==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 21-MAY-08 2VU7 . COMPND 2 MOLECULE: THAUMATIN-1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.JAKONCIC,N.ASHERIE,C.GINSBERG . 207 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9929.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 57.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 27.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 15 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 . 3 0 3 1 4 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 1 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 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 21 0, 0.0 40,-2.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 147.9 -10.6 9.9 8.1 2 2 A T E -A 40 0A 61 38,-0.2 197,-2.6 195,-0.1 2,-0.5 -0.855 360.0-173.8-100.6 131.6 -11.2 6.3 9.0 3 3 A F E -Ab 39 199A 0 36,-2.4 36,-3.0 -2,-0.5 2,-0.5 -0.992 8.0-160.0-121.8 120.2 -9.0 4.6 11.7 4 4 A E E -Ab 38 200A 49 195,-2.4 197,-2.7 -2,-0.5 2,-0.5 -0.901 6.1-163.0 -96.1 127.6 -9.4 0.9 12.2 5 5 A I E -Ab 37 201A 0 32,-2.9 32,-2.7 -2,-0.5 2,-0.5 -0.966 11.6-174.3-115.2 117.3 -8.1 -0.2 15.6 6 6 A V E -Ab 36 202A 5 195,-2.7 197,-3.0 -2,-0.5 2,-0.9 -0.954 18.7-150.6-123.6 125.8 -7.5 -4.0 15.8 7 7 A N E + b 0 203A 0 28,-2.9 27,-2.6 -2,-0.5 28,-0.2 -0.830 24.7 163.1 -95.7 105.0 -6.5 -6.0 18.8 8 8 A R + 0 0 140 195,-2.4 196,-0.2 -2,-0.9 -1,-0.1 0.383 42.2 113.6 -94.8 1.0 -4.4 -9.0 17.7 9 9 A a S S- 0 0 1 2,-0.2 25,-0.3 194,-0.2 4,-0.1 -0.311 75.3-126.4 -68.7 158.0 -3.1 -9.6 21.2 10 10 A S S S+ 0 0 113 23,-0.1 2,-0.3 2,-0.1 23,-0.3 0.709 93.9 65.3 -72.0 -24.2 -4.1 -12.8 23.1 11 11 A Y S S- 0 0 90 21,-0.1 -2,-0.2 1,-0.1 2,-0.1 -0.713 94.7-101.2 -96.9 154.8 -5.2 -10.5 26.0 12 12 A T - 0 0 47 -2,-0.3 43,-0.4 21,-0.1 2,-0.3 -0.422 38.3-168.8 -64.7 142.8 -8.0 -8.0 26.1 13 13 A V E -E 31 0B 0 18,-2.2 18,-3.1 41,-0.1 2,-0.6 -0.914 21.6-134.8-127.0 161.3 -7.1 -4.4 25.7 14 14 A W E -EF 30 53B 30 39,-2.3 39,-0.9 -2,-0.3 16,-0.3 -0.942 29.0-147.1-113.8 101.9 -9.2 -1.2 26.2 15 15 A A E -EF 29 52B 0 14,-2.0 14,-1.8 -2,-0.6 2,-0.3 -0.356 14.9-166.1 -68.3 155.7 -8.4 1.0 23.2 16 16 A A E -EF 28 51B 0 35,-2.1 35,-1.9 12,-0.2 2,-0.3 -0.990 12.2-175.6-144.1 149.0 -8.5 4.7 23.6 17 17 A A E + F 0 50B 0 10,-2.3 7,-2.3 -2,-0.3 2,-0.3 -0.959 20.2 147.3-150.7 122.5 -8.5 7.7 21.2 18 18 A S E -EF 23 49B 0 31,-2.4 31,-2.7 -2,-0.3 5,-0.2 -0.982 45.0-145.3-152.4 157.0 -8.3 11.3 22.2 19 19 A K - 0 0 80 3,-2.5 2,-0.3 -2,-0.3 4,-0.1 0.139 63.1-101.2-112.2 20.0 -7.0 14.7 21.1 20 20 A G S S+ 0 0 28 2,-0.5 60,-0.3 29,-0.1 3,-0.1 -0.200 117.3 46.1 99.2 -42.6 -6.1 15.7 24.7 21 21 A D S S+ 0 0 123 -2,-0.3 2,-0.3 