==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 09-APR-12 4EKA . COMPND 2 MOLECULE: THAUMATIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: THAUMATOCOCCUS DANIELLII; . AUTHOR M.WARKENTIN,R.BADEAU,J.B.HOPKINS,R.E.THORNE . 207 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9573.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 58.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.3 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 . 14 6.8 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 . 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 . 0 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 . 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,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 139.0 17.1 8.4 27.3 2 2 A T E -A 40 0A 45 38,-0.2 197,-2.4 194,-0.1 2,-0.4 -0.863 360.0-171.9-106.4 135.2 15.8 10.2 24.3 3 3 A F E -Ab 39 199A 0 36,-2.4 36,-3.0 -2,-0.4 2,-0.6 -0.996 9.8-157.2-118.6 130.5 14.1 13.6 24.6 4 4 A E E -Ab 38 200A 48 195,-2.5 197,-2.4 -2,-0.4 2,-0.6 -0.941 9.4-159.6-104.8 126.9 12.4 15.2 21.6 5 5 A I E -Ab 37 201A 0 32,-3.1 32,-2.3 -2,-0.6 2,-0.4 -0.939 13.4-171.7-107.4 118.3 12.2 19.0 22.2 6 6 A V E -Ab 36 202A 15 195,-3.0 197,-2.8 -2,-0.6 2,-0.9 -0.931 18.9-148.6-119.1 130.8 9.5 20.5 19.9 7 7 A N E + b 0 203A 0 28,-2.8 27,-3.3 -2,-0.4 28,-0.1 -0.841 25.4 163.5 -98.9 104.8 8.7 24.1 19.4 8 8 A R + 0 0 111 195,-2.3 196,-0.2 -2,-0.9 -1,-0.2 0.407 43.4 113.8 -95.4 0.4 5.0 24.5 18.7 9 9 A a S S- 0 0 0 194,-0.2 25,-0.2 2,-0.1 4,-0.1 -0.334 75.6-127.5 -64.1 155.5 5.2 28.3 19.4 10 10 A S S S+ 0 0 109 197,-0.3 2,-0.3 23,-0.1 23,-0.2 0.595 94.3 64.0 -77.3 -11.0 4.6 30.7 16.5 11 11 A Y S S- 0 0 95 21,-0.1 -2,-0.1 1,-0.0 2,-0.1 -0.767 95.4 -99.6-110.9 156.0 7.9 32.3 17.4 12 12 A T - 0 0 42 -2,-0.3 43,-0.5 21,-0.1 2,-0.3 -0.470 37.9-169.6 -69.2 146.1 11.5 30.9 17.3 13 13 A V E -E 31 0B 0 18,-2.4 18,-3.3 -2,-0.1 2,-0.7 -0.910 22.9-132.2-129.1 161.8 13.0 29.7 20.6 14 14 A W E -EF 30 53B 31 39,-2.6 39,-1.0 -2,-0.3 16,-0.3 -0.943 30.3-144.8-112.5 101.4 16.5 28.6 21.4 15 15 A A E -EF 29 52B 0 14,-2.0 14,-1.7 -2,-0.7 2,-0.3 -0.328 15.8-164.9 -68.4 153.5 16.2 25.4 23.2 16 16 A A E -EF 28 51B 