==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-MAY-99 1XYF . COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES OLIVACEOVIRIDIS; . AUTHOR Z.FUJIMOTO,H.MIZUNO,A.KUNO,I.KUSAKABE . 854 4 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29217.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 597 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 55 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 4 2 1 0 0 2 4 0 5 1 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 10 2 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 . 16 4 6 2 2 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 2 0 6 0 0 0 2 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 1 A A 0 0 87 0, 0.0 10,-0.2 0, 0.0 9,-0.0 0.000 360.0 360.0 360.0 179.9 5.9 27.1 55.3 2 2 A E + 0 0 95 6,-0.1 299,-0.1 9,-0.0 298,-0.0 0.241 360.0 85.8-149.9 12.2 7.2 30.0 57.2 3 3 A S S S+ 0 0 74 2,-0.0 2,-0.3 5,-0.0 294,-0.1 0.677 90.3 45.7 -89.9 -25.7 8.6 28.6 60.4 4 4 A T S > S- 0 0 30 1,-0.1 4,-2.2 293,-0.1 5,-0.2 -0.855 83.1-120.3-118.4 156.6 12.1 27.7 59.0 5 5 A L H > S+ 0 0 0 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.929 112.2 48.1 -59.3 -49.6 14.5 29.8 56.8 6 6 A G H > S+ 0 0 2 31,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.927 114.0 45.8 -58.2 -49.9 14.5 27.2 53.9 7 7 A A H > S+ 0 0 25 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.889 112.9 49.8 -61.6 -41.7 10.7 26.9 53.8 8 8 A A H < S+ 0 0 0 -4,-2.2 4,-0.4 2,-0.2 3,-0.3 0.858 112.6 47.4 -66.8 -36.3 10.1 30.6 54.0 9 9 A A H ><>S+ 0 0 0 -4,-2.2 3,-2.0 1,-0.2 5,-2.0 0.935 104.2 62.1 -68.9 -41.0 12.6 31.2 51.1 10 10 A A H ><5S+ 0 0 50 -4,-2.6 3,-2.0 1,-0.3 -1,-0.2 0.754 87.8 73.4 -55.8 -26.4 11.0 28.4 49.1 11 11 A Q T 3<5S+ 0 0 105 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.801 104.4 37.1 -58.3 -35.1 7.8 30.5 49.1 12 12 A S T < 5S- 0 0 55 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.095 127.2 -98.7-102.5 18.4 9.3 32.9 46.6 13 13 A G T < 5S+ 0 0 69 -3,-2.0 -3,-0.2 1,-0.2 2,-0.1 0.617 88.1 117.0 76.4 13.7 11.1 30.1 44.8 14 14 A R < - 0 0 32 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.2 -0.424 54.9-130.2-104.9-178.6 14.4 30.7 46.6 15 15 A Y E -a 262 0A 15 246,-1.0 248,-2.1 -6,-0.1 2,-0.5 -0.921 1.4-151.1-130.6 155.9 16.6 28.7 48.9 16 16 A F E +a 263 0A 0 -2,-0.3 23,-2.3 246,-0.2 24,-0.6 -0.977 33.1 171.5-127.3 111.6 18.3 29.4 52.2 17 17 A G E -ab 264 40A 0 246,-3.1 248,-2.3 -2,-0.5 2,-0.3 -0.578 20.5-155.1-116.2-178.3 21.5 27.4 52.7 18 18 A T E -ab 265 41A 0 22,-1.8 24,-1.8 246,-0.3 2,-0.4 -0.905 28.8-101.8-146.3 169.9 24.5 26.9 54.9 19 19 A A E - b 0 42A 0 246,-0.7 2,-0.4 -2,-0.3 24,-0.2 -0.823 37.8-152.6 -94.8 138.9 28.1 25.6 54.7 20 20 A I E - b 0 43A 0 22,-2.9 24,-2.7 -2,-0.4 2,-0.5 -0.960 8.2-155.3-119.8 133.9 28.5 22.1 56.2 21 21 A A > - 0 0 12 -2,-0.4 3,-1.6 22,-0.2 4,-0.3 -0.935 12.4-147.0-105.4 123.4 31.6 20.7 57.7 22 22 A S G > S+ 0 0 26 -2,-0.5 3,-1.3 1,-0.3 4,-0.2 0.792 95.5 69.6 -62.0 -25.0 31.7 16.9 57.6 23 23 A G G 3 S+ 0 0 73 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.755 100.1 47.0 -64.2 -22.8 33.5 16.8 60.8 24 24 A K G X S+ 0 0 65 -3,-1.6 3,-1.1 1,-0.2 7,-0.4 0.421 79.0 98.8-100.6 3.0 30.4 18.1 62.6 25 25 A L T < S+ 0 0 33 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 0.668 82.5 56.2 -65.2 -12.5 28.0 15.6 61.1 26 26 A G T 3 S+ 0 0 76 -3,-0.4 2,-0.7 -4,-0.2 -1,-0.3 0.750 84.6 92.0 -87.4 -27.1 28.3 13.6 64.2 27 27 A D <> - 0 0 62 -3,-1.1 4,-2.4 1,-0.2 5,-0.2 -0.584 64.2-159.2 -71.1 112.1 27.3 16.4 66.5 28 28 A S H > S+ 0 0 83 -2,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.766 88.5 56.0 -66.7 -31.8 23.5 16.1 66.9 29 29 A A H > S+ 0 0 46 2,-0.2 4,-1.4 3,-0.1 -1,-0.2 0.892 111.6 46.6 -65.5 -38.7 22.9 19.7 68.0 30 30 A Y H > S+ 0 0 2 -3,-0.2 4,-2.4 -6,-0.2 3,-0.3 0.974 115.3 42.8 -66.9 -53.6 24.6 20.8 64.8 31 31 A T H X S+ 0 0 28 -4,-2.4 4,-2.6 -7,-0.4 5,-0.3 0.820 108.2 60.8 -66.7 -30.0 22.7 18.4 62.5 32 32 A T H X S+ 0 0 77 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.2 0.929 112.4 36.8 -61.2 -46.6 19.4 19.1 64.2 33 33 A I H X S+ 0 0 7 -4,-1.4 4,-3.0 -3,-0.3 5,-0.3 0.965 118.6 49.4 -70.0 -50.4 19.5 22.8 63.2 34 34 A A H X S+ 0 0 1 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.853 111.7 48.4 -57.7 -40.7 21.1 22.3 59.8 35 35 A S H < S+ 0 0 38 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.854 117.8 41.4 -69.9 -36.1 18.6 19.6 58.8 36 36 A R H < S+ 0 0 105 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.890 119.4 37.7 -78.9 -43.5 15.7 21.7 59.8 37 37 A E H < S+ 0 0 0 -4,-3.0 -31,-2.6 -5,-0.1 2,-0.3 0.752 104.6 60.1 -87.4 -26.5 16.6 25.2 58.7 38 38 A F < - 0 0 5 -4,-1.3 -21,-0.2 -5,-0.3 3,-0.1 -0.790 38.1-178.4-115.1 151.9 18.3 24.9 55.3 39 39 A N S S+ 0 0 37 -23,-2.3 38,-2.2 -2,-0.3 2,-0.3 0.219 75.6 56.6-127.7 17.9 17.6 23.5 51.9 40 40 A M E -bc 17 77A 1 -24,-0.6 -22,-1.8 36,-0.3 2,-0.4 -0.989 65.3-163.7-147.7 137.1 20.9 24.2 50.2 41 41 A V E -bc 18 78A 0 36,-2.2 38,-2.4 -2,-0.3 2,-0.4 -0.974 9.4-170.2-129.4 139.1 24.3 22.9 51.3 42 42 A T E -bc 19 79A 0 -24,-1.8 -22,-2.9 -2,-0.4 2,-0.5 -0.985 30.9-122.3-122.4 135.7 27.9 23.9 50.4 43 43 A A E -b 20 0A 0 36,-0.7 4,-0.3 -2,-0.4 -22,-0.2 -0.696 18.1-144.9 -77.8 126.6 30.8 21.7 51.6 44 44 A E S S- 0 0 29 -24,-2.7 -1,-0.2 -2,-0.5 -23,-0.1 0.932 82.7 -19.9 -59.4 -48.5 33.0 23.9 53.6 45 45 A N S > S+ 0 0 66 -25,-0.3 3,-1.7 -3,-0.1 6,-0.3 0.518 114.1 93.0-134.0 -18.1 36.3 22.3 52.6 46 46 A E T 3 S+ 0 0 16 1,-0.3 18,-0.5 17,-0.2 19,-0.1 0.629 88.8 44.2 -58.8 -23.8 35.4 18.9 51.3 47 47 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.3 -3,-0.0 0.215 87.3 119.1-109.5 15.3 35.1 19.7 47.6 48 48 A K S <> S- 0 0 13 -3,-1.7 4,-2.1 1,-0.1 5,-0.2 -0.216 78.5-104.8 -73.0 168.6 38.3 21.9 47.4 49 49 A I H > S+ 0 0 3 38,-0.2 4,-2.2 1,-0.2 40,-0.1 0.951 118.9 48.9 -62.5 -50.6 41.2 21.0 45.1 50 50 A D H 4 S+ 0 0 56 38,-1.1 -1,-0.2 1,-0.2 39,-0.1 0.832 114.3 47.0 -58.9 -34.0 43.5 19.7 47.9 51 51 A A H 4 S+ 0 0 34 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.860 116.9 39.9 -78.1 -37.3 40.7 17.5 49.3 52 52 A T H < S+ 0 0 0 -4,-2.1 8,-2.4 1,-0.2 -2,-0.2 0.692 128.6 26.2 -87.9 -22.6 39.5 15.9 46.0 53 53 A E < + 0 0 4 -4,-2.2 -1,-0.2 6,-0.3 6,-0.2 -0.568 64.9 163.8-141.0 70.9 42.8 15.3 44.3 54 54 A P S S+ 0 0 51 0, 0.0 2,-0.4 0, 0.0 38,-0.3 0.815 77.7 28.0 -57.0 -35.7 45.4 15.0 47.0 55 55 A Q B > S-I 58 0B 105 3,-1.1 3,-2.3 -3,-0.1 5,-0.0 -0.992 108.5 -87.2-129.3 138.2 47.9 13.4 44.5 56 56 A R T 3 S+ 0 0 102 -2,-0.4 3,-0.1 1,-0.3 -3,-0.0 -0.184 112.7 1.4 -50.1 122.0 47.8 14.2 40.8 57 57 A G T 3 S+ 0 0 55 1,-0.1 2,-0.9 47,-0.1 -1,-0.3 0.150 107.6 105.4 85.7 -17.2 45.4 11.8 39.0 58 58 A Q B < -I 55 0B 128 -3,-2.3 -3,-1.1 -5,-0.1 2,-0.3 -0.815 57.7-163.1-101.3 97.6 44.4 10.2 42.3 59 59 A F - 0 0 68 -2,-0.9 2,-0.5 -6,-0.2 -6,-0.3 -0.627 8.7-167.4 -85.5 136.5 41.0 11.5 43.2 60 60 A N + 0 0 76 -8,-2.4 4,-0.2 -2,-0.3 3,-0.1 -0.976 16.1 166.0-126.3 120.2 39.5 11.2 46.7 61 61 A F > + 0 0 30 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 0.117 43.0 110.0-119.6 20.2 35.8 11.9 47.2 62 62 A S H > S+ 0 0 69 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.963 86.6 35.4 -59.5 -57.5 35.2 10.4 50.7 63 63 A A H > S+ 0 0 31 2,-0.2 4,-1.8 -12,-0.2 5,-0.2 0.905 119.4 50.7 -66.6 -42.2 34.7 13.7 52.5 64 64 A G H > S+ 0 0 1 -18,-0.5 4,-2.7 1,-0.2 -2,-0.2 0.940 111.5 47.4 -61.6 -46.5 32.9 15.3 49.6 65 65 A D H X S+ 0 0 43 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.782 106.0 58.9 -65.7 -30.1 30.5 12.4 49.2 66 66 A R H X S+ 0 0 133 -4,-1.4 4,-2.0 -5,-0.2 -1,-0.2 0.951 111.8 40.5 -63.7 -46.6 29.8 12.3 52.9 67 67 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.922 115.7 51.7 -66.8 -43.3 28.5 15.9 52.7 68 68 A Y H X S+ 0 0 28 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.930 110.9 46.2 -60.2 -48.3 26.7 15.3 49.4 69 69 A N H X S+ 0 0 87 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.898 111.8 51.6 -63.4 -41.0 24.8 12.2 50.6 70 70 A W H X S+ 0 0 40 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.932 111.2 49.5 -59.8 -47.8 23.8 13.9 53.9 71 71 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.1 2,-0.2 3,-1.0 0.971 113.3 42.6 -55.8 -59.3 22.5 16.9 51.9 72 72 A V H ><5S+ 0 0 68 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.889 112.4 54.2 -57.9 -42.0 20.4 14.9 49.4 73 73 A Q H 3<5S+ 0 0 158 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.715 110.1 48.4 -64.4 -25.6 19.0 12.6 52.1 74 74 A N T <<5S- 0 0 60 -4,-1.2 -1,-0.3 -3,-1.0 -2,-0.2 0.197 124.6 -99.0-102.4 18.0 17.9 15.6 54.1 75 75 A G T < 5S+ 0 0 58 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.816 78.7 130.5 72.5 34.2 16.1 17.4 51.2 76 76 A K < - 0 0 14 -5,-2.1 -36,-0.3 -6,-0.1 -1,-0.2 -0.919 49.5-137.9-120.7 144.2 18.9 19.9 50.3 77 77 A Q E -c 40 0A 115 -38,-2.2 -36,-2.2 -2,-0.4 2,-0.3 -0.424 28.7-126.2 -84.4 174.7 20.4 20.8 46.9 78 78 A V E -c 41 0A 1 41,-0.2 43,-1.7 -38,-0.2 44,-1.1 -0.952 11.2-152.5-131.0 146.5 24.2 21.3 46.8 79 79 A R E -cd 42 122A 1 -38,-2.4 -36,-0.7 -2,-0.3 2,-0.4 -0.962 26.3-131.8-113.9 124.3 26.6 24.0 45.6 80 80 A G E - d 0 123A 0 42,-3.6 44,-2.6 -2,-0.5 2,-0.3 -0.685 20.1-144.3 -79.9 133.9 30.0 22.7 44.5 81 81 A H E - d 0 124A 4 -2,-0.4 -34,-0.5 1,-0.2 44,-0.1 -0.898 54.3 -12.8-144.4 102.9 32.9 24.6 45.9 82 82 A T