1,-0.2 58,-0.2 0.237 122.3 16.0-111.8 7.4 -9.1 18.0 25.4 22 22 A A S S- 0 0 33 56,-0.2 -3,-2.5 5,-0.0 -2,-0.5 -0.962 81.7 -92.3-168.2 157.2 -11.8 15.6 24.0 23 23 A A E -E 18 0B 36 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.391 30.7-132.3 -62.7 150.0 -12.5 12.1 22.9 24 24 A L E > S- 0 0 9 -7,-2.3 3,-2.3 53,-0.3 -7,-0.2 -0.960 77.3 -36.0 -98.8 127.4 -12.1 11.1 19.3 25 25 A D E 3 S- 0 0 82 -2,-0.5 -2,-0.1 1,-0.3 14,-0.1 -0.317 136.1 -13.3 54.5-137.2 -15.2 9.2 18.3 26 26 A A E 3 S- 0 0 18 1,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.566 88.1-133.4 -72.7 -10.6 -16.3 7.2 21.4 27 27 A G E < S+ 0 0 0 -3,-2.3 -10,-2.3 49,-0.2 50,-0.4 -0.013 71.1 5.1 87.8 -36.9 -13.0 7.8 23.1 28 28 A G E +E 16 0B 2 -2,-0.5 2,-0.3 -12,-0.3 -12,-0.2 -0.956 56.4 177.4-174.2 163.0 -12.5 4.2 24.2 29 29 A R E -E 15 0B 101 -14,-1.8 -14,-2.0 -2,-0.3 2,-0.2 -0.947 36.7-100.3-167.7 143.6 -13.8 0.6 24.1 30 30 A Q E -E 14 0B 83 -2,-0.3 2,-0.5 -16,-0.3 -16,-0.2 -0.536 34.1-165.0 -66.5 135.6 -13.0 -2.9 25.2 31 31 A L E -E 13 0B 0 -18,-3.1 -18,-2.2 -2,-0.2 3,-0.1 -0.946 5.9-153.1-124.4 109.0 -11.4 -5.0 22.5 32 32 A N > - 0 0 73 -2,-0.5 3,-2.5 -20,-0.2 -25,-0.3 -0.254 49.0 -64.7 -65.2 165.4 -11.3 -8.7 23.0 33 33 A S T 3 S+ 0 0 67 -23,-0.3 -25,-0.2 1,-0.3 -1,-0.2 -0.328 127.8 13.1 -52.8 128.2 -8.6 -10.7 21.4 34 34 A G T 3 S+ 0 0 55 -27,-2.6 -1,-0.3 -25,-0.3 2,-0.2 0.297 97.5 133.0 86.8 -5.8 -9.1 -10.5 17.6 35 35 A E < - 0 0 51 -3,-2.5 -28,-2.9 -28,-0.2 2,-0.3 -0.502 39.0-156.3 -86.0 146.9 -11.7 -7.6 17.8 36 36 A S E -A 6 0A 54 -30,-0.2 2,-0.4 -2,-0.2 -30,-0.2 -0.896 6.3-165.8-120.7 149.6 -11.6 -4.5 15.6 37 37 A W E -A 5 0A 24 -32,-2.7 -32,-2.9 -2,-0.3 2,-0.5 -0.990 8.5-157.5-135.0 118.3 -13.1 -1.1 16.2 38 38 A T E -A 4 0A 83 -2,-0.4 2,-0.3 -34,-0.2 -34,-0.2 -0.901 16.3-178.0-103.2 127.7 -13.4 1.4 13.4 39 39 A I E -A 3 0A 4 -36,-3.0 -36,-2.4 -2,-0.5 2,-0.5 -0.802 25.7-127.3-119.9 160.5 -13.7 5.1 14.2 40 40 A N E -A 2 0A 75 -2,-0.3 2,-0.5 -38,-0.2 -38,-0.2 -0.940 20.4-165.1-103.3 127.9 -14.1 8.3 12.4 41 41 A V - 0 0 1 -40,-2.7 3,-0.1 -2,-0.5 4,-0.1 -0.961 28.0-114.6-111.8 124.5 -11.5 11.0 13.2 42 42 A E > - 0 0 121 -2,-0.5 3,-1.7 1,-0.1 50,-0.2 -0.278 33.7-102.6 -57.8 138.4 -12.5 14.5 12.0 43 43 A P T 3 S+ 0 0 81 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.296 108.6 32.3 -54.9 146.3 -10.3 16.0 9.3 44 44 A G T 3 S+ 0 0 38 1,-0.3 2,-0.3 -3,-0.1 -2,-0.1 0.453 77.7 157.5 81.4 4.3 -7.9 18.6 10.7 45 45 A T < - 0 0 11 -3,-1.7 47,-3.1 46,-0.1 2,-0.4 -0.481 23.9-163.6 -63.1 120.1 -7.5 16.8 14.0 46 46 A N + 0 0 96 -2,-0.3 45,-0.2 45,-0.3 -1,-0.0 -0.880 63.1 9.5-107.7 136.1 -4.2 18.0 15.3 47 47 A G S S+ 0 0 28 -2,-0.4 2,-0.2 1,-0.2 