0 35,-2.2 35,-2.0 12,-0.2 2,-0.3 -0.989 12.0-175.2-139.8 145.4 18.6 24.6 26.1 17 17 A A E + F 0 50B 0 10,-2.2 7,-2.2 -2,-0.3 2,-0.3 -0.956 21.6 145.6-145.2 119.6 19.5 21.4 27.9 18 18 A S E -EF 23 49B 0 31,-2.3 31,-2.5 -2,-0.3 5,-0.2 -0.981 46.5-146.7-148.9 162.8 21.9 21.3 30.9 19 19 A K - 0 0 81 3,-2.9 4,-0.1 59,-0.3 60,-0.1 0.196 62.1-103.3-115.1 14.6 22.6 19.6 34.2 20 20 A G S S+ 0 0 13 2,-0.5 60,-0.3 58,-0.2 3,-0.1 -0.121 117.6 44.5 96.3 -35.0 24.0 22.8 35.7 21 21 A D S S+ 0 0 100 1,-0.3 2,-0.3 58,-0.1 58,-0.2 0.304 123.0 21.5-117.5 4.3 27.7 21.9 35.4 22 22 A A S S- 0 0 30 56,-0.4 -3,-2.9 5,-0.0 -2,-0.5 -0.976 80.1-100.5-165.9 155.0 27.5 20.4 31.9 23 23 A A E -E 18 0B 28 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.454 29.7-131.4 -75.2 151.7 25.5 20.5 28.7 24 24 A L E > S- 0 0 9 -7,-2.2 3,-2.2 53,-0.2 -7,-0.1 -0.938 76.6 -36.0-103.0 123.4 23.1 17.7 27.9 25 25 A D E 3 S- 0 0 76 -2,-0.5 -2,-0.1 1,-0.3 14,-0.1 -0.302 135.3 -14.5 59.1-135.4 23.8 16.6 24.4 26 26 A A E 3 S- 0 0 23 1,-0.1 -1,-0.3 -3,-0.1 2,-0.1 0.573 88.7-133.7 -74.4 -8.8 24.7 19.7 22.3 27 27 A G E < + 0 0 0 -3,-2.2 -10,-2.2 49,-0.2 50,-0.7 0.047 70.0 8.6 85.3 -31.7 23.3 22.0 25.1 28 28 A G E +E 16 0B 3 -12,-0.3 2,-0.3 48,-0.2 -12,-0.2 -0.937 55.8 175.2-176.1 156.5 21.3 24.3 22.9 29 29 A R E -E 15 0B 80 -14,-1.7 -14,-2.0 -2,-0.3 2,-0.3 -0.953 38.7 -98.0-164.2 151.9 20.0 25.0 19.4 30 30 A Q E -E 14 0B 86 -2,-0.3 2,-0.5 -16,-0.3 -16,-0.2 -0.542 36.2-167.4 -71.4 135.4 17.8 27.3 17.5 31 31 A L E -E 13 0B 0 -18,-3.3 -18,-2.4 -2,-0.3 3,-0.1 -0.906 5.1-156.7-129.0 103.1 14.3 25.9 17.0 32 32 A N > - 0 0 54 -2,-0.5 3,-2.6 -20,-0.2 -25,-0.3 -0.259 49.0 -62.5 -69.1 167.9 12.1 27.6 14.5 33 33 A S T 3 S+ 0 0 67 1,-0.3 -25,-0.2 -23,-0.2 -1,-0.2 -0.332 128.3 11.9 -57.5 121.5 8.3 27.3 14.8 34 34 A G T 3 S+ 0 0 52 -27,-3.3 -1,-0.3 1,-0.3 -26,-0.1 0.161 95.4 134.8 96.8 -13.1 7.5 23.6 14.3 35 35 A E < - 0 0 71 -3,-2.6 -28,-2.8 -28,-0.1 2,-0.4 -0.351 39.4-154.6 -73.7 148.5 11.1 22.3 14.6 36 36 A S E -A 6 0A 51 -30,-0.2 2,-0.4 -2,-0.1 -30,-0.2 -0.952 4.2-163.8-123.4 140.0 12.0 19.2 16.6 37 37 A W E -A 5 0A 17 -32,-2.3 -32,-3.1 -2,-0.4 2,-0.5 -0.994 8.6-153.5-126.1 120.6 15.4 18.5 18.2 