==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-DEC-08 2ZXB . COMPND 2 MOLECULE: ALPHA-L-FUCOSIDASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR H.-J.WU,T.-P.KO,C.-W.HO,C.-H.LIN,A.H.-J.WANG . 884 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34166.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 612 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 9.6 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 . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 71 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 6 1 4 0 0 2 1 3 4 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 5 0 6 2 2 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 . 8 2 3 5 2 2 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 . 0 1 3 0 1 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 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 7 A R 0 0 240 0, 0.0 2,-0.3 0, 0.0 233,-0.0 0.000 360.0 360.0 360.0 130.4 25.5 9.6 33.7 2 8 A Y - 0 0 45 232,-0.3 7,-0.1 231,-0.1 236,-0.1 -0.678 360.0-141.1 -85.5 144.3 21.9 10.4 34.5 3 9 A K - 0 0 132 -2,-0.3 2,-2.4 2,-0.2 6,-0.1 -0.749 24.7-100.9-108.4 155.1 19.8 7.3 35.4 4 10 A P S S+ 0 0 59 0, 0.0 2,-0.3 0, 0.0 227,-0.2 -0.408 89.7 88.2 -72.0 62.9 16.2 6.7 34.5 5 11 A D S >> S- 0 0 49 -2,-2.4 4,-2.1 225,-0.3 3,-0.7 -0.948 81.1-117.0-159.0 146.6 14.7 7.6 37.8 6 12 A W H 3> S+ 0 0 28 -2,-0.3 4,-0.7 1,-0.3 -1,-0.1 0.766 111.1 55.6 -52.3 -35.5 13.4 10.8 39.4 7 13 A E H 34 S+ 0 0 42 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.865 111.2 43.6 -70.6 -38.9 16.0 10.9 42.2 8 14 A S H X4 S+ 0 0 6 -3,-0.7 3,-1.2 1,-0.2 -2,-0.2 0.858 110.1 54.5 -75.7 -33.2 18.9 10.7 39.8 9 15 A L H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.3 -1,-0.2 0.669 89.1 79.6 -74.6 -12.7 17.4 13.3 37.4 10 16 A R T 3< S+ 0 0 13 -4,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.849 80.9 69.4 -60.2 -31.9 17.1 15.6 40.3 11 17 A E T < S+ 0 0 36 -3,-1.2 2,-0.8 -4,-0.4 -1,-0.3 0.701 79.2 87.1 -59.0 -25.8 20.8 16.2 39.7 12 18 A H < - 0 0 4 -3,-1.8 2,-0.2 -4,-0.2 242,-0.2 -0.701 62.0-178.3 -83.4 112.2 20.1 18.0 36.5 13 19 A T - 0 0 71 -2,-0.8 242,-0.1 701,-0.4 3,-0.1 -0.596 44.3 -70.1-102.9 167.9 19.6 21.7 37.4 14 20 A V - 0 0 35 241,-0.4 -1,-0.1 -2,-0.2 230,-0.1 -0.380 62.8-105.9 -61.0 127.3 18.7 24.4 34.9 15 21 A P > - 0 0 5 0, 0.0 4,-2.0 0, 0.0 3,-0.4 -0.101 19.8-120.7 -54.9 142.0 21.8 25.1 32.6 16 22 A K H > S+ 0 0 136 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.914 110.4 60.3 -52.6 -42.4 