==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-JAN-01 1HWN . COMPND 2 MOLECULE: EBULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SAMBUCUS EBULUS; . AUTHOR J.M.PASCAL,P.J.DAY,A.F.MONZINGO,S.R.ERNST,J.D.ROBERTUS . 517 2 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20566.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 21.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 2 1 1 1 0 1 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 0 PARALLEL BRIDGES PER LADDER . 15 8 5 3 3 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 . 3 1 1 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 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 I 0 0 101 0, 0.0 2,-2.4 0, 0.0 102,-0.1 0.000 360.0 360.0 360.0 96.5 3.1 34.1 72.1 2 2 A D - 0 0 175 49,-0.0 49,-0.0 0, 0.0 0, 0.0 -0.473 360.0-162.1 -76.5 74.7 1.8 37.2 70.3 3 3 A Y - 0 0 24 -2,-2.4 52,-0.1 1,-0.1 49,-0.1 -0.290 15.9-118.4 -60.0 138.8 4.4 39.6 71.7 4 4 A P - 0 0 49 0, 0.0 52,-1.7 0, 0.0 2,-0.3 0.041 32.1-156.7 -66.2-175.0 3.5 43.3 71.5 5 5 A S E -a 56 0A 49 50,-0.2 2,-0.5 52,-0.0 52,-0.2 -0.952 20.1-145.7-169.3 147.6 5.7 45.7 69.5 6 6 A V E -a 57 0A 5 50,-2.4 52,-1.1 -2,-0.3 2,-0.3 -0.973 25.7-161.6-119.2 117.6 6.7 49.4 69.1 7 7 A S E -a 58 0A 50 -2,-0.5 2,-0.4 50,-0.2 52,-0.2 -0.792 12.9-173.0-107.2 145.2 7.4 50.5 65.5 8 8 A F E -a 59 0A 4 50,-2.7 52,-1.8 -2,-0.3 2,-0.8 -0.960 12.3-153.9-135.1 113.6 9.3 53.5 64.2 9 9 A N E -a 60 0A 72 -2,-0.4 52,-0.2 50,-0.2 50,-0.1 -0.796 6.5-160.6 -95.0 111.0 9.4 54.2 60.5 10 10 A L > + 0 0 2 50,-3.1 3,-1.5 -2,-0.8 2,-0.8 0.708 59.0 118.9 -58.0 -20.4 12.4 56.2 59.3 11 11 A A T 3 S- 0 0 58 49,-0.4 -2,-0.1 1,-0.3 50,-0.0 -0.303 106.3 -38.7 -52.9 96.0 10.4 57.1 56.3 12 12 A G T 3 S+ 0 0 57 -2,-0.8 2,-0.3 1,-0.2 -1,-0.3 0.881 92.5 174.4 47.8 46.6 10.3 60.9 56.6 13 13 A A < - 0 0 17 -3,-1.5 -1,-0.2 1,-0.1 2,-0.1 -0.660 20.1-140.7 -87.0 138.7 9.9 60.6 60.4 14 14 A K >> - 0 0 128 -2,-0.3 4,-0.8 1,-0.1 3,-0.6 -0.365 24.9-106.9 -90.9 173.1 10.0 63.8 62.5 15 15 A S H >> S+ 0 0 11 1,-0.2 4,-1.8 2,-0.2 3,-0.8 0.877 120.1 57.6 -67.8 -37.9 11.6 64.3 65.9 16 16 A T H 3> S+ 0 0 57 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.691 101.7 58.0 -65.8 -17.6 8.3 64.4 67.6 17 17 A T H <> S+ 0 0 51 -3,-0.6 4,-2.0 2,-0.2 -1,-0.3 0.776 103.7 51.9 -80.8 -28.3 7.7 60.9 66.2 18 18 A Y H X S+ 0 0 32 -4,-1.8 3,-2.2 2,-0.2 4,-1.4 0.955 108.7 45.9 -78.4 -56.0 9.1 52.7 77.6 27 27 A D H 3X S+ 