==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-OCT-11 3U7B . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM OXYSPORUM; . AUTHOR M.DIMAROGONA,E.TOPAKAS,P.CHRISTAKOPOULOS,E.D.CHRYSINA . 1632 5 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55655.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1173 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 244 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.6 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 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 153 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 536 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 1.5 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 15 0 10 5 0 0 1 7 12 0 0 5 0 0 3 4 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 5 10 21 9 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 . 16 5 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 10 5 0 0 0 0 0 5 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 1 A A 0 0 128 0, 0.0 7,-0.1 0, 0.0 321,-0.0 0.000 360.0 360.0 360.0 148.4 18.9 0.0 60.4 2 2 A A - 0 0 26 1,-0.1 323,-0.1 319,-0.1 6,-0.0 -0.273 360.0-147.6 -64.1 151.4 17.7 3.5 61.3 3 3 A S S S+ 0 0 58 400,-0.0 2,-0.3 5,-0.0 -1,-0.1 0.447 74.4 50.4-106.3 -4.4 19.7 6.4 60.0 4 4 A G S > S- 0 0 0 33,-0.2 4,-2.2 1,-0.1 34,-0.2 -0.932 82.9-115.9-132.4 160.0 19.3 9.0 62.8 5 5 A L H > S+ 0 0 0 -2,-0.3 4,-2.3 2,-0.2 33,-0.2 0.908 112.2 46.6 -64.0 -49.4 19.8 8.8 66.6 6 6 A E H > S+ 0 0 22 32,-1.3 4,-2.4 2,-0.2 32,-0.2 0.929 114.2 48.2 -57.0 -49.4 16.2 9.4 67.6 7 7 A A H > S+ 0 0 23 30,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.889 111.2 52.0 -60.1 -39.4 14.8 6.9 65.1 8 8 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 29,-0.4 -1,-0.2 0.897 109.5 48.7 -63.0 -42.8 17.4 4.4 66.2 9 9 A M H <>S+ 0 0 0 -4,-2.3 5,-2.9 2,-0.2 4,-0.4 0.922 113.1 47.6 -64.2 -44.1 16.4 4.8 69.9 10 10 A K H ><5S+ 0 0 110 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.917 111.0 50.4 -61.7 -46.0 12.7 4.4 69.0 11 11 A A H 3<5S+ 0 0 84 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.815 109.5 52.5 -62.4 -32.0 13.3 1.3 66.9 12 12 A A T 3<5S- 0 0 50 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.505 124.3-103.2 -82.5 -6.5 15.3 -0.2 69.8 13 13 A G T < 5S+ 0 0 67 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.520 79.8 129.1 95.2 7.1 12.4 0.4 72.2 14 14 A K < - 0 0 22 -5,-2.9 -1,-0.3 -6,-0.2 267,-0.2 -0.398 61.3-124.0 -87.1 170.9 13.9 3.4 73.9 15 15 A Q - 0 0 77 265,-2.9 2,-0.3 1,-0.3 266,-0.2 0.826 69.6 -27.5 -87.8 -35.3 12.1 6.8 74.5 16 16 A Y E -a 281 0A 0 264,-0.8 266,-1.4 -7,-0.1 2,-0.4 -0.987 33.8-133.5-169.8 156.6 14.3 9.4 72.9 17 17 A F E +a 282 0A 0 -2,-0.3 23,-3.0 