==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-MAR-03 1HKK . COMPND 2 MOLECULE: CHITOTRIOSIDASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.V.RAO,D.R.HOUSTON,R.G.BOOT,J.M.F.G.AERTS,S.SAKUDA, . 364 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14875.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 23 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 25.8 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 1 0 0 3 0 2 1 0 0 1 0 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 0 3 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 . 1 0 0 0 1 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,-0.3 0, 0.0 332,-0.3 0.000 360.0 360.0 360.0 149.3 20.6 67.5 18.0 2 23 A K E -a 333 0A 62 330,-2.6 332,-2.2 29,-0.1 2,-0.4 -0.728 360.0-164.0-100.9 149.6 17.2 67.3 16.5 3 24 A L E -a 334 0A 6 -2,-0.3 28,-2.1 330,-0.2 29,-2.0 -0.906 15.2-166.9-132.5 99.6 15.8 64.4 14.4 4 25 A V E -ab 335 32A 0 330,-2.8 332,-2.9 -2,-0.4 2,-0.4 -0.834 6.7-172.9 -94.8 117.4 12.7 65.8 12.7 5 26 A a E -ab 336 33A 0 27,-2.9 29,-2.8 -2,-0.6 2,-0.4 -0.932 13.8-140.7-118.9 132.7 10.5 63.1 11.1 6 27 A Y E - b 0 34A 3 330,-2.3 333,-3.0 -2,-0.4 332,-0.5 -0.756 8.9-164.4 -96.1 135.6 7.5 63.5 8.8 7 28 A F E - b 0 35A 0 27,-3.0 29,-2.9 -2,-0.4 2,-0.4 -0.830 13.9-148.2-105.3 145.1 4.3 61.3 9.0 8 29 A T E > - b 0 36A 0 -2,-0.3 3,-1.0 27,-0.2 4,-0.3 -0.976 9.1-146.8-122.7 135.5 2.0 61.6 6.0 9 30 A N T 3 S+ 0 0 3 27,-2.7 28,-0.1 -2,-0.4 -1,-0.1 0.325 95.2 59.2 -83.6 11.0 -1.8 61.1 6.4 10 31 A W T > S+ 0 0 91 26,-0.2 3,-1.6 1,-0.1 -1,-0.2 0.458 81.9 81.9-110.8 -6.9 -2.3 59.5 3.0 11 32 A A G X S+ 0 0 0 -3,-1.0 3,-1.7 1,-0.3 9,-1.5 0.746 75.6 75.4 -68.5 -21.2 0.1 56.6 3.7 12 33 A Q G 3 S+ 0 0 6 1,-0.3 -1,-0.3 7,-0.3 7,-0.1 0.587 90.4 58.8 -65.7 -8.7 -2.8 54.9 5.5 13 34 A Y G < S+ 0 0 103 -3,-1.6 -1,-0.3 7,-0.1 -2,-0.2 0.432 78.1 111.0-103.1 2.5 -4.2 54.2 2.0 14 35 A R S < S- 0 0 34 -3,-1.7 5,-0.2 4,-0.2 260,-0.1 -0.428 72.9-101.0 -75.5 154.2 -1.4 52.1 0.6 15 36 A Q S > S- 0 0 138 258,-0.3 3,-1.7 257,-0.2 4,-0.2 -0.324 70.0 -23.5 -77.1 153.7 -1.9 48.4 0.1 16 37 A G G > S- 0 0 56 1,-0.2 3,-1.5 2,-0.2 -2,-0.0 -0.097 126.9 -7.1 51.8-136.4 -0.8 45.5 2.2 17 38 A E G 3 S+ 0 0 123 1,-0.3 -1,-0.2 3,-0.0 330,-0.1 0.582 124.8 72.5 -70.3 -8.0 2.2 46.0 4.6 18 39 A A G < + 0 0 4 -3,-1.7 -1,-0.3 2,-0.1 -4,-0.2 0.658 69.5 112.9 -79.4 -17.0 2.9 49.4 3.1 19 40 A R < - 0 0 132 -3,-1.5 2,-0.5 -4,-0.2 -7,-0.3 -0.359 53.6-162.4 -56.8 130.2 -0.2 50.8 4.9 20 41 A F + 0 0 0 -9,-1.5 -6,-0.1 -2,-0.1 -7,-0.1 -0.967 18.6 161.1-128.6 124.4 0.9 53.3 7.5 21 42 A L > - 0 0 23 -2,-0.5 3,-2.6 -10,-0.1 4,-0.2 -0.747 58.3 -88.2-126.5 171.4 -1.1 54.6 10.5 22 43 A P G > S+ 0 0 2 0, 0.0 3,-2.0 0, 0.0 33,-0.0 0.824 122.7 68.7 -54.8 -29.1 0.0 56.2 13.8 23 44 A K G 3 S+ 0 0 170 1,-0.3 -3,-0.0 3,-0.0 36,-0.0 0.651 91.9 61.4 -65.0 -11.1 0.4 52.8 15.3 24 45 A D G < S+ 0 0 34 -3,-2.6 -1,-0.3 2,-0.1 2,-0.3 0.448 85.3 103.2 -90.3 -4.5 3.4 52.2 13.0 25 46 A L < - 0 0 8 -3,-2.0 3,-0.0 -4,-0.2 -18,-0.0 -0.598 65.0-145.1 -82.7 140.0 5.2 55.1 14.6 26 47 A D >> - 0 0 30 -2,-0.3 3,-1.2 1,-0.1 4,-0.5 -0.937 9.2-157.5-104.5 109.3 8.0 54.6 17.1 27 48 A P T 34 S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 42,-0.0 0.634 90.2 51.0 -60.0 -20.5 7.7 57.5 19.6 28 49 A S T 34 S+ 0 0 48 1,-0.1 -3,-0.0 41,-0.0 -2,-0.0 0.566 90.2 80.5 -95.7 -13.3 11.4 57.2 20.7 29 50 A L T <4 S+ 0 0 3 -3,-1.2 2,-0.2 2,-0.0 -1,-0.1 0.903 97.2 26.3 -61.6 -46.5 12.8 57.3 17.2 30 51 A a < - 0 0 7 -4,-0.5 -26,-0.2 1,-0.1 3,-0.1 -0.658 62.4-137.5-116.6 168.9 12.8 61.0 16.5 31 52 A T S S+ 0 0 53 -28,-2.1 39,-2.0 1,-0.3 2,-0.4 0.747 96.1 28.4 -94.8 -28.9 12.8 64.2 18.6 32 53 A H E -bc 4 70A 19 -29,-2.0 -27,-2.9 37,-0.2 2,-0.5 -0.999 67.2-162.4-134.8 130.4 10.1 66.0 16.6 33 54 A L E -bc 5 71A 1 37,-2.6 39,-2.5 -2,-0.4 2,-0.5 -0.962 10.2-161.3-114.8 128.3 7.3 64.3 14.6 34 55 A I E -bc 6 72A 0 -29,-2.8 -27,-3.0 -2,-0.5 2,-0.7 -0.952 10.2-141.3-117.6 127.9 5.6 66.4 12.0 35 56 A Y E -bc 7 73A 0 37,-2.8 39,-3.1 -2,-0.5 2,-0.5 -0.755 24.0-129.2 -88.6 112.4 2.1 65.6 10.6 36 57 A A E +bc 8 74A 0 -29,-2.9 -27,-2.7 -2,-0.7 -26,-0.2 -0.927 64.8 14.0-107.9 130.7 1.7 66.2 6.9 37 58 A F E + 0 0 27 37,-0.5 2,-0.2 -2,-0.5 38,-0.2 0.619 42.2 160.0-138.2 154.5 -0.6 67.8 5.9 38 59 A A E - c 0 75A 1 36,-2.7 38,-1.6 -3,-0.2 9,-0.2 -0.659 30.3-153.4 -97.5 163.2 -3.4 70.1 7.1 39 60 A G E -I 46 0B 5 7,-2.7 7,-2.0 -2,-0.2 2,-0.4 -0.365 12.3-107.4-119.1-157.3 -5.0 72.4 4.5 40 61 A M E +I 45 0B 7 5,-0.2 2,-0.4 -2,-0.1 5,-0.2 -1.000 26.4 175.7-143.4 138.5 -6.8 75.7 4.7 41 62 A T E > S-I 44 0B 71 3,-2.4 3,-2.0 -2,-0.4 -2,-0.0 -0.983 77.5 -7.5-143.1 130.5 -10.5 76.7 4.3 42 63 A N T 3 S- 0 0 120 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.891 130.2 -56.4 46.5 46.0 -11.8 80.3 4.8 43 64 A H T 3 S+ 0 0 50 1,-0.2 2,-0.4 41,-0.1 -1,-0.3 0.643 116.7 113.7 64.2 18.6 -8.3 81.3 5.9 44 65 A Q E < S-I 41 0B 91 -3,-2.0 -3,-2.4 57,-0.1 -1,-0.2 -0.935 75.9-102.3-124.7 146.0 -8.3 78.7 8.7 45 66 A L E +I 40 0B 9 -2,-0.4 2,-0.3 53,-0.3 -5,-0.2 -0.349 51.2 176.6 -59.4 134.7 -6.3 75.6 9.4 46 67 A S E -I 39 0B 23 -7,-2.0 -7,-2.7 -2,-0.0 2,-0.1 -0.948 30.3-101.2-141.7 165.8 -8.4 72.5 8.4 47 68 A T - 0 0 61 -2,-0.3 -9,-0.1 -9,-0.2 3,-0.1 -0.304 18.5-164.7 -78.4 166.1 -8.2 68.7 8.2 48 69 A T + 0 