25 A P T 3 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 27,-0.1 0.759 76.3 38.9 -62.6 -25.8 10.2 15.7 -5.9 25 26 A L T > S+ 0 0 86 26,-0.1 3,-0.6 3,-0.1 4,-0.2 0.325 88.4 124.8-107.5 8.0 13.2 16.4 -8.1 26 27 A A G X S+ 0 0 29 -3,-1.3 3,-1.8 1,-0.2 -4,-0.0 -0.246 71.5 9.7 -65.3 151.7 12.0 19.6 -9.8 27 28 A D G 3 S- 0 0 76 1,-0.3 -1,-0.2 68,-0.0 69,-0.2 0.798 133.6 -50.6 53.7 41.8 13.9 22.9 -9.7 28 29 A G G < S+ 0 0 44 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.582 88.4 158.7 77.5 11.0 17.2 21.6 -8.2 29 30 A A < - 0 0 13 -3,-1.8 54,-0.3 -4,-0.2 -1,-0.2 -0.386 37.4-126.4 -63.3 141.4 15.6 19.7 -5.2 30 31 A G - 0 0 13 52,-2.6 57,-0.1 1,-0.1 2,-0.1 -0.469 33.8 -91.1 -77.7 159.8 17.7 16.9 -3.6 31 32 A M - 0 0 74 -2,-0.1 94,-2.6 55,-0.1 95,-0.5 -0.426 39.8-147.4 -60.2 143.6 16.3 13.4 -3.2 32 33 A S B > -J 124 0C 6 92,-0.3 4,-1.8 93,-0.1 3,-0.2 -0.734 27.7-108.2-101.2 167.9 14.5 12.7 0.1 33 34 A I H > S+ 0 0 3 90,-2.6 4,-2.2 -2,-0.3 5,-0.1 0.721 121.2 57.7 -63.8 -22.5 14.5 9.3 2.0 34 35 A W H > S+ 0 0 2 89,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.874 103.6 52.0 -77.5 -35.7 10.8 9.0 1.0 35 36 A H H > S+ 0 0 20 -3,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.954 117.5 38.0 -55.9 -48.3 11.8 9.3 -2.7 36 37 A T H < S+ 0 0 33 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.878 117.4 51.0 -79.3 -35.7 14.4 6.5 -2.3 37 38 A F H >< S+ 0 0 11 -4,-2.2 3,-1.5 1,-0.2 6,-0.2 0.928 111.9 45.3 -63.0 -45.5 12.2 4.5 0.0 38 39 A S H 3< S+ 0 0 5 -4,-2.7 6,-0.2 1,-0.3 -2,-0.2 0.774 109.0 57.5 -78.6 -20.6 9.1 4.5 -2.2 39 40 A H T 3< S+ 0 0 88 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.377 87.4 94.9 -81.5 1.4 11.3 3.7 -5.3 40 41 A T S X S- 0 0 67 -3,-1.5 3,-1.5 -4,-0.1 4,-0.4 -0.840 87.7-110.3 -93.4 131.5 12.5 0.5 -3.5 41 42 A P T 3 S+ 0 0 122 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.314 97.6 18.7 -61.2 136.1 10.4 -2.6 -4.5 42 43 A G T 3 S+ 0 0 81 2,-0.3 3,-0.1 -4,-0.1 -4,-0.1 0.294 97.6 96.2 93.6 -8.5 8.2 -4.0 -1.8 43 44 A N S < S+ 0 0 52 -3,-1.5 2,-0.4 -6,-0.2 -5,-0.1 0.849 82.0 38.4 -85.7 -35.9 8.1 -0.9 0.5 44 45 A V S > S- 0 0 9 -4,-0.4 3,-2.4 -6,-0.2 -2,-0.3 -0.959 93.3 -95.0-122.5 135.4 4.9 0.8 -0.6 45 46 A K G > S- 0 0 46 