==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-SEP-08 3EMC . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SP. BP-23; . AUTHOR J.SANZ-APARICIO,P.ISORNA,B.GONZALEZ . 331 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14445.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.0 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 19 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 1 1 1 0 0 0 0 1 2 0 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 5 1 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 0 0 1 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 S 0 0 110 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -23.8 22.4 24.1 26.8 2 3 A T - 0 0 100 1,-0.2 0, 0.0 2,-0.2 0, 0.0 -0.741 360.0 -36.9 169.8-114.4 19.3 26.1 28.1 3 4 A E S S+ 0 0 166 -2,-0.2 -1,-0.2 2,-0.1 0, 0.0 0.802 99.9 74.5-103.3 -81.0 16.2 24.8 29.8 4 5 A I S S- 0 0 14 -3,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.124 81.9-108.5 -38.5 146.1 14.8 21.5 28.6 5 6 A P - 0 0 65 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.240 40.5 -87.4 -73.6 167.8 16.6 18.3 29.6 6 7 A S > - 0 0 23 1,-0.2 4,-1.6 2,-0.0 30,-0.2 -0.685 29.0-150.8 -81.8 124.4 18.7 16.2 27.2 7 8 A L T 4 S+ 0 0 0 -2,-0.5 322,-0.4 1,-0.2 4,-0.3 0.944 96.7 45.7 -59.3 -50.8 16.5 13.6 25.4 8 9 A S T >4 S+ 0 0 10 28,-0.9 3,-1.9 1,-0.2 -1,-0.2 0.899 108.3 56.3 -61.3 -42.3 19.4 11.1 25.0 9 10 A A G >4 S+ 0 0 50 26,-0.4 3,-1.4 1,-0.3 -1,-0.2 0.870 99.9 61.1 -58.4 -34.3 20.6 11.5 28.6 10 11 A S G 3< S+ 0 0 5 -4,-1.6 321,-2.7 -3,-0.3 -1,-0.3 0.605 112.2 37.6 -69.7 -9.9 17.1 10.6 29.8 11 12 A Y G X> S+ 0 0 0 -3,-1.9 3,-2.7 -4,-0.3 4,-1.9 0.163 77.0 123.3-124.2 15.9 17.5 7.2 28.1 12 13 A A T <4 S+ 0 0 62 -3,-1.4 -2,-0.1 1,-0.3 -3,-0.1 0.682 82.6 39.6 -52.1 -24.1 21.2 6.6 28.9 13 14 A N T 34 S+ 0 0 124 -4,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.166 121.8 41.8-113.4 18.5 20.4 3.3 30.6 14 15 A S T <4 S- 0 0 17 -3,-2.7 2,-0.3 1,-0.3 -2,-0.2 0.662 117.9 -37.1-125.9 -57.6 17.8 2.1 28.1 15 16 A F < - 0 0 11 -4,-1.9 -1,-0.3 -7,-0.2 271,-0.3 -0.962 62.6 -84.5-170.3 157.0 18.8 2.8 24.5 16 17 A K E -a 286 0A 78 269,-2.0 271,-2.6 -2,-0.3 2,-0.5 -0.278 31.6-144.4 -67.1 155.6 20.5 5.3 22.3 17 18 A I E +a 287 0A 0 269,-0.2 21,-1.7 271,-0.0 22,-0.8 -0.976 30.2 174.0-123.9 112.6 18.6 8.3 21.0 18 19 A G E -ab 288 39A 0 269,-2.5 271,-2.6 -2,-0.5 2,-0.3 -0.624 21.1-153.9-118.4 176.7 19.6 9.3 17.5 19 20 A A E -ab 289 40A 0 20,-1.2 22,-1.9 269,-0.2 2,-0.4 -0.993 25.4-115.7-148.6 146.2 18.8 11.5 14.6 20 21 A A E - b 0 41A 0 269,-1.5 2,-0.3 -2,-0.3 