==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JAN-09 3FXY . COMPND 2 MOLECULE: ACIDIC MAMMALIAN CHITINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.M.OLLAND . 1510 5 12 11 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58090.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1068 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 177 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 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 . 8 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 . 2 0.1 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 . 87 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 180 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 402 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 1.9 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 1 0 11 0 6 10 0 0 4 0 0 0 0 4 0 0 0 0 3 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 15 9 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 PARALLEL BRIDGES PER LADDER . 4 0 12 8 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 4 0 0 4 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 Y 0 0 107 0, 0.0 2,-0.3 0, 0.0 334,-0.3 0.000 360.0 360.0 360.0 157.0 47.4 -20.9 2.5 2 23 A Q E -a 335 0A 39 332,-2.5 334,-2.1 366,-0.1 2,-0.4 -0.797 360.0-165.6-101.9 145.2 49.2 -17.5 2.2 3 24 A L E -a 336 0A 0 -2,-0.3 28,-2.4 332,-0.2 29,-2.1 -0.910 13.5-173.2-130.4 107.3 52.2 -16.7 0.1 4 25 A T E -ab 337 32A 0 332,-2.5 334,-2.7 -2,-0.4 2,-0.5 -0.876 3.3-164.9-111.3 120.0 53.8 -13.4 1.1 5 26 A a E -ab 338 33A 0 27,-2.7 29,-2.3 -2,-0.5 2,-0.4 -0.922 10.3-144.5-116.5 119.7 56.6 -12.0 -0.9 6 27 A Y E - b 0 34A 1 332,-2.5 335,-2.6 -2,-0.5 334,-0.5 -0.667 12.1-163.0 -79.8 127.9 58.9 -9.2 0.3 7 28 A F E - b 0 35A 1 27,-3.2 29,-3.1 -2,-0.4 2,-0.5 -0.931 11.3-144.1-106.7 137.6 60.0 -6.7 -2.4 8 29 A T E > - b 0 36A 1 -2,-0.4 3,-1.5 27,-0.2 4,-0.3 -0.895 9.3-145.5-112.0 131.0 63.1 -4.5 -1.5 9 30 A N T 3 S+ 0 0 4 27,-3.0 28,-0.1 -2,-0.5 -1,-0.1 0.417 96.9 61.0 -75.4 3.2 63.4 -0.9 -2.6 10 31 A W T > S+ 0 0 81 26,-0.2 3,-1.6 1,-0.1 -1,-0.3 0.512 79.0 83.4-103.0 -8.5 67.2 -1.2 -3.0 11 32 A A G X S+ 0 0 0 -3,-1.5 3,-1.3 1,-0.3 9,-1.1 0.714 75.5 75.8 -65.3 -22.7 67.1 -3.9 -5.7 12 33 A Q G 3 S+ 0 0 6 -4,-0.3 -1,-0.3 7,-0.2 -2,-0.1 0.720 88.5 59.6 -54.9 -25.6 66.6 -1.0 -8.2 13 34 A Y G < S+ 0 0 111 -3,-1.6 -1,-0.2 7,-0.1 -2,-0.2 0.532 77.7 110.8 -89.5 -4.9 70.3 -0.2 -7.9 14 35 A R S < S- 0 0 14 -3,-1.3 5,-0.3 4,-0.2 259,-0.1 -0.427 72.2-108.7 -73.3 142.4 71.6 -3.6 -9.1 15 36 A P > - 0 0 58 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.334 65.1 -32.9 -73.4 152.2 73.4 -3.7 -12.5 16 37 A G G > S+ 0 0 69 1,-0.3 3,-1.5 2,-0.2 -2,-0.0 -0.066 132.9 8.0 49.0-126.0 72.1 -5.3 -15.7 17 38 A L G 3 S+ 0 0 90 1,-0.3 -1,-0.3 3,-0.0 330,-0.2 0.530 123.5 68.7 -67.7 -6.1 69.9 -8.4 -15.2 18 39 A G G < + 0 0 0 -3,-2.3 -1,-0.3 254,-0.1 -4,-0.2 0.715 69.9 109.3 -83.9 -23.8 69.9 -7.8 -11.4 19 40 A R < - 0 0 116 -3,-1.5 2,-0.4 -5,-0.3 -7,-0.2 -0.346 48.9-172.8 -57.6 126.6 67.8 -4.6 -11.5 20 41 A F + 0 0 0 -9,-1.1 -6,-0.1 -12,-0.1 -7,-0.1 -0.981 6.3 177.1-131.4 118.9 64.4 -5.4 -10.0 21 42 A M > - 0 0 37 -2,-0.4 3,-2.2 -10,-0.1 4,-0.3 -0.707 47.3 -98.2-113.1 165.1 61.5 -2.9 -10.1 22 43 A P G > S+ 0 0 3 0, 0.0 3,-1.9 0, 0.0 -1,-0.0 0.874 121.7 60.9 -52.3 -38.6 57.9 -3.3 -8.9 23 44 A D G 3 S+ 0 0 112 1,-0.3 32,-0.0 3,-0.0 -3,-0.0 0.530 89.9 70.0 -69.4 -5.5 56.7 -4.0 -12.5 24 45 A D G < S+ 0 0 68 -3,-2.2 2,-0.4 2,-0.1 -1,-0.3 0.508 79.2 101.0 -84.4 -5.5 59.0 -7.1 -12.6 25 46 A I S < S- 0 0 5 -3,-1.9 317,-0.0 -4,-0.3 -18,-0.0 -0.689 76.4-131.9 -82.0 126.4 56.7 -8.8 -10.1 26 47 A N >> - 0 0 77 -2,-0.4 3,-1.9 1,-0.1 4,-0.6 -0.726 15.8-150.0 -71.6 112.8 54.2 -11.3 -11.5 27 48 A P T 34 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 42,-0.1 0.692 93.4 52.2 -62.1 -19.6 50.9 -10.1 -9.9 28 49 A b T 34 S+ 0 0 21 1,-0.1 345,-0.1 345,-0.1 344,-0.1 0.301 92.1 77.6 -99.3 8.0 49.5 -13.7 -9.9 29 50 A L T <4 S+ 0 0 6 -3,-1.9 2,-0.2 1,-0.0 -1,-0.1 0.922 95.8 30.9 -84.1 -47.8 52.5 -15.3 -8.1 30 51 A a < - 0 0 3 -4,-0.6 -26,-0.2 1,-0.1 3,-0.1 -0.699 60.4-143.2-112.3 161.4 52.0 -14.3 -4.4 31 52 A T S S+ 0 0 31 -28,-2.4 39,-1.7 1,-0.3 2,-0.4 0.776 92.0 27.2 -89.6 -33.4 48.9 -13.7 -2.3 32 53 A H E -bc 4 70A 7 -29,-2.1 -27,-2.7 37,-0.2 2,-0.4 -0.981 67.1-161.1-127.8 141.8 50.5 -10.8 -0.3 33 54 A L E -bc 5 71A 2 37,-2.3 39,-2.4 -2,-0.4 2,-0.5 -0.990 6.9-161.6-121.8 135.2 53.3 -8.4 -1.3 34 55 A I E -bc 6 72A 0 -29,-2.3 -27,-3.2 -2,-0.4 2,-0.6 -0.970 10.3-143.3-122.0 127.6 55.3 -6.4 1.3 35 56 A Y E -bc 7 73A 0 37,-2.7 39,-3.2 -2,-0.5 2,-0.5 -0.782 25.0-127.9 -92.2 115.4 57.3 -3.3 0.4 36 57 A A E +bc 8 74A 0 -29,-3.1 -27,-3.0 -2,-0.6 -26,-0.2 -0.932 65.4 15.3-109.1 127.5 60.6 -3.0 2.4 37 58 A F E + 0 0 19 37,-0.6 2,-0.3 -2,-0.5 38,-0.2 0.667 42.2 166.5-135.2 159.8 61.2 -0.5 3.9 38 59 A A E - c 0 75A 0 36,-3.0 38,-2.0 -3,-0.2 9,-0.2 -0.706 27.7-151.8 -94.4 159.0 59.6 2.7 5.2 39 60 A G E -I 46 0B 3 7,-2.6 7,-1.7 -2,-0.3 2,-0.3 -0.282 7.8-116.0-113.6-158.7 61.4 4.9 7.7 40 61 A M E +I 45 0B 27 5,-0.3 2,-0.3 -2,-0.1 5,-0.2 -0.995 19.8 178.7-149.4 138.8 60.5 7.4 10.5 41 62 A Q E > S-I 44 0B 130 3,-2.5 3,-1.2 -2,-0.3 -2,-0.0 -0.968 80.0 -13.8-139.5 126.6 60.9 11.1 11.2 42 63 A N T 3 S- 0 0 137 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.891 129.3 -52.9 47.0 47.9 59.6 12.7 14.4 43 64 A N T 3 S+ 0 0 36 1,-0.2 2,-0.4 41,-0.1 -1,-0.3 0.704 116.7 112.7 64.1 25.5 57.5 9.6 15.2 44 65 A E E < S-I 41 0B 98 -3,-1.2 -3,-2.5 57,-0.1 -1,-0.2 -0.983 72.6-107.3-129.7 139.1 55.8 9.7 11.7 45 66 A I E +I 40 0B 9 53,-0.4 2,-0.3 -2,-0.4 -5,-0.3 -0.357 45.6 172.6 -64.7 138.5 56.2 