==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-SEP-05 2D23 . COMPND 2 MOLECULE: ENDO-1,4-BETA-D-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES OLIVACEOVIRIDIS; . AUTHOR R.SUZUKI,A.KUNO,Z.FUJIMOTO,S.ITO,S.I.KAWAHARA,S.KANEKO,T.HAS . 854 4 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29557.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 594 69.6 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 . 94 11.0 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 . 50 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 6 0 2 0 0 2 4 0 5 1 0 0 2 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 . 18 5 4 3 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 0 100 0, 0.0 10,-0.2 0, 0.0 9,-0.0 0.000 360.0 360.0 360.0 139.1 5.7 25.9 54.4 2 2 A E + 0 0 108 8,-0.1 299,-0.1 7,-0.0 3,-0.0 0.262 360.0 89.7-156.3 22.9 7.3 28.8 56.2 3 3 A S S S+ 0 0 88 1,-0.0 2,-0.3 298,-0.0 294,-0.1 0.492 89.7 50.8 -99.5 -6.2 8.7 27.9 59.6 4 4 A T S > S- 0 0 26 1,-0.1 4,-2.4 293,-0.1 5,-0.2 -0.948 85.2-118.2-130.3 153.0 12.2 27.0 58.2 5 5 A L H > S+ 0 0 0 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.915 110.2 45.9 -55.3 -52.8 14.5 28.9 55.9 6 6 A G H > S+ 0 0 2 31,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.944 114.8 47.0 -57.8 -50.9 14.6 26.5 53.0 7 7 A A H > S+ 0 0 26 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.882 112.8 50.2 -58.9 -40.6 10.8 26.0 52.9 8 8 A A H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.2 4,-0.3 0.913 110.5 48.7 -66.1 -42.4 10.3 29.7 53.1 9 9 A A H ><>S+ 0 0 1 -4,-2.5 5,-2.0 1,-0.2 3,-1.9 0.879 103.0 63.2 -63.4 -37.1 12.7 30.4 50.2 10 10 A A H ><5S+ 0 0 51 -4,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.732 85.3 75.3 -60.2 -23.0 10.9 27.7 48.2 11 11 A Q T <<5S+ 0 0 88 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.763 104.2 37.1 -61.6 -25.1 7.7 29.8 48.3 12 12 A S T < 5S- 0 0 54 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.108 127.1 -97.8-112.9 19.8 9.3 32.1 45.7 13 13 A G T < 5S+ 0 0 70 -3,-1.9 -3,-0.2 1,-0.2 2,-0.2 0.684 90.0 110.2 75.2 19.4 11.0 29.2 43.8 14 14 A R < - 0 0 38 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.2 -0.466 56.8-130.6-113.7-173.8 14.4 29.7 45.5 15 15 A Y E -a 262 0A 15 246,-0.8 248,-1.7 -2,-0.2 2,-0.4 -0.865 0.8-147.8-133.5 166.0 16.5 27.8 48.0 16 16 A F E +a 263 0A 0 -2,-0.3 23,-2.1 246,-0.2 24,-0.6 -0.953 32.4 171.7-136.8 115.2 18.4 28.7 51.2 17 17 A G E -ab 264 40A 0 