0 67 -11,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.509 67.1 56.0-127.7 -16.6 -7.7 66.9 4.9 49 70 A E S > S- 0 0 55 1,-0.1 3,-1.8 0, 0.0 4,-0.3 -0.918 81.8-117.8-121.7 151.5 -8.7 63.3 5.6 50 71 A W T 3 S+ 0 0 204 -2,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.801 114.6 38.0 -53.0 -36.1 -11.9 61.8 7.0 51 72 A N T >> S+ 0 0 15 1,-0.2 4,-2.8 2,-0.1 3,-0.8 0.259 77.2 116.1-104.4 15.5 -10.2 60.5 10.1 52 73 A D H <> S+ 0 0 1 -3,-1.8 4,-3.3 1,-0.3 5,-0.2 0.847 74.1 57.4 -52.3 -38.8 -7.7 63.3 10.8 53 74 A E H 3> S+ 0 0 95 -4,-0.3 4,-1.3 -3,-0.3 -1,-0.3 0.894 112.7 40.4 -62.4 -36.9 -9.3 64.1 14.2 54 75 A T H <> S+ 0 0 73 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.914 116.0 50.0 -75.0 -43.5 -8.7 60.5 15.4 55 76 A L H X S+ 0 0 3 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.892 107.7 54.9 -62.5 -39.1 -5.3 60.3 13.8 56 77 A Y H X S+ 0 0 0 -4,-3.3 4,-2.8 -5,-0.3 5,-0.3 0.914 109.8 46.6 -59.1 -44.0 -4.3 63.6 15.4 57 78 A Q H X S+ 0 0 131 -4,-1.3 4,-1.5 -5,-0.2 -2,-0.2 0.882 115.3 45.4 -67.1 -37.2 -5.3 62.2 18.8 58 79 A E H < S+ 0 0 87 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.917 115.0 48.6 -68.7 -43.2 -3.4 59.0 18.2 59 80 A F H >< S+ 0 0 0 -4,-3.2 3,-1.3 1,-0.2 4,-0.2 0.954 118.4 37.7 -61.3 -56.0 -0.4 60.9 16.9 60 81 A N H >< S+ 0 0 9 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.792 105.0 70.9 -70.8 -23.5 -0.2 63.3 19.7 61 82 A G G >< S+ 0 0 22 -4,-1.5 3,-2.1 -5,-0.3 4,-0.3 0.702 79.2 78.2 -64.0 -16.7 -1.1 60.5 22.1 62 83 A L G X> S+ 0 0 18 -3,-1.3 3,-1.7 -4,-0.5 4,-1.5 0.777 78.5 72.1 -63.5 -22.0 2.4 59.1 21.4 63 84 A K G <4 S+ 0 0 37 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.616 82.8 68.1 -69.1 -10.8 3.5 61.8 23.9 64 85 A K G <4 S+ 0 0 190 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.718 107.7 38.8 -78.6 -19.5 2.0 59.7 26.7 65 86 A M T <4 S+ 0 0 157 -3,-1.7 -2,-0.2 -4,-0.3 -1,-0.2 0.710 134.7 22.2 -95.7 -29.5 4.7 57.1 25.9 66 87 A N >< - 0 0 35 -4,-1.5 3,-1.7 1,-0.1 -1,-0.2 -0.731 63.3-179.4-142.2 88.8 7.5 59.8 25.3 67 88 A P T 3 S+ 0 0 101 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.579 81.9 65.3 -64.8 -12.7 6.7 63.2 26.9 68 89 A K T 3 S+ 0 0 182 2,-0.1 2,-0.1 -5,-0.0 -5,-0.1 0.682 80.1 103.0 -84.2 -17.5 10.0 64.6 25.5 69 90 A L < - 0 0 2 -3,-1.7 2,-0.4 -7,-0.1 -37,-0.2 -0.398 60.9-152.2 -67.3 137.3 8.7 64.2 22.0 70 91 A K E -c 32 0A 33 -39,-2.0 -37,-2.6 -2,-0.1 2,-0.4 -0.902 9.2-159.0-109.8 139.8 7.5 67.4 20.3 71 92 A T E -c 33 0A 0 -2,-0.4 41,-2.2 -39,-0.2 42,-0.3 -0.931 8.7-175.8-122.0 145.2 4.8 67.2 17.6 72 93 A L E -c 34 0A 0 -39,-2.5 -37,-2.8 -2,-0.4 2,-0.5 -0.938 20.7-134.8-133.9 158.6 4.0 69.7 