==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-MAR-03 1HKI . COMPND 2 MOLECULE: CHITOTRIOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.V.RAO,D.R.HOUSTON,R.G.BOOT,J.M.F.G.AERTS,S.SAKUDA, . 365 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14933.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 7.9 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 . 1 0.3 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 . 25 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 26.8 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 0 0 2 2 0 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 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 0 PARALLEL BRIDGES PER LADDER . 1 2 1 2 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 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 98 0, 0.0 2,-0.3 0, 0.0 332,-0.2 0.000 360.0 360.0 360.0 161.4 20.0 66.5 19.7 2 23 A K E -a 333 0A 65 330,-2.6 332,-2.3 29,-0.1 2,-0.5 -0.660 360.0-168.6 -89.6 137.5 16.7 66.4 17.9 3 24 A L E -a 334 0A 6 -2,-0.3 29,-2.2 330,-0.2 28,-2.0 -0.951 15.2-167.7-125.0 104.5 15.4 63.5 15.9 4 25 A V E -ab 335 32A 0 330,-3.1 332,-2.9 -2,-0.5 2,-0.4 -0.867 5.1-173.7-101.2 117.9 12.3 64.8 14.0 5 26 A a E -ab 336 33A 0 27,-3.3 29,-3.3 -2,-0.6 2,-0.4 -0.932 13.2-142.5-118.1 135.6 10.1 62.2 12.4 6 27 A Y E - b 0 34A 3 330,-2.1 333,-2.4 -2,-0.4 332,-0.4 -0.761 6.8-161.3 -97.5 135.7 7.1 62.6 10.1 7 28 A F E - b 0 35A 1 27,-3.5 29,-2.3 -2,-0.4 2,-0.4 -0.808 12.4-150.1-104.9 147.9 4.0 60.5 10.1 8 29 A T E > - b 0 36A 1 -2,-0.3 3,-0.5 27,-0.2 29,-0.2 -0.971 10.4-145.3-121.7 141.1 1.8 60.6 7.0 9 30 A N T 3 S+ 0 0 5 27,-2.2 28,-0.1 -2,-0.4 46,-0.0 0.281 95.2 59.5 -91.2 15.9 -1.9 60.1 7.1 10 31 A W T > S+ 0 0 98 26,-0.2 3,-1.7 2,-0.1 -1,-0.2 0.486 81.2 82.0-111.5 -12.6 -2.2 58.3 3.8 11 32 A A G X S+ 0 0 0 -3,-0.5 9,-2.1 1,-0.3 3,-1.2 0.670 78.3 73.6 -65.6 -16.6 0.2 55.5 4.7 12 33 A Q G 3 S+ 0 0 2 7,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.757 88.8 59.5 -70.0 -22.5 -2.9 54.0 6.4 13 34 A Y G < S+ 0 0 102 -3,-1.7 -1,-0.2 6,-0.1 -2,-0.2 0.424 80.0 111.7 -88.2 3.9 -4.2 53.1 2.9 14 35 A R < - 0 0 29 -3,-1.2 2,-0.1 4,-0.2 5,-0.1 -0.471 69.7-112.8 -77.1 145.2 -1.3 50.9 2.0 15 36 A Q > - 0 0 130 258,-0.3 3,-1.6 -2,-0.2 -1,-0.1 -0.414 64.6 -19.6 -82.9 157.0 -1.9 47.2 1.6 16 37 A G G > S- 0 0 52 1,-0.2 3,-2.6 2,-0.2 -2,-0.0 -0.078 127.6 -3.2 54.6-146.3 -0.6 44.4 3.7 17 38 A E G 3 S+ 0 0 120 1,-0.3 -1,-0.2 330,-0.1 328,-0.1 0.504 128.2 66.4 -57.1 -4.0 2.4 44.8 5.9 18 39 A A G < + 0 0 0 -3,-1.6 -1,-0.3 2,-0.1 -4,-0.2 0.583 68.1 113.8 -94.9 -14.1 2.8 48.4 4.6 19 40 A R < - 0 0 118 -3,-2.6 2,-0.5 -6,-0.1 -7,-0.3 -0.418 52.9-163.3 -60.9 126.6 -0.4 49.7 6.1 20 41 A F + 0 0 0 -9,-2.1 -6,-0.1 -2,-0.2 320,-0.1 -0.963 19.0 159.6-123.6 130.1 0.7 52.2 8.7 21 42 A L > - 0 0 22 -2,-0.5 3,-3.2 -10,-0.1 4,-0.3 -0.887 58.2 -86.9-135.8 163.9 -1.3 53.7 11.6 22 43 A P G > S+ 0 0 2 0, 0.0 3,-2.7 0, 0.0 33,-0.0 0.802 121.6 68.4 -43.0 -38.4 -0.4 55.4 14.9 23 44 A K G 3 S+ 0 0 154 1,-0.3 -3,-0.0 3,-0.0 0, 0.0 0.733 91.2 62.8 -58.0 -19.6 -0.1 52.0 16.6 24 45 A D G < S+ 0 0 33 -3,-3.2 -1,-0.3 2,-0.1 2,-0.1 0.597 84.5 104.8 -81.9 -8.7 2.9 51.4 14.5 25 46 A L < - 0 0 9 -3,-2.7 3,-0.1 -4,-0.3 -18,-0.0 -0.417 66.3-140.3 -75.6 143.6 4.7 54.3 16.1 26 47 A D >> - 0 0 29 1,-0.1 3,-0.7 -2,-0.1 4,-0.5 -0.931 9.0-152.5-101.4 120.0 7.5 53.8 18.7 27 48 A P T 34 S+ 0 0 31 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.882 93.8 43.2 -59.6 -39.7 7.0 56.5 21.4 28 49 A S T 34 S+ 0 0 53 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.526 91.4 88.0 -85.1 -8.0 10.8 56.6 22.3 29 50 A L T <4 S+ 0 0 3 -3,-0.7 2,-0.2 2,-0.0 -1,-0.2 0.922 94.1 19.9 -58.4 -53.5 12.2 56.5 18.7 30 51 A a < - 0 0 5 -4,-0.5 -26,-0.2 -3,-0.2 3,-0.1 -0.683 63.5-134.3-116.4 170.3 12.3 60.3 17.9 31 52 A T S S+ 0 0 50 -28,-2.0 39,-2.5 1,-0.3 2,-0.4 0.749 96.8 29.9 -91.3 -31.1 12.2 63.5 20.0 32 53 A H E -bc 4 70A 17 -29,-2.2 -27,-3.3 37,-0.2 2,-0.5 -0.994 66.2-161.9-136.5 128.5 9.6 65.1 17.8 33 54 A L E -bc 5 71A 3 37,-2.3 39,-2.3 -2,-0.4 2,-0.5 -0.948 11.9-158.2-111.9 121.8 6.8 63.5 15.8 34 55 A I E -bc 6 72A 0 -29,-3.3 -27,-3.5 -2,-0.5 2,-0.7 -0.893 8.7-141.3-107.8 129.0 5.3 65.6 13.0 35 56 A Y E -bc 7 73A 0 37,-3.4 39,-3.0 -2,-0.5 2,-0.5 -0.758 23.1-133.4 -90.0 110.4 1.8 64.8 11.7 36 57 A A E +b 8 0A 0 -29,-2.3 -27,-2.2 -2,-0.7 -26,-0.2 -0.934 62.6 17.2-111.0 127.8 1.5 65.3 7.9 37 58 A F E + 0 0 26 37,-0.5 2,-0.3 -2,-0.5 11,-0.3 0.646 44.1 156.5-137.3 165.5 -0.8 66.8 6.7 38 59 A A E - c 