0 0 82 -4,-2.4 4,-0.7 1,-0.3 -2,-0.2 0.738 101.3 69.5 -60.1 -23.3 5.5 52.1 78.8 28 28 A R H 3< S+ 0 0 101 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.642 117.9 22.2 -70.3 -12.8 5.7 48.6 77.3 29 29 A V H <4 S+ 0 0 1 -3,-2.2 14,-0.4 -5,-0.1 -2,-0.2 0.376 107.9 78.1-129.6 -6.4 8.2 47.8 80.1 30 30 A A H < + 0 0 32 -4,-1.4 2,-0.6 12,-0.1 -3,-0.2 0.590 64.2 115.1 -80.9 -11.1 7.2 50.6 82.6 31 31 A T < + 0 0 82 -4,-0.7 2,-0.3 -5,-0.2 12,-0.2 -0.470 49.1 100.3 -64.6 108.8 4.2 48.5 83.6 32 32 A G S S- 0 0 55 -2,-0.6 2,-0.6 10,-0.1 10,-0.1 -0.965 75.4-107.3-178.7 166.3 4.9 47.6 87.3 33 33 A T S S+ 0 0 150 -2,-0.3 2,-0.2 8,-0.1 -2,-0.1 -0.563 84.9 85.2-108.4 66.6 4.3 48.3 90.9 34 34 A Y + 0 0 55 -2,-0.6 7,-2.1 216,-0.0 2,-0.2 -0.709 46.9 164.2-168.1 109.8 7.6 49.9 92.0 35 35 A E E -F 40 0B 123 5,-0.2 2,-0.2 -2,-0.2 174,-0.1 -0.752 18.3-164.3-125.1 171.6 8.6 53.6 91.6 36 36 A V E > S-F 39 0B 4 3,-1.2 3,-0.9 -2,-0.2 169,-0.0 -0.700 78.8 -29.3-161.5 101.3 11.3 55.9 93.0 37 37 A N T 3 S- 0 0 14 1,-0.3 438,-0.5 -2,-0.2 172,-0.0 0.611 125.3 -53.1 64.7 10.9 11.0 59.7 92.7 38 38 A G T 3 S+ 0 0 27 1,-0.4 -1,-0.3 437,-0.1 436,-0.0 -0.356 115.4 106.2 122.3 -52.8 9.0 59.1 89.5 39 39 A L E < -F 36 0B 2 -3,-0.9 -3,-1.2 -4,-0.1 -1,-0.4 -0.393 67.4-127.9 -63.8 133.8 11.3 56.8 87.6 40 40 A P E -F 35 0B 22 0, 0.0 205,-1.9 0, 0.0 2,-0.7 -0.381 5.8-129.4 -82.8 161.6 10.1 53.1 87.5 41 41 A V E -g 245 0C 9 -7,-2.1 205,-0.2 203,-0.2 -8,-0.1 -0.869 29.9-124.8-114.6 96.1 12.1 50.0 88.4 42 42 A L E -g 246 0C 4 203,-1.3 205,-0.6 -2,-0.7 32,-0.1 0.036 33.0-103.5 -37.7 138.9 11.8 47.4 85.7 43 43 A R - 0 0 30 -14,-0.4 2,-0.2 30,-0.3 204,-0.2 -0.093 35.0-120.3 -63.0 166.9 10.5 44.1 86.9 44 44 A R > - 0 0 67 1,-0.1 3,-1.7 202,-0.1 -1,-0.1 -0.656 21.8-107.5-109.2 166.6 12.8 41.1 87.4 45 45 A E G > S+ 0 0 119 1,-0.3 3,-1.7 -2,-0.2 -1,-0.1 0.846 114.2 70.7 -59.1 -34.7 12.9 37.6 85.9 46 46 A S G 3 S+ 0 0 100 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.733 114.3 25.1 -55.4 -24.4 11.7 36.2 89.2 47 47 A E G < S+ 0 0 114 -3,-1.7 2,-0.5 2,-0.1 -1,-0.3 -0.116 96.6 108.5-135.2 39.4 8.3 37.8 88.5 48 48 A V < - 0 0 21 -3,-1.7 5,-0.1 -5,-0.1 26,-0.0 -0.968 61.6-131.2-122.5 120.5 8.1 38.1 84.7 49 49 A Q >> - 0 0 126 -2,-0.5 3,-1.6 1,-0.1 4,-1.2 -0.277 18.4-123.1 -65.8 152.3 5.7 35.9 82.7 50 50 A V T 34 S+ 0 0 84 1,-0.3 4,-0.2 2,-0.2 -1,-0.1 0.550 115.7 54.0 -72.1 -6.1 7.0 34.1 79.7 51 51 A K T 34 S+ 0 0 127 