14.9 73 94 A L E -cd 35 114A 0 40,-1.9 42,-2.7 -2,-0.3 2,-0.4 -0.966 21.5-145.5-113.6 128.1 1.3 69.9 12.2 74 95 A A E -cd 36 115A 0 -39,-3.1 -36,-2.7 -2,-0.5 -37,-0.5 -0.785 8.7-157.8 -95.6 136.3 2.5 70.9 8.7 75 96 A I E +cd 38 116A 0 40,-2.5 42,-2.4 -2,-0.4 2,-0.5 -0.941 57.3 8.2-113.8 135.0 0.3 73.0 6.4 76 97 A G E - d 0 117A 5 -38,-1.6 42,-0.2 -2,-0.4 3,-0.1 -0.911 59.3-175.6 114.3-126.9 0.7 73.0 2.7 77 98 A G >> - 0 0 1 40,-3.0 3,-0.8 -2,-0.5 4,-0.7 -0.283 50.6 -65.3 105.8 165.6 2.9 70.8 0.6 78 99 A W G >4 S+ 0 0 147 1,-0.2 3,-0.9 2,-0.2 -1,-0.1 0.913 131.6 46.0 -53.9 -50.6 3.8 70.5 -3.1 79 100 A N G 34 S+ 0 0 153 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.648 97.6 73.8 -72.7 -12.7 0.3 69.6 -4.3 80 101 A F G <4 S- 0 0 52 -3,-0.8 4,-0.3 1,-0.2 -1,-0.2 0.792 86.7-159.2 -70.3 -29.2 -1.3 72.3 -2.1 81 102 A G << - 0 0 27 -3,-0.9 38,-0.6 -4,-0.7 -1,-0.2 -0.367 25.3 -85.1 82.0-161.9 -0.1 75.1 -4.5 82 103 A T S >> S+ 0 0 12 42,-0.3 4,-2.9 36,-0.1 3,-0.6 0.637 97.7 88.0-121.8 -22.7 0.3 78.8 -3.6 83 104 A Q H 3> S+ 0 0 130 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.874 91.0 49.5 -49.5 -49.4 -3.1 80.5 -4.1 84 105 A K H 3> S+ 0 0 87 -4,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.841 114.6 44.8 -63.2 -33.5 -4.4 79.8 -0.6 85 106 A F H <> S+ 0 0 1 -3,-0.6 4,-2.7 2,-0.2 5,-0.2 0.951 112.9 49.7 -73.6 -49.7 -1.2 81.1 1.0 86 107 A T H X S+ 0 0 22 -4,-2.9 4,-0.8 1,-0.2 -2,-0.2 0.923 115.0 45.3 -51.2 -49.3 -1.0 84.2 -1.1 87 108 A D H < S+ 0 0 68 -4,-2.5 4,-0.4 -5,-0.3 3,-0.2 0.859 113.2 50.4 -63.6 -40.1 -4.6 85.0 -0.4 88 109 A M H >< S+ 0 0 0 -4,-1.5 3,-0.5 -5,-0.2 -2,-0.2 0.881 113.0 43.2 -70.3 -38.4 -4.2 84.3 3.3 89 110 A V H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.553 93.3 85.8 -85.5 -5.9 -1.2 86.5 3.9 90 111 A A T 3< S+ 0 0 36 -4,-0.8 2,-0.3 -5,-0.2 -1,-0.2 0.737 91.5 35.7 -67.7 -28.1 -2.5 89.4 1.8 91 112 A T S <> S- 0 0 62 -3,-0.5 4,-2.6 -4,-0.4 5,-0.2 -0.958 72.5-127.3-131.0 150.4 -4.5 91.2 4.5 92 113 A A H > S+ 0 0 67 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.879 112.3 53.6 -58.1 -37.2 -4.2 91.8 8.2 93 114 A N H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.907 109.9 45.6 -66.7 -41.1 -7.7 90.3 8.7 94 115 A N H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.927 114.2 48.8 -67.3 -44.5 -6.9 87.1 6.9 95 116 A R H X S+ 0 0 42 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.898 111.9 49.8 -61.5 -41.3 -3.6 86.7 8.7 96 117 A Q H X S+ 0 0 125 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.920 111.0 48.7 -63.8 -43.9 -5.3 87.3 12.0 97 118 A T H X S+ 0 0 42 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.921 114.5 