==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-APR-02 1LG1 . COMPND 2 MOLECULE: CHITOTRIOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.FUSETTI,H.J.ROZEBOOM,B.W.DIJKSTRA . 365 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15097.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 29 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 0 1 1 0 2 0 1 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 3 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 PARALLEL BRIDGES PER LADDER . 1 1 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 1 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 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 22 A A 0 0 97 0, 0.0 2,-0.4 0, 0.0 332,-0.2 0.000 360.0 360.0 360.0 167.3 74.3 27.2 23.6 2 23 A K E -a 333 0A 65 330,-2.2 332,-2.4 29,-0.0 2,-0.5 -0.786 360.0-168.0-101.5 140.2 74.4 30.6 25.3 3 24 A L E -a 334 0A 7 -2,-0.4 29,-2.3 330,-0.2 28,-1.8 -0.906 13.5-172.4-126.2 97.9 77.3 32.1 27.2 4 25 A V E -ab 335 32A 0 330,-2.6 332,-3.5 -2,-0.5 2,-0.4 -0.828 4.6-175.2 -95.4 122.6 76.1 35.1 29.1 5 26 A a E -ab 336 33A 0 27,-2.9 29,-2.9 -2,-0.6 2,-0.3 -0.967 16.6-135.4-125.8 135.7 78.8 37.1 30.8 6 27 A Y E - b 0 34A 4 330,-2.5 333,-3.0 -2,-0.4 2,-0.4 -0.677 11.3-164.9 -91.7 139.1 78.5 40.1 33.1 7 28 A F E - b 0 35A 3 27,-3.4 29,-3.5 -2,-0.3 2,-0.4 -0.929 16.4-148.2-114.8 140.1 80.6 43.3 32.9 8 29 A T E - b 0 36A 1 -2,-0.4 3,-0.5 27,-0.2 4,-0.3 -0.905 15.2-143.0-120.7 146.3 80.6 45.6 35.9 9 30 A N S > S+ 0 0 2 27,-2.9 3,-1.9 -2,-0.4 28,-0.1 0.962 98.0 53.3 -59.2 -62.9 81.0 49.4 36.2 10 31 A W G > S+ 0 0 102 1,-0.3 3,-1.8 26,-0.2 4,-0.2 0.568 85.6 84.5 -57.2 -11.5 83.0 49.6 39.4 11 32 A A G > S+ 0 0 0 -3,-0.5 3,-1.9 1,-0.3 9,-1.4 0.824 76.0 72.3 -63.2 -27.4 85.7 47.3 38.0 12 33 A Q G < S+ 0 0 7 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.700 93.1 56.5 -60.7 -16.9 87.3 50.3 36.4 13 34 A Y G < S+ 0 0 117 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.495 73.1 120.0 -96.0 -4.3 88.4 51.5 39.8 14 35 A R < - 0 0 25 -3,-1.9 5,-0.1 -4,-0.2 260,-0.1 -0.345 63.7-124.5 -58.8 140.9 90.4 48.4 40.9 15 36 A Q > + 0 0 53 258,-0.4 3,-0.8 257,-0.2 4,-0.5 -0.098 67.7 6.3 -79.3-177.3 94.0 49.4 41.5 16 37 A G G > S- 0 0 63 1,-0.2 3,-0.9 2,-0.2 257,-0.0 -0.022 129.7 -24.9 44.1-140.7 97.1 48.0 39.9 17 38 A E G 3 S+ 0 0 129 1,-0.2 -1,-0.2 330,-0.1 -3,-0.1 0.703 121.9 83.2 -75.4 -21.7 96.5 45.5 37.1 18 39 A A