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.294 118.2 32.6-108.3 5.8 4.3 35.9 77.8 52 52 A N T <4 S+ 0 0 67 -3,-1.6 -2,-0.2 -49,-0.1 -1,-0.1 0.299 89.9 97.4-138.4 -1.6 5.3 39.3 79.0 53 53 A R S < S+ 0 0 14 -4,-1.2 20,-3.0 -5,-0.1 21,-0.3 0.904 84.9 39.5 -59.5 -45.9 9.1 38.9 79.2 54 54 A F - 0 0 1 18,-0.2 2,-0.3 -4,-0.2 18,-0.2 -0.570 58.7-161.7-108.5 170.4 9.9 40.4 75.8 55 55 A V - 0 0 3 16,-0.4 16,-3.3 -2,-0.2 2,-0.2 -0.970 17.5-135.0-150.0 130.8 8.9 43.3 73.6 56 56 A L E -aB 5 70A 31 -52,-1.7 -50,-2.4 -2,-0.3 2,-0.4 -0.544 9.3-158.1 -90.0 154.2 9.5 43.7 69.8 57 57 A V E -aB 6 69A 3 12,-1.4 12,-1.9 -52,-0.2 2,-0.9 -0.959 4.4-155.9-134.6 114.5 10.6 46.9 68.0 58 58 A R E -aB 7 68A 111 -52,-1.1 -50,-2.7 -2,-0.4 2,-0.7 -0.789 12.9-177.0 -96.1 103.5 10.0 47.4 64.3 59 59 A L E -aB 8 67A 3 8,-3.0 8,-2.5 -2,-0.9 2,-0.6 -0.877 5.8-166.1-103.1 111.3 12.5 49.8 62.8 60 60 A T E -aB 9 66A 6 -52,-1.8 -50,-3.1 -2,-0.7 -49,-0.4 -0.861 8.7-148.4-101.6 121.6 11.8 50.5 59.1 61 61 A N > - 0 0 0 4,-2.2 3,-2.0 -2,-0.6 -50,-0.3 -0.177 37.2 -86.7 -78.6 176.1 14.6 52.2 57.1 62 62 A Y T 3 S+ 0 0 94 1,-0.3 -1,-0.1 -52,-0.2 -2,-0.0 0.840 125.0 60.7 -51.6 -40.3 14.2 54.6 54.2 63 63 A N T 3 S- 0 0 122 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.280 118.4-108.9 -75.3 13.9 14.0 51.8 51.7 64 64 A G S < S+ 0 0 45 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.104 75.1 137.9 83.5 -26.0 10.9 50.4 53.4 65 65 A D - 0 0 21 -5,-0.1 -4,-2.2 1,-0.1 2,-0.4 -0.249 39.3-154.6 -54.5 140.4 12.8 47.4 54.8 66 66 A T E -B 60 0A 47 -6,-0.3 2,-0.4 -3,-0.1 18,-0.3 -0.979 12.0-168.2-127.7 131.9 11.8 46.7 58.4 67 67 A V E -B 59 0A 1 -8,-2.5 -8,-3.0 -2,-0.4 2,-0.5 -0.961 8.8-155.1-118.8 131.7 13.8 45.0 61.2 68 68 A T E -BC 58 82A 21 14,-2.0 14,-2.3 -2,-0.4 2,-0.4 -0.911 9.6-171.4-111.7 130.9 12.3 43.9 64.5 69 69 A S E -BC 57 81A 4 -12,-1.9 -12,-1.4 -2,-0.5 2,-0.5 -0.918 20.0-129.4-120.7 145.7 14.3 43.4 67.7 70 70 A A E -BC 56 80A 0 10,-2.6 9,-2.3 -2,-0.4 10,-0.8 -0.817 19.8-162.8 -96.4 124.7 13.3 41.9 71.0 71 71 A V E - C 0 78A 1 -16,-3.3 -16,-0.4 -2,-0.5 7,-0.2 -0.931 24.9-117.8-111.7 118.7 14.1 44.0 74.1 72 72 A D > - 0 0 13 5,-2.3 4,-1.9 -2,-0.6 -18,-0.2 -0.269 13.5-145.5 -53.2 128.5 14.1 42.3 77.5 73 73 A V T 4 S+ 0 0 1 -20,-3.0 -30,-0.3 1,-0.2 -1,-0.2 0.583 96.3 54.3 -73.9 -9.2 11.3 43.8 79.7 74 74 A T T 4 S+ 0 0 7 -21,-0.3 173,-0.3 -32,-0.1 -1,-0.2 0.919 130.5 4.6 -89.6 -53.7 13.6 43.3 82.7 75 75 A N T 4 S- 0 0 28 171,-0.1 -2,-0.2 