0 75A 1 36,-2.0 38,-1.9 -3,-0.2 9,-0.2 -0.860 27.6-158.8-115.3 151.2 -3.5 69.2 7.7 39 60 A G E -I 46 0B 6 7,-2.9 7,-2.5 -2,-0.3 2,-0.3 -0.289 16.2 -97.7-114.3-159.1 -5.1 71.5 5.1 40 61 A M E -I 45 0B 9 5,-0.2 2,-0.2 -2,-0.1 5,-0.2 -0.942 23.1-178.6-128.6 148.0 -7.0 74.8 5.0 41 62 A T S S- 0 0 78 3,-1.7 4,-0.0 -2,-0.3 -2,-0.0 -0.747 82.0 -16.9-148.7 94.3 -10.8 75.6 4.8 42 63 A N S S- 0 0 125 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.963 129.4 -49.6 72.7 51.9 -11.7 79.2 4.7 43 64 A H S S+ 0 0 58 1,-0.2 2,-0.3 41,-0.0 -1,-0.2 0.670 118.4 112.8 62.0 18.2 -8.3 80.4 5.9 44 65 A Q S S- 0 0 92 57,-0.1 -3,-1.7 56,-0.1 2,-0.3 -0.820 75.5 -98.3-121.4 162.4 -8.4 78.0 8.8 45 66 A L E +I 40 0B 7 53,-0.3 2,-0.3 -2,-0.3 -5,-0.2 -0.560 52.4 170.7 -76.0 134.8 -6.6 74.8 9.9 46 67 A S E -I 39 0B 19 -7,-2.5 -7,-2.9 -2,-0.3 2,-0.0 -0.983 32.4-101.5-149.3 159.9 -8.4 71.6 8.9 47 68 A T - 0 0 48 -2,-0.3 -9,-0.1 -9,-0.2 3,-0.1 -0.277 15.2-163.0 -76.4 162.7 -8.2 67.8 8.7 48 69 A T + 0 0 63 -11,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.435 69.0 57.0-124.3 -5.3 -7.6 65.8 5.5 49 70 A E S > S- 0 0 52 1,-0.1 3,-3.0 0, 0.0 4,-0.4 -0.990 81.8-119.3-135.2 139.5 -8.8 62.3 6.4 50 71 A W T 3 S+ 0 0 201 -2,-0.4 3,-0.1 1,-0.3 4,-0.1 0.663 117.1 38.1 -43.1 -19.8 -12.1 61.0 7.8 51 72 A N T 3> S+ 0 0 8 1,-0.1 4,-2.7 2,-0.1 3,-0.4 0.167 75.8 114.9-123.4 21.1 -10.1 59.8 10.8 52 73 A D H <> S+ 0 0 1 -3,-3.0 4,-3.4 1,-0.2 5,-0.2 0.905 79.9 52.0 -59.0 -41.8 -7.6 62.6 11.5 53 74 A E H > S+ 0 0 84 -4,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.822 112.5 44.3 -66.9 -29.5 -9.2 63.5 14.8 54 75 A T H > S+ 0 0 86 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.894 115.5 48.7 -76.1 -42.8 -9.1 59.9 16.0 55 76 A L H X S+ 0 0 4 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.901 105.7 58.9 -60.4 -43.7 -5.5 59.5 14.8 56 77 A Y H X S+ 0 0 0 -4,-3.4 4,-3.0 -5,-0.2 5,-0.4 0.902 103.5 52.1 -51.4 -46.1 -4.7 62.8 16.5 57 78 A Q H X S+ 0 0 101 -4,-1.1 4,-1.4 1,-0.2 -1,-0.2 0.882 113.3 42.3 -62.5 -39.7 -5.7 61.3 19.8 58 79 A E H X S+ 0 0 86 -4,-1.5 4,-0.5 2,-0.2 -1,-0.2 0.889 115.3 52.0 -73.4 -38.4 -3.5 58.2 19.4 59 80 A F H >< S+ 0 0 0 -4,-3.1 3,-1.4 1,-0.2 4,-0.2 0.990 119.4 32.6 -59.3 -62.9 -0.7 60.3 18.0 60 81 A N H >< S+ 0 0 