360,-2.8 3,-2.2 -2,-0.4 363,-0.2 -0.131 107.5 -2.2 -44.2 134.0 1.5 -0.7 -1.5 46 47 A N G 3 S- 0 0 124 1,-0.3 -1,-0.3 361,-0.1 360,-0.0 0.575 120.0 -77.5 55.0 14.6 1.1 -1.1 -5.3 47 48 A G G < S+ 0 0 55 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.692 80.7 170.2 72.2 14.3 4.5 0.4 -5.9 48 49 A D < - 0 0 35 -3,-2.2 2,-0.3 -4,-0.1 -1,-0.2 -0.197 7.8-179.8 -60.8 148.9 3.1 3.9 -5.3 49 50 A T >> - 0 0 24 -10,-0.1 3,-0.5 4,-0.0 4,-0.5 -0.913 42.1-109.8-138.5 173.6 5.4 6.9 -5.0 50 51 A G T 34 S+ 0 0 1 -2,-0.3 -28,-0.3 1,-0.2 -15,-0.1 0.210 81.0 113.5 -86.2 17.3 5.3 10.6 -4.4 51 52 A D T 34 S- 0 0 60 -29,-0.2 -28,-2.5 -28,-0.1 -1,-0.2 0.884 100.2 -1.9 -53.5 -41.9 6.4 11.3 -8.0 52 53 A V T X4 S+ 0 0 87 -3,-0.5 3,-2.4 -30,-0.3 5,-0.2 0.747 83.1 153.3-119.1 -50.4 3.1 12.9 -8.9 53 54 A A T 3< S- 0 0 4 -4,-0.5 -33,-0.2 1,-0.3 -32,-0.1 -0.288 84.5 -22.8 55.7-131.1 0.8 12.7 -5.9 54 55 A C T 3 S- 0 0 0 -34,-0.7 -1,-0.3 -35,-0.1 -33,-0.1 0.313 83.6-125.1 -89.5 5.6 -1.8 15.6 -6.0 55 56 A D X> + 0 0 23 -3,-2.4 4,-2.4 1,-0.1 3,-1.9 0.774 58.2 152.0 48.2 37.7 0.5 17.6 -8.3 56 57 A H H 3> + 0 0 4 -36,-2.2 4,-1.5 1,-0.3 -35,-0.2 0.766 58.0 76.3 -67.7 -25.0 0.2 20.4 -5.7 57 58 A Y H 34 S+ 0 0 14 -36,-2.3 -1,-0.3 -37,-0.3 -35,-0.1 0.802 114.7 21.0 -54.4 -32.4 3.7 21.6 -6.8 58 59 A N H <4 S+ 0 0 104 -3,-1.9 3,-0.3 -37,-0.3 -2,-0.2 0.686 128.7 48.6-100.1 -28.8 1.8 22.9 -9.9 59 60 A R H X S+ 0 0 85 -4,-2.4 4,-2.1 1,-0.2 3,-0.3 0.239 71.4 117.9-102.6 11.2 -1.8 23.2 -8.6 60 61 A W H X S+ 0 0 37 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.820 73.1 52.0 -44.7 -47.6 -1.0 25.0 -5.3 61 62 A K H > S+ 0 0 115 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.937 109.5 49.2 -61.5 -47.2 -3.0 28.2 -6.1 62 63 A E H > S+ 0 0 74 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.905 111.7 50.6 -56.6 -43.5 -6.2 26.2 -7.0 63 64 A D H X S+ 0 0 1 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.896 110.6 46.8 -65.6 -42.2 -5.8 24.3 -3.7 64 65 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 3,-0.3 0.945 108.3 56.6 -65.3 -45.0 -5.5 27.4 -1.6 65 66 A E H X S+ 0 0 72 -4,-2.9 4,-3.3 1,-0.3 -2,-0.2 0.885 105.2 53.5 -52.4 -37.9 -8.5 28.9 -3.5 66 67 A I H X S+ 0 0 23 -4,-2.0 4,-2.1 2,-0.2 -1,-0.3 0.900 108.3 48.2 -60.1 -43.4 -10.4 25.8 -2.3 67 68 A I H X>S+ 0 0 1 -4,-1.6 5,-2.0 -3,-0.3 4,-0.5 0.947 114.9 46.3 -59.8 -49.0 -9.3 26.6 1.3 68 69 A E H ><5S+ 0 0 84 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.957 112.5 48.7 -56.5 -58.9 -10.5 30.2 0.8 69 70 A K H 3<5S+ 0 0 184 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.842 110.2 52.0 -50.0 -40.2 -13.8 29.2 -0.8 70 71 A L H 3<5S- 0 0 10 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.616 109.8-128.4 -72.1 -15.0 -14.4 26.8 2.1 71 72 A G T <<5 + 0 0 38 -3,-2.0 -3,-0.2 -4,-0.5 2,-0.2 0.692 47.3 165.2 70.9 20.9 -13.7 29.7 4.5 72 73 A V < - 0 0 3 -5,-2.0 -1,-0.2 -6,-0.2 -60,-0.2 -0.495 27.4-154.1 -71.1 137.2 -11.1 27.6 6.4 73 74 A K + 0 0 94 -62,-1.3 40,-2.6 -2,-0.2 2,-0.3 0.656 67.3 37.1 -92.6 -16.5 -9.1 29.9 8.6 74 75 A A E -cd 12 113B 0 -63,-1.5 -61,-1.9 38,-0.2 2,-0.5 -0.998 57.3-159.6-144.5 140.8 -5.8 28.0 9.0 75 76 A Y E -cd 13 114B 1 38,-2.0 40,-2.9 -2,-0.3 2,-0.7 -0.978 5.2-160.0-126.9 115.0 -3.6 25.8 6.8 76 77 A R E +cd 14 115B 0 -63,-2.8 -61,-2.5 -2,-0.5 2,-0.3 -0.868 28.6 156.6 -89.1 114.2 -1.1 23.4 8.2 77 78 A F E - d 0 116B 7 38,-1.8 40,-3.1 -2,-0.7 2,-0.3 -0.882 30.1-129.9-133.5 166.0 1.5 22.5 5.6 78 79 A S E - d 0 117B 1 -2,-0.3 2,-0.5 38,-0.2 40,-0.2 -0.828 11.4-129.2-118.6 158.8 5.1 21.3 5.6 79 80 A I - 0 0 0 38,-1.8 2,-0.9 -2,-0.3 41,-0.4 -0.898 22.3-125.2-107.3 131.0 8.3 22.3 3.9 80 81 A S >> - 0 0 10 -2,-0.5 3,-1.7 1,-0.2 4,-1.2 -0.662 16.7-154.0 -73.5 103.8 10.4 19.8 2.0 81 82 A W H >> S+ 0 0 0 -2,-0.9 4,-2.9 1,-0.3 3,-1.0 0.926 93.5 52.6 -45.8 -50.9 13.9 20.0 3.6 82 83 A P H 34 S+ 0 0 2 0, 0.0 -52,-2.6 0, 0.0 -1,-0.3 0.644 101.6 59.3 -67.8 -16.0 15.6 18.8 0.4 83 84 A R H <4 S+ 0 0 8 -3,-1.7 13,-0.5 -54,-0.3 14,-0.2 0.761 116.3 36.4 -69.5 -29.1 13.8 21.5 -1.8 84 85 A I H << S+ 0 0 0 -4,-1.2 9,-3.0 -3,-1.0 13,-0.1 0.891 136.1 17.7 -89.2 -46.1 15.5 24.1 0.5 85 86 A L S >< S- 0 0 0 -4,-2.9 3,-1.8 7,-0.2 -1,-0.3 -0.905 70.4-166.3-129.0 91.7 18.9 22.5 1.1 86 87 A P T 3 S+ 0 0 4 0, 0.0 40,-0.4 0, 0.0 39,-0.1 0.795 92.9 37.1 -54.1 -33.0 19.4 19.8 -1.6 87 88 A E T 3 S- 0 0 95 4,-0.3 2,-0.6 2,-0.3 5,-0.1 0.263 117.4-112.4 -97.8 5.2 22.4 18.2 0.3 88 89 A G S < S+ 0 0 0 -3,-1.8 