23.7 28.2 33.2 17 23 A W H > S+ 0 0 30 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.913 106.7 45.2 -54.7 -44.2 23.0 29.4 29.6 18 24 A F H > S+ 0 0 0 -3,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.933 109.4 54.3 -65.1 -48.8 19.3 29.4 30.1 19 25 A D H < S+ 0 0 60 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.833 117.2 38.8 -54.8 -32.7 19.5 31.1 33.5 20 26 A K H < S+ 0 0 107 -4,-2.0 331,-1.8 -5,-0.2 -1,-0.2 0.681 95.6 79.4 -91.9 -21.7 21.5 33.9 31.9 21 27 A A H < - 0 0 7 -4,-1.8 2,-2.4 -5,-0.2 -2,-0.2 0.843 63.0-179.6 -57.9 -35.8 19.7 34.2 28.5 22 28 A K < + 0 0 4 -4,-0.9 293,-2.5 -3,-0.1 2,-0.4 -0.070 57.3 51.7 63.9 -39.0 16.8 36.2 30.0 23 29 A F E +a 315 0A 0 -2,-2.4 91,-3.0 291,-0.2 92,-0.7 -0.984 58.8 169.4-142.4 128.4 14.9 36.6 26.8 24 30 A G E -ab 316 115A 0 291,-2.3 293,-2.2 -2,-0.4 2,-0.5 -0.891 29.4-123.6-128.9 159.4 13.6 34.1 24.1 25 31 A I E -ab 317 116A 0 90,-2.6 92,-3.1 -2,-0.3 2,-0.3 -0.920 18.9-162.4-108.3 122.8 11.3 34.1 21.1 26 32 A F E -ab 318 117A 3 291,-3.4 293,-2.7 -2,-0.5 2,-0.4 -0.752 10.2-159.1 -92.4 145.0 8.4 31.5 21.1 27 33 A I E -ab 319 118A 1 90,-2.5 92,-2.6 -2,-0.3 2,-0.8 -0.934 11.7-168.4-134.9 116.5 6.9 31.0 17.6 28 34 A H + 0 0 6 291,-1.6 258,-0.4 256,-0.5 2,-0.4 -0.879 28.6 152.3-102.5 105.8 3.4 29.6 17.0 29 35 A W + 0 0 8 -2,-0.8 2,-0.3 90,-0.2 99,-0.1 -0.999 10.7 113.9-139.4 128.4 3.3 28.7 13.3 30 36 A G S > S- 0 0 2 -2,-0.4 3,-2.2 291,-0.2 4,-0.4 -0.960 79.5 -59.7-172.6-172.2 1.1 26.1 11.7 31 37 A I G > S+ 0 0 0 1,-0.3 3,-1.3 -2,-0.3 5,-0.2 0.779 125.7 66.7 -62.0 -20.5 -1.7 25.5 9.3 32 38 A Y G 3> S+ 0 0 3 1,-0.3 4,-2.1 2,-0.2 5,-0.4 0.746 85.5 72.3 -68.9 -21.9 -3.9 27.5 11.7 33 39 A S G <4 S+ 0 0 1 -3,-2.2 290,-0.6 1,-0.2 -1,-0.3 0.812 88.6 63.5 -60.3 -30.0 -1.7 30.4 10.7 34 40 A V T <4 S+ 0 0 21 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.958 110.1 32.9 -64.5 -57.7 -3.5 30.3 7.2 35 41 A P T 4 S- 0 0 0 0, 0.0 253,-0.2 0, 0.0 -1,-0.2 0.916 91.1-177.7 -66.9 -27.1 -7.1 31.2 8.4 36 42 A G < + 0 0 0 -4,-2.1 252,-3.1 -5,-0.2 2,-0.4 0.853 29.2 136.6 37.4 55.6 -5.1 33.2 10.9 37 43 A W + 0 0 31 -5,-0.4 2,-0.3 250,-0.2 -1,-0.1 -0.986 21.0 143.9-141.5 138.4 -8.3 34.3 12.6 38 44 A A - 0 0 2 -2,-0.4 251,-0.2 -3,-0.1 21,-0.1 -0.985 51.4-103.4-163.2 149.5 -9.8 34.7 16.1 39 45 A T - 0 0 26 17,-0.7 2,-2.5 -2,-0.3 3,-0.3 -0.720 38.7-136.8 -74.9 113.4 -12.2 36.9 18.1 40 46 A P + 0 0 38 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 -0.330 45.7 154.4 -72.6 60.6 -9.6 39.0 20.2 41 47 A T - 0 