==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-SEP-03 1QW8 . COMPND 2 MOLECULE: ALPHA-L-ARABINOFURANOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR K.HOEVEL,D.SHALLOM,K.NIEFIND,V.BELAKHOV,G.SHOHAM,T.BASSOV, . 994 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36295.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 692 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 103 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 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 . 8 0.8 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 . 93 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.6 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 3 1 0 0 2 0 6 2 2 0 0 0 2 0 2 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 4 3 9 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 0 PARALLEL BRIDGES PER LADDER . 8 4 10 0 0 2 2 4 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 5 0 2 0 1 1 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 5 A K 0 0 154 0, 0.0 2,-0.3 0, 0.0 431,-0.2 0.000 360.0 360.0 360.0 136.1 67.9 -1.5 57.5 2 6 A A E -a 432 0A 1 429,-2.2 431,-2.0 388,-0.2 2,-0.3 -0.959 360.0-156.4-124.3 151.1 67.0 2.1 56.7 3 7 A T E -aB 433 389A 54 386,-2.8 386,-1.7 -2,-0.3 2,-0.3 -0.845 8.0-174.0-121.6 168.0 63.5 3.7 56.7 4 8 A M E -aB 434 388A 5 429,-1.5 431,-2.4 -2,-0.3 2,-0.6 -0.936 18.6-141.1-161.4 127.8 62.1 6.7 55.0 5 9 A I E -aB 435 387A 19 382,-1.8 2,-0.7 -2,-0.3 382,-0.7 -0.869 12.7-165.5 -94.7 126.7 58.7 8.6 55.2 6 10 A I + 0 0 2 429,-2.1 2,-0.6 -2,-0.6 432,-0.5 -0.850 17.5 171.5-112.2 89.7 57.6 9.8 51.8 7 11 A E > - 0 0 26 -2,-0.7 3,-2.0 378,-0.4 378,-0.3 -0.917 31.1-150.2-106.6 117.0 54.8 12.3 52.6 8 12 A K T 3 S+ 0 0 55 -2,-0.6 -1,-0.1 1,-0.3 402,-0.1 0.791 99.2 53.8 -44.9 -38.0 53.4 14.4 49.8 9 13 A D T 3 S+ 0 0 87 1,-0.2 2,-0.8 -3,-0.1 -1,-0.3 0.432 90.3 77.3 -86.5 -3.0 52.6 17.2 52.3 10 14 A F S < S+ 0 0 7 -3,-2.0 375,-2.7 375,-0.1 2,-0.3 -0.812 71.8 165.9-105.5 84.3 56.2 17.4 53.7 11 15 A K E -E 384 0B 100 -2,-0.8 373,-0.3 373,-0.3 3,-0.1 -0.811 38.1-168.5-109.4 141.4 57.8 19.4 50.8 12 16 A I E - 0 0 36 371,-3.0 2,-0.3 -2,-0.3 -1,-0.2 0.918 65.4 -66.5 -82.0 -60.5 61.0 21.2 50.5 13 17 A A E -E 383 0B 20 370,-1.1 370,-2.6 321,-0.1 -1,-0.3 -0.956 51.2 -71.2-179.7 160.3 60.2 23.0 47.2 14 18 A E E -E 382 0B 122 -2,-0.3 2,-0.5 368,-0.3 368,-0.3 -0.512 58.8-118.1 -60.3 132.3 59.6 22.7 43.5 15 19 A I - 0 0 7 366,-3.1 2,-0.6 -2,-0.2 366,-0.4 -0.716 17.4-133.3 -77.7 127.8 62.9 21.8 41.9 16 20 A D > - 0 0 45 -2,-0.5 3,-2.4 324,-0.4 4,-0.1 -0.754 13.5-138.8 -78.7 120.8 64.1 24.4 39.5 17 21 A K G > S+ 0 0 113 -2,-0.6 3,-2.1 1,-0.3 46,-0.2 0.728 95.1 78.7 -58.6 -21.4 65.2 22.4 36.4 18 22 A R G > S+ 0 0 23 323,-0.3 325,-2.5 1,-0.3 3,-1.3 0.543 71.0 80.5 -67.3 -6.0 68.3 24.7 36.1 19 23 A I G < S+ 0 0 1 -3,-2.4 -1,-0.3 323,-0.3 -2,-0.2 0.621 87.8 60.3 -70.5 -9.1 69.9 22.7 38.9 20 24 A Y G < S+ 0 0 1 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 -0.037 85.0 122.9-104.4 30.3 70.6 20.2 36.1 21 25 A G E < -l 344 0C 0 322,-1.3 324,-2.3 -3,-1.3 2,-0.2 -0.167 41.6-161.7 -79.0 177.0 72.7 22.8 34.2 22 26 A S E -lm 345 64C 0 41,-2.4 43,-2.4 322,-0.3 2,-0.3 -0.693 9.2-123.7-143.7-155.9 76.2 22.5 33.0 23 27 A F E -lm 346 65C 0 322,-0.7 325,-2.2 41,-0.3 324,-0.6 -0.988 9.0-165.6-165.4 129.1 79.1 24.7 31.8 24 28 A I - 0 0 0 41,-2.9 2,-0.3 -2,-0.3 322,-0.0 -0.983 13.9-175.9-128.1 122.7 81.4 25.1 28.8 25 29 A E - 0 0 4 -2,-0.4 2,-2.0 41,-0.2 43,-0.2 -0.748 42.7-105.8-105.4 156.7 84.6 27.2 29.0 26 30 A H S S+ 0 0 6 41,-1.9 2,-0.4 -2,-0.3 3,-0.1 -0.645 79.9 130.3 -77.7 85.1 87.0 28.0 26.3 27 31 A L S > S- 0 0 4 -2,-2.0 3,-2.3 286,-0.1 4,-0.3 -0.988 70.5 -47.2-147.6 125.4 89.4 25.6 28.0 28 32 A G T 3 S- 0 0 7 -2,-0.4 4,-0.5 1,-0.3 3,-0.3 -0.142 118.2 -19.4 52.9-124.2 91.3 22.7 26.4 29 33 A R T 3 S+ 0 0 37 284,-0.4 -1,-0.3 1,-0.2 6,-0.1 0.156 103.9 106.3-104.6 20.5 89.1 20.6 24.1 30 34 A A S < >S+ 0 0 0 -3,-2.3 5,-1.6 4,-0.2 -1,-0.2 0.908 102.0 11.0 -62.8 -42.9 85.7 21.7 25.5 31 35 A V T > >S+ 0 0 1 -4,-0.3 5,-2.4 -3,-0.3 3,-1.5 0.862 126.7 55.7 -98.5 -63.9 85.0 23.8 22.5 32 36 A Y B 3 5S+t 36 0D 29 -4,-0.5 -1,-0.2 1,-0.3 5,-0.2 -0.641 131.6 3.1 -84.4 106.3 87.7 22.9 19.9 33 37 A G T 3 5S+ 0 0 14 3,-3.0 -1,-0.3 -2,-0.9 4,-0.2 0.406 131.7 65.5 95.6 1.0 87.5 19.2 19.4 34 38 A G T < 5S- 0 0 0 -3,-1.5 -3,-0.2 2,-0.4 15,-0.2 0.564 121.2 -2.6-113.1 -93.1 84.5 19.0 21.8 35 39 A I T - 0 0 10 10,-3.2 3,-2.1 -2,-0.4 6,-0.1 -0.607 22.1-169.0-157.8 85.4 85.3 20.0 15.1 38 42 A P T 3 S+ 0 0 74 0, 0.0 9,-0.1 0, 0.0 5,-0.1 0.808 85.4 56.7 -50.8 -36.2 84.9 21.0 11.4 39 43 A G T 3 S+ 0 0 61 8,-0.1 8,-0.0 3,-0.1 320,-0.0 0.595 81.8 112.5 -70.9 -9.5 87.0 18.0 10.1 40 44 A H X - 0 0 7 -3,-2.1 3,-2.1 7,-0.2 -3,-0.1 -0.356 68.8-135.5 -78.1 139.7 84.8 15.4 11.8 41 45 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 320,-0.0 0.773 109.1 47.8 -60.4 -24.9 82.8 13.0 9.6 42 46 A Q T 3 S+ 0 0 99 5,-0.1 8,-2.3 2,-0.0 2,-0.2 0.242 85.5 121.2 -99.8 11.9 79.8 13.5 12.0 43 47 A A B < -V 49 0E 24 -3,-2.1 6,-0.2 6,-0.2 5,-0.1 -0.495 58.0-131.9 -74.3 142.4 80.1 17.4 12.0 44 48 A D > - 0 0 39 4,-2.7 3,-1.7 -2,-0.2 -1,-0.1 -0.057 40.6 -77.3 -81.3-172.8 77.1 19.3 10.8 45 49 A E T 3 S+ 0 0 184 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.720 134.1 47.6 -59.2 -24.4 77.1 22.2 8.3 46 50 A N T 3 S- 0 0 82 2,-0.1 -1,-0.3 64,-0.0 65,-0.1 0.274 122.8-101.4-102.8 9.3 78.4 24.5 11.0 47 51 A G S < S+ 0 0 8 -3,-1.7 -10,-3.2 1,-0.3 2,-0.3 0.445 74.4 142.5 89.6 1.0 81.2 22.2 12.2 48 52 A F B -U 36 0D 2 -12,-0.2 -4,-2.7 1,-0.1 2,-0.5 -0.588 56.9-115.8 -80.4 133.8 79.3 21.0 15.3 49 53 A R B > -V 43 0E 0 -14,-2.1 4,-2.0 -2,-0.3 -6,-0.2 -0.568 20.4-159.7 -70.3 117.9 79.7 17.4 16.3 50 54 A Q H > S+ 0 0 72 -8,-2.3 4,-2.3 -2,-0.5 -1,-0.2 0.830 89.5 57.6 -68.1 -34.2 76.4 15.7 15.9 51 55 A D H > S+ 0 0 24 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.916 108.8 46.2 -63.4 -39.6 77.3 12.8 18.3 52 56 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.915 108.8 56.3 -67.2 -41.5 78.1 15.3 21.0 53 57 A I H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.917 108.9 46.3 -55.6 -46.7 74.8 17.1 20.3 54 58 A E H X S+ 0 0 89 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.897 110.0 53.3 -64.5 -39.3 72.9 13.8 20.8 55 59 A L H X S+ 0 0 21 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.873 112.1 44.9 -64.4 -37.3 74.8 13.0 24.1 56 60 A V H X>S+ 0 0 0 -4,-2.3 5,-0.9 2,-0.2 4,-0.7 0.889 109.2 56.0 -72.1 -38.7 73.9 16.4 25.6 57 61 A K H ><5S+ 0 0 90 -4,-2.2 3,-1.0 -5,-0.3 -2,-0.2 0.883 102.2 56.2 -62.3 -35.5 70.3 16.2 24.5 58 62 A E H 3<5S+ 0 0 83 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.818 103.0 55.2 -69.4 -29.1 69.9 13.0 26.3 59 63 A L H 3<5S- 0 0 0 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.659 99.6-141.9 -68.7 -19.9 71.1 14.7 29.5 60 64 A Q T <<5 - 0 0 96 -3,-1.0 -3,-0.2 -4,-0.7 -2,-0.1 0.869 25.8-174.1 54.0 44.6 68.3 17.3 29.0 61 65 A V < - 0 0 4 -5,-0.9 -1,-0.2 1,-0.2 -40,-0.2 -0.560 10.2-168.1 -69.7 115.9 70.6 20.1 30.3 62 66 A P + 0 0 14 0, 0.0 56,-2.6 0, 0.0 2,-0.3 0.755 66.5 25.1 -79.6 -25.8 68.4 23.2 30.5 63 67 A I E - n 0 118C 0 54,-0.2 -41,-2.4 -46,-0.2 2,-0.4 -1.000 60.1-164.5-145.0 137.0 71.1 25.8 30.9 64 68 A I E -mn 22 119C 0 54,-2.2 56,-2.0 -2,-0.3 -41,-0.3 -0.982 17.1-138.2-130.2 122.0 74.8 26.1 30.1 65 69 A R E -mn 23 120C 2 -43,-2.4 -41,-2.9 -2,-0.4 56,-0.2 -0.474 35.1-143.1 -75.7 143.7 77.2 28.6 31.6 66 70 A Y E - n 0 121C 1 54,-1.8 56,-2.2 2,-0.2 -41,-0.2 -0.945 48.5 -3.7-169.4 147.7 79.6 30.1 29.0 67 71 A P S S+ 0 0 3 0, 0.0 -41,-1.9 0, 0.0 2,-0.3 -0.924 98.2 81.1 -96.5 10.6 82.4 31.2 28.2 68 72 A G + 0 0 0 -43,-0.2 -2,-0.2 3,-0.1 2,-0.2 -0.940 1.0 107.0 179.9 172.7 84.1 