2,-0.1 171,-0.1 0.417 91.9-122.0-113.1 -1.1 16.9 45.0 81.7 76 76 A L < + 0 0 1 -4,-1.9 2,-0.2 1,-0.2 -3,-0.1 0.879 59.8 152.8 61.3 39.1 15.9 46.5 78.4 77 77 A Y - 0 0 102 -5,-0.1 -5,-2.3 85,-0.1 2,-0.8 -0.604 52.2-110.9 -97.7 159.8 18.6 44.6 76.6 78 78 A L E +C 71 0A 22 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.829 38.3 169.5 -93.2 112.4 18.7 43.5 73.0 79 79 A V E - 0 0 12 -9,-2.3 11,-0.9 -2,-0.8 2,-0.3 0.847 60.1 -26.5 -90.4 -39.6 18.4 39.8 72.9 80 80 A A E -CD 70 89A 1 -10,-0.8 -10,-2.6 9,-0.2 -1,-0.3 -0.980 50.3-148.0-165.7 171.5 17.8 39.2 69.2 81 81 A F E -CD 69 88A 2 7,-1.2 7,-2.5 -2,-0.3 2,-0.4 -0.956 8.5-148.5-146.3 162.7 16.4 40.6 65.9 82 82 A S E +CD 68 87A 18 -14,-2.3 -14,-2.0 -2,-0.3 2,-0.3 -0.999 14.3 171.8-141.9 139.3 14.8 39.3 62.7 83 83 A A S S- 0 0 4 3,-2.4 -16,-0.1 -2,-0.4 65,-0.0 -0.940 72.2 -6.1-148.7 121.3 14.7 40.4 59.0 84 84 A N S S- 0 0 114 -18,-0.3 -1,-0.1 -2,-0.3 3,-0.1 0.969 131.6 -48.0 60.4 57.5 13.2 38.6 56.1 85 85 A G S S+ 0 0 39 1,-0.2 21,-1.6 20,-0.1 2,-0.5 0.798 116.4 120.6 55.0 28.6 12.3 35.4 58.0 86 86 A N B -h 106 0D 37 19,-0.2 -3,-2.4 2,-0.0 2,-0.3 -0.918 41.1-174.7-130.0 107.1 15.8 35.5 59.5 87 87 A S E -D 82 0A 0 19,-1.6 2,-0.4 -2,-0.5 -5,-0.2 -0.746 6.4-159.0-100.2 147.3 16.2 35.7 63.2 88 88 A Y E -D 81 0A 25 -7,-2.5 -7,-1.2 -2,-0.3 2,-0.3 -0.991 6.7-173.0-131.3 130.9 19.6 36.0 65.0 89 89 A F E -De 80 109A 0 19,-2.0 21,-2.5 -2,-0.4 -9,-0.2 -0.911 25.8-111.2-121.6 148.5 20.5 35.2 68.6 90 90 A F - 0 0 9 -11,-0.9 23,-0.2 -2,-0.3 21,-0.1 -0.069 38.8 -93.4 -69.8 174.2 23.8 35.8 70.5 91 91 A K S S+ 0 0 137 21,-2.6 22,-0.1 1,-0.1 -1,-0.1 0.949 123.9 29.1 -53.6 -58.2 26.2 33.2 71.7 92 92 A D S S+ 0 0 106 20,-0.1 3,-0.2 2,-0.1 -1,-0.1 0.984 79.3 157.8 -68.3 -58.6 24.8 32.8 75.2 93 93 A A - 0 0 1 1,-0.1 5,-0.1 -14,-0.1 -4,-0.0 0.840 53.4-112.0 28.7 89.0 21.2 33.7 74.3 94 94 A T >> - 0 0 73 1,-0.2 3,-2.5 2,-0.1 4,-0.7 -0.185 20.4-125.6 -45.7 123.5 19.2 32.1 77.2 95 95 A E H 3> S+ 0 0 139 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.622 103.0 79.8 -50.4 -12.7 17.3 29.2 75.6 96 96 A L H 34 S+ 0 0 56 2,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.811 95.1 42.9 -67.3 -30.5 14.2 30.8 77.2 97 97 A Q H X> S+ 0 0 13 -3,-2.5 3,-2.6 2,-0.2 4,-0.7 0.954 109.2 53.2 -80.2 -54.4 14.0 33.5 74.5 98 98 A K H >< S+ 0 0 42 -4,-0.7 3,-0.9 1,-0.3 -2,-0.2 0.872 99.4 66.0 -47.2 -43.1 14.6 31.3 71.4 99 99 A S T 3< S+ 0 0 74 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.733 