264,-0.2 24,-0.8 -0.998 44.1 176.3-118.1 127.9 17.6 10.8 71.8 18 18 A G E -ab 283 41A 0 264,-3.1 266,-2.3 -2,-0.4 2,-0.3 -0.656 20.4-152.9-124.7 174.1 18.0 14.4 72.9 19 19 A T E -ab 284 42A 0 22,-1.7 24,-2.1 264,-0.3 266,-0.2 -0.993 25.0-112.3-146.4 148.3 20.3 17.4 73.0 20 20 A A E - b 0 43A 1 264,-2.1 2,-0.4 -2,-0.3 267,-0.3 -0.474 41.9-159.6 -64.1 147.8 21.0 20.5 75.0 21 21 A L E - b 0 44A 4 22,-2.3 24,-2.6 -2,-0.1 2,-0.5 -0.994 27.3-173.8-142.1 134.2 20.2 23.7 73.1 22 22 A T - 0 0 20 -2,-0.4 2,-0.3 22,-0.2 1256,-0.0 -0.998 32.2-132.1-113.1 120.4 21.0 27.4 73.1 23 23 A V + 0 0 55 -2,-0.5 2,-0.3 41,-0.1 4,-0.1 -0.591 44.6 153.3 -69.0 125.8 18.9 29.2 70.5 24 24 A R - 0 0 62 -2,-0.3 6,-0.1 2,-0.3 1248,-0.0 -0.939 59.6 -98.7-149.4 169.6 21.3 31.5 68.5 25 25 A N S S+ 0 0 108 -2,-0.3 2,-0.5 2,-0.1 -1,-0.0 0.821 99.8 89.0 -64.0 -33.4 21.7 33.2 65.1 26 26 A D - 0 0 33 1,-0.1 3,-0.4 1246,-0.1 4,-0.4 -0.578 62.9-166.9 -65.0 113.9 24.1 30.4 64.0 27 27 A Q > + 0 0 31 611,-0.6 4,-2.7 -2,-0.5 5,-0.3 0.411 57.3 105.0 -88.0 0.4 21.7 27.8 62.5 28 28 A G H > S+ 0 0 13 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.878 86.8 34.7 -50.3 -50.2 24.2 24.9 62.3 29 29 A E H >> S+ 0 0 9 -3,-0.4 4,-2.3 2,-0.2 3,-0.7 0.937 116.8 51.8 -73.1 -48.9 22.9 23.0 65.3 30 30 A I H 3> S+ 0 0 24 -4,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.870 105.1 56.9 -59.7 -36.3 19.1 23.7 64.9 31 31 A D H 3< S+ 0 0 13 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.836 110.5 44.8 -64.2 -31.7 19.2 22.6 61.2 32 32 A I H X< S+ 0 0 6 -4,-0.8 3,-1.0 -3,-0.7 -2,-0.2 0.867 112.0 52.2 -73.3 -40.7 20.6 19.2 62.4 33 33 A I H 3< S+ 0 0 0 -4,-2.3 6,-0.5 1,-0.2 -2,-0.2 0.826 93.7 72.8 -64.7 -35.1 18.0 19.1 65.2 34 34 A N T 3< S+ 0 0 27 -4,-2.4 2,-0.8 -5,-0.2 -1,-0.2 0.720 72.8 98.5 -52.7 -28.1 15.1 19.8 62.7 35 35 A N X> - 0 0 13 -3,-1.0 3,-2.0 -4,-0.3 4,-1.8 -0.561 65.6-157.4 -66.4 106.5 15.6 16.2 61.4 36 36 A K T 34 S+ 0 0 71 -2,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.700 93.6 55.8 -64.1 -19.9 12.8 14.2 63.3 37 37 A N T 34 S+ 0 0 54 -31,-0.1 -30,-2.5 1,-0.1 -29,-0.4 0.608 110.8 46.4 -82.3 -13.2 14.8 11.0 62.8 38 38 A E T <4 S+ 0 0 5 -3,-2.0 -32,-1.3 1,-0.3 2,-0.4 0.894 119.1 17.6 -92.8 -50.3 17.9 12.7 64.5 39 39 A I < + 0 0 0 -4,-1.8 -1,-0.3 -6,-0.5 -21,-0.2 -0.981 44.9 168.2-133.8 137.0 16.6 14.3 67.7 40 40 A G + 0 0 7 -23,-3.0 38,-2.7 -2,-0.4 2,-0.3 0.287 67.7 47.6-129.8 7.8 13.3 13.9 69.7 41 41 A S E -bc 18 78A 0 -24,-0.8 -22,-1.7 36,-0.2 2,-0.4 -0.992 59.7-158.0-151.4 145.4 14.1 15.8 72.9 42 42 A I E -bc 19 79A 1 36,-1.8 38,-2.5 -2,-0.3 -22,-0.2 -0.979 5.0-164.4-126.1 135.8 15.5 19.2 73.9 43 43 A T E -b 20 0A 0 -24,-2.1 -22,-2.3 -2,-0.4 2,-0.2 -0.962 28.3-128.6-113.4 111.9 17.1 