==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-JAN-06 2CBU . COMPND 2 MOLECULE: BETA-GLUCOSIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR T.M.GLOSTER,G.J.DAVIES,R.MADSEN . 881 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32744.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 680 77.2 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 . 33 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 69 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 285 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.7 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 2 1 1 3 1 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 . 5 1 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 . 1 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 3 A V 0 0 137 0, 0.0 2,-0.6 0, 0.0 440,-0.2 0.000 360.0 360.0 360.0 153.4 -25.8 24.4 20.0 2 4 A K E -A 440 0A 82 438,-1.9 438,-1.8 439,-0.1 2,-0.4 -0.867 360.0-174.3-117.1 94.4 -22.1 23.9 20.7 3 5 A K E -A 439 0A 128 -2,-0.6 436,-0.2 436,-0.2 435,-0.1 -0.748 13.8-139.9 -93.9 136.3 -20.4 27.2 20.0 4 6 A F - 0 0 9 434,-2.9 3,-0.1 -2,-0.4 375,-0.0 -0.380 36.6 -75.5 -86.5 165.2 -16.6 27.5 20.2 5 7 A P > - 0 0 57 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 -0.213 60.6 -85.9 -56.3 151.8 -14.6 30.5 21.7 6 8 A E T 3 S+ 0 0 104 1,-0.2 432,-0.0 -3,-0.1 -3,-0.0 -0.386 117.0 16.0 -56.3 132.8 -14.3 33.7 19.7 7 9 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.2 -3,-0.1 431,-0.0 0.477 83.2 162.9 79.2 4.3 -11.4 33.4 17.2 8 10 A F < - 0 0 5 -3,-1.9 2,-0.9 1,-0.1 -1,-0.2 -0.305 41.3-121.2 -53.1 134.7 -11.1 29.6 17.5 9 11 A L E -b 390 0B 30 380,-2.6 382,-2.1 62,-0.0 2,-0.5 -0.733 25.6-167.8 -96.7 101.4 -9.0 28.4 14.6 10 12 A W E +b 391 0B 0 -2,-0.9 63,-1.3 380,-0.2 62,-1.3 -0.729 25.9 164.8 -84.0 127.7 -10.8 25.9 12.3 11 13 A G E -bc 392 73B 0 380,-2.7 382,-2.2 -2,-0.5 2,-0.3 -0.775 36.0-139.0-137.2 173.0 -8.3 24.4 10.0 12 14 A V E -bc 393 74B 0 61,-1.2 63,-2.8 380,-0.3 2,-0.3 -0.956 24.5-146.6-129.4 158.6 -7.4 21.6 7.5 13 15 A A E +bc 394 75B 0 380,-2.4 383,-1.2 -2,-0.3 382,-0.7 -0.933 21.6 160.9-130.4 148.0 -4.1 19.8 7.2 14 16 A T - 0 0 0 61,-2.3 2,-0.3 -2,-0.3 385,-0.0 -0.843 25.4-133.6-142.7 178.2 -1.8 18.3 4.5 15 17 A A > - 0 0 0 -2,-0.3 4,-1.3 61,-0.2 3,-0.4 -0.983 23.6-116.7-139.9 148.9 1.9 17.3 4.2 16 18 A S H >> S+ 0 0 1 -2,-0.3 4,-2.7 1,-0.2 3,-0.6 0.862 109.1 42.8 -51.1 -56.3 4.3 18.0 1.4 17 19 A Y H 34 S+ 0 0 12 