2,-0.3 3,-0.2 57,-0.1 -0.187 93.6 33.3 93.6 -43.8 20.7 18.9 3.7 89 90 A T S S+ 0 0 33 -2,-0.6 2,-0.7 55,-0.1 -2,-0.3 -0.895 106.6 24.4-130.3 173.7 23.2 21.4 4.8 90 91 A G S S+ 0 0 49 -2,-0.3 -2,-0.0 -4,-0.1 0, 0.0 -0.698 97.5 61.4 83.8-114.9 25.3 24.1 3.0 91 92 A R - 0 0 130 -2,-0.7 2,-0.4 1,-0.1 -4,-0.3 -0.167 66.4-148.1 -61.6 133.3 23.8 25.2 -0.3 92 93 A V - 0 0 61 -7,-0.2 2,-0.9 -6,-0.1 -7,-0.2 -0.861 9.3-139.2-101.4 132.3 20.4 26.9 -0.3 93 94 A N >> - 0 0 17 -9,-3.0 4,-1.6 -2,-0.4 3,-1.0 -0.776 9.6-163.6 -95.5 101.8 18.1 26.4 -3.3 94 95 A Q H 3> S+ 0 0 102 -2,-0.9 4,-2.4 1,-0.3 -1,-0.2 0.859 88.5 59.3 -56.6 -34.4 16.4 29.7 -4.1 95 96 A K H 3> S+ 0 0 122 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.831 103.4 52.4 -66.1 -31.9 13.7 28.0 -6.3 96 97 A G H <> S+ 0 0 2 -3,-1.0 4,-1.5 -13,-0.5 -1,-0.2 0.922 110.0 46.9 -64.8 -47.4 12.6 26.0 -3.3 97 98 A L H X S+ 0 0 2 -4,-1.6 4,-3.0 -14,-0.2 -2,-0.2 0.885 109.3 56.0 -60.0 -38.2 12.2 29.1 -1.1 98 99 A D H X S+ 0 0 57 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.928 102.8 55.6 -65.4 -42.4 10.3 30.7 -4.0 99 100 A F H X S+ 0 0 0 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.902 114.9 37.3 -51.2 -49.8 7.8 27.8 -4.1 100 101 A Y H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.863 111.3 60.7 -77.1 -33.7 6.9 28.2 -0.4 101 102 A N H X S+ 0 0 28 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.944 104.6 49.5 -53.0 -50.2 7.2 32.0 -0.6 102 103 A R H X S+ 0 0 109 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.890 112.4 47.2 -57.1 -42.6 4.3 32.0 -3.2 103 104 A I H X S+ 0 0 1 -4,-1.3 4,-2.3 -5,-0.2 -1,-0.2 0.902 113.1 48.2 -66.1 -43.8 2.1 29.8 -1.0 104 105 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.945 113.2 47.0 -64.2 -47.5 2.7 31.9 2.2 105 106 A D H X S+ 0 0 75 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.914 112.2 51.4 -61.6 -41.4 2.0 35.2 0.4 106 107 A T H X S+ 0 0 17 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.2 0.897 109.8 48.5 -61.3 -45.1 -1.1 33.7 -1.2 107 108 A L H <>S+ 0 0 0 -4,-2.3 5,-3.1 2,-0.2 -1,-0.2 0.923 113.8 46.5 -61.2 -47.4 -2.5 32.4 2.2 108 109 A L H ><5S+ 0 0 65 -4,-2.4 3,-2.7 1,-0.2 -2,-0.2 0.947 108.3 55.3 -61.1 -49.2 -1.9 35.8 3.9 109 110 