45.8 -62.1 -43.2 -8.0 84.8 11.3 98 119 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -53,-0.3 0.949 113.3 48.4 -66.8 -48.5 -5.4 82.2 10.2 99 120 A V H X S+ 0 0 8 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.924 113.4 46.5 -58.8 -47.5 -3.1 82.8 13.2 100 121 A N H X S+ 0 0 94 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.875 112.9 49.9 -65.1 -35.6 -5.9 82.6 15.7 101 122 A S H X S+ 0 0 18 -4,-2.0 4,-2.9 -5,-0.3 5,-0.3 0.894 107.7 54.9 -69.1 -37.8 -7.3 79.4 14.1 102 123 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.943 109.2 47.1 -59.3 -47.4 -3.8 77.9 14.2 103 124 A I H X S+ 0 0 24 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.953 116.1 43.7 -59.6 -48.4 -3.5 78.5 17.9 104 125 A R H X S+ 0 0 168 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.917 115.9 47.3 -64.8 -41.6 -7.0 77.1 18.6 105 126 A F H X S+ 0 0 26 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.931 113.6 46.9 -63.7 -49.4 -6.5 74.1 16.3 106 127 A L H X>S+ 0 0 0 -4,-2.8 5,-2.9 -5,-0.3 4,-0.6 0.893 115.7 45.3 -63.7 -39.8 -3.1 73.1 17.6 107 128 A R H ><5S+ 0 0 46 -4,-2.3 3,-0.7 -5,-0.3 -1,-0.2 0.901 108.5 57.4 -70.9 -39.9 -4.2 73.4 21.2 108 129 A K H 3<5S+ 0 0 107 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.897 117.0 32.8 -56.5 -43.5 -7.5 71.5 20.6 109 130 A Y H 3<5S- 0 0 21 -4,-1.8 -1,-0.2 -5,-0.1 -49,-0.2 0.366 113.1-111.0 -97.7 3.7 -5.6 68.4 19.3 110 131 A S T <<5 + 0 0 72 -3,-0.7 2,-0.3 -4,-0.6 -3,-0.2 0.875 59.2 156.0 70.4 40.3 -2.5 68.7 21.4 111 132 A F < - 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0 0 5 -5,-2.5 -1,-0.3 1,-0.0 5,-0.1 -0.666 54.6-123.7 -81.2 121.0 20.5 80.9 9.1 235 256 A P >> - 0 0 47 0, 0.0 3,-1.7 0, 0.0 4,-0.8 -0.378 22.5-124.2 -57.5 140.2 22.2 80.1 12.5 236 257 A A G >4 S+ 0 0 33 1,-0.3 96,-1.6 2,-0.2 3,-1.3 0.898 108.8 59.4 -54.8 -42.1 23.7 76.6 12.0 237 258 A S G 34 S+ 0 0 81 94,-0.3 -1,-0.3 1,-0.3 94,-0.1 0.621 105.7 48.8 -64.6 -14.1 21.8 75.3 15.0 238 259 A K G <4 S+ 0 0 45 -3,-1.7 -52,-3.3 -53,-0.1 2,-0.7 0.544 89.9 94.0 -99.3 -12.0 18.5 76.1 13.4 239 260 A L E << -g 186 0A 0 -3,-1.3 93,-1.5 -4,-0.8 94,-0.7 -0.741 58.2-166.5 -88.5 117.9 19.3 74.5 10.1 240 261 A I E -gh 187 333A 0 -54,-3.0 -52,-2.1 -2,-0.7 2,-0.8 -0.913 18.8-131.2-108.1 119.0 18.0 71.0 9.9 241 262 A L E -gh 188 334A 0 92,-2.3 94,-2.5 -2,-0.6 2,-0.1 -0.563 20.4-145.3 -75.7 107.7 19.3 68.9 7.1 242 263 A G E - h 0 335A 1 -54,-1.7 94,-0.2 -2,-0.8 -52,-0.2 -0.454 18.3-174.9 -73.0 144.3 16.5 67.1 5.3 243 264 A M E - h 0 336A 0 92,-1.9 94,-2.1 -2,-0.1 2,-0.3 -0.994 19.1-124.1-140.2 143.5 17.1 63.7 3.9 244 265 A P E - 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