22,-0.2 -0.680 45.6-175.1 -79.8 133.7 19.4 11.5 10.8 21 22 A V E - b 0 42A 0 20,-2.9 22,-2.6 -2,-0.4 23,-0.5 -0.846 25.4-154.4-132.3 168.3 21.7 14.3 9.9 22 23 A H >> - 0 0 43 -2,-0.3 3,-2.5 20,-0.2 4,-0.6 -0.976 35.8-113.6-136.6 144.9 23.2 16.1 6.9 23 24 A T H >> S+ 0 0 28 -2,-0.3 3,-1.1 1,-0.3 4,-0.7 0.814 112.7 68.8 -50.2 -33.5 26.5 18.1 7.0 24 25 A R H 34 S+ 0 0 124 1,-0.3 -1,-0.3 2,-0.1 5,-0.1 0.745 98.0 52.4 -59.4 -22.7 24.6 21.3 6.3 25 26 A M H X> S+ 0 0 11 -3,-2.5 4,-3.7 1,-0.1 3,-1.1 0.693 91.9 76.6 -86.1 -21.6 23.0 21.0 9.8 26 27 A L H S+ 0 0 157 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.948 112.8 45.7 -63.7 -49.6 24.9 22.3 19.5 32 33 A F H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.916 113.8 50.0 -58.9 -46.5 21.3 21.1 19.6 33 34 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.923 109.5 48.5 -60.5 -48.2 22.2 17.8 18.1 34 35 A A H < S+ 0 0 39 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.779 112.2 53.6 -64.8 -25.6 25.1 17.0 20.5 35 36 A K H < S+ 0 0 45 -4,-1.4 -26,-0.4 -5,-0.2 -2,-0.2 0.951 120.3 25.5 -73.7 -50.5 22.7 18.0 23.3 36 37 A H H < S+ 0 0 2 -4,-2.3 -28,-0.9 -30,-0.2 2,-0.4 0.621 115.0 58.0 -94.6 -13.2 19.8 15.7 22.5 37 38 A Y < + 0 0 3 -4,-2.4 -19,-0.2 -5,-0.2 -1,-0.1 -0.965 38.7 180.0-127.7 133.6 21.3 12.8 20.6 38 39 A N S S+ 0 0 42 -21,-1.7 38,-2.3 -2,-0.4 2,-0.3 0.072 81.6 47.6-109.4 21.4 24.0 10.2 21.4 39 40 A S E -bc 18 76A 0 -22,-0.8 -20,-1.2 36,-0.2 2,-0.3 -0.966 64.4-175.4-157.1 141.9 23.6 8.6 18.0 40 41 A V E -bc 19 77A 0 36,-1.7 38,-2.2 -2,-0.3 2,-0.4 -0.978 9.2-160.0-140.9 156.0 23.4 9.9 14.4 41 42 A T E -bc 20 78A 0 -22,-1.9 -20,-2.9 -2,-0.3 2,-0.6 -0.996 31.1-114.4-134.7 137.6 22.8 8.5 11.0 42 43 A A E -b 21 0A 0 36,-0.7 4,-0.3 -2,-0.4 -20,-0.2 -0.623 24.1-151.7 -70.5 116.8 23.8 10.1 7.7 43 44 A E S S- 0 0 5 -22,-2.6 -1,-0.2 -2,-0.6 -21,-0.1 0.884 82.9 -22.1 -58.5 -36.5 20.3 10.7 6.2 44 45 A N S > S+ 0 0 41 -23,-0.5 3,-1.7 -3,-0.1 6,-0.3 0.507 115.7 89.9-145.7 -23.4 21.8 10.4 2.7 45 46 A Q T 3 S+ 0 0 14 -24,-0.3 18,-0.4 1,-0.3 -2,-0.1 0.357 90.5 49.2 -71.6 7.5 25.6 11.1 2.6 46 47 A M T 3 S+ 0 0 3 -4,-0.3 -1,-0.3 16,-0.1 5,-0.1 0.333 84.6 115.4-121.0 1.5 26.6 7.5 3.2 47 48 A K S X> S- 0 0 11 -3,-1.7 4,-2.0 1,-0.1 3,-0.6 -0.305 82.0-102.0 -71.1 157.7 24.5 6.0 0.5 48 49 A F H 3> S+ 0 0 4 33,-0.3 4,-2.0 1,-0.3 3,-0.3 0.883 120.9 44.9 -44.7 -55.9 26.1 4.3 -2.5 49 50 A E H 34 S+ 0 0 66 38,-2.3 -1,-0.3 1,-0.2 39,-0.1 0.804 112.9 53.3 -62.7 -31.2 25.6 7.1 -4.9 50 51 A E H <4 S+ 0 0 80 -3,-0.6 -1,-0.2 37,-0.3 -2,-0.2 0.825 122.1 25.9 -75.7 -33.0 26.7 9.7 -2.4 51 