31.0 31.6 69 73 A G S >> S- 0 0 0 -2,-0.3 3,-1.7 -4,-0.1 4,-0.5 0.595 108.8 -14.4 87.1 162.2 85.4 30.4 34.1 70 74 A N G >4 S+ 0 0 32 1,-0.3 3,-1.0 2,-0.2 108,-0.3 0.781 128.4 67.6 -52.6 -34.7 88.9 31.8 34.4 71 75 A F G >4 S+ 0 0 6 1,-0.2 3,-1.4 2,-0.2 -1,-0.3 0.823 91.9 60.2 -52.2 -39.6 89.0 32.4 30.6 72 76 A V G X4 S+ 0 0 2 -3,-1.7 3,-1.2 1,-0.3 54,-0.2 0.772 88.7 70.0 -68.5 -24.4 86.3 35.2 30.7 73 77 A S G << S+ 0 0 0 -3,-1.0 54,-1.8 -4,-0.5 -1,-0.3 0.619 111.2 32.0 -73.8 -13.2 88.3 37.4 33.1 74 78 A G G < S+ 0 0 34 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.3 0.236 100.2 112.5-115.6 6.4 90.8 38.2 30.2 75 79 A Y < - 0 0 21 -3,-1.2 2,-0.6 -4,-0.3 49,-0.2 -0.649 52.5-153.5 -97.6 136.5 88.4 37.9 27.3 76 80 A N > - 0 0 44 -2,-0.3 3,-1.9 1,-0.1 4,-0.3 -0.935 9.3-154.8-102.7 112.4 87.1 40.6 24.9 77 81 A W G > S+ 0 0 10 -2,-0.6 3,-1.7 1,-0.3 28,-0.3 0.816 91.3 63.2 -58.5 -30.5 83.7 39.5 23.6 78 82 A E G > S+ 0 0 59 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.752 90.9 67.5 -65.1 -26.3 84.2 41.6 20.4 79 83 A D G < S+ 0 0 19 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.639 101.2 49.0 -66.9 -17.2 87.1 39.4 19.4 80 84 A G G < S+ 0 0 0 -3,-1.7 26,-0.3 -4,-0.3 27,-0.3 0.249 100.8 74.1-108.6 7.0 84.7 36.5 18.9 81 85 A V S < S+ 0 0 15 -3,-1.1 71,-0.0 -4,-0.2 5,-0.0 -0.836 76.4 26.1-120.7 160.5 82.0 38.2 16.7 82 86 A G S S- 0 0 10 -2,-0.3 5,-0.1 73,-0.1 73,-0.1 -0.197 104.3 -4.9 82.7-175.3 81.8 39.2 13.1 83 87 A P > - 0 0 80 0, 0.0 3,-1.3 0, 0.0 4,-0.4 -0.164 65.3-128.2 -55.6 136.6 83.7 37.9 10.1 84 88 A K G > S+ 0 0 95 1,-0.2 3,-1.5 2,-0.2 -3,-0.0 0.807 103.2 64.0 -57.2 -32.4 86.3 35.3 10.9 85 89 A E G 3 S+ 0 0 173 1,-0.3 -1,-0.2 3,-0.0 -3,-0.0 0.769 103.9 48.2 -67.8 -25.9 89.1 37.1 9.0 86 90 A Q G < S+ 0 0 125 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.430 85.8 105.7 -93.1 0.1 88.9 40.0 11.4 87 91 A R < - 0 0 26 -3,-1.5 2,-0.1 -4,-0.4 -7,-0.1 -0.700 68.0-133.7 -80.9 127.7 88.9 38.0 14.6 88 92 A P - 0 0 35 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.439 8.8-119.7 -82.3 150.8 92.3 38.2 16.4 89 93 A R - 0 0 164 -2,-0.1 2,-0.3 12,-0.1 11,-0.2 -0.791 40.3-167.0 -80.8 132.6 94.4 35.4 17.8 90 94 A R E -W 99 0F 113 9,-2.4 9,-2.8 -2,-0.4 2,-0.9 -0.882 27.5-119.3-125.5 148.6 94.8 36.0 21.6 91 95 A L E -W 98 0F 103 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.837 27.1-149.8 -83.5 110.7 97.0 34.7 24.4 92 96 A D E >> -W 97 0F 12 5,-2.8 5,-1.3 -2,-0.9 4,-0.6 -0.744 10.1-168.2 -79.4 107.5 94.5 33.3 26.9 93 97 A L T 45S+ 0 0 106 -2,-0.9 -1,-0.2 1,-0.2 -22,-0.1 0.711 76.9 68.5 -73.9 -18.2 96.4 33.9 30.1 94 98 A A T 45S+ 0 0 24 1,-0.2 -1,-0.2 -23,-0.1 -23,-0.1 0.939 121.5 12.3 -65.8 -44.3 94.0 31.7 32.1 95 99 A W T 45S- 0 0 47 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.128 101.2-118.7-121.5 16.2 95.1 28.4 30.5 96 100 A K T <5S+ 0 0 113 -4,-0.6 211,-2.8 1,-0.2 212,-0.5 0.875 70.7 128.0 47.6 51.8 98.2 29.6 28.7 97 101 A S E < -W 92 0F 10 -5,-1.3 -5,-2.8 209,-0.2 2,-0.6 -0.859 66.7-109.4-129.7 159.6 96.8 28.8 25.3 98 102 A V E -W 91 0F 23 210,-2.1 2,-0.6 -2,-0.3 212,-0.4 -0.869 32.4-155.2 -90.4 121.7 96.4 30.6 22.0 99 103 A E E -W 90 0F 14 -9,-2.8 -9,-2.4 -2,-0.6 210,-0.1 -0.897 10.6-169.6-100.3 118.2 92.7 31.3 21.5 100 104 A T - 0 0 24 -2,-0.6 -1,-0.1 -11,-0.2 -9,-0.0 0.658 26.6-138.0 -79.6 -18.5 91.8 31.7 17.8 101 105 A N + 0 0 1 2,-0.1 -12,-0.1 -11,-0.1 -2,-0.0 0.661 57.7 140.5 61.6 22.1 88.2 32.9 18.5 102 106 A E S S+ 0 0 76 1,-0.1 2,-0.5 -15,-0.0 -1,-0.1 0.847 73.7 46.5 -58.8 -36.0 87.0 30.8 15.6 103 107 A I S S+ 0 0 0 4,-0.1 2,-0.2 -67,-0.0 -1,-0.1 -0.969 77.7 158.5-103.8 127.6 84.1 30.1 18.0 104 108 A G > - 0 0 0 -2,-0.5 4,-2.5 -24,-0.2 3,-0.4 -0.659 57.2 -67.5-131.2-166.8 82.6 33.2 19.7 105 109 A L H > S+ 0 0 5 -28,-0.3 4,-2.0 1,-0.2 5,-0.1 0.822 125.3 52.0 -62.5 -36.7 79.3 33.9 21.3 106 110 A N H > S+ 0 0 2 -26,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.914 111.9 47.1 -66.0 -38.7 77.0 33.8 18.3 107 111 A E H > S+ 0 0 27 -3,-0.4 4,-2.1 -27,-0.3 -2,-0.2 0.902 110.5 53.4 -70.1 -37.2 78.3 30.4 17.2 108 112 A F H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.896 106.2 51.8 -61.4 -38.3 77.9 29.2 20.8 109 113 A M H X S+ 0 0 26 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.891 108.1 53.5 -65.0 -37.5 74.3 30.4 20.8 110 114 A D H X S+ 0 0 49 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.906 111.2 45.3 -60.4 -45.8 73.8 28.4 17.6 111 115 A W H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 3,-0.3 0.930 110.4 52.8 -64.8 -46.3 75.2 25.3 19.3 112 116 A A H X>S+ 0 0 1 -4,-2.8 5,-2.2 1,-0.3 4,-0.6 0.869 105.5 55.8 -59.2 -40.4 73.1 25.8 22.5 113 117 A K H ><5S+ 0 0 164 -4,-2.1 3,-0.9 1,-0.2 -1,-0.3 0.910 104.0 54.9 -54.7 -43.4 70.0 26.0 20.3 114 118 A M H 3<5S+ 0 0 83 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.822 112.5 40.9 -62.3 -33.3 70.8 22.6 18.8 115 119 A V H 3<5S- 0 0 9 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.378 113.9-116.2 -99.2 2.4 71.0 20.9 22.3 116 120 A G T <<5 + 0 0 61 -3,-0.9 2,-0.3 -4,-0.6 -3,-0.2 0.722 68.3 134.5 73.5 24.7 68.0 22.8 23.5 117 121 A A < - 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