44,-0.2 0.879 82.2 164.0 69.2 36.3 -2.3 16.2 18.1 48 48 A G E - G 0 90B 0 42,-2.7 42,-2.5 -3,-0.3 2,-0.3 -0.576 15.3-168.0 -83.4 154.7 -4.5 13.1 18.2 49 49 A K E -FG 18 89B 40 -31,-2.7 -31,-2.4 40,-0.2 2,-0.4 -0.998 12.2-165.4-143.2 146.0 -3.3 9.9 20.0 50 50 A I E +FG 17 88B 0 38,-2.3 38,-2.6 -2,-0.3 2,-0.3 -0.978 21.8 159.1-125.3 139.2 -4.5 6.2 20.1 51 51 A W E -F 16 0B 0 -35,-1.9 -35,-2.1 -2,-0.4 2,-0.3 -0.968 34.9-115.1-150.2 165.7 -3.3 3.8 22.7 52 52 A A E -F 15 0B 1 34,-0.4 2,-0.4 -2,-0.3 -37,-0.2 -0.799 20.5-152.8 -98.4 152.0 -4.1 0.5 24.4 53 53 A R E -F 14 0B 0 -39,-0.9 -39,-2.3 -2,-0.3 2,-0.3 -0.971 13.5-151.1-120.9 138.2 -4.9 0.1 28.1 54 54 A T + 0 0 17 14,-0.5 13,-1.5 -2,-0.4 14,-1.3 -0.816 63.5 11.1-112.5 154.3 -4.2 -3.1 30.0 55 55 A D S S+ 0 0 103 -43,-0.4 12,-1.0 -2,-0.3 2,-0.3 0.940 83.0 159.7 50.6 61.4 -5.8 -4.8 32.9 56 56 A b E -K 66 0C 12 10,-0.2 2,-0.3 -3,-0.2 10,-0.3 -0.721 26.4-167.8-102.9 160.4 -8.8 -2.6 33.2 57 57 A Y E +K 65 0C 166 8,-2.1 8,-2.3 -2,-0.3 2,-0.3 -0.973 9.3 179.7-145.5 145.4 -12.2 -3.0 34.8 58 58 A F E -K 64 0C 43 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.954 22.8-126.3-136.9 152.2 -15.3 -0.9 34.4 59 59 A D > - 0 0 92 4,-2.5 3,-1.9 -2,-0.3 5,-0.0 -0.272 48.0 -85.7 -88.2 179.6 -18.8 -0.8 35.7 60 60 A D T 3 S+ 0 0 179 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.776 128.7 54.8 -60.2 -25.9 -21.9 -0.7 33.4 61 61 A S T 3 S- 0 0 91 2,-0.1 -1,-0.3 14,-0.0 14,-0.1 0.488 120.5-104.6 -84.5 -6.7 -21.7 3.1 33.2 62 62 A G S < S+ 0 0 10 -3,-1.9 13,-2.6 1,-0.3 2,-0.4 0.757 77.1 129.8 87.8 25.5 -18.1 3.1 32.0 63 63 A S B +L 74 0D 58 11,-0.2 -4,-2.5 12,-0.1 -1,-0.3 -0.916 31.4 93.1-110.6 140.0 -16.3 4.2 35.2 64 64 A G E -K 58 0C 26 9,-2.8 2,-0.3 -2,-0.4 -6,-0.2 -0.879 61.1 -82.0 175.3-148.8 -13.3 2.1 36.4 65 65 A I E -K 57 0C 88 -8,-2.3 -8,-2.1 -2,-0.3 2,-0.4 -0.992 19.2-153.0-156.8 144.6 -9.6 1.9 36.3 66 66 A b E -K 56 0C 11 -2,-0.3 4,-0.4 -10,-0.3 -10,-0.2 -0.954 18.6-139.4-120.7 146.7 -6.8 0.6 34.1 67 67 A K S S+ 0 0 133 -13,-1.5 2,-0.4 -12,-1.0 -12,-0.2 0.764 95.1 24.8 -72.9 -32.0 -3.3 -0.7 35.1 68 68 A T S S+ 0 0 1 -14,-1.3 -14,-0.5 1,-0.1 -1,-0.2 -0.995 128.9 9.0-130.0 145.6 -1.7 1.1 32.1 69 69 A G S S+ 0 0 0 13,-2.2 -2,-0.1 -2,-0.4 -1,-0.1 0.620 73.7 177.0 70.9 17.1 -3.0 4.1 30.2 70 70 A D - 0 0 33 -4,-0.4 12,-2.1 11,-0.2 2,-0.6 -0.257 17.0-156.0 -57.1 136.1 -5.9 5.0 32.5 71 71 A c > - 0 0 2 3,-0.5 3,-1.6 10,-0.2 7,-0.3 -0.764 67.5 -52.0-116.9 83.0 -7.7 8.2 31.4 72 72 A G T 3 S- 0 0 38 -2,-0.6 3,-0.1 1,-0.3 -8,-0.1 0.795 100.6 -65.7 62.2 25.8 -9.3 9.7 34.4 73 73 A G T 3 S+ 0 0 17 1,-0.2 -9,-2.8 -10,-0.1 2,-0.4 0.675 103.1 130.4 72.7 19.5 -11.0 6.4 35.4 