==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 24-AUG-11 3VHG . COMPND 2 MOLECULE: THAUMATIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: THAUMATOCOCCUS DANIELLII; . AUTHOR T.MASUDA,B.MIKAMI,N.KITABATAKE,F.TANI . 207 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9731.0 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 . 58 28.0 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 . 16 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.2 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 . 0 0.0 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 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 2 2 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 25 0, 0.0 40,-2.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 147.3 10.5 9.8 -7.8 2 2 A T E -A 40 0A 63 38,-0.2 197,-2.6 195,-0.1 2,-0.5 -0.865 360.0-174.3-100.9 132.1 11.0 6.2 -8.7 3 3 A F E -Ab 39 199A 0 36,-2.4 36,-2.8 -2,-0.5 2,-0.5 -0.993 8.5-160.0-122.1 121.6 8.9 4.5 -11.3 4 4 A E E -Ab 38 200A 49 195,-2.4 197,-2.5 -2,-0.5 2,-0.5 -0.908 7.6-162.8 -98.5 126.0 9.3 0.7 -11.8 5 5 A I E -Ab 37 201A 0 32,-3.0 32,-2.4 -2,-0.5 2,-0.5 -0.963 10.8-173.1-114.4 116.9 8.0 -0.3 -15.3 6 6 A V E -Ab 36 202A 5 195,-2.7 197,-3.0 -2,-0.5 2,-0.9 -0.955 18.2-152.5-123.4 126.2 7.3 -4.1 -15.5 7 7 A N E + b 0 203A 0 28,-3.0 27,-2.5 -2,-0.5 28,-0.1 -0.830 24.6 161.9 -97.4 103.3 6.4 -6.1 -18.6 8 8 A R + 0 0 129 195,-2.5 196,-0.2 -2,-0.9 -1,-0.1 0.360 42.2 113.9 -96.9 4.4 4.4 -9.1 -17.5 9 9 A a S S- 0 0 1 2,-0.2 25,-0.3 194,-0.2 4,-0.1 -0.322 75.6-125.2 -69.2 160.2 3.0 -9.7 -21.1 10 10 A S S S+ 0 0 116 23,-0.1 23,-0.3 2,-0.1 2,-0.3 0.738 93.8 65.6 -74.2 -25.1 4.0 -12.7 -23.1 11 11 A Y S S- 0 0 96 21,-0.1 -2,-0.2 1,-0.1 2,-0.1 -0.658 94.4-100.7 -96.4 154.5 5.2 -10.4 -25.9 12 12 A T - 0 0 41 -2,-0.3 43,-0.4 21,-0.1 2,-0.4 -0.451 37.9-168.8 -62.4 141.9 8.1 -8.0 -25.9 13 13 A V E -E 31 0B 0 18,-2.3 18,-3.0 -2,-0.1 2,-0.8 -0.988 21.3-136.6-131.2 154.4 7.2 -4.4 -25.4 14 14 A W E -EF 30 53B 29 39,-2.6 39,-1.0 -2,-0.4 16,-0.3 -0.896 29.2-145.6-106.3 98.9 9.4 -1.3 -25.9 15 15 A A E -EF 29 52B 0 14,-2.2 14,-1.8 -2,-0.8 2,-0.3 -0.375 15.3-163.8 -65.1 154.4 8.5 0.9 -22.9 16 16 A A E -EF 28 51B 0 35,-2.3 35,-1.9 12,-0.2 2,-0.3 -0.989 12.4-175.2-142.3 146.6 8.6 4.7 -23.3 17 17 A A E + F 0 50B 0 10,-2.1 7,-2.2 -2,-0.3 2,-0.3 -0.955 21.4 145.7-147.3 121.9 8.7 7.5 -20.9 18 18 A S E -EF 23 49B 0 31,-2.2 31,-2.6 -2,-0.3 5,-0.2 -0.982 46.2-146.5-152.0 156.2 8.4 11.2 -21.9 19 19 A K - 0 0 80 3,-2.6 2,-0.1 -2,-0.3 4,-0.1 0.136 63.7-101.1-112.4 20.7 7.0 14.6 -20.9 20 20 A G S S+ 0 0 11 2,-0.5 60,-0.4 29,-0.1 3,-0.1 -0.134 117.3 45.2 98.3 -36.9 6.3 15.6 -24.5 21 21 A D S S+ 0 0 106 1,-0.2 2,-0.3 -2,-0.1 58,-0.2 0.270 122.3 18.5-115.2 