246,-2.6 248,-2.6 -2,-0.4 2,-0.3 -0.577 20.0-155.4-120.6-176.3 21.5 26.7 51.8 18 18 A T E -ab 265 41A 1 22,-1.7 24,-1.7 246,-0.3 2,-0.5 -0.861 31.5 -96.7-146.0 176.6 24.6 26.3 53.9 19 19 A A E - b 0 42A 0 246,-0.6 2,-0.5 -2,-0.3 24,-0.2 -0.903 38.3-150.8-102.4 128.6 28.1 24.9 53.8 20 20 A I E - b 0 43A 0 22,-2.8 24,-2.3 -2,-0.5 2,-0.6 -0.877 3.9-153.0-106.1 133.4 28.4 21.4 55.2 21 21 A A > - 0 0 7 -2,-0.5 3,-2.2 22,-0.2 4,-0.4 -0.913 9.8-147.5-104.0 120.2 31.6 20.0 56.8 22 22 A S G > S+ 0 0 23 -2,-0.6 3,-1.5 1,-0.3 4,-0.2 0.839 96.6 64.0 -54.2 -35.5 31.9 16.2 56.6 23 23 A G G 3 S+ 0 0 75 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.613 102.4 50.0 -66.3 -11.1 33.7 16.1 59.9 24 24 A K G X S+ 0 0 56 -3,-2.2 3,-2.0 1,-0.1 7,-0.3 0.416 78.1 95.4-107.0 0.1 30.5 17.5 61.6 25 25 A L T < S+ 0 0 34 -3,-1.5 -1,-0.1 -4,-0.4 -2,-0.1 0.625 82.3 59.2 -66.9 -9.4 28.0 15.0 60.2 26 26 A G T 3 S+ 0 0 75 -3,-0.2 2,-0.8 -4,-0.2 -1,-0.3 0.511 83.0 96.5 -93.9 -6.4 28.5 13.0 63.3 27 27 A D <> - 0 0 62 -3,-2.0 4,-2.7 1,-0.2 5,-0.3 -0.770 61.1-160.8 -87.5 108.8 27.3 15.9 65.5 28 28 A S H > S+ 0 0 90 -2,-0.8 4,-1.9 1,-0.2 5,-0.2 0.855 91.1 50.7 -57.6 -41.5 23.6 15.4 66.2 29 29 A A H > S+ 0 0 52 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.909 112.9 48.4 -63.9 -41.1 23.0 19.1 67.2 30 30 A Y H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.956 114.7 41.8 -63.4 -55.1 24.7 20.1 63.9 31 31 A T H X S+ 0 0 27 -4,-2.7 4,-2.5 -7,-0.3 5,-0.3 0.785 108.2 61.9 -67.4 -26.3 22.8 17.8 61.6 32 32 A T H X S+ 0 0 77 -4,-1.9 4,-1.2 -5,-0.3 -1,-0.2 0.937 112.7 36.3 -63.9 -45.3 19.5 18.5 63.4 33 33 A I H X S+ 0 0 8 -4,-1.5 4,-2.7 2,-0.2 5,-0.3 0.957 118.9 49.9 -70.4 -51.4 19.7 22.2 62.5 34 34 A A H X S+ 0 0 1 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.874 112.3 44.9 -56.6 -45.8 21.2 21.6 59.0 35 35 A S H < S+ 0 0 43 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.856 118.2 45.4 -69.8 -32.8 18.7 19.0 57.8 36 36 A R H < S+ 0 0 99 -4,-1.2 -2,-0.2 -5,-0.3 -1,-0.2 0.877 119.1 35.5 -76.8 -41.0 15.8 21.0 59.1 37 37 A E H < S+ 0 0 0 -4,-2.7 -31,-2.4 -5,-0.1 2,-0.3 0.722 106.5 58.2 -91.2 -24.7 16.7 24.5 57.9 38 38 A F < - 0 0 5 -4,-1.5 -21,-0.2 -5,-0.3 3,-0.1 -0.837 38.5-177.5-117.6 148.9 18.4 24.2 54.5 39 39 A N S S+ 0 0 40 -23,-2.1 38,-2.0 -2,-0.3 2,-0.3 0.161 75.8 57.8-123.9 18.4 17.5 22.8 51.1 40 40 A M E -bc 17 77A 2 -24,-0.6 -22,-1.7 36,-0.3 2,-0.4 -0.983 65.7-164.3-146.5 135.9 20.8 23.4 49.3 41 41 A V E -bc 18 78A 0 36,-2.2 38,-2.7 -2,-0.3 2,-0.4 -0.961 10.9-171.4-129.1 141.8 24.3 22.2 50.3 42 42 A T E -bc 19 79A 1 -24,-1.7 -22,-2.8 -2,-0.4 2,-0.4 -0.995 32.2-120.8-126.6 132.7 27.8 23.1 49.4 43 43 A A E -b 20 0A 0 36,-0.7 4,-0.2 -2,-0.4 -22,-0.2 -0.636 18.5-144.9 -73.1 124.8 30.7 21.0 50.6 44 44 A E S S- 0 0 20 -24,-2.3 -1,-0.2 -2,-0.4 -23,-0.1 0.858 84.5 -22.8 -61.7 -34.0 32.9 23.4 52.6 45 45 A N S > S+ 0 0 61 -25,-0.4 3,-2.1 18,-0.1 6,-0.3 0.479 113.1 95.5-147.7 -23.9 36.1 21.6 51.4 46 46 A E T 3 S+ 0 0 16 1,-0.3 18,-0.4 17,-0.2 19,-0.1 0.582 90.8 43.4 -54.9 -18.2 35.3 18.1 50.3 47 47 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 -3,-0.0 0.287 86.8 115.3-113.4 11.3 34.9 18.8 46.6 48 48 A K S <> S- 0 0 15 -3,-2.1 4,-1.9 1,-0.1 5,-0.2 -0.255 82.0 -97.8 -73.8 167.3 37.9 21.1 46.3 49 49 A I H > S+ 0 0 3 33,-0.3 4,-2.5 38,-0.3 3,-0.2 0.908 120.5 46.7 -53.4 -52.7 40.9 20.1 44.0 50 50 A D H 4 S+ 0 0 61 38,-1.4 -1,-0.2 1,-0.2 39,-0.1 0.840 114.6 48.7 -62.4 -33.2 43.2 18.7 46.7 51 51 A A H 4 S+ 0 0 34 -6,-0.3 12,-0.3 37,-0.2 -1,-0.2 0.796 118.2 38.4 -77.8 -28.6 40.3 16.7 48.3 52 52 A T H < S+ 0 0 0 -4,-1.9 8,-2.6 -3,-0.2 -2,-0.2 0.715 129.5 26.2 -95.1 -24.8 39.1 15.2 45.0 53 53 A E < + 0 0 3 -4,-2.5 -1,-0.2 6,-0.3 6,-0.2 -0.530 62.2 162.9-139.6 70.9 42.4 14.5 43.3 54 54 A P S S+ 0 0 37 0, 0.0 38,-0.4 0, 0.0 2,-0.4 0.807 79.5 28.9 -57.5 -33.5 45.2 14.0 45.9 55 55 A Q B > S-I 58 0B 110 3,-1.2 3,-3.4 -3,-0.1 36,-0.0 -0.999 106.7 -91.5-131.2 134.3 47.4 12.4 43.3 56 56 A R T 3 S+ 0 0 103 -2,-0.4 3,-0.1 1,-0.3 48,-0.0 -0.137 114.1 3.8 -46.0 126.9 47.2 13.2 39.6 57 57 A G T 3 S+ 0 0 46 1,-0.1 2,-0.8 47,-0.1 -1,-0.3 0.409 109.6 106.3 75.2 -4.8 44.8 10.9 37.9 58 58 A Q B < -I 55 0B 118 -3,-3.4 -3,-1.2 -5,-0.1 2,-0.3 -0.834 55.8-169.1-109.6 92.0 44.1 9.4 41.3 59 59 A F - 0 0 70 -2,-0.8 2,-0.4 -6,-0.2 -6,-0.3 -0.599 10.6-169.6 -86.1 142.7 40.6 10.7 42.3 60 60 A N + 0 0 81 -8,-2.6 4,-0.3 -2,-0.3 3,-0.2 -0.931 14.7 167.7-133.4 107.8 39.2 10.3 45.7 61 61 A F > + 0 0 31 -2,-0.4 4,-2.9 1,-0.1 5,-0.3 0.116 44.9 111.9-105.8 19.8 35.5 11.1 46.2 62 62 A S H > S+ 0 0 71 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.961 86.3 31.6 -56.4 -58.9 35.2 9.6 49.6 63 63 A A H > S+ 0 0 26 -12,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.864 120.2 53.6 -69.8 -37.9 34.6 12.9 51.5 64 64 A G H > S+ 0 0 1 -18,-0.4 4,-2.6 -4,-0.3 -2,-0.2 0.920 110.4 45.8 -63.9 -44.3 32.8 14.5 48.6 65 65 A D H X S+ 0 0 42 -4,-2.9 