E + 0 0 0 42,-0.6 -1,-0.2 -2,-0.3 43,-0.2 0.720 36.1 167.4-164.7 150.5 35.3 25.0 44.1 83 83 A L E S+ 0 0 2 41,-2.0 2,-0.4 1,-0.2 43,-0.2 0.870 83.0 22.1 -83.0 -44.8 37.1 23.9 40.9 84 84 A A E S+ d 0 126A 3 41,-1.8 43,-2.1 40,-0.3 2,-0.3 -0.994 70.8 151.1-130.1 127.7 40.0 26.4 40.2 85 85 A W - 0 0 18 -2,-0.4 43,-0.1 41,-0.2 44,-0.1 -0.991 47.4-137.8-157.1 143.0 41.5 28.5 42.9 86 86 A H S S+ 0 0 57 41,-0.5 3,-0.4 -2,-0.3 2,-0.2 0.711 89.1 73.8 -71.9 -21.8 44.8 30.1 43.6 87 87 A S S S+ 0 0 41 1,-0.2 -38,-0.2 40,-0.2 -2,-0.1 -0.647 96.1 10.2-101.7 152.6 44.4 29.1 47.3 88 88 A Q S S+ 0 0 73 -2,-0.2 -38,-1.1 1,-0.2 -1,-0.2 0.819 76.7 163.8 55.2 36.8 44.6 25.7 49.0 89 89 A Q - 0 0 10 -3,-0.4 -1,-0.2 -40,-0.1 5,-0.1 -0.586 45.9-103.7 -80.0 142.1 46.1 24.0 46.0 90 90 A P >> - 0 0 11 0, 0.0 4,-1.4 0, 0.0 3,-1.3 -0.379 33.9-108.0 -64.7 153.1 47.7 20.6 46.8 91 91 A G H 3> S+ 0 0 46 1,-0.3 4,-1.3 2,-0.2 3,-0.3 0.847 118.4 59.6 -48.3 -40.4 51.5 20.8 46.9 92 92 A W H 34 S+ 0 0 37 -38,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.863 106.7 48.0 -59.0 -34.8 51.8 18.8 43.7 93 93 A M H X4 S+ 0 0 3 -3,-1.3 3,-0.7 1,-0.2 -1,-0.2 0.775 103.3 59.6 -77.2 -27.9 49.9 21.5 41.9 94 94 A Q H 3< S+ 0 0 125 -4,-1.4 2,-0.4 -3,-0.3 -1,-0.2 0.792 97.1 64.4 -70.5 -23.3 52.0 24.3 43.4 95 95 A S T 3< S+ 0 0 101 -4,-1.3 2,-0.3 -3,-0.2 -1,-0.3 -0.194 96.0 78.3 -91.2 40.2 54.9 22.6 41.7 96 96 A L < + 0 0 32 -3,-0.7 2,-0.3 -2,-0.4 3,-0.0 -0.950 47.1 159.7-144.3 163.7 53.5 23.3 38.2 97 97 A S >> + 0 0 73 -2,-0.3 4,-1.2 49,-0.0 3,-1.0 -0.957 45.9 20.3-170.2 172.4 53.1 26.2 35.8 98 98 A G H >> S- 0 0 33 44,-0.3 4,-2.2 -2,-0.3 3,-1.4 0.007 121.4 -12.8 54.6-156.9 52.5 26.9 32.1 99 99 A S H 3> S+ 0 0 102 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.716 136.9 58.0 -43.4 -35.9 50.8 24.3 29.9 100 100 A T H <> S+ 0 0 64 -3,-1.0 4,-2.0 2,-0.2 -1,-0.3 0.905 109.7 43.1 -66.1 -42.5 51.4 21.6 32.5 101 101 A L H < S+ 0 0 34 -4,-1.3 3,-0.8 -5,-0.4 -1,-0.2 0.926 106.3 48.2 -67.7 -43.1 32.5 13.9 36.2 115 115 A H H 3< S+ 0 0 65 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.891 123.2 33.9 -62.7 -38.7 32.1 12.2 39.6 116 116 A Y T >< S+ 0 0 0 -4,-1.8 3,-2.3 -5,-0.1 4,-0.5 0.231 84.9 154.1-102.3 12.3 29.3 14.6 40.5 117 117 A K T < S+ 0 0 117 -3,-0.8 45,-0.1 -4,-0.4 -3,-0.1 -0.102 71.3 3.1 -47.8 130.6 27.7 15.0 37.0 118 118 A G T 3 S+ 0 0 52 2,-0.2 -1,-0.3 1,-0.1 -4,-0.1 0.362 117.5 78.3 75.5 -3.6 24.1 15.8 37.1 119 119 A K < + 0 0 96 -3,-2.3 2,-0.5 -42,-0.0 -41,-0.2 0.407 69.7 81.5-120.5 7.8 23.8 16.1 40.8 120 120 A I - 0 0 6 -4,-0.5 46,-0.2 1,-0.1 -2,-0.2 -0.946 58.8-157.4-113.3 126.2 25.3 19.5 41.8 121 121 A A S S+ 0 0 29 -43,-1.7 45,-2.2 -2,-0.5 2,-0.3 0.905 76.8 5.5 -69.5 -44.7 23.0 22.5 41.3 122 122 A Q E -de 79 166A 7 -44,-1.1 -42,-3.6 43,-0.2 2,-0.4 -0.994 65.0-154.1-141.5 146.8 25.7 25.2 41.0 123 123 A W E -de 80 167A 0 43,-2.7 45,-3.1 -2,-0.3 2,-1.3 -0.962 17.5-139.4-123.1 136.5 29.4 25.0 40.8 124 124 A D E +de 81 168A 0 -44,-2.6 -41,-2.0 -2,-0.4 -42,-0.6 -0.834 32.8 176.6 -89.6 92.1 31.8 27.8 41.9 125 125 A V E + 0 0 0 43,-1.8 -41,-1.8 -2,-1.3 