74 74 A L B < -L 63 0D 50 -3,-1.6 -3,-0.5 -11,-0.2 -1,-0.2 -0.814 55.7-153.8-109.6 145.5 -13.2 6.5 32.2 75 75 A L S S+ 0 0 39 -13,-2.6 2,-1.3 -2,-0.4 -1,-0.1 0.918 98.2 55.2 -67.5 -47.0 -13.9 3.9 29.6 76 76 A R S S- 0 0 148 -14,-0.4 -1,-0.2 -60,-0.1 -48,-0.2 -0.678 95.5-143.1 -93.0 85.5 -14.7 6.6 27.0 77 77 A c + 0 0 0 -2,-1.3 -53,-0.3 -50,-0.4 -60,-0.2 -0.229 32.1 171.8 -62.4 137.4 -11.4 8.6 27.2 78 78 A K S S+ 0 0 133 -7,-0.3 -59,-0.3 -55,-0.1 2,-0.2 0.527 70.9 31.5-109.4 -20.7 -11.6 12.4 26.9 79 79 A R S S- 0 0 154 -58,-0.2 -58,-0.1 -8,-0.1 -62,-0.1 -0.820 98.0 -73.6-132.7 172.2 -7.9 13.0 27.9 80 80 A F - 0 0 74 -60,-0.3 -8,-0.2 -2,-0.2 2,-0.1 -0.287 53.5-110.5 -71.2 159.2 -4.6 11.3 27.5 81 81 A G - 0 0 15 -10,-0.1 -10,-0.2 1,-0.1 -11,-0.2 -0.418 27.9 -92.0 -96.5 164.0 -3.7 8.2 29.6 82 82 A R - 0 0 185 -12,-2.1 -13,-2.2 -2,-0.1 -12,-0.2 -0.483 63.6 -77.1 -73.5 130.3 -1.3 7.5 32.4 83 83 A P S S+ 0 0 36 0, 0.0 24,-0.2 0, 0.0 -13,-0.1 -0.232 99.9 70.3 -57.4 156.1 2.1 6.2 31.3 84 84 A P S S+ 0 0 5 0, 0.0 2,-0.3 0, 0.0 23,-0.3 0.326 71.5 140.1 -86.6 135.3 3.4 3.6 30.4 85 85 A T - 0 0 3 21,-2.1 21,-0.3 60,-0.1 2,-0.3 -0.928 49.8-136.7-143.6 118.7 1.6 3.8 27.0 86 86 A T - 0 0 1 -2,-0.3 2,-0.5 -34,-0.1 -34,-0.4 -0.566 38.9-145.3 -66.5 133.3 2.9 3.0 23.5 87 87 A L E - H 0 103B 11 16,-2.4 16,-2.3 -2,-0.3 2,-0.6 -0.908 24.4-161.1-118.5 128.0 1.5 5.9 21.5 88 88 A A E -GH 50 102B 0 -38,-2.6 -38,-2.3 -2,-0.5 2,-0.4 -0.913 29.1-169.6 -91.3 117.7 0.2 6.2 18.0 89 89 A E E +GH 49 101B 32 12,-2.9 12,-2.2 -2,-0.6 2,-0.3 -0.907 10.3 169.0-119.5 138.8 0.3 9.9 17.3 90 90 A F E -GH 48 100B 3 -42,-2.5 -42,-2.7 -2,-0.4 2,-0.4 -0.999 24.3-169.0-153.2 146.0 -1.2 11.8 14.4 91 91 A S E - H 0 99B 26 8,-2.2 8,-2.7 -2,-0.3 3,-0.3 -0.990 25.9-155.1-135.2 123.0 -2.0 15.2 13.0 92 92 A L E + 0 0 0 -47,-3.1 6,-0.2 -2,-0.4 3,-0.1 -0.752 61.7 7.5-110.6 146.1 -4.2 15.3 10.0 93 93 A N E S+ 0 0 50 -2,-0.3 2,-0.9 1,-0.2 -1,-0.2 0.910 72.9 162.9 56.7 47.1 -4.7 17.8 7.1 94 94 A Q E > S- H 0 97B 59 3,-3.1 3,-1.3 -3,-0.3 -1,-0.2 -0.850 78.6 -33.5-100.8 94.0 -1.8 20.0 8.3 95 95 A Y T 3 S- 0 0 243 -2,-0.9 -1,-0.2 1,-0.3 3,-0.1 0.900 127.6 -42.9 54.4 43.7 -1.0 22.2 5.3 96 96 A G T 3 S+ 0 0 53 1,-0.2 99,-1.5 98,-0.1 2,-0.3 0.333 124.3 81.3 95.2 -7.4 -1.9 19.4 2.9 97 97 A K E < -HI 94 194B 93 -3,-1.3 -3,-3.1 97,-0.2 2,-0.3 -0.902 64.7-135.1-129.8 157.2 -0.3 16.5 4.7 98 98 A D E - I 0 193B 0 95,-2.7 95,-2.9 -2,-0.3 2,-0.4 -0.855 19.1-152.7-103.9 149.6 -0.9 14.1 7.5 99 99 A Y E +HI 91 192B 92 -8,-2.7 -8,-2.2 -2,-0.3 2,-0.3 -0.991 16.6 176.6-125.5 129.5 1.9 13.3 10.0 100 100 A I E +HI 90 191B 0 91,-2.4 91,-2.9 -2,-0.4 2,-0.3 -0.937 5.7 155.4-130.5 151.9 2.1 