38 38 A T E +A 4 0A 86 -2,-0.4 2,-0.3 -34,-0.2 -34,-0.2 -0.862 18.8 179.0 -99.9 126.4 16.2 15.0 19.4 39 39 A I E -A 3 0A 0 -36,-3.0 -36,-2.4 -2,-0.5 2,-0.4 -0.881 23.9-135.1-121.5 161.0 18.7 14.7 22.2 40 40 A N E -A 2 0A 99 -2,-0.3 2,-0.5 -38,-0.2 -15,-0.3 -0.952 16.7-163.3-114.5 128.2 20.2 11.8 24.2 41 41 A V - 0 0 4 -40,-2.9 3,-0.1 -2,-0.4 -17,-0.1 -0.973 28.4-112.0-113.4 128.9 20.5 12.2 27.9 42 42 A E > - 0 0 153 -2,-0.5 3,-1.6 1,-0.1 50,-0.2 -0.321 37.6-105.8 -57.7 134.0 22.8 9.8 29.8 43 43 A P T 3 S+ 0 0 71 0, 0.0 3,-0.1 0, 0.0 50,-0.1 -0.267 107.3 34.5 -57.3 147.0 20.9 7.3 32.1 44 44 A G T 3 S+ 0 0 38 1,-0.3 2,-0.2 -3,-0.1 49,-0.1 0.385 79.4 156.9 85.2 -2.4 21.3 8.2 35.8 45 45 A T < - 0 0 11 -3,-1.6 47,-3.1 46,-0.1 2,-0.4 -0.388 25.6-159.7 -58.7 123.6 21.3 12.0 35.0 46 46 A K + 0 0 140 45,-0.3 45,-0.2 1,-0.2 -1,-0.0 -0.907 66.2 7.4-110.2 132.8 20.3 13.8 38.2 47 47 A G S S+ 0 0 25 -2,-0.4 44,-0.2 1,-0.2 -1,-0.2 0.844 79.9 164.4 70.1 38.7 18.9 17.4 38.1 48 48 A G E - G 0 90B 0 42,-2.5 42,-2.5 -3,-0.3 2,-0.3 -0.550 14.6-167.4 -83.6 152.2 18.7 17.8 34.3 49 49 A K E -FG 18 89B 36 -31,-2.5 -31,-2.3 40,-0.2 2,-0.4 -0.999 14.0-164.6-141.6 145.3 16.6 20.7 32.9 50 50 A I E +FG 17 88B 0 38,-2.3 38,-2.7 -2,-0.3 2,-0.3 -0.976 22.9 159.5-124.7 138.6 15.3 21.7 29.5 51 51 A W E -F 16 0B 0 -35,-2.0 -35,-2.2 -2,-0.4 2,-0.4 -0.959 35.4-114.8-152.1 165.9 14.0 25.2 28.8 52 52 A A E -F 15 0B 1 34,-0.4 2,-0.4 -2,-0.3 -37,-0.2 -0.839 19.8-154.4-102.5 147.1 13.3 27.6 26.0 53 53 A R E -F 14 0B 0 -39,-1.0 -39,-2.6 -2,-0.4 2,-0.3 -0.964 15.6-149.5-118.9 135.4 15.2 30.9 25.5 54 54 A T E +K 68 0C 17 14,-0.7 13,-1.6 -2,-0.4 14,-1.1 -0.855 63.0 8.7-111.3 152.3 13.4 33.8 23.7 55 55 A D E S+ 0 0 91 -43,-0.5 12,-1.0 -2,-0.3 2,-0.3 0.954 82.8 170.4 50.4 64.4 14.6 36.6 21.5 56 56 A b E -K 66 0C 4 10,-0.2 2,-0.4 -3,-0.2 10,-0.2 -0.720 27.1-161.8-105.4 158.3 18.2 35.5 21.1 57 57 A Y E +K 65 0C 164 8,-2.5 8,-1.9 -2,-0.3 2,-0.4 -0.976 13.9 176.3-141.1 120.4 21.1 36.6 19.0 58 58 A F E -K 64 0C 45 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.980 17.7-142.8-128.4 140.8 24.1 34.4 18.4 59 59 A D > - 0 0 86 4,-2.6 3,-2.1 -2,-0.4 16,-0.1 -0.255 44.7 -83.3 -87.9-178.5 