7.1 8.9 46 67 A T E -I 39 0B 25 -7,-1.7 -7,-2.6 -2,-0.1 2,-0.1 -0.898 33.5 -98.5-138.7 168.1 58.3 8.3 5.9 47 68 A T - 0 0 52 -2,-0.3 -9,-0.1 -9,-0.2 3,-0.1 -0.301 21.3-162.1 -74.2 171.3 59.8 7.1 2.6 48 69 A I + 0 0 83 -11,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.562 67.9 60.4-128.0 -33.5 63.5 6.2 2.5 49 70 A E S > S- 0 0 44 1,-0.1 3,-1.8 0, 0.0 4,-0.3 -0.801 82.4-121.8-103.6 147.7 64.4 6.3 -1.3 50 71 A W T 3 S+ 0 0 206 -2,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.786 113.5 39.3 -52.0 -34.8 64.1 9.4 -3.5 51 72 A N T >> S+ 0 0 14 1,-0.2 4,-2.1 2,-0.1 3,-0.5 0.192 77.2 117.2-106.2 14.6 61.7 7.5 -5.8 52 73 A D H <> S+ 0 0 0 -3,-1.8 4,-3.1 1,-0.2 5,-0.2 0.826 73.8 55.8 -51.8 -40.2 59.6 5.6 -3.3 53 74 A V H 3> S+ 0 0 52 -4,-0.3 4,-1.8 -3,-0.3 -1,-0.2 0.899 109.5 46.6 -62.9 -42.5 56.3 7.4 -4.2 54 75 A T H <> S+ 0 0 92 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.899 114.5 47.3 -62.7 -44.2 56.8 6.4 -7.8 55 76 A L H X S+ 0 0 5 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.879 108.4 55.5 -67.1 -38.7 57.6 2.8 -6.8 56 77 A Y H X S+ 0 0 0 -4,-3.1 4,-3.0 2,-0.2 5,-0.3 0.899 107.4 50.3 -56.2 -45.5 54.6 2.7 -4.4 57 78 A Q H X S+ 0 0 128 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.916 115.0 41.8 -62.7 -45.1 52.3 3.6 -7.3 58 79 A A H X S+ 0 0 24 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.892 115.8 51.4 -66.4 -41.3 53.7 0.9 -9.5 59 80 A F H >< S+ 0 0 0 -4,-2.9 3,-1.0 1,-0.2 4,-0.2 0.949 115.4 38.7 -61.7 -52.8 53.7 -1.6 -6.6 60 81 A N H >< S+ 0 0 7 -4,-3.0 3,-1.2 1,-0.2 -1,-0.2 0.722 104.7 70.4 -76.8 -18.7 50.1 -1.0 -5.6 61 82 A G H >< S+ 0 0 25 -4,-1.3 3,-1.8 -5,-0.3 4,-0.3 0.718 80.7 76.1 -64.6 -23.4 49.1 -0.8 -9.2 62 83 A L G X< S+ 0 0 4 -3,-1.0 3,-1.6 -4,-0.6 4,-0.3 0.745 79.5 71.9 -60.5 -26.3 49.7 -4.6 -9.5 63 84 A K G X S+ 0 0 43 -3,-1.2 3,-0.5 1,-0.3 -1,-0.3 0.651 81.2 72.0 -65.0 -19.3 46.4 -5.1 -7.7 64 85 A N G < S+ 0 0 147 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.769 101.6 44.9 -62.6 -26.0 44.6 -4.0 -10.8 65 86 A K G < S+ 0 0 129 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.2 0.475 119.2 40.1 -98.6 -7.2 45.7 -7.4 -12.3 66 87 A N X - 0 0 8 -3,-0.5 3,-0.9 -4,-0.3 -1,-0.2 -0.858 63.1-162.8-148.1 106.8 44.8 -9.6 -9.3 67 88 A S T 3 S+ 0 0 92 305,-2.4 306,-0.1 -2,-0.3 -4,-0.1 0.470 92.4 46.0 -73.6 -3.9 41.6 -8.9 -7.4 68 89 A Q T 3 S+ 0 0 123 304,-0.1 -1,-0.2 2,-0.0 2,-0.2 0.523 84.0 113.9-112.1 -9.9 42.8 -10.9 -4.3 69 90 A L < - 0 0 8 -3,-0.9 2,-0.4 -6,-0.2 -37,-0.2 -0.403 47.4-165.1 -65.8 129.5 46.3 -9.5 -4.0 70 91 A K E -c 32 0A 92 -39,-1.7 -37,-2.3 -2,-0.2 2,-0.3 -0.931 3.1-151.8-118.3 144.2 46.9 -7.4 -0.9 71 92 A T E -c 33 0A 0 -2,-0.4 41,-2.1 -39,-0.2 42,-0.4 -0.881 10.2-174.2-117.2 146.9 49.9 -5.1 -0.3 72 93 A L E -c 34 0A 1 -39,-2.4 -37,-2.7 -2,-0.3 2,-0.5 -0.960 20.3-132.6-133.9 153.8 