5.1 9.4 17.8 -25.1 22 22 A A S S- 0 0 33 56,-0.2 -3,-2.6 5,-0.0 -2,-0.5 -0.962 81.4 -95.7-166.2 154.5 12.0 15.5 -23.6 23 23 A A E -E 18 0B 37 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.376 29.8-131.3 -63.0 150.7 12.6 11.9 -22.5 24 24 A L E > S- 0 0 9 -7,-2.2 3,-2.3 53,-0.3 -7,-0.1 -0.953 78.1 -35.3 -97.9 127.7 12.1 10.9 -18.8 25 25 A D E 3 S- 0 0 86 -2,-0.5 -2,-0.1 1,-0.3 14,-0.1 -0.325 136.0 -14.2 54.8-135.2 15.3 9.0 -17.9 26 26 A A E 3 S- 0 0 40 1,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.545 88.1-133.8 -75.6 -9.0 16.5 7.1 -20.9 27 27 A G E < S+ 0 0 0 -3,-2.3 -10,-2.1 49,-0.2 50,-0.5 0.028 72.8 17.9 84.4 -30.5 13.1 7.6 -22.7 28 28 A G E -E 16 0B 0 -2,-0.5 2,-0.3 -12,-0.2 -12,-0.2 -0.980 55.7-179.7-165.7 161.1 12.7 4.0 -23.8 29 29 A R E -E 15 0B 76 -14,-1.8 -14,-2.2 -2,-0.3 2,-0.3 -0.903 32.7-113.3-167.4 131.4 13.9 0.5 -23.3 30 30 A Q E -E 14 0B 85 -2,-0.3 2,-0.5 -16,-0.3 -16,-0.2 -0.540 31.2-168.0 -64.7 128.8 13.1 -3.0 -24.7 31 31 A L E -E 13 0B 0 -18,-3.0 -18,-2.3 -2,-0.3 3,-0.1 -0.936 4.3-158.8-121.2 104.3 11.4 -5.2 -22.1 32 32 A N > - 0 0 63 -2,-0.5 3,-2.7 -20,-0.2 -25,-0.2 -0.291 53.6 -56.0 -68.3 168.4 11.2 -8.9 -23.0 33 33 A S T 3 S+ 0 0 67 -23,-0.3 -25,-0.2 1,-0.3 -1,-0.2 -0.237 129.0 10.0 -51.9 128.7 8.5 -10.9 -21.2 34 34 A G T 3 S+ 0 0 48 -27,-2.5 -1,-0.3 -25,-0.3 2,-0.2 0.260 98.0 129.1 84.9 -5.6 9.0 -10.6 -17.5 35 35 A E < - 0 0 72 -3,-2.7 -28,-3.0 -28,-0.1 2,-0.3 -0.443 39.0-158.0 -82.6 155.9 11.6 -7.8 -17.6 36 36 A S E -A 6 0A 46 -30,-0.2 2,-0.4 -2,-0.2 -30,-0.2 -0.873 9.6-158.0-130.1 164.9 11.5 -4.6 -15.7 37 37 A W E -A 5 0A 20 -32,-2.4 -32,-3.0 -2,-0.3 2,-0.5 -0.983 7.9-156.6-141.6 120.3 13.0 -1.1 -15.9 38 38 A T E -A 4 0A 83 -2,-0.4 2,-0.3 -34,-0.2 -34,-0.2 -0.902 19.2-177.5-105.9 125.9 13.3 1.3 -13.0 39 39 A I E -A 3 0A 4 -36,-2.8 -36,-2.4 -2,-0.5 2,-0.5 -0.829 26.0-128.6-119.0 158.0 13.6 5.0 -13.9 40 40 A N E -A 2 0A 75 -2,-0.3 2,-0.5 -38,-0.2 -38,-0.2 -0.932 20.9-165.1-102.4 127.5 14.1 8.2 -12.0 41 41 A V - 0 0 1 -40,-2.8 3,-0.1 -2,-0.5 4,-0.1 -0.966 26.7-116.7-113.1 125.1 11.5 10.9 -12.8 42 42 A E > - 0 0 120 -2,-0.5 3,-1.6 1,-0.1 50,-0.2 -0.283 32.7-101.6 -64.3 141.6 12.5 14.3 -11.6 43 43 A P T 3 S+ 0 0 81 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.271 108.3 32.4 -55.0 145.8 10.3 16.0 -9.0 44 44 A G T 3 S+ 0 0 39 1,-0.3 2,-0.3 -3,-0.1 49,-0.1 0.480 76.2 157.7 82.7 4.0 8.0 18.5 -10.5 45 45 A T < - 0 0 10 -3,-1.6 47,-3.0 46,-0.1 2,-0.4 -0.479 24.2-163.3 -60.5 117.9 7.6 16.7 -13.8 46 46 A N + 0 0 97 -2,-0.3 45,-0.2 45,-0.3 47,-0.0 -0.874 64.6 9.0-103.6 134.6 4.3 18.0 -15.2 47 47 A G S S+ 0 0 31 -2,-0.4 44,-0.2 1,-0.2 -1,-0.2 0.815 82.3 164.5 67.5 37.0 2.5 16.1 -17.9 48 48 A G E - G 0 90B 1 42,-2.5 42,-2.5 -3,-0.3 2,-0.3 -0.519 