4,-3.2 1,-0.2 5,-0.3 0.822 106.1 59.8 -68.6 -32.3 30.3 11.7 48.2 66 66 A R H X S+ 0 0 119 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.2 0.909 112.0 40.0 -63.2 -39.8 29.7 11.6 52.0 67 67 A V H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.943 116.2 50.2 -72.6 -48.9 28.5 15.2 51.8 68 68 A Y H X S+ 0 0 29 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.908 112.3 47.1 -56.1 -45.7 26.6 14.8 48.5 69 69 A N H X S+ 0 0 78 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.913 110.6 51.6 -65.1 -42.1 24.8 11.7 49.8 70 70 A W H X S+ 0 0 37 -4,-1.7 4,-1.2 -5,-0.3 -1,-0.2 0.926 111.5 49.5 -59.5 -43.8 23.9 13.4 53.1 71 71 A A H ><>S+ 0 0 0 -4,-2.6 5,-2.8 2,-0.2 3,-0.8 0.977 115.3 39.5 -59.4 -59.9 22.5 16.3 51.1 72 72 A V H ><5S+ 0 0 67 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.890 113.0 55.8 -59.7 -41.1 20.3 14.4 48.7 73 73 A Q H 3<5S+ 0 0 156 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.768 111.9 45.3 -63.3 -24.0 19.2 11.9 51.4 74 74 A N T <<5S- 0 0 66 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.132 125.8 -97.2-106.5 19.5 18.0 14.9 53.4 75 75 A G T < 5S+ 0 0 59 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.720 80.0 128.5 77.0 24.1 16.2 16.7 50.5 76 76 A K < - 0 0 13 -5,-2.8 -36,-0.3 -6,-0.2 -1,-0.2 -0.885 49.7-139.0-114.7 144.0 18.9 19.2 49.5 77 77 A Q E -c 40 0A 117 -38,-2.0 -36,-2.2 -2,-0.4 2,-0.4 -0.309 28.9-122.5 -82.3 179.8 20.4 19.9 46.1 78 78 A V E -c 41 0A 1 41,-0.3 43,-1.5 -38,-0.2 44,-1.1 -0.983 11.6-152.2-134.3 140.4 24.1 20.5 45.9 79 79 A R E -cd 42 122A 1 -38,-2.7 -36,-0.7 -2,-0.4 2,-0.3 -0.944 28.2-131.7-105.6 122.0 26.4 23.2 44.6 80 80 A G E - d 0 123A 0 42,-3.8 44,-2.8 -2,-0.6 2,-0.3 -0.603 23.3-144.1 -75.6 134.1 29.8 21.8 43.4 81 81 A H E - d 0 124A 3 -2,-0.3 -34,-0.5 1,-0.2 44,-0.1 -0.932 54.8 -11.8-149.9 115.5 32.7 23.8 44.9 82 82 A T E + 0 0 0 42,-0.5 -33,-0.3 -2,-0.3 -1,-0.2 0.688 43.1 164.7-139.6 152.1 35.2 24.2 43.3 83 83 A L E S+ 0 0 1 41,-2.1 2,-0.3 1,-0.2 43,-0.2 0.858 79.4 16.6 -84.5 -38.7 36.7 22.9 40.0 84 84 A A E S+ d 0 126A 2 41,-1.8 43,-1.2 40,-0.4 2,-0.3 -0.881 76.1 116.1-146.2 112.6 39.5 25.3 39.0 85 85 A W - 0 0 10 -2,-0.3 43,-0.1 41,-0.2 -36,-0.1 -0.978 62.3-108.0-164.1 164.5 41.2 27.9 41.1 86 86 A H S > S+ 0 0 53 41,-0.4 3,-0.5 -2,-0.3 2,-0.1 0.745 88.1 84.4 -71.5 -27.8 44.6 28.8 42.6 87 87 A S T 3 S+ 0 0 41 1,-0.2 -38,-0.3 -3,-0.0 -2,-0.2 -0.455 93.1 7.0 -84.9 153.6 43.8 28.0 46.2 88 88 A Q T 3 S+ 0 0 72 1,-0.2 -38,-1.4 -2,-0.1 -1,-0.2 0.811 80.3 165.7 50.1 40.5 44.0 24.6 48.0 89 89 A Q < - 0 0 13 -3,-0.5 -1,-0.2 -40,-0.2 5,-0.0 -0.570 41.2-104.3 -82.8 147.6 45.6 22.9 45.1 90 90 A P > - 0 0 7 0, 0.0 4,-2.1 0, 0.0 3,-0.4 -0.326 34.4-104.6 -69.1 156.0 47.2 19.4 45.7 91 91 A G H > S+ 0 0 51 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.904 119.0 50.6 -45.0 -56.5 51.0 19.2 45.9 92 92 A W H 4 S+ 0 0 44 -38,-0.4 3,-0.3 1,-0.2 -1,-0.2 0.878 112.3 47.5 -53.6 -41.9 51.4 17.6 42.5 93 93 A M H >4 S+ 0 0 3 -3,-0.4 3,-1.5 1,-0.2 -1,-0.2 0.827 104.6 60.0 -70.4 -32.1 49.3 20.3 40.8 94 94 A Q H 3< S+ 0 0 123 -4,-2.1 -1,-0.2 -3,-0.3 -2,-0.2 0.817 103.4 52.3 -64.9 -29.7 51.1 23.1 42.6 95 95 A S T 3< S+ 0 0 94 -4,-1.4 -1,-0.3 -3,-0.3 2,-0.2 0.338 95.8 94.9 -88.4 6.9 54.3 22.0 41.0 96 96 A L < + 0 0 27 -3,-1.5 2,-0.3 4,-0.1 -3,-0.0 -0.599 46.9 163.1 -97.7 161.0 52.7 22.1 37.5 97 97 A S >> + 0 0 74 -2,-0.2 4,-0.9 49,-0.0 3,-0.8 -0.969 38.8 14.1-163.2 171.0 52.8 24.9 34.9 98 98 A G H >> S- 0 0 38 44,-0.3 4,-2.3 -2,-0.3 3,-1.2 -0.088 119.4 -15.1 55.7-151.3 52.2 25.7 31.3 99 99 A S H 3> S+ 0 0 99 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.804 136.7 58.4 -54.8 -33.7 50.5 23.3 28.9 100 100 A T H <> S+ 0 0 72 -3,-0.8 4,-1.4 2,-0.2 -1,-0.3 0.823 108.3 46.4 -68.1 -29.4 50.9 20.4 31.4 101 101 A L H < S+ 0 0 41 -4,-1.6 3,-1.0 -5,-0.5 -1,-0.2 0.921 105.3 51.8 -62.3 -42.1 32.2 13.1 35.3 115 115 A H H 3< S+ 0 0 69 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.881 120.8 33.0 -60.7 -40.2 31.8 11.5 38.7 116 116 A Y T >X S+ 0 0 3 -4,-1.7 3,-2.6 -5,-0.1 4,-0.5 0.171 84.6 159.8-103.3 16.9 28.9 13.7 39.6 117 117 A K T <4 S- 0 0 124 -3,-1.0 45,-0.1 -4,-0.3 -3,-0.1 -0.120 72.6 -0.5 -47.5 123.3 27.4 14.0 36.1 118 118 A G T 34 S+ 0 0 53 2,-0.2 -1,-0.3 1,-0.1 -4,-0.1 0.442 114.7 86.5 77.6 1.2 23.7 15.0 36.2 119 119 A K T <4 + 0 0 112 -3,-2.6 2,-0.5 -42,-0.0 -41,-0.3 0.434 69.7 83.0-110.4 -1.4 23.6 15.2 40.0 120 120 A I < - 0 0 9 -4,-0.5 46,-0.2 1,-0.1 -2,-0.2 -0.905 53.5-164.6-112.0 128.2 24.8 18.8 40.6 121 121 A A S S+ 0 0 24 -43,-1.5 45,-2.1 -2,-0.5 2,-0.3 0.928 80.2 6.4 -71.3 -46.8 22.6 21.8 40.3 122 122 A Q E -de 79 166A 4 -44,-1.1 -42,-3.8 43,-0.2 2,-0.4 -0.994 62.7-157.8-140.3 144.8 25.4 24.3 40.1 123 123 A W E -de 80 167A 0 43,-2.5 45,-3.0 -2,-0.3 2,-1.5 -0.983 17.7-141.4-122.8 131.3 29.2 24.1 39.8 124 124 A D E +de 81 168A 0 -44,-2.8 -41,-2.1 -2,-0.4 -42,-0.5 -0.777 31.3 175.4 -87.6 91.5 31.6 26.8 40.8 125 125 