51.6 -4.0 2.9 73 94 A L E -cd 35 114A 0 40,-2.2 42,-2.7 -2,-0.3 2,-0.5 -0.937 19.7-144.7-106.1 128.3 54.3 -1.5 3.7 74 95 A A E -cd 36 115A 0 -39,-3.2 -36,-3.0 -2,-0.5 -37,-0.6 -0.809 10.6-158.7 -93.3 127.5 57.2 -2.7 6.0 75 96 A I E +cd 38 116A 0 40,-2.3 42,-2.4 -2,-0.5 2,-0.5 -0.911 57.5 9.6-106.4 131.9 58.7 -0.2 8.4 76 97 A G E + d 0 117A 3 -38,-2.0 4,-0.2 -2,-0.5 42,-0.2 -0.930 58.9 178.2 117.6-121.9 62.2 -0.7 9.9 77 98 A G > - 0 0 1 40,-2.4 4,-0.7 -2,-0.5 42,-0.4 -0.431 52.8 -58.9 100.9 179.6 64.7 -3.3 8.8 78 99 A W T >4 S+ 0 0 135 1,-0.2 3,-1.3 2,-0.2 -1,-0.1 0.968 130.0 45.3 -64.7 -59.1 68.3 -4.0 9.9 79 100 A N T 34 S+ 0 0 167 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.788 102.4 68.2 -58.5 -31.4 70.0 -0.7 9.2 80 101 A F T 34 S- 0 0 47 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.805 88.5-167.7 -58.0 -34.6 67.1 1.3 10.8 81 102 A G << - 0 0 17 -3,-1.3 38,-0.4 -4,-0.7 -1,-0.2 -0.298 33.0 -76.4 76.1-159.3 68.1 -0.1 14.3 82 103 A T S >> S+ 0 0 12 42,-0.3 4,-2.4 36,-0.1 3,-0.8 0.705 101.8 88.1-112.1 -29.3 66.0 0.1 17.4 83 104 A A H 3> S+ 0 0 72 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.808 89.6 47.7 -46.5 -49.3 66.3 3.7 18.7 84 105 A P H 3> S+ 0 0 41 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.868 114.0 48.4 -65.3 -33.3 63.5 5.3 16.7 85 106 A F H <> S+ 0 0 0 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.920 110.3 51.6 -68.5 -46.0 61.1 2.5 17.7 86 107 A T H X S+ 0 0 29 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.924 113.2 44.5 -52.9 -50.0 62.1 2.8 21.4 87 108 A A H < S+ 0 0 48 -4,-2.3 3,-0.4 1,-0.2 4,-0.4 0.890 113.0 51.5 -65.1 -40.7 61.5 6.5 21.4 88 109 A M H < S+ 0 0 0 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.857 113.3 42.4 -66.6 -37.9 58.1 6.2 19.5 89 110 A V H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.589 91.6 89.3 -85.2 -8.7 56.6 3.6 21.8 90 111 A S S < S+ 0 0 67 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.1 0.726 94.6 27.6 -64.9 -27.7 57.9 5.3 25.0 91 112 A T S > S- 0 0 40 -3,-0.5 4,-1.8 -4,-0.4 5,-0.1 -0.972 73.0-128.2-133.4 149.4 54.7 7.5 25.4 92 113 A P H > S+ 0 0 67 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.832 111.0 58.3 -61.7 -31.2 51.1 7.1 24.3 93 114 A E H > S+ 0 0 93 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.900 106.9 45.5 -66.0 -42.7 51.2 10.5 22.7 94 115 A N H > S+ 0 0 28 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.864 112.1 53.0 -65.6 -39.0 54.1 9.5 20.4 95 116 A R H X S+ 0 0 16 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.917 109.1 48.0 -62.7 -45.1 52.3 6.2 19.6 96 117 A Q H X S+ 0 0 123 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.904 110.6 52.1 -62.3 -42.6 49.1 8.0 18.6 97 118 A T H X S+ 0 0 33 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.928 113.3 44.5 -58.4 -47.6 51.1 10.4 16.4 98 119 A F