2,-0.5 0.967 66.0 22.3 -65.6 -54.5 34.0 27.1 38.8 126 126 A V E S-de 84 169A 0 42,-0.9 44,-2.5 -3,-0.2 2,-0.4 -0.966 76.2-163.3-119.2 131.8 36.5 29.9 39.4 127 127 A N E - e 0 170A 1 -43,-2.1 -41,-0.5 -2,-0.5 44,-0.2 -0.942 60.5 -15.0-118.9 134.5 37.0 31.3 42.9 128 128 A E + 0 0 22 42,-2.3 -42,-0.2 -2,-0.4 -1,-0.2 0.800 69.1 152.3 44.7 57.2 38.7 34.6 43.9 129 129 A A + 0 0 4 41,-0.3 10,-2.7 -3,-0.1 2,-0.2 0.578 47.7 82.2 -87.7 -15.2 40.5 35.5 40.6 130 130 A F B S-J 138 0C 8 8,-0.3 8,-0.3 1,-0.1 2,-0.1 -0.612 77.5-113.4 -95.9 157.2 40.5 39.3 41.1 131 131 A S - 0 0 16 6,-3.2 5,-0.2 -2,-0.2 3,-0.2 -0.418 2.9-149.4 -84.7 160.3 42.9 41.4 43.2 132 132 A D S S+ 0 0 74 1,-0.1 -1,-0.1 -2,-0.1 49,-0.1 0.390 73.9 101.1-106.2 -0.5 42.2 43.5 46.3 133 133 A D S S- 0 0 114 4,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.297 100.6-106.7 -70.0 9.2 44.9 46.1 45.4 134 134 A G S S+ 0 0 56 -3,-0.2 -1,-0.1 3,-0.1 -2,-0.1 0.520 97.5 105.8 78.4 6.2 42.2 48.5 44.1 135 135 A S S S- 0 0 74 2,-0.1 3,-0.1 3,-0.0 -3,-0.1 0.784 77.9-136.5 -87.0 -29.4 43.2 47.9 40.5 136 136 A G + 0 0 14 1,-0.3 2,-0.2 -5,-0.2 -4,-0.1 0.733 65.5 124.6 77.7 19.2 40.2 45.9 39.6 137 137 A G - 0 0 27 1,-0.1 -6,-3.2 47,-0.0 -1,-0.3 -0.603 69.6 -80.7-105.8 171.6 42.7 43.6 37.9 138 138 A R B -J 130 0C 54 -8,-0.3 -8,-0.3 -2,-0.2 2,-0.3 -0.281 46.6-106.9 -71.5 154.8 43.3 39.9 38.3 139 139 A R - 0 0 47 -10,-2.7 2,-0.8 -8,-0.1 5,-0.2 -0.627 33.7-110.7 -83.7 141.1 45.4 38.5 41.1 140 140 A D + 0 0 128 -2,-0.3 2,-0.3 4,-0.1 -1,-0.1 -0.655 58.7 150.5 -73.2 107.2 48.8 37.2 40.1 141 141 A S > - 0 0 8 -2,-0.8 4,-2.4 -12,-0.1 5,-0.2 -0.885 63.3-103.7-132.7 167.5 48.6 33.5 40.6 142 142 A N H > S+ 0 0 19 -2,-0.3 4,-0.5 1,-0.2 -44,-0.3 0.844 125.2 52.1 -60.0 -29.7 50.2 30.5 39.1 143 143 A L H >> S+ 0 0 2 2,-0.2 3,-1.4 1,-0.2 4,-0.6 0.945 108.3 47.8 -71.5 -47.7 46.9 30.0 37.2 144 144 A Q H >4 S+ 0 0 32 1,-0.3 3,-0.8 -5,-0.2 -2,-0.2 0.839 107.5 59.2 -62.5 -32.4 46.8 33.6 35.9 145 145 A R H 3< S+ 0 0 148 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.671 93.8 63.6 -71.8 -17.4 50.4 33.1 34.8 146 146 A T H << S- 0 0 27 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.729 128.9 -49.4 -76.2 -23.9 49.4 30.2 32.6 147 147 A G X< - 0 0 20 -3,-0.8 3,-2.2 -4,-0.6 -1,-0.3 -0.429 42.7-111.7 153.4 135.4 47.4 32.6 30.5 148 148 A N T > S+ 0 0 97 1,-0.3 3,-0.6 -2,-0.1 4,-0.3 0.734 112.5 64.5 -54.6 -24.4 44.7 35.3 31.0 149 149 A D T 3> + 0 0 76 1,-0.2 4,-2.8 2,-0.1 -1,-0.3 0.351 69.8 102.5 -84.2 7.5 42.1 33.0 29.3 150 150 A W H <> S+ 0 0 4 -3,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.872 78.5 52.9 -59.4 -37.6 42.3 30.4 32.0 151 151 A I H <> S+ 0 0 0 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.954 112.6 44.1 -62.9 -48.6 39.0 31.6 33.6 152 152 A E H > S+ 0 0 39 -4,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.904 113.4 51.4 -61.1 -44.4 37.3 31.3 30.2 153 153 A V H X S+ 0 0 27 -4,-2.8 4,-3.1 2,-0.2 -1,-0.2 0.918 108.3 52.6 -58.5 -45.1 38.9 27.9 29.6 154 154 A A H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.938 111.2 45.5 -59.6 -47.7 37.8 26.7 33.0 