27.1 35.0 16.2 60 60 A D T 3 S+ 0 0 171 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.682 128.4 57.9 -60.8 -19.9 29.0 32.4 14.1 61 61 A S T 3 S- 0 0 81 2,-0.2 -1,-0.3 14,-0.0 3,-0.1 0.428 118.6-108.6 -89.9 -0.9 31.0 31.4 17.3 62 62 A G S < S+ 0 0 17 -3,-2.1 13,-2.8 1,-0.3 14,-0.4 0.764 78.7 129.5 77.9 25.6 27.9 30.5 19.3 63 63 A S B +L 74 0D 52 11,-0.2 -4,-2.6 12,-0.1 -1,-0.3 -0.910 27.6 93.4-111.7 138.5 28.2 33.6 21.5 64 64 A G E -K 58 0C 28 9,-2.8 2,-0.3 -2,-0.4 -6,-0.2 -0.856 60.0 -84.4 176.1-144.6 25.4 36.0 22.1 65 65 A I E -K 57 0C 100 -8,-1.9 -8,-2.5 -2,-0.3 2,-0.3 -0.982 17.8-151.2-156.8 155.6 22.5 36.8 24.4 66 66 A b E -K 56 0C 8 -2,-0.3 4,-0.4 -10,-0.2 -10,-0.2 -0.982 21.1-135.5-130.2 143.4 18.8 35.8 25.0 67 67 A K E S+ 0 0 119 -13,-1.6 2,-0.3 -12,-1.0 -12,-0.2 0.797 96.3 22.4 -67.7 -33.2 16.1 38.0 26.5 68 68 A T E S+K 54 0C 2 -14,-1.1 -14,-0.7 74,-0.1 -1,-0.2 -0.995 127.3 12.1-133.0 145.4 15.0 35.1 28.7 69 69 A G S S+ 0 0 0 13,-2.0 -2,-0.1 -2,-0.3 -1,-0.1 0.599 72.2 175.3 71.0 18.6 16.9 32.0 29.9 70 70 A D - 0 0 21 -4,-0.4 12,-2.3 11,-0.2 2,-0.5 -0.298 20.0-156.0 -60.4 137.8 20.4 33.1 28.9 71 71 A c S > S- 0 0 6 3,-0.4 3,-0.6 10,-0.2 7,-0.3 -0.649 70.8 -53.0-115.3 67.1 23.1 30.6 30.0 72 72 A G T 3 S- 0 0 71 -2,-0.5 3,-0.1 1,-0.2 -8,-0.1 0.814 99.3 -64.0 69.6 31.1 26.2 32.8 30.1 73 73 A G T 3 S+ 0 0 13 1,-0.2 -9,-2.8 -10,-0.1 2,-0.4 0.721 101.5 130.9 70.5 20.7 25.8 34.2 26.6 74 74 A L B < -L 63 0D 56 -3,-0.6 -3,-0.4 -11,-0.2 -11,-0.2 -0.887 55.2-151.6-109.3 143.6 26.3 30.8 24.9 75 75 A L S S+ 0 0 44 -13,-2.8 2,-1.0 -2,-0.4 -1,-0.1 0.915 98.1 54.6 -68.3 -45.7 24.2 29.0 22.2 76 76 A R S S- 0 0 117 -14,-0.4 -1,-0.2 -60,-0.1 -48,-0.2 -0.779 94.5-140.5 -95.3 92.5 25.3 25.7 23.6 77 77 A c + 0 0 0 -2,-1.0 -53,-0.2 -50,-0.7 -60,-0.2 -0.327 34.7 166.0 -60.4 133.7 24.4 25.8 27.3 78 78 A K S S+ 0 0 83 -7,-0.3 -56,-0.4 -55,-0.1 -59,-0.3 0.552 71.8 37.2-111.5 -27.1 26.7 24.3 29.9 79 79 A R S S- 0 0 155 -8,-0.3 -58,-0.1 -58,-0.2 -62,-0.1 -0.697 98.3 -76.9-121.4 171.3 24.9 26.0 32.9 80 80 A F - 0 0 83 -60,-0.3 2,-0.1 -2,-0.2 -1,-0.1 -0.260 53.1-101.9 -70.0 156.2 21.4 26.9 33.9 81 81 A G - 0 0 14 -10,-0.1 -10,-0.2 1,-0.1 -11,-0.2 -0.434 