14.2-170.0 -80.3 152.2 4.6 12.9 -17.9 49 49 A K E -FG 18 89B 43 -31,-2.6 -31,-2.2 40,-0.2 2,-0.4 -0.997 13.2-164.4-142.3 149.0 3.4 9.7 -19.6 50 50 A I E +FG 17 88B 0 38,-2.3 38,-2.6 -2,-0.3 2,-0.3 -0.984 22.7 159.1-125.7 139.3 4.6 6.1 -19.8 51 51 A W E -F 16 0B 1 -35,-1.9 -35,-2.3 -2,-0.4 2,-0.3 -0.969 35.0-113.0-152.3 165.6 3.3 3.7 -22.4 52 52 A A E -F 15 0B 1 34,-0.4 2,-0.4 -2,-0.3 -37,-0.2 -0.799 20.4-153.6 -97.5 150.2 4.2 0.4 -24.2 53 53 A R E -F 14 0B 0 -39,-1.0 -39,-2.6 -2,-0.3 2,-0.3 -0.977 13.4-150.2-120.8 136.7 5.1 0.1 -27.8 54 54 A T E +K 68 0C 26 14,-0.5 13,-1.5 -2,-0.4 14,-1.3 -0.813 62.9 6.3-112.7 150.0 4.4 -3.1 -29.7 55 55 A D E S+ 0 0 95 -43,-0.4 12,-0.6 -2,-0.3 2,-0.2 0.902 81.8 161.4 49.4 59.6 6.1 -4.9 -32.6 56 56 A b E -K 66 0C 9 10,-0.2 2,-0.3 -3,-0.2 10,-0.3 -0.627 24.9-168.0 -95.1 158.7 9.1 -2.6 -33.0 57 57 A Y E -K 65 0C 158 8,-2.1 8,-2.3 -2,-0.2 2,-0.3 -0.976 8.8-179.3-145.8 146.9 12.4 -2.9 -34.7 58 58 A F E -K 64 0C 45 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.962 20.1-129.5-139.1 152.2 15.5 -0.7 -34.3 59 59 A D > - 0 0 87 4,-2.4 3,-2.1 -2,-0.3 5,-0.0 -0.258 46.9 -84.4 -92.5-179.6 18.9 -0.5 -35.7 60 60 A D T 3 S+ 0 0 180 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.732 128.6 57.5 -62.5 -23.7 22.2 -0.2 -33.8 61 61 A S T 3 S- 0 0 101 2,-0.2 -1,-0.3 14,-0.0 3,-0.1 0.447 120.0-106.6 -83.1 -3.0 21.7 3.6 -33.7 62 62 A G S < S+ 0 0 15 -3,-2.1 13,-2.5 1,-0.3 2,-0.4 0.695 77.9 132.2 81.6 24.0 18.3 3.4 -32.0 63 63 A S B +L 74 0D 60 11,-0.2 -4,-2.4 12,-0.1 -1,-0.3 -0.872 26.7 90.5-106.6 136.0 16.4 4.3 -35.2 64 64 A G E -K 58 0C 21 9,-2.8 2,-0.3 -2,-0.4 -6,-0.2 -0.897 60.8 -81.6 174.2-145.7 13.4 2.3 -36.4 65 65 A I E -K 57 0C 69 -8,-2.3 -8,-2.1 -2,-0.3 2,-0.3 -0.993 17.9-154.1-157.8 146.0 9.6 1.9 -36.1 66 66 A b E -K 56 0C 2 -2,-0.3 4,-0.4 -10,-0.3 -10,-0.2 -0.943 19.5-138.2-119.4 145.7 6.9 0.5 -33.9 67 67 A K E S+ 0 0 116 -13,-1.5 2,-0.4 -12,-0.6 75,-0.2 0.757 94.6 27.0 -78.8 -23.0 3.4 -0.6 -34.9 68 68 A T E S+K 54 0C 2 -14,-1.3 -14,-0.5 1,-0.1 -1,-0.2 -0.995 128.6 7.7-131.1 144.5 1.9 1.0 -31.8 69 69 A G S S+ 0 0 0 13,-2.0 -2,-0.1 -2,-0.4 16,-0.1 0.604 73.9 176.8 73.7 14.2 3.1 4.0 -29.9 70 70 A D - 0 0 11 -4,-0.4 12,-2.2 11,-0.2 2,-0.6 -0.264 17.8-155.6 -56.1 136.4 6.0 5.0 -32.2 71 71 A c > - 0 0 5 3,-0.4 3,-1.6 10,-0.2 7,-0.3 -0.772 68.0 -53.0-115.9 80.4 7.8 8.1 -31.0 72 72 A G T 3 S- 0 0 73 -2,-0.6 3,-0.1 1,-0.3 -8,-0.1 0.814 100.6 -64.9 59.5 30.8 9.4 9.7 -34.1 73 73 A G T 3 S+ 0 0 13 1,-0.2 -9,-2.8 -10,-0.1 2,-0.4 0.662 102.0 132.0 72.3 17.7 11.1 6.5 -35.0 74 74 A L B < -L 63 0D 54 -3,-1.6 -3,-0.4 -11,-0.2 -1,-0.2 -0.810 55.1-153.1-108.8 144.8 13.3 6.4 -31.9 75 75 A L S S+ 0 0 28 -13,-2.5 2,-1.1 -2,-0.4 -1,-0.1 0.907 98.8 53.6 -64.0 -48.0 14.1 