20.4 77.1 44 44 A P E -b 21 0A 0 0, 0.0 4,-0.3 0, 0.0 38,-0.2 -0.426 18.5-145.5 -56.4 124.1 17.3 24.2 77.3 45 45 A E S S- 0 0 34 -24,-2.6 -23,-0.1 -2,-0.2 -25,-0.0 0.877 79.6 -14.6 -64.7 -41.5 21.0 24.8 78.1 46 46 A N S > S+ 0 0 29 -25,-0.4 3,-1.4 18,-0.1 6,-0.3 0.555 108.9 92.5-136.4 -20.3 20.6 27.9 80.3 47 47 A A T 3 S+ 0 0 2 1,-0.3 18,-0.4 17,-0.2 19,-0.1 0.596 91.4 44.2 -65.6 -15.9 17.1 29.4 79.9 48 48 A M T 3 S+ 0 0 1 34,-0.6 -1,-0.3 -4,-0.3 -3,-0.1 0.368 81.6 114.7-115.6 5.0 15.4 27.5 82.8 49 49 A K S <> S- 0 0 3 -3,-1.4 4,-2.1 1,-0.1 3,-0.4 -0.325 81.7-102.9 -68.1 158.4 18.0 27.8 85.6 50 50 A W H > S+ 0 0 8 33,-0.4 4,-3.1 34,-0.3 40,-0.1 0.896 120.9 51.2 -54.6 -49.3 17.0 29.9 88.6 51 51 A E H 4 S+ 0 0 25 38,-0.7 -1,-0.2 1,-0.2 39,-0.1 0.877 113.5 45.9 -54.3 -41.7 19.0 33.0 87.7 52 52 A A H 4 S+ 0 0 4 -3,-0.4 -1,-0.2 -6,-0.3 -2,-0.2 0.859 119.4 39.7 -70.0 -36.8 17.5 33.0 84.2 53 53 A I H < S+ 0 0 0 -4,-2.1 8,-2.5 1,-0.2 -2,-0.2 0.828 134.6 13.8 -87.0 -38.0 13.9 32.4 85.4 54 54 A Q < + 0 0 7 -4,-3.1 -1,-0.2 -5,-0.2 6,-0.2 -0.532 65.4 159.9-139.9 71.3 13.8 34.7 88.5 55 55 A P S S+ 0 0 9 0, 0.0 38,-0.3 0, 0.0 2,-0.3 0.806 76.7 31.1 -66.4 -31.4 16.9 37.0 88.5 56 56 A N B > S-I 59 0B 58 3,-0.8 3,-2.1 -3,-0.1 2,-0.1 -0.961 107.3 -86.2-125.3 147.4 15.2 39.4 90.9 57 57 A R T 3 S- 0 0 146 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.286 110.6 -1.7 -60.2 121.4 12.7 38.4 93.6 58 58 A G T 3 S+ 0 0 54 -2,-0.1 2,-0.7 1,-0.1 -1,-0.3 0.364 107.8 106.2 82.3 -3.3 9.1 38.3 92.3 59 59 A Q B < -I 56 0B 126 -3,-2.1 -3,-0.8 1138,-0.0 2,-0.1 -0.814 55.9-164.2-114.1 90.3 10.2 39.4 88.8 60 60 A F - 0 0 63 -2,-0.7 2,-0.6 -6,-0.2 -6,-0.2 -0.421 12.0-150.3 -79.6 149.4 10.1 36.4 86.5 61 61 A N + 0 0 40 -8,-2.5 4,-0.5 1,-0.1 -1,-0.1 -0.846 26.6 162.1-124.1 89.1 11.9 36.4 83.1 62 62 A W > + 0 0 56 -2,-0.6 4,-3.3 1,-0.2 5,-0.3 0.710 49.0 89.2 -87.6 -24.0 9.9 34.1 80.8 63 63 A G H > S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.872 93.2 37.0 -42.7 -63.4 11.2 35.2 77.4 64 64 A P H > S+ 0 0 11 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.911 119.3 49.0 -61.9 -43.5 14.2 32.9 77.0 65 65 A A H > S+ 0 0 0 -4,-0.5 4,-2.9 -18,-0.4 5,-0.2 0.920 111.6 49.3 -61.9 -45.6 12.5 29.9 78.6 66 66 A D H X S+ 0 0 54 -4,-3.3 4,-2.2 2,-0.2 -1,-0.2 0.880 111.7 50.8 -55.4 -43.6 9.4 30.4 76.4 67 67 A Q H X S+ 0 0 96 -4,-2.1 4,-1.2 -5,-0.3 -2,-0.2 0.903 114.0 42.3 -64.1 -44.9 11.6 30.6 73.4 68 68 A H H X S+ 0 0 10 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.890 114.1 51.0 -71.9 -40.0 13.5 27.4 74.2 69 69 A A H >X S+ 0 0 2 -4,-2.9 4,-2.6 1,-0.2 3,-0.6 0.891 108.7 53.4 -60.3 -41.1 10.3 25.5 75.2 70 70 A A H 3X S+ 0 0 45 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.807 