102,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.806 111.9 56.1 -67.4 -28.4 5.2 14.4 0.2 18 20 A Q H 34 S+ 0 0 0 -3,-0.4 382,-2.2 1,-0.1 -1,-0.2 0.793 124.9 15.4 -76.5 -27.0 1.6 13.3 0.4 19 21 A I H << S+ 0 0 2 -4,-1.3 36,-2.2 -3,-0.6 34,-0.8 0.686 110.6 68.3-116.5 -28.0 0.1 16.0 -1.9 20 22 A E < - 0 0 7 -4,-2.7 36,-2.5 -5,-0.3 37,-0.3 0.874 60.7-175.5 -71.1 -41.4 2.7 17.8 -4.0 21 23 A G + 0 0 3 -4,-0.4 30,-0.3 -5,-0.3 29,-0.2 -0.209 55.1 87.0 58.5-168.0 4.2 15.3 -6.5 22 24 A S > + 0 0 34 28,-2.4 3,-1.6 1,-0.1 28,-0.1 0.894 53.0 173.1 49.8 49.8 7.1 16.6 -8.6 23 25 A P T 3 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 27,-0.1 0.754 75.8 37.7 -65.1 -24.2 9.6 15.5 -5.9 24 26 A L T > S+ 0 0 86 26,-0.1 3,-0.6 3,-0.1 -2,-0.1 0.284 89.3 127.2-110.0 13.0 12.6 16.3 -8.1 25 27 A A G X S+ 0 0 29 -3,-1.6 3,-1.8 1,-0.2 -4,-0.0 -0.292 71.0 6.6 -66.8 148.5 11.3 19.4 -9.8 26 28 A D G 3 S- 0 0 74 1,-0.3 -1,-0.2 2,-0.0 68,-0.2 0.822 134.2 -47.7 50.3 45.3 13.2 22.7 -9.7 27 29 A G G < S+ 0 0 43 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.485 89.4 156.5 83.3 2.3 16.5 21.5 -8.2 28 30 A A < - 0 0 12 -3,-1.8 54,-0.3 1,-0.1 -1,-0.2 -0.279 37.7-129.6 -57.2 142.4 14.9 19.6 -5.2 29 31 A G - 0 0 14 52,-2.5 57,-0.1 1,-0.1 -1,-0.1 -0.570 33.6 -89.0 -85.5 163.3 17.0 16.8 -3.7 30 32 A M - 0 0 76 -2,-0.2 94,-2.9 55,-0.1 95,-0.5 -0.361 40.0-147.1 -63.9 145.0 15.7 13.3 -3.2 31 33 A S B > -J 123 0C 7 92,-0.3 4,-1.9 93,-0.1 3,-0.2 -0.712 28.3-107.4-100.7 170.4 13.9 12.6 0.2 32 34 A I H > S+ 0 0 3 90,-2.6 4,-2.2 -2,-0.2 5,-0.2 0.720 121.3 57.8 -67.3 -22.2 13.9 9.3 2.0 33 35 A W H > S+ 0 0 2 89,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.836 103.4 51.9 -77.7 -30.5 10.3 8.9 1.0 34 36 A H H > S+ 0 0 21 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.973 116.9 38.6 -60.8 -53.8 11.2 9.1 -2.7 35 37 A T H < S+ 0 0 34 -4,-1.9 -2,-0.2 2,-0.2 -3,-0.2 0.888 117.3 50.8 -70.2 -38.0 13.9 6.4 -2.3 36 38 A F H >< S+ 0 0 11 -4,-2.2 3,-1.2 1,-0.2 6,-0.3 0.934 113.1 44.3 -61.5 -47.9 11.7 4.3 0.1 37 39 A S H 3< S+ 0 0 6 -4,-2.2 6,-0.2 1,-0.3 -1,-0.2 0.779 109.3 56.9 -71.9 -25.5 8.6 4.3 -2.2 38 40 A H T 3< S+ 0 0 87 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.418 88.1 92.3 -84.2 4.0 10.8 3.6 -5.3 39 41 A T S X S- 0 0 71 -3,-1.2 3,-1.5 -4,-0.1 4,-0.3 -0.881 88.5-116.5 -95.0 118.1 12.0 0.4 -3.5 40 42 A P T 3 S+ 0 0 122 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.275 94.8 26.3 -56.1 139.6 9.7 -2.5 -4.5 41 43 A