52 A V H < S+ 0 0 1 -4,-2.0 8,-1.2 -3,-0.3 -2,-0.2 0.512 132.8 33.6-108.0 -6.1 30.1 8.0 -1.5 52 53 A H < + 0 0 4 -4,-2.0 -1,-0.2 -5,-0.3 6,-0.2 -0.417 63.1 155.1-148.4 61.8 30.7 6.1 -4.8 53 54 A P S S+ 0 0 35 0, 0.0 2,-0.3 0, 0.0 38,-0.2 0.759 72.8 28.5 -62.0 -30.9 29.3 8.1 -7.7 54 55 A R B > S-J 57 0B 118 3,-1.1 3,-1.7 1,-0.1 0, 0.0 -0.957 89.9-108.6-133.4 151.3 31.7 6.6 -10.3 55 56 A E T 3 S+ 0 0 68 -2,-0.3 -1,-0.1 1,-0.3 3,-0.0 0.844 115.6 29.9 -47.9 -46.8 33.3 3.2 -10.3 56 57 A H T 3 S+ 0 0 171 1,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.226 111.1 76.5-102.4 17.1 36.9 4.3 -9.6 57 58 A E B < -J 54 0B 91 -3,-1.7 -3,-1.1 2,-0.0 2,-0.4 -0.971 53.7-168.4-136.6 125.6 36.1 7.3 -7.5 58 59 A Y - 0 0 66 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.869 5.4-163.5-108.4 141.1 34.9 7.7 -3.9 59 60 A T + 0 0 57 -8,-1.2 4,-0.3 -2,-0.4 3,-0.3 -0.757 24.2 155.9-126.1 83.5 33.7 10.9 -2.4 60 61 A F > + 0 0 13 -2,-0.4 4,-3.2 1,-0.2 5,-0.3 0.349 36.8 110.0 -90.3 3.8 33.7 10.6 1.4 61 62 A E H > S+ 0 0 150 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.911 82.7 39.5 -44.8 -61.0 33.9 14.3 2.3 62 63 A A H > S+ 0 0 21 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.915 118.2 47.9 -58.8 -46.9 30.4 14.7 3.8 63 64 A A H > S+ 0 0 0 -18,-0.4 4,-2.4 -4,-0.3 -1,-0.2 0.889 109.7 53.9 -62.9 -39.8 30.4 11.3 5.5 64 65 A D H X S+ 0 0 43 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.889 107.4 51.0 -62.1 -39.2 33.8 12.0 7.0 65 66 A E H X S+ 0 0 85 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.908 109.6 49.5 -64.8 -43.9 32.6 15.3 8.5 66 67 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.930 112.5 47.8 -61.2 -45.7 29.6 13.6 10.1 67 68 A V H X S+ 0 0 3 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.912 110.8 50.1 -63.5 -43.3 31.8 10.9 11.6 68 69 A D H X S+ 0 0 119 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.913 110.9 52.0 -59.9 -41.8 34.4 13.4 12.9 69 70 A F H < S+ 0 0 14 -4,-2.3 4,-0.4 -5,-0.2 -2,-0.2 0.949 116.6 37.7 -58.1 -52.3 31.5 15.4 14.5 70 71 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.9 1,-0.2 3,-1.6 0.961 115.3 48.4 -66.8 -57.1 30.1 12.4 16.2 71 72 A V H ><5S+ 0 0 67 -4,-2.7 3,-1.0 1,-0.3 -1,-0.2 0.828 108.0 55.7 -57.9 -34.7 33.2 10.5 17.4 72 73 A A T 3<5S+ 0 0 85 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.685 113.3 43.4 -72.0 -16.2 34.8 13.6 18.8 73 74 A R T < 5S- 0 0 125 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.288 117.9-106.5-111.4 9.7 31.7 14.1 21.0 74 75 A G T < 5S+ 0 0 69 -3,-1.0 2,-0.5 -4,-0.3 -3,-0.2 0.734 72.7 145.5 72.6 20.9 31.1 