G < + 0 0 0 -3,-0.8 -4,-0.2 -5,-0.1 -1,-0.2 0.609 62.9 123.4 -59.9 -10.3 93.1 44.5 38.4 19 40 A R < - 0 0 138 -3,-0.9 2,-0.4 -4,-0.5 -7,-0.2 -0.294 46.3-163.4 -56.6 131.3 91.7 47.5 36.6 20 41 A F + 0 0 0 -9,-1.4 -6,-0.1 -11,-0.1 -2,-0.1 -0.973 18.3 157.1-126.5 132.4 89.0 46.5 34.1 21 42 A L > - 0 0 23 -2,-0.4 3,-2.5 -10,-0.1 4,-0.2 -0.896 57.7 -94.1-140.7 167.2 87.5 48.4 31.2 22 43 A P G > S+ 0 0 2 0, 0.0 3,-3.3 0, 0.0 -1,-0.0 0.868 120.7 69.9 -52.0 -36.8 85.7 47.5 27.9 23 44 A K G 3 S+ 0 0 151 1,-0.3 -3,-0.0 3,-0.0 0, 0.0 0.770 97.2 53.2 -51.8 -26.2 89.1 47.6 26.2 24 45 A D G < S+ 0 0 34 -3,-2.5 2,-0.4 2,-0.1 -1,-0.3 0.414 86.9 106.0 -91.5 1.2 89.8 44.5 28.2 25 46 A L < - 0 0 9 -3,-3.3 -18,-0.0 -4,-0.2 3,-0.0 -0.671 67.5-137.4 -84.4 131.2 86.7 42.7 27.0 26 47 A D >> - 0 0 37 -2,-0.4 3,-1.0 1,-0.1 4,-0.5 -0.800 10.5-151.5 -87.6 115.3 87.2 39.9 24.5 27 48 A P T 34 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 42,-0.1 0.649 92.5 42.0 -62.1 -14.7 84.4 40.4 21.9 28 49 A S T 34 S+ 0 0 53 1,-0.1 -2,-0.0 41,-0.1 -3,-0.0 0.496 88.6 87.3-110.2 -5.4 84.3 36.7 21.1 29 50 A L T <4 S+ 0 0 2 -3,-1.0 2,-0.3 2,-0.0 -1,-0.1 0.836 96.5 27.0 -64.5 -35.1 84.6 35.1 24.5 30 51 A a < - 0 0 4 -4,-0.5 -26,-0.2 1,-0.1 3,-0.1 -0.824 66.0-136.3-126.1 164.8 80.8 35.1 25.2 31 52 A T S S+ 0 0 56 -28,-1.8 39,-1.5 1,-0.3 2,-0.4 0.778 95.9 28.7 -89.6 -28.2 77.7 35.1 23.2 32 53 A H E -bc 4 70A 24 -29,-2.3 -27,-2.9 37,-0.2 2,-0.5 -0.987 67.9-158.5-137.6 125.0 76.0 37.8 25.3 33 54 A L E -bc 5 71A 2 37,-2.4 39,-2.1 -2,-0.4 2,-0.5 -0.876 11.3-161.9-102.0 131.0 77.6 40.6 27.2 34 55 A I E -bc 6 72A 0 -29,-2.9 -27,-3.4 -2,-0.5 2,-0.5 -0.965 10.8-138.9-119.5 129.1 75.6 42.2 30.0 35 56 A Y E -bc 7 73A 0 37,-2.6 39,-2.4 -2,-0.5 2,-0.5 -0.729 21.9-129.4 -88.9 118.7 76.4 45.6 31.6 36 57 A A E +b 8 0A 0 -29,-3.5 -27,-2.9 -2,-0.5 -26,-0.2 -0.951 65.7 10.3-114.3 122.7 76.1 45.9 35.4 37 58 A F E + 0 0 24 -2,-0.5 2,-0.4 37,-0.5 38,-0.2 0.671 42.7 164.1-138.0 176.9 74.6 48.2 36.4 38 59 A A E - c 0 75A 1 36,-1.6 38,-1.5 -3,-0.1 9,-0.2 -0.968 27.9-151.1-125.7 141.4 72.1 50.9 35.5 39 60 A G E -I 46 0B 5 7,-2.0 7,-1.7 -2,-0.4 2,-0.4 -0.065 11.9-112.1 -97.5-160.4 70.1 52.8 38.0 40 61 A M E +I 45 0B 5 5,-0.2 2,-0.3 -2,-0.0 5,-0.2 -0.997 24.0 176.9-139.4 138.2 66.7 54.5 38.2 41 62 A T S S- 0 0 79 3,-2.1 3,-0.0 -2,-0.4 6,-0.0 -0.878 80.2 -9.5-145.3 106.8 66.0 58.3 38.7 42 63 A N S S- 0 0 120 