0 70 -2,-2.5 2,-0.3 14,-0.4 15,-0.1 0.854 49.3 -89.5 -59.5 -45.8 -11.7 38.7 23.4 42 48 A G - 0 0 13 -3,-0.3 2,-0.4 240,-0.1 -1,-0.1 -0.948 52.3 -29.1 172.0-151.1 -8.9 39.2 26.0 43 49 A E >> - 0 0 58 -2,-0.3 3,-2.8 -3,-0.1 4,-1.1 -0.894 55.8-105.7-112.0 138.3 -6.2 37.8 28.3 44 50 A L T 34 S+ 0 0 21 -2,-0.4 218,-1.6 1,-0.3 219,-0.3 -0.383 114.6 34.2 -56.6 128.6 -6.0 34.4 29.9 45 51 A G T 34 S+ 0 0 44 2,-0.4 -1,-0.3 217,-0.2 216,-0.0 0.252 117.8 59.2 103.9 -8.5 -6.8 35.1 33.6 46 52 A K T <4 S+ 0 0 146 -3,-2.8 -2,-0.2 1,-0.1 0, 0.0 0.557 85.9 76.5-123.6 -21.3 -9.2 37.8 32.5 47 53 A V S < S- 0 0 16 -4,-1.1 -2,-0.4 1,-0.0 2,-0.4 -0.826 89.1-113.4 -95.6 129.0 -11.7 36.0 30.3 48 54 A P >> - 0 0 75 0, 0.0 3,-2.6 0, 0.0 4,-1.9 -0.471 19.4-138.6 -64.6 119.9 -14.3 33.9 32.2 49 55 A M T 34 S+ 0 0 65 -2,-0.4 4,-0.4 1,-0.3 -2,-0.0 0.515 96.5 79.0 -58.6 -1.8 -13.6 30.3 31.2 50 56 A D T 34 S+ 0 0 119 1,-0.1 -1,-0.3 2,-0.1 4,-0.0 0.789 113.7 16.3 -76.9 -26.4 -17.3 29.8 31.0 51 57 A A T X> S+ 0 0 39 -3,-2.6 3,-2.1 2,-0.1 4,-1.3 0.614 100.2 99.9-117.3 -22.9 -17.3 31.5 27.6 52 58 A W G >< S+ 0 0 6 -4,-1.9 3,-1.0 1,-0.3 -3,-0.1 0.817 82.8 47.1 -33.5 -60.8 -13.5 31.3 26.7 53 59 A F G 34 S+ 0 0 7 -4,-0.4 3,-0.4 127,-0.3 -1,-0.3 0.711 114.1 48.9 -64.3 -18.2 -13.6 28.3 24.4 54 60 A F G <4 S+ 0 0 53 -3,-2.1 -1,-0.3 1,-0.2 19,-0.2 0.600 122.9 32.3 -90.8 -19.6 -16.6 29.7 22.5 55 61 A Q S << S+ 0 0 69 -4,-1.3 -14,-0.4 -3,-1.0 -1,-0.2 -0.292 88.8 179.2-125.6 42.0 -15.0 33.2 22.1 56 62 A N - 0 0 3 -3,-0.4 -17,-0.7 1,-0.2 -3,-0.1 -0.248 18.6-169.7 -55.9 115.3 -11.5 31.8 21.8 57 63 A P + 0 0 0 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 0.412 63.5 93.2 -85.2 3.3 -8.9 34.6 21.4 58 64 A Y > - 0 0 17 1,-0.2 3,-2.1 225,-0.2 225,-0.1 -0.865 61.2-162.0 -98.8 109.0 -6.1 32.1 20.6 59 65 A A G > S+ 0 0 1 -2,-0.8 3,-1.9 226,-0.5 -22,-0.2 0.786 85.9 68.3 -64.3 -28.4 -5.9 31.6 16.9 60 66 A E G 3 S+ 0 0 4 1,-0.3 3,-0.4 225,-0.2 -1,-0.3 0.745 92.1 66.4 -61.0 -17.3 -3.9 28.4 17.1 61 67 A W G <> + 0 0 17 -3,-2.1 4,-2.6 1,-0.2 3,-0.4 0.315 65.7 119.4 -84.9 12.6 -7.2 27.0 18.6 62 68 A Y H <> S+ 0 0 2 -3,-1.9 4,-3.2 1,-0.2 -1,-0.2 0.821 70.3 50.3 -45.9 -48.9 -9.0 27.4 15.3 63 69 A E H > S+ 0 0 6 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.935 111.8 47.6 -62.4 -44.8 -9.8 23.7 14.8 64 70 A N H 4 S+ 0 0 0 -3,-0.4 4,-0.5 1,-0.2 3,-0.3 0.943 115.6 45.6 -59.7 -46.8 -11.3 23.4 18.3 65 71 A S H >< S+ 0 0 4 -4,-2.6 3,-1.3 1,-0.2 9,-0.4 0.899 110.0 55.0 -62.4 -40.4 -13.3 26.5 17.8 66 72 