A E H 3<5S+ 0 0 157 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.843 113.4 44.0 -50.1 -36.2 -3.4 37.7 1.0 110 111 A K T 3<5S- 0 0 47 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.266 119.2-110.9 -99.0 12.1 -6.5 35.6 1.5 111 112 A G T < 5 + 0 0 60 -3,-2.7 2,-0.4 1,-0.2 -3,-0.2 0.754 69.5 140.1 61.7 30.0 -6.5 35.8 5.2 112 113 A I < - 0 0 5 -5,-3.1 -38,-0.2 -6,-0.1 -1,-0.2 -0.865 51.2-127.4 -97.5 136.7 -5.6 32.2 5.9 113 114 A T E -d 74 0B 44 -40,-2.6 -38,-2.0 -2,-0.4 2,-0.4 -0.747 18.9-138.7 -87.1 112.1 -3.1 31.6 8.8 114 115 A P E -d 75 0B 4 0, 0.0 45,-0.6 0, 0.0 2,-0.6 -0.549 15.7-171.3 -72.2 122.4 -0.0 29.4 7.8 115 116 A F E -de 76 159B 0 -40,-2.9 -38,-1.8 -2,-0.4 2,-0.6 -0.951 18.4-155.9-108.0 107.6 1.1 26.8 10.4 116 117 A V E -de 77 160B 0 43,-2.1 45,-3.0 -2,-0.6 2,-0.6 -0.749 10.8-155.1 -94.2 118.4 4.4 25.5 9.0 117 118 A T E -de 78 161B 0 -40,-3.1 -38,-1.8 -2,-0.6 3,-0.2 -0.822 4.9-162.8 -82.4 119.9 5.7 22.0 9.9 118 119 A I E S+ 0 0 0 43,-3.6 2,-0.5 -2,-0.6 -37,-0.2 0.935 78.2 28.3 -67.5 -44.6 9.5 22.2 9.5 119 120 A Y E + e 0 163B 2 43,-1.6 45,-2.4 42,-0.4 -1,-0.3 -0.927 55.4 158.0-129.4 107.8 9.9 18.4 9.4 120 121 A H S S- 0 0 2 -2,-0.5 -102,-0.3 -41,-0.4 -42,-0.1 -0.393 76.3 -75.5-127.6 52.3 7.2 16.0 8.2 121 122 A W S S+ 0 0 12 1,-0.1 2,-1.3 43,-0.1 -88,-0.1 0.155 96.4 115.4 90.0 -12.0 9.4 13.0 7.3 122 123 A D + 0 0 2 -43,-0.2 -41,-0.2 -89,-0.1 -1,-0.1 -0.452 43.2 179.5 -90.3 65.3 11.2 13.9 4.0 123 124 A L - 0 0 0 -2,-1.3 -90,-2.6 1,-0.1 -89,-0.3 -0.310 40.7 -97.6 -54.8 138.4 14.8 14.0 5.3 124 125 A P B >> -J 32 0C 0 0, 0.0 3,-1.5 0, 0.0 4,-1.3 -0.484 26.6-133.5 -58.3 129.9 17.3 14.8 2.6 125 126 A F H 3> S+ 0 0 57 -94,-2.6 4,-1.8 1,-0.3 3,-0.2 0.836 104.4 66.5 -51.8 -37.3 18.8 11.5 1.3 126 127 A A H 34 S+ 0 0 32 -95,-0.5 4,-0.3 -40,-0.4 -1,-0.3 0.791 102.4 46.9 -59.2 -30.2 22.2 13.1 1.6 127 128 A L H X4>S+ 0 0 0 -3,-1.5 5,-2.6 2,-0.2 3,-0.7 0.796 104.6 58.4 -80.0 -33.1 21.8 13.2 5.4 128 129 A Q H ><5S+ 0 0 31 -4,-1.3 3,-2.3 3,-0.2 -2,-0.2 0.871 97.9 61.8 -61.0 -37.1 20.5 9.6 5.7 129 130 A L T 3<5S+ 0 0 126 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.777 105.1 48.7 -58.7 -25.9 23.9 8.6 4.0 130 131 A K T < 5S- 0 0 108 