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.950 128.7 -55.7 68.0 51.1 62.3 59.4 38.6 43 64 A H S S+ 0 0 57 1,-0.2 2,-0.4 41,-0.1 58,-0.2 0.750 116.1 118.6 53.8 25.8 61.1 56.0 37.3 44 65 A Q S S- 0 0 90 57,-0.1 -3,-2.1 56,-0.1 2,-0.3 -0.959 74.3-109.4-126.9 142.9 63.5 56.3 34.4 45 66 A L E +I 40 0B 8 -2,-0.4 2,-0.3 53,-0.3 -5,-0.2 -0.507 52.2 166.1 -66.7 126.6 66.5 54.2 33.4 46 67 A S E -I 39 0B 27 -7,-1.7 -7,-2.0 -2,-0.3 55,-0.0 -0.993 36.2 -95.8-146.5 153.1 69.6 56.3 34.1 47 68 A T - 0 0 51 -2,-0.3 -8,-0.2 -9,-0.2 -1,-0.1 0.151 18.7-161.7 -56.7 179.4 73.4 55.9 34.3 48 69 A T + 0 0 64 1,-0.2 2,-0.3 -11,-0.2 -1,-0.1 0.299 67.2 63.5-145.4 -2.3 75.3 55.3 37.6 49 70 A E S > S- 0 0 52 1,-0.1 3,-1.8 -40,-0.0 4,-0.3 -0.965 80.2-121.4-130.3 148.7 78.9 56.2 36.7 50 71 A W T 3 S+ 0 0 205 -2,-0.3 3,-0.2 1,-0.3 -1,-0.1 0.768 114.8 35.0 -57.8 -26.5 80.4 59.5 35.6 51 72 A N T 3> S+ 0 0 18 1,-0.1 4,-1.9 2,-0.1 -1,-0.3 -0.013 77.9 118.1-120.1 31.7 81.7 57.9 32.4 52 73 A D H <> S+ 0 0 1 -3,-1.8 4,-4.0 1,-0.2 5,-0.3 0.916 74.4 56.6 -62.8 -43.7 78.9 55.5 31.6 53 74 A E H > S+ 0 0 111 -4,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.907 109.9 44.3 -56.7 -43.4 78.0 57.2 28.3 54 75 A T H > S+ 0 0 84 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.879 116.3 48.2 -68.6 -35.6 81.6 56.7 27.1 55 76 A L H X S+ 0 0 4 -4,-1.9 4,-3.2 2,-0.2 5,-0.2 0.921 105.4 56.4 -69.7 -44.5 81.6 53.1 28.4 56 77 A Y H X S+ 0 0 0 -4,-4.0 4,-1.9 1,-0.2 -1,-0.2 0.877 107.3 52.5 -52.9 -37.4 78.3 52.3 26.8 57 78 A Q H X S+ 0 0 144 -4,-1.4 4,-0.6 -5,-0.3 -1,-0.2 0.913 114.0 40.7 -65.6 -45.7 79.9 53.4 23.5 58 79 A E H >X S+ 0 0 83 -4,-1.6 4,-1.1 2,-0.2 3,-0.9 0.966 112.8 52.9 -68.4 -53.5 82.9 51.1 24.0 59 80 A F H >< S+ 0 0 0 -4,-3.2 3,-1.3 1,-0.3 4,-0.3 0.940 115.8 39.9 -45.3 -60.7 80.9 48.1 25.3 60 81 A N H >< S+ 0 0 12 -4,-1.9 3,-0.6 1,-0.3 -1,-0.3 0.614 103.3 72.1 -68.3 -12.5 78.5 48.1 22.4 61 82 A G H X< S+ 0 0 32 -3,-0.9 3,-2.7 -4,-0.6 4,-0.5 0.794 78.1 75.5 -74.0 -26.9 81.3 48.9 20.0 62 83 A L G XX S+ 0 0 12 -3,-1.3 3,-2.7 -4,-1.1 4,-1.0 0.870 79.0 75.7 -51.1 -36.0 82.7 45.4 20.4 63 84 A K G <4 S+ 0 0 38 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.640 83.7 64.7 -51.8 -16.1 79.8 44.3 18.1 64 85 A K G <4 S+ 0 0 192 -3,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.812 104.8 44.8 -78.0 -27.8 81.7 45.8 15.2 65 86 A M T <4 S+ 0 0 131 -3,-2.7 -2,-0.2 -4,-0.5 -1,-0.2 0.638 132.7 19.3 -87.2 -16.3 84.4 