10.5 22.1 75 76 A I < - 0 0 9 -5,-2.9 -1,-0.3 -6,-0.2 -36,-0.2 -0.808 44.9-130.0 -96.2 128.8 28.2 10.2 19.7 76 77 A G E -c 39 0A 18 -38,-2.3 -36,-1.7 -2,-0.5 2,-0.4 -0.226 16.3-143.1 -72.1 165.5 27.6 6.8 18.0 77 78 A V E -c 40 0A 0 47,-0.4 50,-0.9 -38,-0.2 49,-0.9 -0.989 6.2-157.6-137.2 127.2 27.1 6.4 14.3 78 79 A R E -cd 41 127A 0 -38,-2.2 -36,-0.7 -2,-0.4 2,-0.5 -0.858 22.6-133.1 -99.4 136.4 24.9 4.0 12.4 79 80 A G E - d 0 128A 0 48,-3.4 50,-2.7 -2,-0.4 2,-0.7 -0.781 22.6-132.6 -88.5 130.1 26.0 3.3 8.8 80 81 A H - 0 0 3 -2,-0.5 50,-0.1 1,-0.2 48,-0.1 -0.758 51.1 -44.6-100.5 116.4 23.0 3.6 6.4 81 82 A T - 0 0 4 -2,-0.7 -33,-0.3 50,-0.1 49,-0.2 0.874 37.7-172.4 37.0 123.6 22.4 0.9 3.8 82 83 A L S S+ 0 0 3 47,-1.0 2,-0.6 48,-0.7 49,-0.2 0.757 83.8 39.8 -99.5 -41.0 25.1 -0.6 1.6 83 84 A V B S+e 131 0A 2 47,-2.0 49,-2.6 46,-0.3 2,-0.3 -0.933 74.5 135.8-119.4 111.2 22.7 -2.6 -0.6 84 85 A W - 0 0 26 -2,-0.6 49,-0.1 47,-0.2 50,-0.1 -0.988 55.1-128.2-151.6 146.7 19.5 -0.9 -1.6 85 86 A H S S+ 0 0 52 47,-0.5 3,-0.3 -2,-0.3 2,-0.2 0.666 92.7 65.8 -72.9 -15.1 17.5 -0.6 -4.9 86 87 A N S S+ 0 0 77 1,-0.2 -2,-0.2 -3,-0.0 0, 0.0 -0.679 100.6 17.3-105.5 161.5 17.3 3.1 -4.5 87 88 A Q S S+ 0 0 52 -2,-0.2 -38,-2.3 1,-0.2 -37,-0.3 0.769 86.3 129.0 49.8 34.5 20.1 5.7 -4.6 88 89 A T - 0 0 19 -3,-0.3 -1,-0.2 -40,-0.2 5,-0.1 -0.978 62.0-115.4-118.3 118.8 22.5 3.3 -6.2 89 90 A P > - 0 0 20 0, 0.0 3,-0.9 0, 0.0 4,-0.5 -0.092 16.4-120.9 -54.5 147.6 24.3 4.7 -9.4 90 91 A A G > S+ 0 0 56 1,-0.2 3,-1.4 2,-0.2 4,-0.4 0.829 105.8 69.1 -58.3 -37.3 23.7 3.1 -12.8 91 92 A W G > S+ 0 0 40 1,-0.3 3,-1.3 -38,-0.2 -1,-0.2 0.847 90.3 64.2 -53.1 -36.0 27.4 2.2 -13.3 92 93 A M G < S+ 0 0 0 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.835 109.4 37.3 -56.9 -36.4 27.1 -0.4 -10.6 93 94 A F G < S+ 0 0 14 -3,-1.4 8,-1.9 -4,-0.5 2,-0.3 0.288 107.9 80.6-101.4 9.7 24.6 -2.4 -12.6 94 95 A E B < -K 100 0C 80 -3,-1.3 6,-0.3 -4,-0.4 2,-0.2 -0.803 60.5-144.5-120.4 159.4 26.1 -1.9 -16.1 95 96 A D > - 0 0 51 4,-2.4 3,-2.0 -2,-0.3 6,-0.1 -0.484 49.8 -81.0-104.0-178.0 28.9 -3.3 -18.2 96 97 A A T 3 S+ 0 0 116 1,-0.3 5,-0.0 -2,-0.2 4,-0.0 0.758 128.7 52.3 -57.2 -30.7 31.0 -1.3 -20.7 97 98 A S T 3 S- 0 0 104 3,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.343 121.6-102.9 -89.4 7.1 28.4 -1.4 -23.5 98 99 A G S < S+ 0 0 42 -3,-2.0 -2,-0.1 1,-0.3 3,-0.1 0.493 86.2 123.5 85.5 1.6 25.6 -0.1 -21.2 99 100 A G S S- 0 0 27 1,-0.2 -4,-2.4 -5,-0.1 -1,-0.3 -0.189 73.4 -64.1 -83.5-176.3 24.2 -3.5 -20.8 100 101 A T B -K 94 0C 97 -6,-0.3 -6,-0.3 -3,-0.1 -1,-0.2 -0.400 51.8-114.4 -72.6 146.2 23.7 -5.4 -17.5 101 102 A A - 0 0 2 -8,-1.9 -6,-0.1 -6,-0.1 -1,-0.1 -0.483 34.3-114.8 -75.3 150.7 26.7 -6.3 -15.4 102 103 A S > - 0 0 45 -2,-0.1 4,-2.5 -8,-0.1 5,-0.2 -0.267 27.7-102.2 -79.5 171.7 27.3 -10.0 -15.0 103 104 A R H > S+ 0 0 90 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.873 123.2 51.8 -62.5 -38.2 27.1 -11.9 -11.7 104 105 A E H > S+ 0 0 127 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.933 110.2 47.3 -64.8 -47.1 30.9 -11.9 -11.3 105 106 A M H > S+ 0 0 56 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.931 111.8 51.5 -59.4 -46.3 31.1 -8.1 -11.9 106 107 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 45,-0.2 -1,-0.2 0.927 111.8 47.3 -55.8 -48.1 28.3 -7.5 -9.4 107 108 A L H X S+ 0 0 36 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.920 114.5 43.6 -62.4 -47.8 30.1 -9.6 -6.8 108 109 A S H X S+ 0 0 58 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.897 115.9 49.0 -67.4 -38.9 33.5 -8.1 -7.2 109 110 A R H X S+ 0 0 18 -4,-2.8 4,-2.5 -5,-0.3 -2,-0.2 0.918 111.8 48.4 -65.1 -43.6 32.1 -4.5 -7.3 110 111 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.3 5,-0.2 0.901 111.1 52.0 -63.2 -40.2 30.0 -5.2 -4.2 111 112 A K H X S+ 0 0 62 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.914 112.1 44.2 -61.9 -46.5 33.0 -6.6 -2.4 112 113 A Q H X S+ 0 0 106 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.892 113.6 51.1 -67.5 -39.9 35.2 -3.6 -3.2 113 114 A H H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.966 114.5 41.9 -61.7 -53.4 32.4 -1.1 -2.3 114 115 A I H X>S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-1.0 0.924 114.6 51.6 -60.3 -45.5 31.7 -2.8 1.1 115 116 A D H X5S+ 0 0 61 -4,-2.6 4,-0.7 -5,-0.2 5,-0.2 0.895 115.4 42.6 -58.9 -41.1 35.5 -3.2 1.8 116 117 A T H X5S+ 0 0 49 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.953 123.6 34.7 -71.4 -50.1 36.0 0.5 1.0 117 118 A V H X5S+ 0 0 2 -4,-3.1 4,-1.1 -5,-0.2 -3,-0.2 0.966 125.9 36.6 -71.1 -56.4 33.0 1.9 2.9 118 119 A V H <5S+ 0 0 0 -4,-2.4 3,-0.4 -5,-0.3 -3,-0.2 0.923 119.0 50.7 -64.8 -43.2 32.7 -0.5 5.8 119 120 A G H ><X S+ 0 0 5 -4,-1.1 3,-3.0 -3,-0.4 4,-1.1 0.066 85.7 161.6-104.7 22.4 35.0 3.4 9.4 122 123 A K T <4 S+ 0 0 104 -3,-1.8 46,-0.1 1,-0.3 -3,-0.1 -0.145 73.2 6.6 -45.1 129.5 36.1 0.1 10.9 123 124 A D T 34 S+ 0 0 107 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.321 118.7 80.2 76.2 -8.2 35.6 0.1 14.7 124 125 A Q T <4 S+ 0 0 87 -3,-3.0 2,-0.6 1,-0.1 -47,-0.4 0.702 78.5 64.7-101.6 -23.8 33.8 3.5 14.5 125 126 A I < - 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