3.7 -29.3 76 76 A R S S- 0 0 124 -14,-0.4 -1,-0.2 -48,-0.1 -48,-0.2 -0.758 96.3-138.8 -95.9 91.0 14.7 6.4 -26.7 77 77 A c + 0 0 0 -2,-1.1 -53,-0.3 -50,-0.5 -60,-0.2 -0.341 32.6 171.0 -64.7 133.2 11.6 8.5 -26.8 78 78 A K S S+ 0 0 127 -7,-0.3 -59,-0.3 -55,-0.1 2,-0.2 0.520 72.4 24.3-102.3 -24.4 11.8 12.3 -26.6 79 79 A R S S- 0 0 159 -58,-0.2 -58,-0.1 -8,-0.1 -62,-0.1 -0.790 97.6 -66.8-138.5 178.7 8.1 12.9 -27.4 80 80 A F - 0 0 82 -60,-0.4 -8,-0.2 -2,-0.2 2,-0.2 -0.247 52.7-109.6 -75.9 161.7 4.7 11.1 -27.2 81 81 A G - 0 0 18 -10,-0.1 -10,-0.2 1,-0.1 -11,-0.2 -0.497 26.8 -97.0 -95.9 159.4 3.8 8.1 -29.2 82 82 A R - 0 0 135 -12,-2.2 -13,-2.0 -2,-0.2 -12,-0.2 -0.486 62.5 -72.4 -71.0 133.5 1.4 7.4 -32.1 83 83 A P S S+ 0 0 30 0, 0.0 24,-0.2 0, 0.0 63,-0.1 -0.263 101.8 68.3 -58.7 154.7 -2.0 6.0 -31.2 84 84 A P S S+ 0 0 3 0, 0.0 2,-0.3 0, 0.0 23,-0.3 0.308 71.7 140.9 -87.1 135.5 -3.1 3.5 -30.2 85 85 A T - 0 0 2 21,-2.1 21,-0.4 60,-0.1 2,-0.3 -0.927 48.0-139.9-142.3 116.5 -1.5 3.8 -26.8 86 86 A T - 0 0 1 -2,-0.3 2,-0.5 -34,-0.1 -34,-0.4 -0.584 38.3-144.9 -63.6 131.7 -2.8 3.0 -23.3 87 87 A L E - H 0 103B 10 16,-2.3 16,-2.2 -2,-0.3 2,-0.6 -0.911 24.6-161.8-117.8 127.6 -1.4 5.9 -21.3 88 88 A A E -GH 50 102B 0 -38,-2.6 -38,-2.3 -2,-0.5 2,-0.4 -0.908 29.6-169.7 -92.6 117.4 -0.1 6.1 -17.7 89 89 A E E +GH 49 101B 31 12,-2.8 12,-2.2 -2,-0.6 2,-0.3 -0.921 10.8 168.5-118.5 139.1 -0.3 9.9 -17.1 90 90 A F E -GH 48 100B 3 -42,-2.5 -42,-2.5 -2,-0.4 2,-0.4 -0.998 24.2-168.7-153.6 145.7 1.2 11.7 -14.1 91 91 A S E - H 0 99B 26 8,-2.2 8,-2.7 -2,-0.3 2,-0.3 -0.995 26.7-154.1-134.5 124.0 2.0 15.2 -12.9 92 92 A L E + 0 0 0 -47,-3.0 6,-0.2 -2,-0.4 3,-0.1 -0.761 61.6 6.7-110.1 146.1 4.2 15.3 -9.8 93 93 A N E S+ 0 0 50 -2,-0.3 2,-0.9 1,-0.2 -1,-0.2 0.922 73.0 163.4 54.1 48.3 4.6 17.8 -6.9 94 94 A Q E > S- H 0 97B 49 3,-3.2 3,-1.3 -3,-0.3 -1,-0.2 -0.855 78.7 -32.6-100.0 95.2 1.8 20.0 -8.1 95 95 A Y T 3 S- 0 0 234 -2,-0.9 -1,-0.2 1,-0.3 3,-0.1 0.900 127.7 -44.2 54.0 43.5 1.0 22.2 -5.1 96 96 A G T 3 S+ 0 0 47 1,-0.2 99,-1.4 98,-0.1 2,-0.3 0.367 123.9 83.5 92.9 -4.3 1.9 19.4 -2.8 97 97 A K E < -HI 94 194B 96 -3,-1.3 -3,-3.2 97,-0.2 2,-0.4 -0.904 64.7-134.4-129.4 156.0 0.2 16.5 -4.5 98 98 A D E - I 0 193B 0 95,-2.7 95,-3.0 -2,-0.3 2,-0.4 -0.870 18.6-153.4-103.9 149.0 0.8 14.0 -7.3 99 99 A Y E +HI 91 192B 91 -8,-2.7 -8,-2.2 -2,-0.4 2,-0.3 -0.990 17.1 176.1-126.4 124.3 -1.9 13.3 -9.9 100 100 A I E +HI 90 191B 0 91,-2.4 91,-3.0 -2,-0.4 2,-0.3 -0.919 5.5 154.6-128.1 151.2 -2.1 10.0 -11.8 101 101 A D E -H 89 0B 18 -12,-2.2 -12,-2.8 -2,-0.3 2,-0.4 -0.988 35.5-123.9-158.3 166.3 -4.5 8.4 -14.2 102 102 A I E -H 88 0B 0 77,-0.5 79,-2.2 -2,-0.3 2,-0.4 -0.965 31.6-162.8-109.3 141.1 -4.8 5.9 -17.0 103 103 A S E -Hj 87 181B 1 -16,-2.2 -16,-2.3 -2,-0.4 79,-0.1 -0.986 30.2-179.4-129.9 136.7 -6.2 7.2 -20.3 104 104 A N > + 0 0 0 77,-3.0 3,-2.0 -2,-0.4 78,-0.1 0.085 60.3 108.7-105.4 13.2 -7.7 5.6 -23.4 105 105 A I T 3 S+ 0 0 37 1,-0.3 44,-0.3 76,-0.2 79,-0.1 0.790 86.5 41.0 -62.8 -29.4 -8.2 9.0 -25.1 106 106 A K T 3 S- 0 0 94 1,-0.4 -21,-2.1 -21,-0.4 -1,-0.3 -0.036 126.9-100.6-104.6 28.5 -5.4 8.0 -27.5 107 107 A G < - 0 0 0 -3,-2.0 -1,-0.4 -23,-0.3 2,-0.4 -0.286 38.3 -82.0 84.1-172.5 -6.6 4.4 -27.8 108 108 A F B +M 145 0E 3 37,-2.5 37,-3.0 -22,-0.1 -23,-0.1 -0.999 43.9 152.0-136.6 134.5 -5.5 1.2 -26.2 109 109 A N + 0 0 11 1,-0.4 35,-0.1 -2,-0.4 -1,-0.1 0.651 70.0 21.8-123.8 -48.8 -2.7 -1.2 -27.1 110 110 A V S S- 0 0 0 -58,-0.1 -1,-0.4 20,-0.0 -58,-0.1 -0.969 81.0-106.8-131.1 137.8 -1.5 -3.0 -23.9 111 111 A P - 0 0 23 0, 0.0 93,-2.4 0, 0.0 2,-0.4 -0.367 44.7-166.2 -64.5 149.5 -3.3 -3.7 -20.6 112 112 A M E -CD 126 203A 1 14,-2.3 14,-2.9 91,-0.2 2,-0.4 -0.992 28.3-165.9-145.8 137.6 -2.0 -1.6 -17.8 113 113 A D E -CD 125 202A 19 89,-2.4 89,-2.8 -2,-0.4 2,-0.5 -0.984 11.4-172.0-115.5 138.1 -1.9 -1.2 -14.0 114 114 A F E +CD 124 201A 0 10,-3.1 10,-2.5 -2,-0.4 87,-0.2 -0.955 22.2 157.9-130.7 106.9 -0.6 2.1 -12.6 115 115 A S E - D 0 200A 28 85,-2.4 85,-2.7 -2,-0.5 8,-0.2 -0.949 42.1-108.5-131.9 149.7 -0.3 2.0 -8.8 116 116 A P E - D 0 199A 22 0, 0.0 83,-0.3 0, 0.0 4,-0.1 -0.491 12.4-158.9 -68.9 149.9 1.7 3.8 -6.1 117 117 A T S S+ 0 0 61 81,-2.5 2,-0.2 -115,-0.2 82,-0.2 0.328 80.0 63.2-105.3 -0.6 4.5 1.8 -4.4 118 118 A T S S- 0 0 54 80,-0.9 3,-0.3 1,-0.1 79,-0.1 -0.634 96.0 -84.0-111.2 176.0 4.2 4.2 -1.4 119 119 A R S S+ 0 0 226 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.279 85.7 46.4 -80.4 160.4 1.2 4.7 0.9 120 120 A G S S+ 0 0 67 1,-0.1 2,-0.3 73,-0.1 -1,-0.2 0.557 88.8 57.2 102.1 7.6 -1.9 6.7 0.8 121 121 A d S S- 0 0 31 -3,-0.3 -1,-0.1 72,-0.1 2,-0.1 -0.982 72.6-103.8-157.5 163.6 -3.7 6.5 -2.5 122 122 A R - 0 0 136 -2,-0.3 2,-0.2 70,-0.2 69,-0.1 -0.411 25.5-129.3 -83.0 164.0 -5.3 3.9 -4.8 123 123 A G - 0 0 19 -8,-0.2 2,-0.3 -2,-0.1 -8,-0.2 -0.585 18.2-141.4 -95.8 171.7 -4.0 2.5 -8.1 124 124 A V E -C 114 0A 3 -10,-2.5 -10,-3.1 -2,-0.2 2,-0.3 -0.942 15.0-168.2-133.5 157.4 -5.9 2.3 -11.3 125 125 A R E -C 113 0A 94 -2,-0.3 54,-0.4 -12,-0.2 2,-0.3 -1.000 21.6-172.4-148.7 145.8 -6.1 -0.4 -14.0 126 126 A e E +C 112 0A 1 -14,-2.9 -14,-2.3 -2,-0.3 51,-0.1 -0.850 34.1 140.2-136.3 98.2 -7.3 -1.0 -17.5 127 127 A A + 0 0 46 -2,-0.3 50,-0.1 -16,-0.2 -1,-0.1 0.312 24.8 120.9-128.6 6.8 -6.8 -4.7 -18.2 128 128 A A S S- 0 0 33 48,-0.3 2,-2.3 1,-0.1 3,-0.3 -0.284 80.4 -96.7 -62.3 160.9 -9.9 -5.9 -20.1 129 129 A D > + 0 0 98 1,-0.2 4,-2.1 2,-0.1 5,-0.2 -0.419 60.9 156.9 -81.8 67.7 -9.3 -7.3 -23.6 130 130 A I H > + 0 0 0 -2,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.867 69.7 54.2 -61.3 -38.5 -10.1 -4.1 -25.4 131 131 A V H >4 S+ 0 0 51 -3,-0.3 3,-1.1 1,-0.2 -1,-0.2 0.960 109.5 45.6 -65.2 -46.8 -8.1 -5.1 -28.5 132 132 A G H 34 S+ 0 0 53 1,-0.2 -1,-0.2 13,-0.0 -2,-0.2 0.881 120.6 40.2 -62.3 -34.8 -10.0 -8.4 -28.9 133 133 A Q H 3< S+ 0 0 103 -4,-2.1 -1,-0.2 2,-0.0 -2,-0.2 0.391 84.3 136.1 -91.5 2.2 -13.3 -6.6 -28.4 134 134 A f << - 0 0 5 -3,-1.1 5,-0.1 -4,-0.6 -3,-0.1 -0.248 60.4-114.6 -58.0 128.7 -12.4 -3.5 -30.4 135 135 A P >> - 0 0 36 0, 0.0 3,-1.8 0, 0.0 4,-0.8 -0.312 31.1-105.7 -64.8 148.6 -15.2 -2.4 -32.7 136 136 A A G >4 S+ 0 0 79 1,-0.3 3,-1.3 2,-0.2 -2,-0.1 0.811 115.1 50.6 -43.5 -52.0 -14.4 -2.6 -36.4 137 137 A K G 34 S+ 0 0 143 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.711 111.9 50.3 -66.9 -20.6 -13.9 1.0 -37.3 138 138 A L G <4 S+ 0 0 0 -3,-1.8 8,-2.8 2,-0.1 -1,-0.3 0.525 78.4 115.0 -92.0 -10.0 -11.5 1.4 -34.4 139 139 A K B << -N 145 0E 127 -3,-1.3 6,-0.2 -4,-0.8 5,-0.1 -0.446 62.8-138.6 -63.6 126.8 -9.2 -1.6 -35.2 140 140 A A > - 0 0 14 4,-2.1 3,-2.2 -2,-0.2 -2,-0.1 -0.711 9.1-131.7 -88.0 132.1 -5.8 -0.2 -36.0 141 141 A P T 3 S+ 0 0 141 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.828 107.1 49.1 -55.3 -30.6 -4.1 -2.0 -39.0 142 142 A G T 3 S- 0 0 33 1,-0.3 2,-0.1 -75,-0.2 -75,-0.1 0.344 128.4 -81.9 -87.9 4.4 -0.9 -2.5 -37.0 143 143 A G S < S+ 0 0 33 -3,-2.2 -1,-0.3 1,-0.3 -89,-0.1 -0.171 87.2 64.8 110.6 154.8 -2.6 -3.8 -34.0 144 144 A G S S- 0 0 11 -35,-0.1 -4,-2.1 -3,-0.1 2,-0.5 -0.264 81.0 -74.7 86.9-176.8 -4.4 -2.3 -31.0 145 145 A f B -MN 108 139E 0 -37,-3.0 -37,-2.5 -6,-0.2 -6,-0.2 -0.954 41.5-143.8-129.1 106.7 -7.6 -0.3 -30.8 146 146 A N - 0 0 22 -8,-2.8 -39,-0.2 -2,-0.5 2,-0.1 -0.359 18.9-115.0 -65.1 150.0 -7.7 3.4 -31.9 147 147 A D > - 0 0 9 1,-0.1 4,-1.7 -42,-0.1 5,-0.1 -0.462 28.3-114.1 -72.3 157.7 -9.7 6.1 -30.2 148 148 A A H > S+ 0 0 9 2,-0.2 4,-3.3 1,-0.2 5,-0.5 0.755 113.0 60.8 -69.4 -25.4 -12.5 7.6 -32.3 149 149 A g H > S+ 0 0 22 8,-0.4 4,-2.5 -44,-0.3 -1,-0.2 0.961 106.4 46.9 -65.4 -46.4 -10.7 11.1 -32.4 150 150 A T H 4 S+ 0 0 45 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.942 119.4 41.7 -58.5 -42.8 -7.7 9.6 -34.2 151 151 A V H < S+ 0 0 53 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.957 129.7 21.7 -72.9 -48.3 -10.1 7.8 -36.5 152 152 A F H < S- 0 0 67 -4,-3.3 -3,-0.2 2,-0.1 -2,-0.2 0.713 81.5-153.2-101.5 -25.2 -12.7 10.5 -37.3 153 153 A Q < + 0 0 135 -4,-2.5 2,-0.3 -5,-0.5 -4,-0.1 0.867 49.5 118.0 57.1 53.3 -10.9 13.7 -36.5 154 154 A T S >> S- 0 0 64 1,-0.0 4,-2.4 -5,-0.0 3,-1.4 -0.949 77.1-108.8-138.6 162.4 -13.9 15.9 -35.6 155 155 A S H 3> S+ 0 0 22 -2,-0.3 4,-2.5 1,-0.3 9,-0.1 0.771 111.8 74.3 -68.1 -25.7 -14.9 17.7 -32.3 156 156 A E