155 155 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.885 113.7 48.9 -64.5 -39.1 34.1 27.7 32.3 156 156 A R H X S+ 0 0 108 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.955 113.2 47.7 -65.5 -44.7 34.2 26.1 28.9 157 157 A T H X S+ 0 0 20 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.945 113.1 49.5 -59.0 -46.1 35.7 22.9 30.3 158 158 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.913 107.2 52.9 -59.2 -48.7 33.1 22.9 33.1 159 159 A R H < S+ 0 0 72 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.892 111.5 47.5 -55.5 -42.8 30.2 23.4 30.7 160 160 A A H < S+ 0 0 79 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.920 110.2 51.9 -65.7 -44.2 31.4 20.4 28.7 161 161 A A H < S+ 0 0 9 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.840 132.3 3.5 -62.6 -39.1 31.9 18.2 31.8 162 162 A D >< + 0 0 2 -4,-2.2 3,-1.1 -5,-0.2 -1,-0.2 -0.635 58.7 179.6-153.9 92.8 28.4 18.8 33.2 163 163 A P T 3 S+ 0 0 92 0, 0.0 4,-0.1 0, 0.0 -4,-0.1 0.609 79.9 68.3 -69.1 -12.6 25.9 20.9 31.2 164 164 A A T 3 S+ 0 0 76 2,-0.1 2,-0.2 -5,-0.0 -5,-0.1 0.757 85.8 84.0 -78.9 -23.6 23.2 20.4 33.9 165 165 A A S < S- 0 0 2 -3,-1.1 2,-0.4 -7,-0.2 -43,-0.2 -0.507 80.6-122.4 -84.9 145.5 25.0 22.5 36.5 166 166 A K E -e 122 0A 80 -45,-2.2 -43,-2.7 -2,-0.2 2,-0.6 -0.739 28.5-142.1 -83.2 131.4 24.8 26.3 36.8 167 167 A L E -e 123 0A 0 -2,-0.4 33,-2.4 -45,-0.2 34,-1.9 -0.892 23.2-175.6-102.0 119.9 28.4 27.6 36.5 168 168 A a E -ef 124 201A 0 -45,-3.1 -43,-1.8 -2,-0.6 -42,-0.9 -0.807 26.6-137.8-116.3 157.1 29.2 30.5 38.7 169 169 A Y E -ef 126 202A 0 32,-1.6 34,-2.9 -2,-0.3 2,-0.4 -0.945 30.3-157.5-106.3 128.9 32.1 32.9 39.3 170 170 A N E +ef 127 203A 0 -44,-2.5 -42,-2.3 -2,-0.5 -41,-0.3 -0.897 22.9 144.9-116.9 137.4 32.6 33.4 43.0 171 171 A D E - f 0 204A 0 32,-1.5 34,-2.4 -2,-0.4 35,-0.3 -0.991 33.9-128.9-162.2 160.7 34.4 36.3 44.8 172 172 A Y S S+ 0 0 47 -2,-0.3 31,-0.0 1,-0.2 32,-0.0 -0.739 85.4 33.8-110.9 165.1 34.4 38.6 47.9 173 173 A N S S+ 0 0 35 -2,-0.3 9,-0.3 34,-0.1 8,-0.2 0.802 85.7 105.7 58.3 33.4 34.6 42.3 48.1 174 174 A I + 0 0 0 -3,-0.3 -1,-0.1 7,-0.1 -2,-0.1 0.015 52.1 91.0-123.0 21.0 32.5 42.7 44.9 175 175 A E + 0 0 3 1,-0.1 2,-0.6 46,-0.0 46,-0.3 0.813 67.8 73.3 -87.9 -34.7 29.4 43.7 46.8 176 176 A N S > S- 0 0 17 1,-0.1 3,-1.7 45,-0.1 6,-0.3 -0.752 73.7-147.3 -85.7 118.5 29.9 47.5 46.8 177 177 A W T 3 S+ 0 0 62 -2,-0.6 -1,-0.1 1,-0.3 6,-0.1 0.823 94.2 58.1 -54.3 -34.6 29.2 48.8 43.2 178 178 A T T 3 S+ 0 0 102 4,-0.1 -1,-0.3 -3,-0.1 2,-0.1 0.661 81.6 109.4 -73.9 -15.3 31.7 51.6 43.5 179 179 A W S <> S- 0 0 66 -3,-1.7 4,-1.9 1,-0.1 3,-0.2 -0.338 71.9-132.9 -67.4 141.0 34.6 49.3 44.3 180 180 A A H > S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.847 108.7 54.0 -59.7 -32.3 37.3 48.8 41.6 181 181 A K H > S+ 0 0 12 2,-0.2 4,-2.3 -8,-0.2 -1,-0.2 0.892 104.2 52.7 -70.4 -39.0 37.1 45.1 42.1 182 182 A T H > S+ 0 0 0 -6,-0.3 4,-2.7 -9,-0.3 -2,-0.2 0.913 111.5 48.0 -61.6 -42.0 33.3 44.9 41.6 183 183 A Q H X S+ 0 0 54 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.884 108.1 54.7 -65.4 -42.0 33.8 46.8 38.3 184 