G T 3 S+ 0 0 80 2,-0.3 -4,-0.1 -4,-0.1 3,-0.1 0.165 97.0 91.7 99.5 -17.4 7.8 -4.1 -1.7 42 44 A N S < S+ 0 0 48 -3,-1.5 2,-0.4 -6,-0.3 -5,-0.1 0.762 84.1 39.9 -82.6 -29.8 7.6 -1.0 0.6 43 45 A V S > S- 0 0 10 -4,-0.3 3,-2.2 -6,-0.2 -2,-0.3 -0.987 92.2 -97.8-129.5 134.2 4.3 0.6 -0.5 44 46 A K G > S+ 0 0 65 359,-2.7 3,-2.1 -2,-0.4 362,-0.2 -0.133 106.7 1.0 -47.0 135.1 1.0 -1.0 -1.4 45 47 A N G 3 S- 0 0 123 1,-0.3 -1,-0.3 360,-0.1 359,-0.1 0.597 119.8 -79.3 61.1 9.7 0.5 -1.3 -5.2 46 48 A G G < S+ 0 0 56 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.732 81.1 169.2 71.6 21.6 4.0 0.1 -5.8 47 49 A D < - 0 0 36 -3,-2.1 2,-0.3 -4,-0.1 -1,-0.2 -0.349 9.2-179.5 -69.3 150.2 2.5 3.6 -5.3 48 50 A T - 0 0 24 -10,-0.1 4,-0.5 -2,-0.0 3,-0.5 -0.860 41.5-109.6-138.3 173.4 4.9 6.6 -4.9 49 51 A G S S+ 0 0 1 -2,-0.3 -28,-0.2 -16,-0.2 -15,-0.1 0.156 80.1 114.9 -89.9 19.8 4.7 10.4 -4.3 50 52 A D S S- 0 0 59 -29,-0.2 -28,-2.4 -28,-0.1 -1,-0.2 0.866 99.5 -1.7 -57.4 -40.8 5.8 11.1 -7.9 51 53 A V S > S+ 0 0 87 -3,-0.5 3,-2.7 -30,-0.3 4,-0.2 0.708 83.8 155.4-115.8 -48.4 2.5 12.7 -8.9 52 54 A A T 3 S- 0 0 4 -4,-0.5 -33,-0.2 1,-0.3 -32,-0.1 -0.288 84.7 -24.0 54.9-128.4 0.2 12.5 -5.7 53 55 A C T 3 S- 0 0 0 -34,-0.8 -1,-0.3 -35,-0.1 -33,-0.1 0.235 83.8-122.6 -93.3 10.6 -2.4 15.3 -6.0 54 56 A D X> + 0 0 23 -3,-2.7 4,-2.4 1,-0.1 3,-1.6 0.823 58.9 153.1 51.0 33.5 -0.1 17.4 -8.3 55 57 A H H 3> + 0 0 3 -36,-2.2 4,-1.2 1,-0.3 -35,-0.2 0.780 59.7 74.6 -64.0 -21.8 -0.3 20.2 -5.7 56 58 A Y H 34 S+ 0 0 17 -36,-2.5 -1,-0.3 -37,-0.3 -35,-0.1 0.849 115.1 22.3 -58.4 -31.9 3.1 21.4 -6.9 57 59 A N H <4 S+ 0 0 103 -3,-1.6 3,-0.3 -37,-0.3 -2,-0.2 0.719 128.4 47.4 -99.8 -29.4 1.1 22.7 -9.9 58 60 A R H X S+ 0 0 82 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.192 71.4 116.2-104.1 14.5 -2.4 23.0 -8.5 59 61 A W H X S+ 0 0 36 -4,-1.2 4,-2.6 1,-0.2 5,-0.2 0.841 74.5 53.2 -53.9 -42.4 -1.6 24.8 -5.2 60 62 A K H > S+ 0 0 114 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.957 110.5 47.6 -63.1 -48.6 -3.6 28.0 -6.2 61 63 A E H > S+ 0 0 74 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.917 112.1 50.0 -52.6 -49.5 -6.7 26.0 -6.9 62 64 A D H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.911 111.2 47.6 -61.6 -42.9 -6.4 24.0 -3.7 63 65 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.925 107.3 57.5 -64.7 -42.9 -6.0 27.2 -1.6 64 66 A E H X S+ 0 0 73 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.870 105.4 52.3 -52.0 -37.4 -9.1 28.6 -3.5 65 67 A I H X S+ 0 0 22 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.929 107.9 49.2 -62.6 -46.4 -10.9 25.6 -2.2 66 68 A I H <>S+ 0 0 1 -4,-1.9 5,-1.8 1,-0.2 4,-0.5 0.936 114.4 46.8 -56.2 -48.1 -9.8 26.3 1.4 67 69 A E H ><5S+ 0 0 83 -4,-2.9 3,-1.4 1,-0.2 -2,-0.2 0.921 110.6 50.9 -58.1 -49.7 -11.0 29.9 0.9 68 70 A K H 3<5S+ 0 0 183 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.866 109.2 51.8 -61.4 -37.4 -14.4 28.9 -0.7 69 71 A L T 3<5S- 0 0 7 -4,-2.3 -1,-0.3 -5,-0.2 367,-0.2 0.606 110.8-126.2 -73.3 -12.5 -15.0 26.6 2.3 70 72 A G T < 5 + 0 0 40 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.655 48.5 166.1 76.4 14.2 -14.3 29.5 4.6 71 73 A V < - 0 0 4 -5,-1.8 -1,-0.2 -6,-0.2 -60,-0.2 -0.414 26.7-153.1 -67.1 138.1 -11.7 27.5 6.5 72 74 A K + 0 0 86 -62,-1.3 40,-2.9 39,-0.1 2,-0.3 0.664 66.9 31.5 -95.1 -17.7 -9.6 29.8 8.7 73 75 A A E -cd 11 112B 0 -63,-1.3 -61,-1.2 38,-0.3 2,-0.4 -0.979 58.2-156.7-142.4 145.4 -6.2 28.0 9.0 74 76 A Y E -cd 12 113B 2 38,-2.3 40,-2.7 -2,-0.3 2,-0.6 -0.979 5.6-159.7-128.3 117.7 -4.1 25.7 6.8 75 77 A R E +cd 13 114B 0 -63,-2.8 -61,-2.3 -2,-0.4 2,-0.3 -0.867 28.3 156.4 -92.6 119.9 -1.6 23.4 8.3 76 78 A F E - d 0 115B 5 38,-2.0 40,-3.0 -2,-0.6 2,-0.3 -0.899 31.5-127.6-137.0 163.1 0.9 22.3 5.6 77 79 A S E - d 0 116B 2 -2,-0.3 2,-0.5 38,-0.2 40,-0.2 -0.850 12.3-129.3-115.1 157.8 4.5 21.1 5.7 78 80 A I - 0 0 0 38,-1.8 2,-0.8 -2,-0.3 41,-0.4 -0.884 22.6-124.3-101.4 129.8 7.7 22.2 3.9 79 81 A S >> - 0 0 10 -2,-0.5 3,-1.2 1,-0.2 4,-1.1 -0.656 17.2-153.7 -69.5 108.3 9.8 19.6 2.0 80 82 A W H >> S+ 0 0 0 -2,-0.8 4,-3.0 1,-0.3 3,-1.1 0.909 92.5 52.5 -49.9 -51.5 13.3 19.9 3.5 81 83 A P H 34 S+ 0 0 1 0, 0.0 -52,-2.5 0, 0.0 -1,-0.3 0.688 102.1 59.4 -70.7 -10.5 15.1 18.7 0.4 82 84 A R H <4 S+ 0 0 7 -3,-1.2 13,-0.4 -54,-0.3 14,-0.2 0.813 115.5 36.3 -73.5 -28.2 13.3 21.3 -1.8 83 85 A I H << S+ 0 0 0 -3,-1.1 9,-3.2 -4,-1.1 13,-0.2 0.902 136.6 17.6 -91.1 -48.0 14.9 24.0 0.4 84 86 A L S >< S- 0 0 0 -4,-3.0 3,-2.5 7,-0.2 -1,-0.3 -0.884 71.2-166.4-126.5 94.0 18.3 22.4 1.1 85 87 A P T 3 S+ 0 0 4 0, 0.0 40,-0.4 0, 0.0 39,-0.1 0.756 92.3 38.5 -56.2 -29.5 18.8 19.7 -1.6 86 88 A E T 3 S- 0 0 99 4,-0.4 2,-0.8 2,-0.3 5,-0.1 0.178 116.7-113.3-101.3 9.5 21.8 18.2 0.3 87 89 A G S < S+ 0 0 0 -3,-2.5 2,-0.3 3,-0.2 57,-0.1 -0.160 93.8 34.2 89.5 -44.5 20.1 18.8 3.7 88 90 A T S S+ 0 0 33 -2,-0.8 2,-0.8 55,-0.1 -2,-0.3 -0.909 107.8 22.4-131.0 167.6 22.7 21.4 4.8 89 91 A G S S+ 0 