126.4 9.9 -53.5 -24.3 11.8 29.0 72.6 100 100 A N T <4 S+ 0 0 8 -3,-2.6 2,-0.6 -4,-0.2 -1,-0.3 0.089 102.7 106.1-145.6 25.1 9.4 31.8 72.0 101 101 A L S << S- 0 0 0 -3,-0.9 3,-0.2 -4,-0.7 -14,-0.1 -0.923 104.3 -20.3-113.8 108.7 11.3 34.5 70.1 102 102 A F S > S- 0 0 27 -2,-0.6 3,-0.9 1,-0.2 2,-0.6 0.858 82.9-167.1 64.1 35.9 10.5 34.8 66.4 103 103 A L T 3 S+ 0 0 112 1,-0.2 -1,-0.2 -102,-0.1 3,-0.1 -0.405 70.5 40.6 -59.8 107.4 9.0 31.3 66.5 104 104 A G T 3 S+ 0 0 78 -2,-0.6 2,-0.3 1,-0.4 -1,-0.2 0.537 94.4 97.5 125.6 20.6 8.6 30.5 62.9 105 105 A T S < S- 0 0 38 -3,-0.9 2,-0.5 -19,-0.0 -1,-0.4 -0.972 85.7 -86.2-137.4 151.4 11.8 31.9 61.3 106 106 A T B -h 86 0D 87 -21,-1.6 -19,-1.6 -2,-0.3 2,-0.0 -0.393 53.5-136.4 -58.5 109.2 15.2 30.5 60.3 107 107 A Q - 0 0 79 -2,-0.5 2,-0.3 -21,-0.2 -19,-0.2 -0.310 24.7-175.5 -70.7 151.7 17.2 30.7 63.5 108 108 A H - 0 0 63 -21,-0.2 -19,-2.0 -2,-0.0 2,-0.4 -0.949 15.0-149.7-143.6 161.3 20.8 31.9 63.7 109 109 A T B -e 89 0A 102 -2,-0.3 -19,-0.2 -21,-0.2 -18,-0.1 -0.960 12.8-143.8-140.9 120.1 23.5 32.3 66.2 110 110 A L - 0 0 20 -21,-2.5 40,-0.1 -2,-0.4 -2,-0.0 -0.370 20.6-125.1 -77.6 159.1 26.3 34.9 66.3 111 111 A S S S+ 0 0 95 -21,-0.1 2,-0.2 -2,-0.1 -1,-0.1 0.566 93.3 52.0 -80.4 -8.4 29.8 34.2 67.4 112 112 A F S S- 0 0 16 10,-0.1 -21,-2.6 -21,-0.0 2,-0.3 -0.585 78.7-122.7-118.1-178.5 29.6 37.1 69.9 113 113 A T - 0 0 12 -23,-0.2 2,-0.9 -2,-0.2 6,-0.2 -0.783 33.9 -83.5-125.5 169.2 27.2 38.2 72.7 114 114 A G S S+ 0 0 35 -2,-0.3 2,-0.2 4,-0.1 3,-0.1 -0.613 83.6 86.9 -79.1 103.3 25.1 41.2 73.6 115 115 A N S >> S- 0 0 57 -2,-0.9 4,-3.0 1,-0.1 3,-2.1 -0.613 77.0-115.5 168.2 130.2 27.3 43.8 75.4 116 116 A Y H 3> S+ 0 0 30 1,-0.3 4,-2.5 2,-0.2 5,-0.4 0.847 113.5 61.4 -41.4 -48.6 29.5 46.7 74.4 117 117 A D H 34 S+ 0 0 123 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.839 119.1 29.1 -50.8 -35.3 32.6 44.9 75.8 118 118 A N H X> S+ 0 0 56 -3,-2.1 4,-2.4 2,-0.1 3,-0.7 0.896 117.9 54.5 -90.7 -51.8 31.9 42.2 73.2 119 119 A L H 3< S+ 0 0 2 -4,-3.0 33,-0.2 1,-0.3 6,-0.2 0.921 107.6 50.6 -48.7 -54.1 30.2 44.0 70.4 120 120 A E T ><>S+ 0 0 26 -4,-2.5 5,-1.7 1,-0.2 3,-0.7 0.812 111.2 51.8 -56.4 -30.5 33.0 46.6 70.1 121 121 A T G X45S+ 0 0 108 -3,-0.7 3,-1.4 -5,-0.4 2,-0.5 0.925 103.3 55.0 -72.6 -46.3 35.4 43.6 69.9 122 122 A A G 3<5S+ 0 0 35 -4,-2.4 29,-0.4 1,-0.2 -1,-0.2 -0.005 114.2 43.5 -78.7 32.5 33.5 41.8 67.1 123 123 A A G < 5S- 0 0 30 -3,-0.7 -1,-0.2 -2,-0.5 -2,-0.2 0.290 101.3-124.6-152.4 -3.0 33.7 44.9 65.0 124 124 A G T < 5S+ 0 0 74 -3,-1.4 2,-0.3 -4,-0.2 -3,-0.2 0.824 82.9 92.3 54.6 30.9 37.3 46.1 65.5 125 125 A T < - 0 0 39 -5,-1.7 2,-0.3 -6,-0.2 -1,-0.2 -0.996 67.7-132.4-153.9 152.0 35.8 49.4 66.5 126 126 A R >> - 0 0 160 -2,-0.3 3,-2.5 -3,-0.1 4,-1.5 -0.715 31.5-111.8-104.6 156.7 34.7 51.2 69.7 127 127 A R T 34 S+ 0 0 10 1,-0.3 -1,-0.1 -2,-0.3 -11,-0.0 0.786 113.8 71.1 -55.7 -29.1 31.4 53.1 70.2 128 128 A E T 34 S+ 0 0 91 1,-0.2 -1,-0.3 57,-0.1 60,-0.0 0.616 107.2 38.1 -64.4 -10.0 33.4 56.4 70.3 129 129 A S T <4 S+ 0 0 64 -3,-2.5 -2,-0.2 2,-0.1 -1,-0.2 0.775 93.9 90.3-106.7 -43.2 33.9 55.8 66.6 130 130 A I S < S- 0 0 0 -4,-1.5 2,-0.2 1,-0.1 -5,-0.0 -0.378 71.7-140.0 -60.0 126.8 30.6 54.4 65.4 131 131 A E - 0 0 85 54,-0.1 2,-0.3 -2,-0.1 54,-0.2 -0.512 14.0-156.7 -89.6 158.8 28.3 57.3 64.4 132 132 A L B +I 184 0E 0 52,-2.7 52,-1.6 -2,-0.2 3,-0.1 -0.871 36.3 83.9-130.8 163.8 24.6 57.6 65.1 133 133 A G S > S- 0 0 0 -2,-0.3 4,-2.0 50,-0.2 5,-0.2 -0.841 85.7 -42.8 137.1-174.3 21.6 59.5 63.6 134 134 A P H > S+ 0 0 2 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.962 133.6 34.8 -52.0 -64.1 19.1 59.2 60.7 135 135 A N H > S+ 0 0 104 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.940 117.0 52.5 -60.2 -51.6 21.4 57.9 58.0 136 136 A P H > S+ 0 0 26 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.853 110.4 51.3 -54.0 -33.7 23.6 55.8 60.3 137 137 A L H X S+ 0 0 3 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.868 110.4 48.2 -70.3 -38.1 20.4 54.2 61.5 138 138 A D H X S+ 0 0 32 -4,-1.7 4,-2.6 -3,-0.3 5,-0.2 0.960 114.0 44.7 -66.8 -52.6 19.3 53.4 58.0 139 139 A G H X S+ 0 0 36 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.866 113.5 51.4 -59.8 -37.1 22.6 52.0 56.9 140 140 A A H X S+ 0 0 6 -4,-1.9 4,-0.9 -5,-0.3 -1,-0.2 0.874 110.2 49.6 -67.4 -36.9 22.8 50.0 60.2 141 141 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 3,-0.4 0.909 112.7 46.6 -67.2 -43.3 19.2 48.7 59.5 142 142 A T H X>S+ 0 0 39 -4,-2.6 4,-3.1 1,-0.2 5,-0.5 0.915 105.3 59.4 -65.2 -44.5 20.2 47.7 55.9 143 143 A S H X5S+ 0 0 38 -4,-2.6 4,-1.0 3,-0.2 6,-0.4 0.773 110.2 44.9 -56.2 -27.4 23.4 46.0 57.1 144 144 A L H X5S+ 0 0 0 -4,-0.9 4,-0.7 -3,-0.4 -2,-0.2 0.954 115.6 42.2 -80.9 -56.4 21.3 43.7 59.2 145 145 A W H <5S+ 0 0 56 -4,-2.1 -2,-0.2 2,-0.2 -3,-0.2 0.822 130.5 30.1 -59.7 -32.8 18.5 42.8 56.8 146 146 A Y H <5S+ 0 0 148 