184 A G H X S+ 0 0 12 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.936 112.9 41.6 -58.8 -48.3 36.6 44.4 37.2 185 185 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.935 113.1 53.5 -65.7 -46.7 34.4 41.4 37.7 186 186 A Y H X S+ 0 0 40 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.950 108.4 50.4 -52.8 -51.7 31.4 43.1 36.1 187 187 A N H X S+ 0 0 79 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.857 109.7 50.9 -57.3 -35.8 33.4 43.9 33.0 188 188 A M H X S+ 0 0 13 -4,-1.6 4,-3.0 2,-0.2 -1,-0.2 0.926 111.9 45.1 -68.7 -44.5 34.6 40.3 32.8 189 189 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.892 111.9 54.0 -65.1 -39.9 31.1 38.8 33.0 190 190 A R H X S+ 0 0 98 -4,-2.7 4,-1.8 -5,-0.3 -2,-0.2 0.955 112.0 44.3 -56.1 -52.1 29.9 41.5 30.5 191 191 A D H X S+ 0 0 56 -4,-2.3 4,-2.7 1,-0.2 3,-0.2 0.943 111.9 52.5 -58.9 -51.3 32.7 40.4 28.1 192 192 A F H <>S+ 0 0 3 -4,-3.0 5,-2.6 1,-0.3 4,-0.3 0.888 110.3 47.7 -53.4 -46.3 32.0 36.7 28.6 193 193 A K H ><5S+ 0 0 83 -4,-2.7 3,-0.5 3,-0.2 -1,-0.3 0.836 111.3 51.3 -66.9 -32.6 28.3 37.1 27.9 194 194 A Q H 3<5S+ 0 0 136 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.887 116.0 41.1 -68.9 -41.2 29.2 39.1 24.7 195 195 A R T 3<5S- 0 0 108 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.309 115.2-113.3 -90.6 8.3 31.6 36.4 23.5 196 196 A G T < 5 + 0 0 50 -3,-0.5 -3,-0.2 -4,-0.3 -4,-0.1 0.666 54.4 164.2 70.3 16.2 29.3 33.5 24.5 197 197 A V < - 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0 0 68 -2,-0.7 2,-0.5 -6,-0.2 -6,-0.3 -0.669 6.2-166.3 -87.5 138.6 50.4 19.4 105.7 489 560 B N + 0 0 75 -8,-2.6 4,-0.2 -2,-0.3 3,-0.1 -0.962 16.7 166.1-128.8 113.5 51.6 20.4 102.2 490 561 B F > + 0 0 31 -2,-0.5 4,-2.9 1,-0.1 5,-0.2 0.289 45.4 106.7-109.8 12.1 52.6 24.0 101.5 491 562 B S H > S+ 0 0 60 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.925 86.9 39.7 -57.5 -48.3 54.3 23.6 98.2 492 563 B A H > S+ 0 0 24 -12,-0.2 4,-1.4 2,-0.2 3,-0.2 0.918 116.6 49.3 -68.8 -44.4 51.5 25.2 96.1 493 564 B G H > S+ 0 0 1 -18,-0.4 4,-2.6 -4,-0.2 3,-0.2 0.905 109.6 52.9 -62.4 -40.8 50.7 27.9 98.7 494 565 B D H X S+ 0 0 41 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.781 101.7 58.4 -66.6 -30.1 54.4 28.9 99.0 495 566 B R H X S+ 0 0 132 -4,-1.2 4,-1.2 -3,-0.2 -1,-0.2 0.885 111.5 42.5 -65.4 -37.2 54.7 29.3 95.2 496 567 B V H X S+ 0 0 0 -4,-1.4 4,-2.1 -3,-0.2 -2,-0.2 0.931 117.4 47.7 -72.0 -44.0 51.9 31.9 95.4 497 568 B Y H X S+ 0 0 34 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.915 110.3 49.3 -61.1 -51.9 53.5 33.4 98.6 498 569 B N H X S+ 0 0 96 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.884 112.0 49.0 -56.2 -46.6 57.1 33.6 97.3 499 570 B W H X S+ 0 0 39 -4,-1.2 4,-1.9 -5,-0.3 -1,-0.2 0.933 109.6 53.5 -58.3 -48.9 56.0 35.3 94.1 500 571 B A H <>S+ 0 0 0 -4,-2.1 5,-3.1 1,-0.2 -2,-0.2 0.909 114.0 39.8 -55.6 -47.0 53.9 37.8 96.0 501 572 B V H ><5S+ 0 0 65 -4,-2.2 3,-1.3 3,-0.2 -1,-0.2 0.812 110.4 57.0 -76.6 -30.2 56.8 38.9 98.3 502 573 B Q H 3<5S+ 0 0 166 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.885 112.6 45.2 -64.6 -34.3 59.4 