10.0 11.9 101 101 A D E -H 89 0B 20 -12,-2.2 -12,-2.9 -2,-0.3 2,-0.4 -0.980 34.1-125.9-158.5 166.5 4.5 8.5 14.4 102 102 A I E -H 88 0B 0 77,-0.5 79,-2.4 -2,-0.3 2,-0.4 -0.967 30.4-161.8-113.0 143.1 4.8 6.0 17.2 103 103 A S E +Hj 87 181B 3 -16,-2.3 -16,-2.4 -2,-0.4 79,-0.2 -0.988 30.5 179.3-130.7 137.7 6.3 7.2 20.5 104 104 A N > + 0 0 0 77,-3.2 3,-2.0 -2,-0.4 78,-0.1 0.073 60.4 108.2-106.7 11.9 7.9 5.5 23.5 105 105 A I T 3 S+ 0 0 35 1,-0.3 44,-0.2 76,-0.2 -1,-0.1 0.797 86.8 41.1 -63.5 -27.5 8.6 8.8 25.2 106 106 A K T 3 S- 0 0 99 1,-0.4 -21,-2.1 -21,-0.3 -1,-0.3 -0.091 127.3 -97.4-107.8 33.7 5.8 8.0 27.7 107 107 A G < - 0 0 0 -3,-2.0 -1,-0.4 -23,-0.3 2,-0.4 -0.179 38.8 -85.2 83.3-177.3 6.8 4.4 28.0 108 108 A F B +M 145 0E 2 37,-2.5 37,-3.0 -22,-0.1 -4,-0.1 -0.993 42.9 152.7-134.7 136.2 5.6 1.2 26.3 109 109 A N + 0 0 10 1,-0.4 35,-0.1 -2,-0.4 -1,-0.1 0.625 69.4 20.7-124.8 -48.7 2.8 -1.2 27.2 110 110 A V S S- 0 0 0 -58,-0.1 -1,-0.4 20,-0.0 -58,-0.1 -0.967 79.8-109.0-130.5 139.2 1.5 -3.0 24.1 111 111 A P - 0 0 22 0, 0.0 93,-2.3 0, 0.0 2,-0.3 -0.362 43.9-170.3 -67.7 147.9 3.3 -3.6 20.7 112 112 A M E -CD 126 203A 1 14,-2.3 14,-3.0 91,-0.2 2,-0.4 -0.998 27.9-160.8-146.1 142.5 1.8 -1.6 17.9 113 113 A N E -CD 125 202A 17 89,-2.4 89,-2.7 -2,-0.3 2,-0.5 -0.974 12.1-170.1-114.6 136.6 1.8 -1.1 14.1 114 114 A F E +CD 124 201A 0 10,-3.1 10,-2.5 -2,-0.4 87,-0.2 -0.946 22.9 158.3-128.1 105.0 0.5 2.2 12.8 115 115 A S E - D 0 200A 28 85,-2.4 85,-2.8 -2,-0.5 8,-0.2 -0.946 41.8-109.9-130.0 151.0 0.1 2.1 9.0 116 116 A P E - D 0 199A 22 0, 0.0 83,-0.3 0, 0.0 4,-0.1 -0.492 12.3-159.6 -70.2 149.1 -1.8 3.9 6.3 117 117 A T S S+ 0 0 62 81,-2.5 2,-0.2 -115,-0.2 82,-0.2 0.333 78.7 63.5-104.8 1.7 -4.6 1.9 4.6 118 118 A T S S- 0 0 55 80,-0.9 3,-0.4 1,-0.1 79,-0.1 -0.606 95.2 -79.4-115.4 176.8 -4.4 4.3 1.7 119 119 A R S S+ 0 0 230 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.281 87.2 43.5 -79.0 160.3 -1.5 5.0 -0.8 120 120 A G S S+ 0 0 68 1,-0.1 2,-0.3 73,-0.1 -1,-0.2 0.511 90.6 56.3 99.8 7.4 1.6 7.0 -0.7 121 121 A d S S- 0 0 33 -3,-0.4 -1,-0.1 72,-0.1 2,-0.1 -0.981 70.0-106.7-160.0 165.6 3.5 6.5 2.6 122 122 A R - 0 0 133 -2,-0.3 2,-0.2 70,-0.2 69,-0.0 -0.443 26.2-129.2 -85.9 159.9 5.0 3.9 4.9 123 123 A G - 0 0 18 -8,-0.2 2,-0.3 -2,-0.1 -8,-0.3 -0.573 17.2-138.0 -93.6 174.6 3.8 2.6 8.3 124 124 A V E -C 114 0A 3 -10,-2.5 -10,-3.1 -2,-0.2 2,-0.3 -0.942 16.7-168.1-131.8 157.8 5.8 2.3 11.4 125 125 A R E -C 113 0A 95 -2,-0.3 54,-0.4 -12,-0.2 2,-0.3 -0.999 21.6-173.6-147.8 143.3 5.9 -0.4 14.0 126 126 A e E +C 112 0A 1 -14,-3.0 -14,-2.3 -2,-0.3 51,-0.1 -0.839 34.2 139.5-134.7 97.0 7.2 -1.1 17.5 127 127 A A + 0 0 45 -2,-0.3 50,-0.1 -16,-0.2 -1,-0.1 0.333 25.1 121.6-127.7 6.5 6.6 -4.8 18.2 128 128 A A S S- 0 0 30 48,-0.2 2,-2.2 1,-0.1 3,-0.3 -0.274 80.5 -96.3 -61.7 162.2 9.8 -6.0 20.0 129 129 A D > + 0 0 99 1,-0.2 4,-2.0 2,-0.1 5,-0.1 -0.426 61.1 157.2 -82.8 67.7 9.3 -7.5 23.5 130 130 A I H > + 0 0 0 -2,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.872 69.7 53.5 -62.9 -37.2 10.0 -4.3 25.3 131 131 A V H >4 S+ 0 0 54 -3,-0.3 3,-1.0 1,-0.2 -1,-0.2 0.959 110.5 46.1 -65.0 -46.6 8.1 -5.3 28.4 132 132 A G H 34 S+ 0 0 52 1,-0.3 -1,-0.2 13,-0.0 -2,-0.2 0.870 120.1 39.9 -62.2 -37.3 10.0 -8.6 28.8 133 133 A Q H 3< S+ 0 0 111 -4,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.439 84.4 136.8 -89.1 -1.1 13.4 -6.9 28.2 134 134 A f << - 0 0 5 -3,-1.0 5,-0.1 -4,-0.8 -3,-0.1 -0.170 63.1-109.5 -54.4 131.0 12.5 -3.8 30.3 135 135 A P >> - 0 0 29 0, 0.0 3,-1.9 0, 0.0 4,-0.9 -0.303 31.6-110.7 -62.1 146.9 15.5 -2.8 32.5 136 136 A A G >4 S+ 0 0 81 1,-0.3 3,-1.1 2,-0.2 -2,-0.1 0.849 115.5 51.4 -49.8 -46.6 14.7 -3.5 36.1 137 137 A K G 34 S+ 0 0 117 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.736 109.8 50.7 -65.1 -26.1 14.4 0.2 37.2 138 138 A L G <4 S+ 0 0 0 -3,-1.9 8,-3.1 2,-0.1 -1,-0.2 0.527 78.7 118.8 -90.5 -7.4 12.0 1.0 34.4 139 139 A K B << -N 145 0E 120 -3,-1.1 6,-0.2 -4,-0.9 5,-0.0 -0.403 61.9-136.3 -62.6 131.1 9.6 -1.9 35.1 140 140 A A > - 0 0 14 4,-2.3 3,-2.2 1,-0.1 -1,-0.1 -0.758 5.5-137.4 -91.7 130.0 6.2 -0.5 36.0 141 141 A P T 3 S+ 0 0 138 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.866 105.7 47.8 -54.7 -35.6 4.5 -2.2 39.1 142 142 A G T 3 S- 0 0 28 1,-0.3 2,-0.1 -75,-0.2 -75,-0.1 0.387 130.4 -79.1 -87.0 2.9 1.1 -2.3 37.3 143 143 A G S < S+ 0 0 26 -3,-2.2 -1,-0.3 1,-0.3 2,-0.1 -0.159 87.6 59.2 113.2 151.1 2.6 -3.6 34.1 144 144 A G S S- 0 0 12 -35,-0.1 -4,-2.3 -3,-0.1 2,-0.5 -0.284 81.0 -72.8 89.4-175.0 4.6 -2.3 31.1 145 145 A f B -MN 108 139E 0 -37,-3.0 -37,-2.5 -6,-0.2 -6,-0.2 -0.971 42.2-140.9-130.7 112.1 7.9 -0.4 30.8 146 146 A N - 0 0 22 -8,-3.1 -39,-0.2 -2,-0.5 2,-0.1 -0.392 18.3-115.1 -72.0 148.4 8.2 3.2 32.0 147 147 A D > - 0 0 10 1,-0.1 4,-1.5 -2,-0.1 5,-0.1 -0.485 31.4-113.7 -70.9 158.7 10.3 5.8 30.2 148 148 A A H >>S+ 0 0 9 1,-0.2 4,-2.8 2,-0.2 5,-0.6 0.770 112.5 58.5 -68.5 -31.5 13.3 7.1 32.2 149 149 A g H >5S+ 0 0 28 8,-0.3 4,-2.1 -44,-0.2 -1,-0.2 0.966 105.9 49.8 -67.1 -44.6 11.9 10.7 32.7 150 150 A T H 45S+ 0 0 51 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.913 117.8 40.0 -56.3 -44.5 8.8 9.3 34.4 151 151 A V H <5S+ 0 0 47 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.937 129.5 23.9 -69.8 -50.4 10.9 7.1 36.8 152 152 A F H <5S- 0 0 66 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.793 