A V E + 0 0 0 -2,-1.5 -41,-1.8 43,-1.5 2,-0.4 0.962 64.6 14.5 -64.2 -52.9 33.8 26.1 37.8 126 126 A V E S+de 84 169A 0 42,-1.0 44,-2.8 -3,-0.2 2,-0.3 -0.957 72.6 171.7-125.7 143.5 36.2 29.0 38.3 127 127 A S E + e 0 170A 0 -43,-1.2 -41,-0.4 -2,-0.4 44,-0.2 -0.981 56.7 20.9-148.4 158.4 36.7 31.1 41.4 128 128 A H S S+ 0 0 28 42,-1.5 -42,-0.2 -2,-0.3 43,-0.1 0.818 70.7 142.5 54.3 36.6 39.0 33.8 42.8 129 129 A A + 0 0 2 41,-0.4 10,-1.9 9,-0.1 2,-0.3 0.625 49.2 71.4 -82.5 -13.6 40.2 34.7 39.4 130 130 A F B S-J 138 0C 7 8,-0.3 8,-0.3 1,-0.1 2,-0.1 -0.774 77.6-117.9-109.8 153.1 40.5 38.4 40.0 131 131 A S - 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0 0 35 -5,-2.4 2,-0.3 -6,-0.1 -1,-0.3 -0.577 56.4-129.8-112.4 175.3 44.1 51.5 99.7 444 515 B Y E -a 691 0J 16 246,-1.1 248,-1.9 -2,-0.2 2,-0.4 -0.793 2.6-150.2-120.6 164.5 45.2 48.5 97.5 445 516 B F E +a 692 0J 1 -2,-0.3 23,-1.9 246,-0.2 24,-0.7 -0.949 30.5 172.3-135.9 113.6 43.9 47.0 94.3 446 517 B G E -ab 693 469J 0 246,-2.8 248,-2.4 -2,-0.4 2,-0.3 -0.552 19.4-155.6-117.6-177.3 44.4 43.3 94.0 447 518 B T E -ab 694 470J 1 22,-1.6 24,-1.9 246,-0.3 2,-0.5 -0.881 30.1 -99.5-146.3 175.1 43.6 40.3 91.9 448 519 B A E - b 0 471J 0 246,-0.6 2,-0.4 -2,-0.3 24,-0.2 -0.898 37.4-152.0-102.4 128.8 43.3 36.5 92.2 449 520 B I E - b 0 472J 0 22,-3.1 24,-2.7 -2,-0.5 2,-0.6 -0.884 6.2-155.6-108.3 135.9 46.4 34.7 91.0 450 521 B A > - 0 0 10 -2,-0.4 3,-2.0 22,-0.2 4,-0.5 -0.946 11.1-147.9-108.0 118.7 46.4 31.1 89.5 451 522 B S G > S+ 0 0 27 -2,-0.6 3,-1.1 1,-0.3 4,-0.2 0.820 95.8 62.5 -55.2 -34.3 49.8 29.4 89.9 452 523 B G G 3 S+ 0 0 75 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.602 102.3 51.0 -70.1 -10.2 49.3 27.5 86.7 453 524 B K G X S+ 0 0 67 -3,-2.0 3,-2.2 1,-0.1 7,-0.3 0.509 81.1 92.8-102.8 -7.2 49.2 30.7 84.7 454 525 B L T < S+ 0 0 36 -3,-1.1 -1,-0.1 -4,-0.5 -2,-0.1 0.577 77.7 63.5 -64.6 -9.4 52.4 32.2 86.1 455 526 B G T 3 S+ 0 0 76 -3,-0.2 2,-0.8 -4,-0.2 -1,-0.3 0.512 82.0 93.6 -90.7 -5.1 54.4 30.7 83.2 456 527 B D <> - 0 0 65 -3,-2.2 4,-2.3 1,-0.2 3,-0.3 -0.798 64.1-159.6 -91.2 105.6 52.4 32.9 80.8 457 528 B S H > S+ 0 0 89 -2,-0.8 4,-2.0 1,-0.2 5,-0.2 0.795 91.4 54.2 -55.2 -34.8 54.4 36.1 80.3 458 529 B A H > S+ 0 0 51 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.922 110.6 47.7 -66.0 -42.7 51.4 38.1 79.1 459 530 B Y H > S+ 0 0 1 -3,-0.3 4,-2.5 -6,-0.2 -2,-0.2 0.922 115.1 43.0 -62.8 -49.7 49.5 37.1 82.3 460 531 B T H X S+ 0 0 26 -4,-2.3 4,-2.8 -7,-0.3 5,-0.3 0.819 108.0 59.3 -70.4 -32.0 52.4 38.0 84.6 461 532 B T H X S+ 0 0 81 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.950 113.4 38.3 -61.2 -47.7 53.2 41.3 82.9 462 533 B I H X S+ 0 0 8 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.960 118.3 48.7 -66.2 -52.4 49.7 42.6 83.5 463 534 B A H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.888 113.3 45.8 -57.2 -44.5 49.4 41.1 87.0 464 535 B S H < S+ 0 0 36 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.894 116.5 46.0 -68.0 -38.5 52.7 42.4 88.2 465 536 B R H < S+ 0 0 104 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.890 118.6 36.3 -70.9 -42.7 52.2 45.9 86.8 466 537 B E H < S+ 0 0 0 -4,-2.5 -31,-2.2 -5,-0.1 2,-0.4 0.693 105.8 60.9 -89.6 -23.4 48.6 46.5 87.9 467 538 B F < - 0 0 5 -4,-1.5 -21,-0.2 -5,-0.3 3,-0.1 -0.870 37.1-179.9-118.5 144.5 48.1 45.0 91.4 468 539 B N S S+ 0 0 43 -23,-1.9 38,-1.9 -2,-0.4 2,-0.3 0.183 77.3 57.1-118.3 14.5 49.7 45.4 94.8 469 540 B M E -bc 446 506J 1 -24,-0.7 -22,-1.6 36,-0.3 2,-0.4 -0.993 66.7-163.6-144.1 138.9 47.6 42.8 96.6 470 541 B V E -bc 447 507J 0 36,-2.0 38,-2.8 -2,-0.3 2,-0.4 -0.980 11.0-172.3-133.2 139.0 47.3 39.1 95.7 471 542 B T E -bc 448 508J 0 -24,-1.9 -22,-3.1 -2,-0.4 2,-0.5 -0.988 31.7-121.8-124.1 132.9 44.9 36.2 96.6 472 543 B A E -b 449 0J 0 36,-0.7 4,-0.3 -2,-0.4 -22,-0.2 -0.649 18.7-144.6 -73.9 124.5 45.6 32.7 95.6 473 544 B E S S- 0 0 21 -24,-2.7 -1,-0.2 -2,-0.5 -23,-0.1 0.883 83.5 -21.7 -59.4 -37.8 42.6 31.6 93.5 474 545 B N S > S+ 0 0 60 -25,-0.4 3,-1.7 18,-0.1 6,-0.3 0.501 112.9 93.5-144.9 -21.0 42.7 28.0 94.8 475 546 B E T 3 S+ 0 0 16 1,-0.3 18,-0.5 17,-0.2 19,-0.1 0.551 90.3 44.4 -61.9 -13.2 46.2 27.2 96.1 476 547 B M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.3 -3,-0.0 0.276 88.0 112.9-114.7 11.2 45.5 28.0 99.8 477 548 B K S <> S- 0 0 13 -3,-1.7 4,-1.9 1,-0.1 5,-0.2 -0.186 84.1 -94.6 -74.1 174.3 42.1 26.3 100.0 478 549 B I H > S+ 0 0 3 33,-0.3 4,-1.9 38,-0.3 40,-0.1 0.897 120.9 47.1 -60.5 -47.5 41.6 23.3 102.2 479 550 B D H 4 S+ 0 0 60 38,-1.2 -1,-0.2 1,-0.2 39,-0.1 0.883 114.9 47.8 -65.2 -36.0 42.1 20.5 99.6 480 551 B A H 4 S+ 0 0 29 -6,-0.3 12,-0.3 37,-0.2 -1,-0.2 0.819 117.9 39.4 -74.4 -31.2 45.3 22.2 98.3 481 552 B T H < S+ 0 0 0 -4,-1.9 8,-2.6 1,-0.2 -2,-0.2 0.665 129.2 25.2 -94.8 -19.1 46.9 22.8 101.7 482 553 B E < + 0 0 2 -4,-1.9 -1,-0.2 6,-0.3 6,-0.2 -0.511 64.5 167.2-144.6 71.9 46.0 19.5 103.5 483 554 B P S S+ 0 0 39 0, 0.0 