43.1 15.7 66 87 A N >< - 0 0 35 -4,-1.0 3,-1.5 3,-0.1 -1,-0.3 -0.669 63.1-174.3-155.8 91.3 81.7 40.4 16.2 67 88 A P T 3 S+ 0 0 102 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.683 84.2 66.6 -60.8 -20.3 78.2 41.2 14.8 68 89 A K T 3 S+ 0 0 169 2,-0.1 -5,-0.1 -5,-0.0 -40,-0.0 0.749 81.2 104.5 -74.2 -22.6 76.9 37.9 16.3 69 90 A L < - 0 0 2 -3,-1.5 2,-0.4 -6,-0.1 -37,-0.2 -0.202 57.6-155.1 -61.1 145.4 77.5 39.4 19.8 70 91 A K E -c 32 0A 40 -39,-1.5 -37,-2.4 2,-0.0 2,-0.4 -0.991 5.3-163.7-128.3 129.8 74.5 40.6 21.8 71 92 A T E -c 33 0A 0 -2,-0.4 41,-2.6 -39,-0.2 42,-0.7 -0.874 5.0-173.4-113.3 144.9 74.6 43.2 24.6 72 93 A L E -cd 34 113A 0 -39,-2.1 -37,-2.6 -2,-0.4 2,-0.5 -0.957 21.0-129.4-133.8 151.3 72.1 43.9 27.3 73 94 A L E -cd 35 114A 0 40,-2.4 42,-3.1 -2,-0.3 2,-0.4 -0.879 22.0-147.8-102.2 130.8 71.8 46.6 30.0 74 95 A A E - d 0 115A 0 -39,-2.4 -36,-1.6 -2,-0.5 2,-0.5 -0.820 6.9-159.5-100.9 136.9 71.1 45.4 33.5 75 96 A I E +cd 38 116A 0 40,-2.3 42,-2.0 -2,-0.4 2,-0.5 -0.964 56.9 4.5-116.9 127.2 69.1 47.4 36.0 76 97 A G E + d 0 117A 6 -38,-1.5 2,-0.2 -2,-0.5 42,-0.2 -0.923 55.9 179.8 119.9-125.3 69.4 46.9 39.7 77 98 A G E - d 0 118A 1 40,-2.0 42,-0.5 -2,-0.5 4,-0.3 -0.704 55.5 -57.1 112.9-165.5 71.7 44.6 41.7 78 99 A W S > S+ 0 0 138 -2,-0.2 3,-1.1 1,-0.1 -1,-0.2 0.910 133.5 46.1 -82.0 -46.5 72.1 43.9 45.4 79 100 A N T 3 S+ 0 0 154 1,-0.2 -1,-0.1 -3,-0.2 -2,-0.1 0.640 95.4 77.4 -72.1 -15.1 72.9 47.5 46.5 80 101 A F T 3 S- 0 0 39 1,-0.2 4,-0.3 -4,-0.1 -1,-0.2 0.794 82.8-167.6 -65.7 -26.3 70.0 48.8 44.4 81 102 A G < - 0 0 30 -3,-1.1 38,-0.5 -4,-0.3 -1,-0.2 -0.389 32.2 -83.8 73.9-150.8 67.6 47.6 47.1 82 103 A T S >> S+ 0 0 14 42,-0.2 4,-2.9 36,-0.1 3,-0.6 0.564 99.7 89.0-131.6 -18.8 63.9 47.5 46.5 83 104 A Q H 3> S+ 0 0 131 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.946 92.7 43.0 -45.1 -74.2 62.5 51.0 47.2 84 105 A K H 3> S+ 0 0 112 -4,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.696 117.9 50.3 -48.4 -25.0 62.9 52.5 43.7 85 106 A F H <> S+ 0 0 0 -3,-0.6 4,-1.9 2,-0.2 5,-0.2 0.966 108.3 46.7 -79.1 -60.1 61.6 49.3 42.2 86 107 A T H X S+ 0 0 21 -4,-2.9 4,-0.8 1,-0.2 -2,-0.2 0.807 114.1 51.8 -52.9 -33.3 58.4 48.8 44.2 87 108 A D H >X S+ 0 0 73 -4,-2.2 3,-1.8 -5,-0.3 4,-0.7 0.995 107.3 50.4 -65.7 -62.3 57.6 52.5 43.6 88 109 A M H 3< S+ 0 0 0 -4,-1.4 -2,-0.2 1,-0.3 10,-0.2 0.737 114.7 44.3 -47.0 -32.7 58.0 52.3 39.8 89 110 A V H 3< S+ 0 0 0 -4,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.601 93.2 80.0 -94.3 -9.4 55.7 49.2 39.5 90 111 A A H << S+ 0 0 42 -3,-1.8 2,-0.4 -4,-0.8 -2,-0.2 0.936 97.6 37.5 -60.8 -49.1 53.0 50.4 41.9 91 112 A T S >X S- 0 0 70 -4,-0.7 4,-2.4 1,-0.1 3,-1.0 -0.891 72.7-137.8-112.1 135.8 51.2 52.6 39.3 92 113 A A H 3> S+ 0 0 55 -2,-0.4 4,-2.3 1,-0.3 5,-0.1 0.733 104.0 59.7 -59.1 -23.6 50.8 51.9 35.6 93 114 A N H 3> S+ 0 0 123 2,-0.2 4,-0.5 1,-0.2 -1,-0.3 0.823 111.0 38.4 -77.8 -29.0 51.7 55.5 34.8 94 115 A N H <> S+ 0 0 42 -3,-1.0 4,-1.6 2,-0.2 -2,-0.2 0.784 115.4 55.0 -85.5 -32.5 55.1 55.3 36.4 95 116 A R H X S+ 0 0 32 -4,-2.4 4,-2.5 1,-0.2 3,-0.3 0.946 107.8 48.6 -63.4 -49.6 55.6 51.8 35.0 96 117 A Q H X S+ 0 0 88 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.781 105.2 59.6 -62.7 -27.2 54.9 53.0 31.5 97 118 A T H X S+ 0 0 49 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.921 109.2 44.0 -66.2 -41.9 57.4 55.8 32.1 98 119 A F H X S+ 0 0 0 -4,-1.6 4,-3.4 -3,-0.3 -53,-0.3 0.977 109.3 54.1 -64.3 -59.0 60.0 53.2 32.7 99 120 A V H X S+ 0 0 3 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.833 114.4 44.1 -44.3 -40.1 59.0 50.9 29.8 100 121 A N H X S+ 0 0 99 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.900 111.6 49.1 -76.5 -42.6 59.5 54.0 27.6 101 122 A S H X S+ 0 0 15 -4,-2.3 4,-3.4 -58,-0.2 5,-0.3 0.887 111.0 54.9 -64.0 -35.2 62.7 55.3 29.0 102 123 A A H X S+ 0 0 0 -4,-3.4 4,-3.1 1,-0.2 5,-0.4 0.983 107.2 47.6 -57.4 -60.6 64.0 51.7 28.7 103 124 A I H X S+ 0 0 30 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.823 118.9 41.3 -50.4 -38.6 63.1 51.6 25.0 104 125 A R H X S+ 0 0 177 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.907 114.0 49.7 -79.0 -43.7 64.8 55.0 24.4 105 126 A F H X S+ 0 0 27 -4,-3.4 4,-1.5 -5,-0.2 -2,-0.2 0.943 115.4 44.8 -58.8 -49.0 67.8 54.5 26.6 106 127 A L H X>S+ 0 0 0 -4,-3.1 5,-2.3 -5,-0.3 4,-1.1 0.917 113.4 48.4 -63.9 -46.1 68.6 51.1 25.0 107 128 A R H <5S+ 0 0 51 -4,-1.5 -1,-0.2 -5,-0.4 -2,-0.2 0.810 108.9 56.7 -66.0 -27.2 68.0 52.3 21.4 108 129 A K H <5S+ 0 0 123 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.821 117.0 29.5 -74.4 -36.0 70.3 55.4 22.1 109 130 A Y H <5S- 0 0 26 -4,-1.5 -1,-0.2 -3,-0.2 -49,-0.2 0.447 115.6-106.7-105.0 0.4 73.4 53.5 23.2 110 131 A S T <5 + 0 0 69 -4,-1.1 2,-0.4 1,-0.2 -3,-0.2 0.934 56.4 162.4 77.1 53.0 72.8 50.4 21.1 111 132 A F < - 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