H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -53,-0.4 0.949 114.0 49.0 -59.3 -53.2 52.8 7.4 14.6 99 120 A I H X S+ 0 0 9 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.912 111.2 49.5 -55.9 -48.3 49.5 5.5 14.3 100 121 A T H X S+ 0 0 80 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.933 111.7 49.5 -56.3 -47.7 47.7 8.6 12.8 101 122 A S H X S+ 0 0 10 -4,-2.2 4,-2.6 -58,-0.2 -2,-0.2 0.890 110.4 51.3 -59.4 -41.7 50.6 9.1 10.3 102 123 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.935 108.3 49.5 -62.7 -50.0 50.5 5.4 9.3 103 124 A I H X S+ 0 0 29 -4,-2.5 4,-2.0 1,-0.2 5,-0.2 0.945 115.6 44.9 -53.7 -48.1 46.7 5.4 8.6 104 125 A K H X S+ 0 0 141 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.904 114.5 48.3 -62.1 -44.9 47.1 8.5 6.5 105 126 A F H X S+ 0 0 22 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.927 112.4 46.7 -62.9 -50.4 50.2 7.2 4.7 106 127 A L H X>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.2 4,-0.8 0.884 115.1 46.8 -63.8 -39.2 48.8 3.8 3.8 107 128 A R H <5S+ 0 0 64 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.858 110.5 53.0 -70.8 -36.7 45.5 5.3 2.5 108 129 A Q H <5S+ 0 0 111 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.915 119.2 33.3 -62.7 -44.3 47.3 8.0 0.4 109 130 A Y H <5S- 0 0 36 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.423 113.4-113.4 -98.5 -0.7 49.5 5.5 -1.4 110 131 A E T <5 + 0 0 135 -4,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.860 57.6 154.4 72.8 41.6 46.9 2.6 -1.5 111 132 A F < - 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0 0 10 -6,-0.2 -1,-0.3 -3,-0.2 5,-0.1 -0.811 58.6-123.6 -93.0 121.9 28.8 -5.2 53.2 507 148 B P > - 0 0 37 0, 0.0 3,-1.9 0, 0.0 -5,-0.5 -0.189 25.5-106.7 -64.6 156.9 27.8 -5.7 56.9 508 149 B P T > S+ 0 0 108 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.677 113.5 65.6 -63.6 -21.9 25.6 -8.7 57.9 509 150 B Q T 3> S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.651 83.9 75.8 -75.1 -16.7 22.5 -6.6 58.5 510 151 B D H <> S+ 0 0 2 -3,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.788 82.1 68.7 -62.9 -30.6 22.3 -5.7 54.8 511 152 B K H <> S+ 0 0 65 -3,-0.8 4,-0.9 -4,-0.3 44,-0.5 0.924 109.9 33.4 -53.1 -49.6 20.9 -9.2 54.0 512 153 B H H > S+ 0 0 99 -4,-0.4 4,-2.0 -3,-0.4 3,-0.4 0.889 114.5 58.4 -73.2 -42.1 17.7 -8.3 55.8 513 154 B L H X S+ 0 0 34 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.750 100.6 58.5 -62.8 -25.0 17.7 -4.6 54.8 514 155 B F H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.890 105.0 49.2 -69.0 -41.5 17.8 -5.7 51.1 515 156 B T H X S+ 0 0 4 -4,-0.9 4,-2.5 -3,-0.4 -2,-0.2 0.922 111.9 49.5 -59.6 -45.5 14.5 -7.6 51.7 516 157 B V H X S+ 0 0 17 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.905 109.8 51.6 -59.8 -45.8 13.1 -4.5 53.3 517 158 B L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.929 