38,-0.4 0, 0.0 2,-0.3 0.787 77.0 24.7 -53.9 -37.8 45.4 16.8 100.9 484 555 B Q B > S-I 487 0K 95 3,-0.8 3,-2.3 36,-0.1 2,-0.1 -0.942 109.4 -80.2-128.3 151.9 45.4 14.1 103.5 485 556 B R T 3 S+ 0 0 112 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.303 115.4 1.3 -58.5 125.1 44.6 14.5 107.2 486 557 B G T 3 S+ 0 0 52 1,-0.1 2,-0.8 47,-0.1 -1,-0.3 0.402 106.0 109.5 80.1 -3.4 47.5 15.9 109.1 487 558 B Q B < -I 484 0K 121 -3,-2.3 -3,-0.8 -5,-0.1 -1,-0.1 -0.778 53.5-165.2-110.4 89.2 49.6 16.1 105.9 488 559 B F - 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0 0 26 0, 0.0 -3,-0.1 0, 0.0 2,-0.1 -0.212 26.5-102.2 -66.4 149.1 22.9 43.0 90.5 643 714 B Y - 0 0 34 -8,-0.1 2,-0.4 2,-0.0 -318,-0.1 -0.422 39.9-163.3 -65.0 144.2 25.0 45.7 92.2 644 715 B N > - 0 0 45 -2,-0.1 3,-2.0 -320,-0.1 4,-0.2 -0.989 26.9-126.6-133.5 140.8 22.8 48.1 94.1 645 716 B S T > S+ 0 0 88 -2,-0.4 3,-1.5 1,-0.3 4,-0.4 0.699 103.6 76.1 -61.7 -17.7 23.9 51.6 95.3 646 717 B N T 3> + 0 0 30 1,-0.3 4,-1.8 2,-0.2 3,-0.5 0.579 69.6 91.3 -70.8 -3.1 22.8 50.7 98.8 647 718 B F H <> S+ 0 0 1 -3,-2.0 4,-2.6 1,-0.3 -1,-0.3 0.865 78.5 60.5 -56.7 -35.5 26.0 48.7 98.9 648 719 B R H <> S+ 0 0 91 -3,-1.5 4,-2.5 1,-0.2 -1,-0.3 0.916 104.6 46.9 -61.3 -40.6 27.6 51.8 100.3 649 720 B T H > S+ 0 0 56 -3,-0.5 4,-2.6 -4,-0.4 -1,-0.2 0.837 109.1 55.5 -70.4 -29.3 25.3 51.7 103.3 650 721 B T H X S+ 0 0 0 -4,-1.8 4,-2.2 -46,-0.3 -2,-0.2 0.953 110.2 45.3 -65.0 -47.2 26.0 48.0 103.7 651 722 B L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.928 114.1 48.7 -60.1 -47.1 29.7 48.8 104.0 652 723 B Q H X S+ 0 0 93 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.901 108.5 54.6 -61.0 -42.1 29.1 51.7 106.3 653 724 B N H < S+ 0 0 52 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.932 112.5 41.8 -59.1 -47.0 26.9 49.6 108.5 654 725 B F H ><>S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 5,-0.8 0.908 110.8 55.7 -68.3 -40.5 29.5 46.9 109.0 655 726 B A H ><5S+ 0 0 15 -4,-2.7 3,-1.9 1,-0.3 4,-0.3 0.873 99.9 62.4 -58.3 -35.0 32.3 49.5 109.4 656 727 B A T 3<5S+ 0 0 86 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.658 91.3 66.1 -65.5 -16.3 30.2 50.9 112.3 657 728 B L T < 5S- 0 0 30 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.476 124.9 -99.2 -83.6 -2.6 30.6 47.6 114.1 658 729 B G T < 5S+ 0 0 28 -3,-1.9 2,-0.3 1,-0.3 -2,-0.2 0.744 86.2 114.3 93.0 24.3 34.3 48.3 114.5 659 730 B V < - 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