76.6-156.3 -97.1 -34.0 13.8 9.4 37.6 153 153 A Q << + 0 0 140 -4,-2.1 2,-0.3 -5,-0.6 -4,-0.1 0.882 45.3 135.5 55.3 44.6 12.5 13.0 37.0 154 154 A T >> - 0 0 63 -6,-0.2 4,-2.0 1,-0.1 3,-0.6 -0.828 68.9-114.2-112.5 159.8 15.9 14.5 36.5 155 155 A S H 3> S+ 0 0 96 -2,-0.3 4,-2.2 1,-0.2 -1,-0.1 0.811 112.2 65.5 -58.0 -36.9 17.0 16.9 33.7 156 156 A E H 34 S+ 0 0 116 1,-0.2 9,-0.4 2,-0.2 -1,-0.2 0.907 117.0 26.4 -54.2 -39.2 19.3 14.3 32.1 157 157 A Y H <4 S+ 0 0 56 -3,-0.6 -8,-0.3 -9,-0.1 -1,-0.2 0.689 130.9 39.0 -96.5 -25.3 16.2 12.1 31.3 158 158 A g H < S+ 0 0 37 -4,-2.0 -3,-0.2 -9,-0.1 -2,-0.2 0.470 78.7 131.2-107.8 -3.3 13.5 14.8 31.1 159 159 A h < + 0 0 21 -4,-2.2 25,-0.3 -5,-0.2 26,-0.2 -0.147 27.4 177.6 -56.5 140.5 15.3 17.7 29.4 160 160 A T S S+ 0 0 85 1,-0.3 2,-0.3 24,-0.1 -1,-0.2 0.442 76.4 37.1-118.8 -13.0 13.5 19.2 26.4 161 161 A T S S- 0 0 130 2,-0.1 -1,-0.3 24,-0.0 2,-0.3 -0.996 97.9 -7.0-133.3 146.0 16.3 21.8 25.9 162 162 A G S S+ 0 0 55 -2,-0.3 2,-0.3 2,-0.2 0, 0.0 -0.993 104.4 27.5 164.8-165.5 20.0 21.4 26.3 163 163 A K S S+ 0 0 220 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.799 93.5 140.6 54.6 45.0 22.6 20.1 27.0 164 164 A h + 0 0 34 -2,-0.3 -2,-0.2 -4,-0.1 -8,-0.1 -0.934 13.7 135.6-165.0 127.9 20.4 17.1 26.2 165 165 A G - 0 0 25 -9,-0.4 -6,-0.1 -2,-0.3 19,-0.1 -0.881 50.5 -50.1-160.3-170.4 20.9 13.8 24.5 166 166 A P - 0 0 75 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.238 44.5-166.4 -72.5 162.6 20.2 10.1 24.5 167 167 A T > - 0 0 19 -10,-0.1 4,-3.1 1,-0.1 5,-0.2 -0.886 41.1 -96.3-135.2 169.9 21.0 7.9 27.5 168 168 A E H > S+ 0 0 128 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.903 125.8 52.5 -55.4 -37.9 21.2 4.1 28.0 169 169 A Y H > S+ 0 0 64 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.847 112.5 42.4 -72.8 -30.6 17.6 4.2 29.2 170 170 A S H >> S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 3,-0.6 0.907 113.4 54.1 -74.2 -37.7 16.3 6.1 26.1 171 171 A R H 3X S+ 0 0 92 -4,-3.1 4,-3.1 1,-0.2 5,-0.3 0.793 94.6 69.8 -65.3 -25.8 18.5 3.8 23.9 172 172 A F H 3X S+ 0 0 26 -4,-1.7 4,-1.3 -5,-0.2 -1,-0.2 0.946 108.1 36.0 -51.7 -50.5 16.9 0.8 25.4 173 173 A F H < + 0 0 3 -4,-2.5 3,-1.7 3,-0.1 -1,-0.3 -0.709 64.1 171.0-133.7 79.2 12.2 0.0 18.2 178 178 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.755 78.0 59.3 -57.4 -27.2 14.3 2.2 15.8 179 179 A D T 3 S+ 0 0 60 -54,-0.4 -77,-0.5 2,-0.1 2,-0.3 0.216 95.7 74.3 -94.6 15.9 11.2 3.6 14.1 180 180 A A S < S- 0 0 0 -3,-1.7 -77,-0.3 -6,-0.1 2,-0.1 -0.955 89.7-101.9-123.1 146.6 9.6 5.1 17.4 181 181 A F B +j 103 0B 24 -79,-2.4 -77,-3.2 -2,-0.3 -76,-0.2 -0.436 33.5 178.4 -61.8 137.8 10.6 8.2 19.3 182 182 A S + 0 