9 -4,-3.0 3,-1.5 1,-0.3 -1,-0.2 0.740 107.4 71.6 -70.3 -20.2 -0.6 62.8 20.9 61 82 A G H >X S+ 0 0 15 -4,-1.4 3,-1.2 -5,-0.4 4,-0.6 0.650 81.9 75.1 -69.7 -13.1 -1.7 60.1 23.4 62 83 A L H < - 0 0 38 -4,-1.8 3,-1.5 1,-0.1 -1,-0.3 -0.745 68.6-179.9-133.3 88.0 6.8 59.3 26.8 67 88 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.627 81.3 58.9 -60.8 -16.2 6.3 62.7 28.5 68 89 A K T 3 S+ 0 0 188 2,-0.1 -5,-0.1 -4,-0.1 -4,-0.1 0.670 81.8 107.5 -89.2 -15.9 9.4 64.2 26.9 69 90 A L < - 0 0 2 -3,-1.5 2,-0.4 -6,-0.1 -37,-0.2 -0.320 57.7-151.0 -64.7 138.2 8.1 63.6 23.4 70 91 A K E -c 32 0A 47 -39,-2.5 -37,-2.3 -2,-0.1 2,-0.4 -0.936 8.2-160.1-115.1 135.3 7.0 66.6 21.4 71 92 A T E -c 33 0A 0 -2,-0.4 41,-2.5 -39,-0.2 42,-0.6 -0.910 8.5-178.5-118.4 142.7 4.4 66.6 18.6 72 93 A L E -cd 34 113A 0 -39,-2.3 -37,-3.4 -2,-0.4 2,-0.5 -0.944 21.1-138.3-133.6 155.6 3.6 69.0 15.8 73 94 A L E -cd 35 114A 0 40,-2.0 42,-2.5 -2,-0.3 2,-0.4 -0.960 21.9-147.8-112.0 126.7 1.0 69.1 13.0 74 95 A A E - d 0 115A 0 -39,-3.0 -36,-2.0 -2,-0.5 -37,-0.5 -0.796 6.0-150.2 -97.4 138.7 2.3 70.2 9.6 75 96 A I E -cd 38 116A 0 40,-2.6 42,-2.5 -2,-0.4 2,-0.6 -0.931 58.6 -2.1-111.8 129.0 0.2 72.2 7.2 76 97 A G E - d 0 117A 7 -38,-1.9 42,-0.2 -2,-0.5 3,-0.2 -0.874 60.7-175.8 115.1-118.1 0.6 71.9 3.4 77 98 A G >> - 0 0 0 40,-3.5 3,-1.7 -2,-0.6 4,-0.6 -0.223 52.3 -52.8 100.1 172.4 3.1 69.9 1.6 78 99 A W G >4 S+ 0 0 135 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.888 133.8 43.9 -49.5 -51.5 4.1 69.3 -2.0 79 100 A N G 34 S+ 0 0 150 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 -0.044 92.8 87.1 -89.3 33.0 0.6 68.5 -3.3 80 101 A F G <4 S- 0 0 45 -3,-1.7 2,-0.2 1,-0.2 4,-0.2 0.829 80.2-144.2 -97.1 -37.5 -1.0 71.3 -1.4 81 102 A G << - 0 0 36 -4,-0.6 38,-0.3 -3,-0.6 -1,-0.2 -0.629 15.1-106.4 102.4-167.2 -0.6 74.1 -3.9 82 103 A T S >> S+ 0 0 13 -2,-0.2 4,-3.2 42,-0.1 3,-0.8 0.503 92.8 88.8-135.0 -22.7 0.0 77.8 -3.0 83 104 A Q H 3> S+ 0 0 133 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.934 91.8 46.8 -42.3 -68.1 -3.3 79.5 -3.7 84 105 A K H 3> S+ 0 0 99 1,-0.2 4,-1.7 -4,-0.2 -1,-0.3 0.724 117.7 44.6 -48.3 -30.6 -4.7 79.0 -0.2 85 106 A F H <> S+ 0 0 1 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.930 113.3 46.7 -79.9 -52.8 -1.4 80.1 1.3 