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.070 137.5 -87.1 -97.4 21.1 25.4 10.1 7.2 131 132 A G T X 5 - 0 0 27 -3,-2.3 3,-1.9 3,-0.1 -3,-0.2 0.272 51.9-146.5 98.8 -12.3 23.1 8.2 9.5 132 133 A G G > S+ 0 0 125 -2,-0.5 3,-1.6 1,-0.3 4,-0.3 0.784 96.1 72.7 -54.6 -32.5 24.0 13.1 17.0 137 138 A E T >> S+ 0 0 99 1,-0.3 4,-2.0 2,-0.2 3,-0.8 0.645 73.3 83.9 -58.2 -17.9 25.1 15.7 14.5 138 139 A I H <> S+ 0 0 0 -3,-2.4 4,-3.2 -6,-0.3 5,-0.3 0.830 78.1 67.2 -57.5 -27.6 21.5 15.9 13.2 139 140 A A H <> S+ 0 0 2 -3,-1.6 4,-1.8 -4,-0.2 -1,-0.2 0.924 106.5 41.2 -57.3 -41.6 20.8 18.4 16.0 140 141 A D H <> S+ 0 0 75 -3,-0.8 4,-2.2 -4,-0.3 -2,-0.2 0.871 114.7 50.1 -67.1 -47.8 23.2 20.8 14.2 141 142 A W H X S+ 0 0 13 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.933 113.6 46.7 -57.9 -43.5 21.9 20.0 10.7 142 143 A F H X S+ 0 0 0 -4,-3.2 4,-3.3 1,-0.2 5,-0.2 0.910 110.7 52.1 -64.8 -43.0 18.3 20.5 11.9 143 144 A A H X S+ 0 0 5 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.2 0.892 110.4 48.3 -60.1 -45.0 19.2 23.8 13.6 144 145 A E H X S+ 0 0 73 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.934 112.7 48.1 -62.9 -48.1 20.9 25.1 10.4 145 146 A Y H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 3,-0.3 0.958 112.5 49.0 -57.3 -51.5 17.8 24.1 8.3 146 147 A S H X S+ 0 0 0 -4,-3.3 4,-3.1 1,-0.2 5,-0.2 0.912 107.0 55.7 -53.7 -47.5 15.4 25.8 10.8 147 148 A R H X S+ 0 0 138 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.882 106.3 51.2 -53.5 -43.1 17.5 29.0 10.9 148 149 A V H X S+ 0 0 23 -4,-1.9 4,-2.0 -3,-0.3 -1,-0.2 0.934 111.5 46.7 -63.4 -45.5 17.1 29.2 7.1 149 150 A L H X>S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.6 0.945 113.8 48.4 -59.9 -48.9 13.3 28.8 7.3 150 151 A F H X5S+ 0 0 3 -4,-3.1 4,-2.3 1,-0.2 5,-0.3 0.944 112.3 48.4 -57.9 -48.0 13.1 31.4 10.1 151 152 A E H <5S+ 0 0 112 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.843 120.5 36.9 -63.1 -35.0 15.3 34.0 8.3 152 153 A N H <5S+ 0 0 52 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.786 134.8 16.0 -88.4 -34.5 13.3 33.6 5.1 153 154 A F H >X5S+ 0 0 0 -4,-3.1 4,-3.2 -5,-0.2 3,-1.8 0.555 95.4 92.8-116.2 -14.3 9.8 33.2 6.2 154 155 A G T 3<> - 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