38.9 95.5 503 574 B N T 3<5S- 0 0 60 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.091 122.0-105.7 -97.1 20.5 57.0 41.4 93.8 504 575 B G T < 5S+ 0 0 65 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.768 72.8 134.8 62.9 35.2 56.3 43.5 96.8 505 576 B K < - 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0 0 22 -3,-1.1 3,-2.0 -4,-0.4 -1,-0.3 -0.401 42.4 -90.5 137.3 149.2 28.0 22.9 117.5 577 648 B N T > S+ 0 0 97 1,-0.3 3,-0.7 -2,-0.1 4,-0.3 0.738 116.5 66.3 -56.8 -26.2 27.1 26.5 117.0 578 649 B D T 3> + 0 0 74 1,-0.2 4,-2.8 2,-0.1 -1,-0.3 0.433 68.8 100.4 -79.4 1.5 30.3 27.7 118.7 579 650 B W H <> S+ 0 0 5 -3,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.856 81.7 50.4 -58.3 -36.3 32.6 26.3 115.9 580 651 B I H <> S+ 0 0 0 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.950 112.2 46.4 -66.0 -47.2 33.0 29.7 114.3 581 652 B E H > S+ 0 0 37 -4,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.908 112.9 51.0 -59.8 -44.9 34.0 31.3 117.7 582 653 B V H X S+ 0 0 31 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.900 106.7 53.5 -61.7 -41.6 36.3 28.4 118.4 583 654 B A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.919 112.0 45.6 -61.0 -41.8 38.0 28.8 115.0 584 655 B F H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.937 111.6 49.9 -68.0 -47.0 38.7 32.5 115.7 585 656 B R H X S+ 0 0 110 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.906 113.3 48.8 -58.1 -39.2 39.9 31.9 119.2 586 657 B T H X S+ 0 0 20 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.931 110.9 49.1 -65.1 -46.5 42.3 29.3 117.8 587 658 B A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.865 105.0 57.9 -62.6 -39.8 43.6 31.5 115.0 588 659 B R H < S+ 0 0 68 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.901 110.5 43.3 -59.9 -40.0 44.3 34.4 117.3 589 660 B A H < S+ 0 0 83 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.827 110.6 55.4 -74.2 -32.9 46.6 32.3 119.4 590 661 B A H < S- 0 0 16 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.893 133.9 -0.2 -67.4 -40.1 48.3 30.7 116.3 591 662 B D >< + 0 0 1 -4,-2.1 3,-1.1 -5,-0.1 -1,-0.3 -0.739 60.8 179.8-153.8 93.4 49.2 34.1 114.9 592 663 B P T 3 S+ 0 0 85 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.567 79.7 70.3 -72.5 -7.1 48.2 37.2 116.8 593 664 B A T 3 S+ 0 0 78 2,-0.1 2,-0.2 -5,-0.0 -5,-0.1 0.641 83.5 87.3 -83.4 -16.0 49.8 39.3 114.1 594 665 B A S < S- 0 0 3 -3,-1.1 2,-0.4 -7,-0.2 -43,-0.2 -0.593 79.4-123.7 -90.3 144.2 47.2 38.5 111.5 595 666 B K E -d 551 0I 81 -45,-2.2 -43,-2.2 -2,-0.2 2,-0.6 -0.729 31.3-143.1 -79.3 130.7 43.9 40.4 111.0 596 667 B L E -d 552 0I 0 -2,-0.4 33,-3.0 -45,-0.2 34,-1.7 -0.903 21.4-172.8-104.8 118.3 41.2 37.7 111.3 597 668 B f E -de 553 630I 0 -45,-3.1 -43,-2.2 -2,-0.6 -42,-0.9 -0.778 26.3-142.2-113.1 151.8 38.2 38.0 109.0 598 669 B Y E -de 555 631I 0 32,-1.8 34,-3.3 -2,-0.3 2,-0.4 -0.907 31.4-161.0 -99.6 137.4 34.9 36.3 108.5 599 670 B N E +de 556 632I 0 -44,-2.1 -42,-2.5 -2,-0.5 2,-0.3 -0.973 21.3 145.2-128.3 134.1 34.2 36.1 104.7 600 671 B D E - 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