0 51 -2,-0.3 -2,-0.0 -4,-0.1 0, 0.0 -0.707 97.4 64.5 86.3-112.3 24.7 24.0 2.9 90 92 A R - 0 0 132 -2,-0.8 2,-0.5 1,-0.1 -4,-0.4 -0.227 65.1-151.4 -63.6 131.5 23.1 25.1 -0.3 91 93 A V - 0 0 60 -7,-0.2 2,-0.8 -6,-0.1 -7,-0.2 -0.902 9.6-140.3-101.8 130.9 19.7 26.8 -0.3 92 94 A N >> - 0 0 17 -9,-3.2 4,-1.8 -2,-0.5 3,-1.0 -0.796 8.3-163.8 -94.2 104.2 17.4 26.3 -3.3 93 95 A Q H 3> S+ 0 0 100 -2,-0.8 4,-3.0 1,-0.3 -1,-0.2 0.828 89.8 58.5 -59.0 -34.3 15.6 29.6 -4.2 94 96 A K H 3> S+ 0 0 118 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.819 105.3 51.6 -66.1 -28.2 13.0 27.8 -6.3 95 97 A G H <> S+ 0 0 2 -3,-1.0 4,-1.5 -13,-0.4 -2,-0.2 0.928 111.6 45.2 -70.8 -48.5 12.1 25.8 -3.3 96 98 A L H X S+ 0 0 2 -4,-1.8 4,-3.2 -14,-0.2 -2,-0.2 0.917 109.9 56.7 -57.7 -44.4 11.6 28.9 -1.2 97 99 A D H X S+ 0 0 60 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.880 102.8 55.4 -54.1 -46.9 9.7 30.5 -4.1 98 100 A F H X S+ 0 0 0 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.935 115.3 36.7 -53.5 -54.2 7.2 27.6 -4.1 99 101 A Y H X S+ 0 0 1 -4,-1.5 4,-3.0 2,-0.2 5,-0.2 0.849 110.7 61.7 -70.7 -33.7 6.3 28.1 -0.4 100 102 A N H X S+ 0 0 28 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.929 104.8 49.1 -55.8 -44.0 6.5 31.9 -0.6 101 103 A R H X S+ 0 0 105 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.869 112.1 47.9 -61.9 -41.0 3.7 31.9 -3.1 102 104 A I H X S+ 0 0 2 -4,-1.2 4,-2.5 -5,-0.2 -2,-0.2 0.944 113.8 47.2 -64.3 -47.9 1.5 29.6 -0.9 103 105 A I H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.945 113.6 46.7 -59.8 -48.4 2.2 31.8 2.2 104 106 A D H X S+ 0 0 77 -4,-2.7 4,-2.9 -5,-0.2 -1,-0.2 0.894 112.9 50.8 -64.9 -40.2 1.5 35.1 0.4 105 107 A T H X S+ 0 0 19 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.911 110.0 48.3 -62.2 -48.1 -1.7 33.6 -1.1 106 108 A L H <>S+ 0 0 0 -4,-2.5 5,-3.2 2,-0.2 -2,-0.2 0.930 113.9 47.2 -57.0 -48.9 -3.0 32.3 2.2 107 109 A L H ><5S+ 0 0 65 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.939 109.5 52.9 -60.2 -48.2 -2.3 35.7 3.9 108 110 A E H 3<5S+ 0 0 148 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.844 112.9 46.4 -52.7 -36.2 -4.0 37.6 1.0 109 111 A K T 3<5S- 0 0 46 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.323 117.8-111.7 -94.1 6.5 -7.0 35.4 1.5 110 112 A G T < 5S+ 0 0 61 -3,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.775 70.3 139.6 70.3 28.4 -7.1 35.8 5.3 111 113 A I < - 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