86 107 A T H < S+ 0 0 26 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.835 119.2 46.0 -55.9 -35.3 -0.8 83.2 -0.9 87 108 A D H >X S+ 0 0 62 -4,-3.1 3,-1.1 -5,-0.4 4,-0.5 0.889 108.4 52.1 -77.9 -42.6 -4.5 84.0 -0.2 88 109 A M H 3< S+ 0 0 0 -4,-1.7 3,-0.3 -5,-0.3 10,-0.2 0.799 112.8 45.9 -66.8 -26.6 -4.5 83.4 3.6 89 110 A V T 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.381 90.5 86.5 -97.9 4.2 -1.5 85.7 4.2 90 111 A A T <4 S+ 0 0 33 -3,-1.1 2,-0.4 1,-0.1 -1,-0.2 0.874 92.7 36.2 -72.3 -38.4 -2.9 88.4 1.9 91 112 A T S >X S- 0 0 65 -4,-0.5 4,-2.5 -3,-0.3 3,-0.5 -0.949 72.8-131.0-123.8 140.7 -4.9 90.2 4.6 92 113 A A H 3> S+ 0 0 58 -2,-0.4 4,-3.2 1,-0.3 5,-0.2 0.817 110.9 60.8 -49.8 -32.7 -4.3 90.7 8.4 93 114 A N H 3> S+ 0 0 102 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.950 107.8 40.3 -61.6 -52.5 -7.9 89.4 8.8 94 115 A N H <> S+ 0 0 20 -3,-0.5 4,-3.3 2,-0.2 5,-0.2 0.933 117.4 48.0 -63.5 -48.9 -7.1 86.0 7.2 95 116 A R H X S+ 0 0 42 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.971 113.8 48.0 -54.4 -53.8 -3.7 85.8 9.0 96 117 A Q H X S+ 0 0 121 -4,-3.2 4,-1.3 -5,-0.3 -1,-0.2 0.787 114.8 47.0 -56.9 -30.7 -5.4 86.7 12.2 97 118 A T H X S+ 0 0 48 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.858 112.6 47.7 -80.3 -38.3 -8.1 84.1 11.5 98 119 A F H X S+ 0 0 0 -4,-3.3 4,-3.2 -10,-0.2 -53,-0.3 0.961 111.5 51.5 -64.3 -53.2 -5.6 81.4 10.6 99 120 A V H X S+ 0 0 7 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.885 110.0 48.5 -49.6 -47.6 -3.5 82.1 13.7 100 121 A N H X S+ 0 0 102 -4,-1.3 4,-1.8 -5,-0.2 -1,-0.2 0.844 113.2 46.7 -67.7 -33.4 -6.5 81.9 16.0 101 122 A S H X S+ 0 0 16 -4,-1.6 4,-3.2 -3,-0.3 5,-0.2 0.888 109.2 56.7 -74.8 -36.6 -7.7 78.6 14.5 102 123 A A H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 5,-0.3 0.949 110.5 43.1 -55.9 -50.9 -4.1 77.3 14.7 103 124 A I H X S+ 0 0 25 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.867 117.9 44.0 -64.3 -40.7 -4.0 77.9 18.5 104 125 A R H X S+ 0 0 181 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.888 116.8 49.1 -71.8 -37.5 -7.5 76.5 19.1 105 126 A F H X S+ 0 0 29 -4,-3.2 4,-1.7 2,-0.2 -2,-0.2 0.928 111.6 44.4 -67.3 -50.1 -6.7 73.6 16.8 106 127 A L H X>S+ 0 0 0 -4,-3.0 5,-3.0 -5,-0.2 4,-0.7 0.946 116.8 46.5 -63.4 -47.2 -3.4 72.5 18.2 107 128 A R H ><5S+ 0 0 39 -4,-1.5 3,-0.8 -5,-0.3 -1,-0.2 0.898 109.1 54.4 -62.5 -42.7 -4.5 72.8 21.8 108 129 A K H 3<5S+ 0 0 119 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.866 118.4 34.5 -59.9 -38.5 -7.8 71.0 21.2 109 130 A Y H 3<5S- 0 0 15 -4,-1.7 -49,-0.2 -5,-0.1 -1,-0.2 0.373 115.1-111.1-101.3 6.8 -6.0 68.0 19.7 110 131 A S T <<5 + 0 0 66 -3,-0.8 2,-0.4 -4,-0.7 -3,-0.2 0.855 58.7 155.6 66.2 43.4 -2.9 68.2 22.0 111 132 A F < - 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0 0 0 0, 0.0 16,-3.0 0, 0.0 94,-0.1 -0.570 22.9-150.8 -76.5 129.9 23.9 62.7 -2.2 207 228 A L S S+ 0 0 1 92,-1.8 16,-2.2 -2,-0.3 17,-0.4 0.913 82.2 4.7 -63.5 -44.0 26.0 64.1 0.7 208 229 A Y S S- 0 0 77 14,-0.1 14,-0.2 15,-0.1 2,-0.1 -0.691 87.1 -97.8-128.9-180.0 28.5 65.6 -1.7 209 230 A K - 0 0 82 -2,-0.2 2,-0.4 89,-0.1 9,-0.1 -0.447 33.7-107.6 -98.7 173.7 28.8 66.0 -5.5 210 231 A R > - 0 0 30 -2,-0.1 3,-3.0 1,-0.1 -1,-0.0 -0.808 30.8-113.9-100.8 146.4 30.7 63.9 -8.0 211 232 A Q T 3 S+ 0 0 158 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.876 115.2 70.7 -42.1 -43.3 33.8 65.3 -9.6 212 233 A E T 3 S+ 0 0 124 -3,-0.0 2,-0.3 2,-0.0 -1,-0.3 0.458 90.6 84.7 -56.1 -0.4 31.9 65.3 -12.8 213 234 A Q < + 0 0 22 -3,-3.0 2,-0.3 5,-0.1 -4,-0.1 -0.848 46.0 144.0-116.4 148.2 29.8 68.1 -11.4 214 235 A S > + 0 0 93 -2,-0.3 3,-0.7 -5,-0.0 2,-0.4 -0.969 49.3 21.8-166.9 159.3 30.2 71.9 -11.3 215 236 A G T 3 S- 0 0 62 -2,-0.3 4,-0.3 1,-0.3 3,-0.2 -0.651 126.5 -10.8 81.6-129.9 28.1 75.0 -11.4 216 237 A A T >> S+ 0 0 83 -2,-0.4 3,-2.6 1,-0.2 4,-0.6 0.931 135.7 58.8 -71.5 -47.1 24.5 74.6 -10.6 217 238 A A T <4 S+ 0 0 39 -3,-0.7 3,-0.3 1,-0.3 -1,-0.2 0.708 94.1 72.8 -54.9 -17.9 24.6 70.8 -10.7 218 239 A A T 34 S+ 0 0 20 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.763 90.4 55.0 -68.9 -27.5 27.2 71.3 -8.0 219 240 A S T <4 S+ 0 0 58 -3,-2.6 2,-4.4 -4,-0.3 6,-0.4 0.751 75.0 104.4 -78.7 -24.7 24.5 72.3 -5.4 220 241 A L < + 0 0 50 -4,-0.6 2,-0.3 -3,-0.3 -1,-0.2 -0.108 69.7 75.6 -57.0 53.1 22.5 69.1 -5.9 221 242 A N S > S- 0 0 6 -2,-4.4 4,-2.3 1,-0.1 -14,-0.2 -0.987 87.7-103.4-160.0 160.7 23.7 67.6 -2.6 222 243 A V H > S+ 0 0 1 -16,-3.0 4,-2.9 -2,-0.3 5,-0.2 0.952 115.2 48.5 -51.7 -66.6 23.2 67.8 1.2 223 244 A D H > S+ 0 0 38 -16,-2.2 4,-2.8 1,-0.3 5,-0.4 0.886 111.6 53.0 -43.0 -46.9 26.4 69.7 2.2 224 245 A A H > S+ 0 0 24 -17,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.968 111.0 45.9 -54.9 -51.8 25.6 72.2 -0.6 225 246 A A H X S+ 0 0 3 -4,-2.3 4,-0.6 -6,-0.4 -2,-0.2 0.866 113.6 50.6 -57.8 -39.7 22.1 72.7 0.9 226 247 A V H >X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 3,-1.0 0.926 110.0 45.3 -67.5 -47.9 23.5 72.9 4.4 227 248 A Q H 3X S+ 0 0 58 -4,-2.8 4,-2.8 1,-0.3 5,-0.3 0.896 109.8 59.6 -62.2 -36.7 26.1 75.6 3.8 228 249 A Q H 3< S+ 0 0 20 -4,-2.2 4,-0.4 -5,-0.4 -1,-0.3 0.726 109.3 42.3 -64.1 -22.6 23.5 77.4 1.8 229 250 A W H <<>S+ 0 0 1 -3,-1.0 5,-1.9 -4,-0.6 -1,-0.2 0.808 115.9 45.8 -94.4 -32.8 21.3 77.6 4.9 230 251 A L H ><5S+ 0 0 39 -4,-2.2 3,-2.8 3,-0.2 4,-0.2 0.969 107.7 57.3 -70.4 -54.3 24.0 78.5 7.4 231 252 A Q T 3<5S+ 0 0 160 -4,-2.8 -1,-0.2 1,-0.3 -3,-0.1 0.781 104.9 54.0 -47.2 -34.4 25.5 81.1 5.2 232 253 A K T 3 5S- 0 0 64 -4,-0.4 -55,-1.0 -5,-0.3 -1,-0.3 0.456 133.6 -76.3 -86.4 1.1 22.2 82.9 5.0 233 254 A G T < 5S+ 0 0 22 -3,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.424 80.0 139.2 126.6 -5.3 21.6 83.2 8.8 234 255 A T < - 0 0 6 -5,-1.9 2,-0.3 -4,-0.2 -1,-0.3 -0.611 50.3-131.0 -80.1 121.5 20.5 79.9 10.1 235 256 A P >> - 0 0 61 0, 0.0 3,-3.2 0, 0.0 4,-0.8 -0.543 21.0-124.5 -69.3 126.7 22.1 79.0 13.5 236 257 A A T 34 S+ 0 0 32 -2,-0.3 96,-2.3 1,-0.3 3,-0.4 0.742 108.0 61.2 -44.4 -31.1 23.5 75.5 13.3 237 258 A S T 34 S+ 0 0 83 94,-0.3 -1,-0.3 1,-0.2 94,-0.1 0.649 106.4 45.9 -74.6 -14.7 21.5 74.3 16.3 238 259 A K T <4 S+ 0 0 49 -3,-3.2 -52,-4.1 -53,-0.1 2,-0.5 0.538 92.2 91.0-103.1 -11.7 18.2 75.2 14.6 239 260 A L E < -g 186 0A 0 -4,-0.8 93,-0.9 -3,-0.4 94,-0.7 -0.748 61.3-161.9 -88.2 129.4 19.0 73.5 11.3 240 261 A I E -gh 187 333A 0 -54,-2.6 -52,-1.9 -2,-0.5 2,-0.8 -0.960 17.6-128.8-117.5 123.7 17.9 69.9 11.1 241 262 A L E -gh 188 334A 1 92,-2.5 94,-2.7 -2,-0.5 2,-0.2 -0.594 25.0-149.2 -74.5 107.9 19.3 67.6 8.5 242 263 A G E - h 0 335A 1 -54,-1.6 -52,-0.3 -2,-0.8 94,-0.2 -0.553 15.3-169.6 -79.2 141.0 16.4 65.9 6.8 243 264 A M E - h 0 336A 1 92,-2.7 94,-2.5 -2,-0.2 2,-0.4 -0.966 15.1-128.3-135.5 145.5 16.9 62.4 5.5 244 265 A P E - 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