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.909 127.0 35.4 -94.4 -53.6 21.1 42.4 54.0 147 147 A D H <> - 0 0 73 1,-0.1 4,-1.2 -40,-0.1 3,-0.6 -0.949 40.3 -97.6-129.0 150.1 27.1 42.3 62.6 151 151 A A H >> S+ 0 0 0 -29,-0.4 4,-2.0 -2,-0.3 3,-1.4 0.772 113.6 57.2 -23.4 -79.5 28.2 44.1 65.7 152 152 A R H 3> S+ 0 0 87 1,-0.3 4,-1.0 -30,-0.2 3,-0.5 0.787 106.7 48.8 -23.3 -69.7 28.6 47.6 64.3 153 153 A S H X> S+ 0 0 9 -3,-0.6 4,-1.3 1,-0.3 3,-1.0 0.876 112.8 48.5 -44.1 -48.6 25.1 47.9 63.0 154 154 A L H S+ 0 0 19 -4,-2.6 5,-2.6 1,-0.2 3,-0.4 0.915 114.4 35.0 -58.4 -46.5 21.2 49.9 70.9 159 159 A Q H <5S+ 0 0 0 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.583 120.1 53.3 -84.3 -9.6 22.2 53.4 71.7 160 160 A M H <5S+ 0 0 5 -4,-0.8 -2,-0.2 -3,-0.1 -1,-0.2 0.425 125.6 12.2-103.8 -1.0 19.5 54.7 69.4 161 161 A V T X5S+ 0 0 7 -4,-1.0 4,-0.9 -3,-0.4 -3,-0.2 0.477 131.5 26.1-137.5 -69.8 16.6 52.8 70.8 162 162 A P H >>5S+ 0 0 2 0, 0.0 4,-1.7 0, 0.0 3,-1.5 0.985 128.6 42.6 -67.9 -53.2 16.8 51.0 74.2 163 163 A E H 3>X -J 242 0F 0 -4,-1.1 4,-1.0 75,-0.2 3,-0.6 -0.957 65.5-160.0-120.2 115.2 18.5 58.1 79.2 168 168 A R H 3> S+ 0 0 26 73,-1.8 4,-2.2 -2,-0.5 5,-0.2 0.717 90.0 69.8 -63.3 -20.8 16.5 61.1 77.9 169 169 A Y H 3> S+ 0 0 0 71,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.946 98.0 46.9 -62.4 -49.3 19.8 62.8 77.2 170 170 A I H <> S+ 0 0 0 -3,-0.6 4,-2.0 -7,-0.3 -1,-0.2 0.821 109.3 59.8 -62.0 -29.4 20.7 60.4 74.4 171 171 A E H >X S+ 0 0 9 -4,-1.0 4,-2.1 -7,-0.3 3,-0.7 0.990 104.5 43.8 -62.2 -62.9 17.1 61.0 73.2 172 172 A Q H 3X S+ 0 0 14 -4,-2.2 4,-0.8 1,-0.3 -1,-0.2 0.682 112.6 58.7 -57.3 -16.5 17.4 64.8 72.7 173 173 A E H 3X S+ 0 0 43 -4,-1.0 4,-0.9 -5,-0.2 -1,-0.3 0.890 112.2 35.2 -79.4 -42.7 20.8 64.0 71.1 174 174 A V H S+ 0 0 1 -4,-0.9 5,-1.2 2,-0.2 4,-0.6 0.889 110.2 53.1 -77.8 -42.5 20.1 64.6 64.5 178 178 A L H <5S+ 0 0 10 -4,-2.2 -2,-0.2 3,-0.2 -3,-0.2 0.889 118.5 37.0 -60.2 -39.9 16.8 63.1 63.3 179 179 A Q H <5S+ 0 0 77 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.916 121.8 42.4 -78.9 -46.7 15.4 66.6 62.7 180 180 A Q H <5S- 0 0 88 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.341 103.6-128.6 -82.7 7.6 18.5 68.3 61.4 181 181 A L T <5 + 0 0 125 -4,-0.6 -3,-0.2 1,-0.2 2,-0.2 0.805 67.5 130.2 48.8 31.8 19.3 65.2 59.3 182 182 A T < - 0 0 64 -5,-1.2 2,-0.3 -6,-0.3 -1,-0.2 -0.558 47.6-139.8-109.2 174.3 22.8 65.3 60.9 183 183 A S + 0 0 54 -2,-0.2 2,-0.3 -50,-0.2 -50,-0.2 -0.809 18.5 