111.9 44.8 -55.2 -50.6 14.3 -2.3 50.3 518 159 B V H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.909 112.3 53.0 -65.3 -43.0 12.6 -4.6 47.7 519 160 B Q H X S+ 0 0 61 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.943 112.6 43.9 -51.5 -54.7 9.4 -4.8 49.9 520 161 B E H X S+ 0 0 40 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.789 115.2 48.0 -65.2 -34.0 9.2 -1.0 50.0 521 162 B M H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.2 -1,-0.2 0.905 109.8 52.4 -72.1 -43.6 10.0 -0.5 46.3 522 163 B R H X S+ 0 0 12 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.924 112.8 44.7 -58.2 -47.3 7.5 -3.1 45.3 523 164 B E H X S+ 0 0 55 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.917 113.0 50.2 -63.8 -45.2 4.7 -1.4 47.3 524 165 B A H X S+ 0 0 13 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.891 109.9 51.5 -60.2 -41.6 5.8 2.1 46.0 525 166 B F H X S+ 0 0 0 -4,-2.9 4,-1.8 2,-0.2 12,-0.4 0.868 111.0 48.5 -60.2 -40.6 5.7 0.7 42.4 526 167 B E H X S+ 0 0 24 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.917 112.7 47.8 -65.2 -45.1 2.2 -0.6 43.1 527 168 B Q H X S+ 0 0 137 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.922 112.1 48.4 -61.9 -47.5 1.0 2.7 44.6 528 169 B E H X S+ 0 0 11 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.867 105.5 59.4 -63.1 -38.7 2.5 4.8 41.7 529 170 B A H X>S+ 0 0 11 -4,-1.8 5,-1.5 1,-0.2 4,-1.0 0.911 110.2 41.2 -55.7 -46.2 0.8 2.5 39.1 530 171 B K H <5S+ 0 0 125 -4,-1.5 -1,-0.2 3,-0.2 -2,-0.2 0.834 113.9 56.2 -69.8 -34.4 -2.6 3.3 40.5 531 172 B Q H <5S+ 0 0 156 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.958 119.4 27.2 -59.7 -55.4 -1.6 6.9 40.9 532 173 B I H <5S- 0 0 68 -4,-2.9 -1,-0.2 2,-0.1 -2,-0.2 0.472 105.0-123.2 -93.9 -2.3 -0.7 7.5 37.2 533 174 B N T <5 + 0 0 146 -4,-1.0 -3,-0.2 -5,-0.3 -4,-0.1 0.932 69.7 116.5 56.1 54.0 -3.0 4.8 35.8 534 175 B K S > S- 0 0 28 1,-0.1 4,-2.4 49,-0.1 3,-0.6 -0.589 71.6-142.1 -74.8 123.1 28.2 -18.9 45.0 547 188 B I H 3> S+ 0 0 16 -2,-0.4 4,-2.5 1,-0.3 5,-0.2 0.850 100.7 51.8 -56.3 -42.3 26.6 -20.8 48.0 548 189 B S H 3> S+ 0 0 87 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.865 112.9 46.1 -61.2 -38.4 28.6 -18.8 50.6 549 190 B N H <> S+ 0 0 51 -3,-0.6 4,-1.0 2,-0.2 -2,-0.2 0.844 111.5 52.1 -71.3 -36.2 27.4 -15.5 49.0 550 191 B I H X S+ 0 0 2 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.916 110.3 47.9 -63.8 -45.3 23.8 -16.8 48.8 551 192 B Q H < S+ 0 0 108 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.872 119.8 37.4 -66.2 -39.4 23.8 -17.7 52.5 552 193 B S H < S+ 0 0 43 -4,-1.5 -1,-0.2 -5,-0.2 -41,-0.2 0.591 121.7 47.8 -85.8 -11.5 25.2 -14.4 53.6 553 194 B G H < S+ 0 0 0 -4,-1.0 2,-0.4 1,-0.2 -2,-0.2 0.791 102.4 41.5-102.7 -33.4 23.3 -12.4 51.0 554 195 B Y < - 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