A L H 3< S+ 0 0 20 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.831 100.7 59.6 -61.0 -32.4 -14.4 25.4 14.3 67 73 A R T 3< S+ 0 0 47 -4,-1.8 2,-1.0 -3,-0.3 -1,-0.3 0.655 89.7 80.2 -72.1 -14.1 -15.7 22.1 15.8 68 74 A I S < S- 0 0 4 -3,-1.3 6,-0.4 -4,-0.5 -1,-0.1 -0.821 83.9-142.9 -93.8 99.5 -18.1 24.2 18.0 69 75 A K S S+ 0 0 136 -2,-1.0 -2,-0.1 1,-0.2 4,-0.0 -0.278 81.1 26.7 -61.7 146.4 -20.9 25.0 15.6 70 76 A E S S+ 0 0 153 1,-0.3 -1,-0.2 -4,-0.1 3,-0.1 0.998 91.2 127.6 60.6 65.2 -22.4 28.4 15.9 71 77 A S S > S- 0 0 6 -5,-0.1 4,-2.4 1,-0.1 3,-0.4 -0.945 78.0-105.3-143.8 146.1 -19.2 29.9 17.3 72 78 A P H > S+ 0 0 39 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.902 122.4 51.6 -45.2 -43.0 -17.7 33.0 15.8 73 79 A T H > S+ 0 0 6 -19,-0.2 4,-3.1 2,-0.2 5,-0.2 0.903 108.2 50.6 -61.1 -42.5 -15.0 30.8 14.2 74 80 A W H > S+ 0 0 45 -3,-0.4 4,-2.3 -6,-0.4 5,-0.3 0.946 111.6 47.8 -61.3 -48.0 -17.5 28.5 12.7 75 81 A E H X S+ 0 0 105 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.937 113.8 47.2 -55.6 -50.8 -19.5 31.4 11.2 76 82 A Y H X S+ 0 0 39 -4,-2.7 4,-2.3 -5,-0.3 5,-0.3 0.902 111.8 51.5 -59.9 -43.3 -16.3 32.9 9.8 77 83 A H H X>S+ 0 0 3 -4,-3.1 4,-3.2 -5,-0.2 5,-1.9 0.928 109.8 46.3 -60.6 -49.1 -15.1 29.6 8.3 78 84 A V H <5S+ 0 0 39 -4,-2.3 5,-0.3 3,-0.2 -1,-0.2 0.861 117.1 45.3 -64.4 -36.2 -18.4 28.8 6.4 79 85 A K H <5S+ 0 0 171 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.906 124.0 32.9 -73.5 -39.3 -18.6 32.3 5.0 80 86 A T H <5S+ 0 0 58 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.845 140.2 8.4 -83.8 -44.5 -14.8 32.5 4.0 81 87 A Y T <5S- 0 0 68 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.1 0.678 104.5-110.8-115.0 -26.1 -13.9 28.9 3.1 82 88 A G > < - 0 0 23 -5,-1.9 3,-1.6 1,-0.1 -3,-0.1 -0.023 25.2 -87.8 105.7 149.5 -17.2 26.9 3.0 83 89 A E T 3 S+ 0 0 138 -5,-0.3 -1,-0.1 1,-0.3 -5,-0.1 0.820 122.3 57.1 -58.1 -37.8 -18.8 24.2 5.1 84 90 A N T 3 S+ 0 0 148 -6,-0.1 2,-0.9 -3,-0.1 -1,-0.3 0.360 80.9 100.2 -79.4 2.2 -17.1 21.5 3.1 85 91 A F < - 0 0 30 -3,-1.6 2,-0.1 -8,-0.1 -4,-0.1 -0.802 64.3-151.1 -99.0 107.5 -13.7 22.7 3.8 86 92 A E > - 0 0 98 -2,-0.9 3,-1.4 1,-0.1 4,-0.4 -0.446 21.7-119.2 -73.4 148.5 -12.1 20.6 6.5 87 93 A Y G > S+ 0 0 4 1,-0.3 3,-3.0 2,-0.2 4,-0.3 0.909 112.4 61.7 -50.5 -52.3 -9.5 22.0 8.8 88 94 A E G > S+ 0 0 70 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.770 88.4 74.4 -49.3 -27.9 -6.9 19.5 7.7 89 95 A K G X> S+ 0 0 80 -3,-1.4 3,-2.1 1,-0.3 4,-0.5 0.764 78.1 74.1 -61.2 -25.5 -7.3 21.0 4.2 90 96 A F H X> S+ 0 0 0 -3,-3.0 4,-1.5 -4,-0.4 3,-0.7 0.771 78.0 74.1 -60.1 -23.9 -5.3 24.0 5.4 91 97 A A H <4 S+ 0 0 0 -3,-1.9 51,-1.6 -4,-0.3 -1,-0.3 0.758 95.5 54.2 -61.9 -15.6 -2.1 21.9 5.3 92 98 A D H <4 S+ 0 0 75 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.779 110.5 42.1 -86.9 -27.5 -2.5 22.3 1.5 93 99 A L H << S+ 0 0 77 -3,-0.7 2,-1.8 -4,-0.5 -2,-0.2 0.512 89.9 95.2 -93.9 -5.7 -2.6 26.1 1.6 94 100 A F < + 0 0 0 -4,-1.5 -1,-0.1 1,-0.2 230,-0.1 -0.587 45.1 146.8 -86.9 85.8 0.1 26.3 4.1 95 101 A T - 0 0 56 -2,-1.8 -1,-0.2 47,-0.2 4,-0.2 0.477 47.6-143.6-106.1 1.6 2.9 26.8 1.6 96 102 A A > + 0 0 7 227,-1.7 3,-2.2 -3,-0.1 228,-0.2 0.755 34.7 169.4 40.9 30.2 5.3 29.1 3.4 97 103 A E T 3 S+ 0 0 142 1,-0.3 228,-0.1 226,-0.2 -1,-0.1 0.767 72.0 34.1 -33.5 -49.3 5.9 30.6 -0.1 98 104 A K T 3 S+ 0 0 138 226,-2.3 2,-0.4 2,-0.0 -1,-0.3 -0.161 85.0 137.6-108.2 33.4 7.9 33.6 1.3 99 105 A W < + 0 0 15 -3,-2.2 227,-0.1 -4,-0.2 226,-0.1 -0.703 22.0 173.1 -89.0 132.3 9.7 32.0 4.2 100 106 A D >> - 0 0 58 225,-0.5 4,-1.5 -2,-0.4 3,-1.0 -0.871 12.8-167.2-132.8 99.5 13.4 32.8 4.8 101 107 A P H 3> S+ 0 0 11 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.873 87.7 58.5 -57.1 -36.0 14.7 31.2 8.0 102 108 A Q H 3> S+ 0 0 136 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.838 103.5 54.6 -62.0 -32.6 17.9 33.3 8.0 103 109 A E H <> S+ 0 0 126 -3,-1.0 4,-2.4 2,-0.2 -1,-0.3 0.878 108.5 47.9 -68.9 -37.8 15.7 36.3 8.0 104 110 A W H X S+ 0 0 8 -4,-1.5 4,-3.0 2,-0.2 5,-0.3 0.964 112.7 46.8 -65.4 -51.2 13.9 35.2 11.1 105 111 A A H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.898 112.1 52.1 -59.6 -37.5 17.0 34.3 13.0 106 112 A D H X S+ 0 0 83 -4,-2.1 4,-2.8 -5,-0.3 -1,-0.2 0.977 111.0 46.5 -61.7 -50.1 18.4 37.5 12.0 107 113 A L H X S+ 0 0 12 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.848 112.3 50.0 -59.7 -36.6 15.4 39.4 13.2 108 114 A F H <>S+ 0 0 0 -4,-3.0 5,-2.0 2,-0.2 -1,-0.2 0.853 110.4 50.6 -74.2 -32.0 15.3 37.5 16.5 109 115 A K H ><5S+ 0 0 112 -4,-2.4 3,-1.9 -5,-0.3 -2,-0.2 0.953 111.6 47.3 -67.1 -46.1 19.0 38.2 17.1 110 116 A K H 3<5S+ 0 0 96 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.909 105.7 60.4 -61.3 -37.7 18.4 41.9 16.4 111 117 A A T 3<5S- 0 0 0 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.506 120.8-108.2 -69.7 0.4 15.4 41.8 18.8 112 118 A G T < 5 + 0 0 8 -3,-1.9 -89,-0.2 1,-0.3 -3,-0.2 0.469 67.3 149.0 90.0 -1.1 17.7 40.8 21.6 113 119 A A < - 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