0 9 1,-0.4 2,-0.3 -79,-0.2 -1,-0.1 0.623 68.1 8.5-114.3 -22.5 12.6 7.4 22.5 183 183 A Y S > S- 0 0 43 -36,-0.1 3,-1.9 -12,-0.0 -1,-0.4 -0.963 84.7 -98.3-153.9 163.9 13.3 10.9 23.8 184 184 A V T 3 S+ 0 0 67 -2,-0.3 -24,-0.1 1,-0.3 -26,-0.0 0.806 119.1 44.8 -61.8 -33.0 12.0 14.3 22.9 185 185 A L T 3 S+ 0 0 77 -26,-0.2 -1,-0.3 -20,-0.1 -25,-0.0 0.211 79.4 132.6 -97.1 17.7 15.1 15.2 20.8 186 186 A D S < S- 0 0 18 -3,-1.9 3,-0.1 1,-0.1 -5,-0.1 -0.319 76.9 -89.8 -56.9 150.5 15.5 12.0 18.8 187 187 A K - 0 0 178 1,-0.1 -1,-0.1 2,-0.1 -2,-0.0 -0.404 66.2 -94.4 -54.6 127.7 16.0 12.4 15.1 188 188 A P - 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -8,-0.0 -0.226 36.4-171.2 -58.6 140.7 12.3 12.3 14.0 189 189 A T + 0 0 26 -87,-0.1 -87,-0.1 -3,-0.1 2,-0.1 0.107 41.6 137.0-111.6 19.9 10.7 9.1 12.9 190 190 A T - 0 0 55 -89,-0.1 2,-0.4 -91,-0.1 -89,-0.2 -0.390 45.1-143.3 -66.4 139.6 7.5 10.9 11.8 191 191 A V E -I 100 0B 14 -91,-2.9 -91,-2.4 -2,-0.1 2,-0.6 -0.900 4.4-142.1-105.7 134.4 6.0 9.8 8.5 192 192 A T E -I 99 0B 73 -2,-0.4 -93,-0.2 -93,-0.2 -70,-0.2 -0.876 25.9-179.6 -96.6 122.1 4.5 12.3 6.1 193 193 A d E -I 98 0B 1 -95,-2.9 -95,-2.7 -2,-0.6 -73,-0.1 -0.793 38.1 -82.6-114.2 158.8 1.4 10.9 4.4 194 194 A P E > -I 97 0B 43 0, 0.0 3,-1.1 0, 0.0 -97,-0.2 -0.276 60.6 -91.3 -53.5 146.3 -1.0 12.4 1.9 195 195 A G T 3 S+ 0 0 25 -99,-1.5 -98,-0.1 1,-0.2 -103,-0.1 -0.312 110.9 22.7 -56.8 143.7 -3.6 14.6 3.5 196 196 A S T 3 S+ 0 0 76 1,-0.2 -1,-0.2 -3,-0.1 -104,-0.0 0.763 84.9 159.0 65.8 32.0 -6.8 12.7 4.3 197 197 A S < - 0 0 3 -3,-1.1 2,-0.3 -196,-0.1 -1,-0.2 -0.295 35.6-129.1 -70.4 163.3 -5.2 9.3 4.4 198 198 A N - 0 0 48 -197,-0.2 -81,-2.5 -195,-0.0 -80,-0.9 -0.820 27.9-161.9-109.5 162.1 -6.9 6.4 6.3 199 199 A Y E -bD 3 116A 2 -197,-2.6 -195,-2.4 -83,-0.3 2,-0.4 -0.911 20.1-146.8-144.0 161.1 -5.1 4.3 8.9 200 200 A R E -bD 4 115A 90 -85,-2.8 -85,-2.4 -2,-0.3 2,-0.6 -0.995 8.0-162.7-130.9 130.6 -5.0 1.1 10.9 201 201 A V E -bD 5 114A 0 -197,-2.7 -195,-2.7 -2,-0.4 2,-0.5 -0.965 15.7-169.2-106.5 118.9 -3.6 0.8 14.4 202 202 A T E -bD 6 113A 10 -89,-2.7 -89,-2.4 -2,-0.6 2,-0.4 -0.951 12.8-149.1-114.1 124.1 -2.9 -2.9 15.2 203 203 A F E S+bD 7 112A 0 -197,-3.0 -195,-2.4 -2,-0.5 -91,-0.2 -0.736 87.2 5.6 -86.9 136.2 -2.0 -4.1 18.7 204 204 A a S S- 0 0 31 -93,-2.3 -1,-0.3 -2,-0.4 -92,-0.1 0.961 94.4-152.4 53.1 58.9 0.3 -7.1 18.6 205 205 A P - 0 0 16 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.195 21.5 -94.2 -61.2 152.3 0.7 -7.0 14.9 206 206 A T 0 0 97 1,-0.1 -2,-0.0 0, 0.0 -4,-0.0 -0.439 360.0 360.0 -67.9 130.1 1.4 -10.2 12.9 207 207 A A 0 0 152 -2,-0.2 -1,-0.1 -3,-0.1 0, 0.0 -0.393 360.0 360.0 -66.8 360.0 5.2 -10.6 12.4