171.3-129.6 170.7 25.0 62.7 62.6 184 184 A F B -I 132 0E 41 -52,-1.6 -52,-2.7 -2,-0.3 -11,-0.0 -0.971 26.3-114.2-166.4 175.0 27.3 62.5 65.6 185 185 A T - 0 0 57 -2,-0.3 -54,-0.1 -54,-0.2 -57,-0.1 -0.967 42.9 -90.8-126.7 141.3 29.4 60.3 67.8 186 186 A P - 0 0 7 0, 0.0 2,-0.1 0, 0.0 -16,-0.0 -0.183 45.3-144.6 -49.2 129.9 29.0 59.4 71.5 187 187 A N > - 0 0 38 1,-0.1 4,-2.6 4,-0.0 5,-0.3 -0.376 32.0 -90.5 -92.0 174.6 30.9 61.9 73.7 188 188 A A H > S+ 0 0 12 35,-0.3 4,-2.1 2,-0.2 35,-0.2 0.863 127.7 44.7 -51.7 -39.2 32.7 61.2 76.9 189 189 A L H > S+ 0 0 5 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.998 112.1 46.4 -69.1 -68.2 29.6 62.1 78.8 190 190 A M H > S+ 0 0 0 1,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.823 117.0 48.7 -43.0 -39.4 26.9 60.2 76.8 191 191 A L H >< S+ 0 0 21 -4,-2.6 3,-1.0 2,-0.2 4,-0.3 0.967 112.8 44.2 -68.1 -54.6 29.2 57.2 76.9 192 192 A S H >X S+ 0 0 12 -4,-2.1 3,-1.6 -5,-0.3 4,-0.6 0.889 109.0 57.0 -58.4 -42.7 29.9 57.2 80.6 193 193 A M H 3< S+ 0 0 0 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.730 110.3 45.6 -62.6 -22.4 26.3 57.8 81.5 194 194 A E T << S+ 0 0 6 -3,-1.0 -1,-0.3 -4,-0.7 3,-0.3 0.383 105.6 61.1-100.8 1.6 25.4 54.7 79.6 195 195 A N T <4 S+ 0 0 81 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.2 0.463 105.3 46.9-103.3 -5.9 28.2 52.7 81.1 196 196 A N X + 0 0 37 -4,-0.6 4,-2.8 -3,-0.1 5,-0.2 -0.107 67.2 123.5-126.0 34.6 26.9 53.1 84.7 197 197 A W T 4 S+ 0 0 8 -3,-0.3 49,-0.4 1,-0.2 4,-0.3 0.919 82.9 43.2 -61.1 -43.0 23.2 52.3 84.3 198 198 A S T > S+ 0 0 42 2,-0.2 4,-1.2 1,-0.1 3,-0.4 0.921 115.4 48.1 -68.4 -45.9 23.5 49.6 86.9 199 199 A S H >> S+ 0 0 43 1,-0.3 4,-1.5 2,-0.2 3,-1.1 0.971 114.1 44.3 -59.5 -56.9 25.6 51.6 89.3 200 200 A M H 3< S+ 0 0 0 -4,-2.8 4,-0.3 1,-0.3 -1,-0.3 0.594 107.4 66.1 -65.2 -8.4 23.4 54.7 89.1 201 201 A S H 3> S+ 0 0 0 -3,-0.4 4,-1.1 -4,-0.3 47,-0.3 0.829 103.9 40.3 -81.6 -34.4 20.5 52.3 89.4 202 202 A L H S+ 0 0 1 -4,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.816 118.2 40.3 -92.1 -37.8 18.6 55.7 93.5 205 205 A Q H < S+ 0 0 2 -4,-1.1 -2,-0.2 2,-0.2 4,-0.1 0.740 115.3 54.0 -81.9 -24.5 17.0 52.6 95.1 206 206 A L H < S+ 0 0 39 -4,-2.5 46,-0.2 1,-0.2 -3,-0.2 0.959 109.3 44.6 -73.2 -53.5 19.6 52.7 98.0 207 207 A S H < S- 0 0 17 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.827 111.7-141.0 -59.9 -30.8 19.0 56.3 99.0 208 208 A G >< - 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