H 34 S+ 0 0 121 1,-0.2 9,-0.4 2,-0.2 -1,-0.3 0.885 119.3 16.8 -46.6 -39.6 -17.7 15.2 -31.8 157 157 A Y H <4 S+ 0 0 45 -3,-1.4 -8,-0.4 -9,-0.1 27,-0.3 0.688 131.8 49.1-105.4 -22.3 -14.9 12.7 -30.9 158 158 A g H < S- 0 0 20 -4,-2.4 -3,-0.2 -9,-0.2 -2,-0.2 0.591 87.9-139.7-100.2 -16.1 -12.0 15.2 -30.2 159 159 A h < + 0 0 25 -4,-2.5 -4,-0.1 -5,-0.2 -3,-0.1 0.925 57.3 133.3 54.2 53.1 -13.7 17.7 -27.9 160 160 A T + 0 0 107 1,-0.1 2,-0.3 3,-0.0 -1,-0.1 0.662 68.3 27.3 -98.0 -31.1 -12.0 20.8 -29.5 161 161 A T S S- 0 0 98 -6,-0.1 3,-0.3 0, 0.0 -1,-0.1 -0.857 113.4 -10.6-129.5 163.6 -15.2 22.9 -29.8 162 162 A G S S- 0 0 82 -2,-0.3 2,-0.5 1,-0.2 0, 0.0 -0.026 107.2 -43.6 49.4-143.7 -18.5 23.3 -27.9 163 163 A K - 0 0 182 -3,-0.0 -1,-0.2 22,-0.0 -7,-0.0 -0.819 58.0-157.0-130.5 101.7 -19.3 20.5 -25.5 164 164 A h - 0 0 10 -2,-0.5 -8,-0.1 -3,-0.3 -7,-0.1 -0.242 11.9-166.1 -65.7 153.9 -18.5 17.0 -26.6 165 165 A G - 0 0 29 -9,-0.4 20,-0.1 1,-0.1 21,-0.1 -0.745 35.3 -62.6-127.2 179.5 -20.4 14.1 -24.9 166 166 A P - 0 0 58 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.337 48.2-162.6 -62.8 154.8 -19.9 10.4 -24.8 167 167 A T > - 0 0 17 -10,-0.1 4,-2.9 -3,-0.0 5,-0.2 -0.748 38.8 -99.1-123.6 171.7 -20.2 8.4 -28.1 168 168 A E H > S+ 0 0 147 -2,-0.2 4,-1.3 1,-0.2 -1,-0.0 0.868 126.6 52.5 -62.0 -33.6 -20.7 4.7 -28.6 169 169 A Y H > S+ 0 0 54 2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.929 110.5 44.1 -68.6 -47.9 -17.0 4.5 -29.2 170 170 A S H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.921 110.9 55.7 -61.5 -37.2 -16.1 6.3 -25.9 171 171 A R H X S+ 0 0 131 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.801 101.0 59.6 -65.2 -29.6 -18.6 4.2 -24.0 172 172 A F H X S+ 0 0 15 -4,-1.3 4,-2.1 -3,-0.3 -1,-0.2 0.961 109.5 41.5 -58.3 -53.5 -16.9 1.0 -25.3 173 173 A F H X S+ 0 0 3 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.909 116.7 49.7 -61.6 -41.4 -13.6 2.0 -23.6 174 174 A K H < S+ 0 0 49 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.856 109.2 49.8 -68.2 -39.3 -15.5 3.2 -20.5 175 175 A R H < S+ 0 0 170 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.918 116.7 42.0 -64.5 -45.8 -17.5 0.1 -20.1 176 176 A L H < S+ 0 0 24 -4,-2.1 -48,-0.3 1,-0.3 -49,-0.2 0.843 132.9 22.0 -69.5 -35.5 -14.4 -2.1 -20.5 177 177 A e >< + 0 0 2 -4,-2.4 3,-1.7 -5,-0.2 -1,-0.3 -0.692 63.6 174.0-136.5 83.4 -12.3 0.1 -18.3 178 178 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.744 79.4 59.6 -57.9 -28.6 -14.4 2.4 -15.9 179 179 A D T 3 S+ 0 0 62 -54,-0.4 -77,-0.5 2,-0.1 2,-0.3 0.204 95.1 74.5 -93.5 14.1 -11.2 3.7 -14.2 180 180 A A S < S- 0 0 0 -3,-1.7 -77,-0.3 -7,-0.1 2,-0.2 -0.948 91.0 -99.5-122.5 147.1 -9.6 5.1 -17.3 181 181 A F B -j 103 0B 25 -79,-2.2 -77,-3.0 -2,-0.3 -76,-0.2 -0.427 