97.7 64.4 -65.1 -32.4 8.7 26.6 71.9 71 71 A A H 3< S+ 0 0 11 -4,-1.2 -1,-0.2 2,-0.2 4,-0.2 0.854 112.9 35.5 -57.8 -35.2 11.7 25.1 70.0 72 72 A A H X<>S+ 0 0 0 -4,-0.9 5,-3.0 -3,-0.6 3,-1.0 0.925 118.6 47.6 -83.2 -50.5 10.6 21.7 71.4 73 73 A T H ><5S+ 0 0 57 -4,-2.6 3,-1.2 1,-0.2 -3,-0.2 0.872 106.8 56.9 -62.1 -39.8 6.8 22.1 71.3 74 74 A S T 3<5S+ 0 0 92 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.708 113.9 41.2 -65.4 -20.1 6.7 23.5 67.8 75 75 A R T < 5S- 0 0 57 -3,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.393 115.0-115.1-103.6 -1.0 8.5 20.3 66.6 76 76 A G T < 5 + 0 0 69 -3,-1.2 -3,-0.2 -4,-0.4 2,-0.2 0.778 67.1 148.0 69.1 28.9 6.5 18.0 68.8 77 77 A Y < - 0 0 24 -5,-3.0 -36,-0.2 -6,-0.1 -1,-0.2 -0.551 51.2-105.5 -93.2 158.0 9.6 17.1 70.7 78 78 A E E -c 41 0A 53 -38,-2.7 -36,-1.8 -2,-0.2 2,-0.4 -0.310 31.9-143.5 -72.3 164.6 10.0 16.1 74.4 79 79 A L E -c 42 0A 1 43,-0.3 45,-2.0 -38,-0.2 46,-1.6 -0.975 9.9-158.5-139.8 119.1 11.5 18.7 76.8 80 80 A R E -d 125 0A 2 -38,-2.5 2,-0.4 -2,-0.4 46,-0.2 -0.897 22.5-145.4 -94.2 116.0 13.8 18.1 79.7 81 81 A a E -d 126 0A 0 44,-3.3 46,-2.6 -2,-0.7 2,-0.4 -0.730 15.9-138.1 -91.0 129.8 13.4 21.1 82.0 82 82 A H E -d 127 0A 7 -2,-0.4 -34,-0.6 1,-0.2 46,-0.1 -0.975 49.4 -9.3-144.6 113.1 16.6 22.1 83.8 83 83 A T E + 0 0 1 44,-0.5 -33,-0.4 -2,-0.4 -1,-0.2 0.693 34.4 160.0-156.0 156.8 16.7 22.9 86.6 84 84 A L E S+ 0 0 1 43,-2.2 2,-0.8 1,-0.2 -34,-0.3 0.958 83.0 27.8 -79.9 -84.1 15.0 23.9 89.9 85 85 A V E S+d 129 0A 2 43,-2.9 45,-2.5 42,-0.1 2,-0.3 -0.739 77.3 143.7 -93.0 108.3 17.1 23.5 93.1 86 86 A W E -d 130 0A 32 -2,-0.8 45,-0.1 43,-0.2 -36,-0.1 -0.998 47.7-142.6-149.1 137.0 20.8 23.9 92.3 87 87 A H S > S+ 0 0 59 43,-0.6 3,-0.7 -2,-0.3 2,-0.2 0.742 77.4 88.2 -71.2 -27.9 23.7 25.5 94.1 88 88 A S T 3 S- 0 0 39 1,-0.2 -2,-0.1 54,-0.0 54,-0.0 -0.555 98.8 -1.4 -84.7 139.8 25.4 26.9 91.0 89 89 A Q T 3 S+ 0 0 77 -2,-0.2 -38,-0.7 1,-0.2 -1,-0.2 0.835 80.5 170.2 53.4 39.8 24.5 30.4 89.5 90 90 A L < - 0 0 23 -3,-0.7 -1,-0.2 -40,-0.1 -3,-0.0 -0.575 43.9 -99.4 -70.8 142.7 21.9 31.1 92.2 91 91 A P >> - 0 0 0 0, 0.0 4,-2.5 0, 0.0 3,-1.4 -0.353 31.5-115.2 -59.3 148.2 20.8 34.8 92.0 92 92 A S H 3> S+ 0 0 81 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.861 114.7 61.3 -53.0 -40.2 22.5 36.9 94.7 93 93 A W H 34 S+ 0 0 50 -38,-0.3 -1,-0.3 1,-0.2 5,-0.1 0.753 113.1 36.3 -63.1 -25.4 19.2 37.5 96.4 94 94 A V H X4 S+ 0 0 0 -3,-1.4 3,-0.9 2,-0.1 -2,-0.2 0.900 120.6 44.2 -87.5 -53.0 18.8 33.8 97.1 95 95 A A H 3< S+ 0 0 33 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.866 125.2 32.8 -61.1 -42.0 22.5 32.8 97.7 96 96 A N T 3< S+ 0 0 127 -4,-2.9 -1,-0.2 -5,-0.2 -3,-0.1 0.209 92.7 128.1-102.0 12.0 23.2 35.8 100.0 97 97 A G < - 0 0 27 -3,-0.9 2,-1.1 -5,-0.2 -3,-0.1 -0.275 66.3-120.3 -68.6 153.5 19.7 36.1 101.5 98 98 A N + 0 0 167 -5,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.767 52.5 174.4 -93.8 88.2 19.1 36.2 105.3 99 99 A W - 0 0 38 -2,-1.1 2,-0.3 -5,-0.1 3,-0.0 -0.655 30.0-165.4-104.3 149.8 16.9 33.1 105.5 100 100 A N > - 0 0 88 -2,-0.3 4,-2.4 1,-0.0 5,-0.3 -0.830 47.6 -94.3-113.4 167.7 15.3 31.0 108.2 101 101 A N H > S+ 0 0 69 -2,-0.3 4,-1.5 46,-0.2 5,-0.1 0.869 123.5 43.3 -45.1 -50.2 13.9 27.5 107.5 102 102 A Q H > S+ 0 0 130 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.867 113.6 48.8 -67.9 -40.6 10.3 28.8 106.8 103 103 A T H > S+ 0 0 53 -3,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.850 110.4 49.6 -74.8 -35.4 11.2 31.8 104.7 104 104 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.869 110.3 52.5 -67.2 -37.5 13.6 29.9 102.3 105 105 A Q H X S+ 0 0 23 -4,-1.5 4,-2.9 -5,-0.3 -2,-0.2 0.871 106.5 52.2 -64.7 -39.4 10.9 27.2 101.9 106 106 A A H X S+ 0 0 37 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.871 110.4 49.4 -62.9 -37.7 8.4 29.9 100.9 107 107 A V H X S+ 0 0 4 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.898 111.6 48.2 -66.5 -44.1 10.9 31.2 98.3 108 108 A M H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.945 112.4 49.7 -57.9 -49.4 11.4 27.6 97.0 109 109 A R H X S+ 0 0 105 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.879 110.8 48.3 -59.1 -45.1 7.6 27.1 96.8 110 110 A D H X S+ 0 0 93 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.920 115.2 44.8 -64.2 -44.9 7.0 30.3 94.9 111 111 A H H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.963 116.7 44.5 -62.7 -54.7 9.8 29.6 92.4 112 112 A I H X>S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 5,-0.5 0.911 113.5 51.3 -57.3 -47.6 8.8 26.0 91.8 113 113 A N H X5S+ 0 0 74 -4,-2.8 4,-1.7 -5,-0.3 -1,-0.2 0.925 113.9 43.1 -55.1 -48.8 5.1 26.8 91.6 114 114 A A H X5S+ 0 0 32 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.918 119.6 39.1 -69.4 -45.8 5.5 29.6 89.0 115 115 A V H X5S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.925 120.7 42.3 -76.7 -44.2 8.1 27.8 86.7 116 116 A M H <5S+ 0 0 0 -4,-2.2 4,-0.2 -5,-0.3 7,-0.2 0.890 114.7 54.3 -65.5 -37.9 6.6 24.3 86.8 117 117 A G H ><X S+ 0 0 3 -4,-1.5 3,-2.1 -5,-0.1 4,-2.1 0.160 81.0 141.2-101.9 18.3 5.4 24.8 81.5 120 120 A R T <4 S+ 0 0 128 -3,-0.8 4,-0.1 1,-0.3 -3,-0.1 -0.415 74.1 21.6 -62.4 127.4 3.0 22.1 82.7 121 121 A G T 34 S+ 0 0 68 2,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.403 121.7 63.8 89.1 -0.7 2.2 19.7 79.9 122 122 A K T <4 S+ 0 0 103 -3,-2.1 2,-0.8 1,-0.1 -43,-0.3 0.650 80.1 79.6-118.0 -38.8 5.4 20.7 78.1 123 123 A a < - 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