33.2-176.2 -62.1 133.0 -10.5 8.3 -19.3 182 182 A S + 0 0 9 1,-0.4 2,-0.3 -2,-0.2 -1,-0.2 0.613 67.8 3.9-108.4 -19.5 -12.5 7.4 -22.3 183 183 A Y S > S- 0 0 36 1,-0.1 3,-1.9 -36,-0.1 -1,-0.4 -0.964 85.6 -93.8-158.4 166.6 -12.8 10.9 -23.9 184 184 A V T 3 S+ 0 0 68 -27,-0.3 -1,-0.1 -2,-0.3 -26,-0.1 0.859 122.6 40.9 -59.6 -38.1 -11.5 14.3 -23.1 185 185 A L T 3 S+ 0 0 89 -20,-0.1 -1,-0.3 -3,-0.1 -26,-0.0 0.148 83.4 136.1 -99.0 22.1 -14.5 15.4 -21.1 186 186 A D S < S- 0 0 20 -3,-1.9 3,-0.1 1,-0.1 -5,-0.1 -0.273 74.7 -87.4 -61.8 152.5 -15.1 12.2 -19.2 187 187 A K - 0 0 174 1,-0.1 -1,-0.1 2,-0.1 -2,-0.0 -0.436 66.0 -96.7 -53.2 121.0 -15.9 12.4 -15.6 188 188 A P - 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -8,-0.0 -0.203 37.2-175.3 -62.4 145.1 -12.3 12.4 -14.2 189 189 A T + 0 0 23 -87,-0.1 -87,-0.2 -3,-0.1 2,-0.1 0.083 38.9 137.9-116.3 17.9 -10.7 9.2 -12.9 190 190 A T - 0 0 55 -89,-0.1 2,-0.4 -91,-0.1 -89,-0.2 -0.407 44.5-142.7 -66.6 141.7 -7.6 10.9 -11.7 191 191 A V E -I 100 0B 14 -91,-3.0 -91,-2.4 -2,-0.1 2,-0.6 -0.898 4.7-141.2-106.9 133.5 -6.2 9.9 -8.4 192 192 A T E -I 99 0B 72 -2,-0.4 -93,-0.2 -93,-0.2 -70,-0.2 -0.858 26.9-179.4 -93.8 118.8 -4.6 12.4 -6.0 193 193 A d E -I 98 0B 1 -95,-3.0 -95,-2.7 -2,-0.6 -72,-0.1 -0.802 38.3 -82.4-111.9 159.0 -1.5 10.9 -4.3 194 194 A P E > -I 97 0B 54 0, 0.0 3,-1.1 0, 0.0 -97,-0.2 -0.259 60.2 -93.3 -53.3 142.6 0.8 12.4 -1.7 195 195 A G T 3 S+ 0 0 27 -99,-1.4 -98,-0.1 1,-0.2 -97,-0.1 -0.308 110.6 24.0 -56.6 144.1 3.5 14.5 -3.3 196 196 A S T 3 S+ 0 0 79 1,-0.2 -1,-0.2 -3,-0.1 -104,-0.0 0.783 85.2 158.1 68.1 30.5 6.7 12.6 -4.0 197 197 A S < - 0 0 3 -3,-1.1 2,-0.3 -4,-0.1 -1,-0.2 -0.314 36.2-129.5 -70.1 163.0 5.1 9.2 -4.2 198 198 A N - 0 0 48 -197,-0.2 -81,-2.5 -79,-0.1 -80,-0.9 -0.817 28.1-163.4-109.7 160.3 6.7 6.3 -6.0 199 199 A Y E -bD 3 116A 2 -197,-2.6 -195,-2.4 -83,-0.3 2,-0.4 -0.913 20.2-144.9-143.3 164.6 4.9 4.2 -8.6 200 200 A R E -bD 4 115A 90 -85,-2.7 -85,-2.4 -2,-0.3 2,-0.6 -0.996 7.8-162.7-132.2 130.0 4.8 1.0 -10.7 201 201 A V E -bD 5 114A 0 -197,-2.5 -195,-2.7 -2,-0.4 2,-0.5 -0.972 15.9-168.8-108.0 118.6 3.5 0.7 -14.2 202 202 A T E -bD 6 113A 10 -89,-2.8 -89,-2.4 -2,-0.6 2,-0.4 -0.955 12.4-149.9-114.0 122.0 2.7 -2.9 -15.0 203 203 A F E S+bD 7 112A 0 -197,-3.0 -195,-2.5 -2,-0.5 -91,-0.2 -0.752 87.8 5.7 -85.4 134.3 2.0 -4.1 -18.6 204 204 A a S S- 0 0 29 -93,-2.4 -1,-0.3 -2,-0.4 -92,-0.1 0.962 95.3-151.6 55.6 57.6 -0.3 -7.1 -18.5 205 205 A P - 0 0 16 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.182 22.3 -93.3 -61.1 151.7 -0.8 -7.0 -14.7 206 206 A T 0 0 97 1,-0.1 -2,-0.0 0, 0.0 -4,-0.0 -0.449 360.0 360.0 -65.3 128.5 -1.6 -10.1 -12.8 207 207 A A 0 0 151 -2,-0.2 -1,-0.1 -3,-0.1 -80,-0.0 0.832 360.0 360.0 -67.3 360.0 -5.3 -10.6 -12.4