29.1-102.9 -83.9 154.8 19.5 29.8 32.4 82 82 A R - 0 0 171 -12,-2.3 -13,-2.0 -2,-0.1 -12,-0.2 -0.535 61.9 -74.9 -71.8 129.1 18.8 33.2 33.7 83 83 A P S S+ 0 0 23 0, 0.0 24,-0.1 0, 0.0 63,-0.1 -0.227 102.5 69.8 -57.6 153.6 15.1 33.6 34.9 84 84 A P S S+ 0 0 5 0, 0.0 2,-0.3 0, 0.0 23,-0.3 0.336 73.0 139.2 -84.4 133.4 12.4 33.9 33.8 85 85 A T - 0 0 2 21,-2.0 21,-0.4 60,-0.1 2,-0.3 -0.917 48.5-140.6-144.0 121.2 12.4 30.3 32.6 86 86 A T - 0 0 1 -2,-0.3 2,-0.5 -34,-0.2 -34,-0.4 -0.584 36.6-145.9 -71.0 133.1 9.7 27.7 32.6 87 87 A L E - H 0 103B 7 16,-2.3 16,-2.4 -2,-0.3 2,-0.6 -0.917 24.8-159.4-118.3 134.4 11.6 24.5 33.4 88 88 A A E -GH 50 102B 0 -38,-2.7 -38,-2.3 -2,-0.5 2,-0.4 -0.901 31.7-168.6 -97.1 115.2 11.2 20.8 32.4 89 89 A E E +GH 49 101B 31 12,-2.9 12,-2.1 -2,-0.6 2,-0.3 -0.912 11.3 168.6-115.4 141.3 13.1 19.1 35.2 90 90 A F E -GH 48 100B 3 -42,-2.5 -42,-2.5 -2,-0.4 2,-0.4 -1.000 26.3-167.4-153.4 148.4 14.2 15.4 35.4 91 91 A S E - H 0 99B 13 8,-2.1 8,-2.7 -2,-0.3 3,-0.3 -0.983 27.7-151.1-133.9 122.5 16.3 12.9 37.2 92 92 A L E + 0 0 0 -47,-3.1 6,-0.2 -2,-0.4 103,-0.1 -0.734 65.2 4.9-101.9 144.6 16.6 9.6 35.4 93 93 A N E S+ 0 0 49 -2,-0.3 2,-0.8 1,-0.2 -1,-0.2 0.931 73.2 164.7 52.8 54.9 17.2 6.1 36.8 94 94 A Q E > S- H 0 97B 39 3,-3.3 3,-1.4 -3,-0.3 -1,-0.2 -0.908 79.8 -26.3-103.3 102.1 16.9 7.1 40.5 95 95 A Y T 3 S- 0 0 229 -2,-0.8 -1,-0.2 1,-0.3 3,-0.1 0.889 130.3 -45.6 54.2 41.7 16.4 3.9 42.4 96 96 A G T 3 S+ 0 0 56 1,-0.2 99,-1.2 98,-0.1 2,-0.3 0.377 124.3 81.7 86.6 0.3 14.8 2.3 39.3 97 97 A K E < -HI 94 194B 95 -3,-1.4 -3,-3.3 97,-0.2 2,-0.3 -0.927 68.5-128.3-133.3 162.0 12.5 5.1 38.3 98 98 A D E - I 0 193B 0 95,-2.9 95,-3.1 -2,-0.3 2,-0.4 -0.808 21.0-153.4-103.1 150.0 12.6 8.4 36.4 99 99 A Y E +HI 91 192B 82 -8,-2.7 -8,-2.1 -2,-0.3 2,-0.3 -0.992 16.1 176.9-127.5 127.1 11.2 11.5 38.0 100 100 A I E +HI 90 191B 0 91,-2.3 91,-2.8 -2,-0.4 2,-0.3 -0.930 6.2 154.1-130.3 153.0 9.9 14.4 35.9 101 101 A D E -H 89 0B 18 -12,-2.1 -12,-2.9 -2,-0.3 2,-0.4 -0.979 35.7-123.0-161.4 166.7 8.2 17.7 36.7 102 102 A I E -Hj 88 180B 0 77,-0.5 79,-2.2 -2,-0.3 2,-0.4 -0.963 31.6-160.5-112.4 142.9 7.6 21.2 35.4 103 103 A S E -Hj 87 181B 0 -16,-2.4 -16,-2.3 -2,-0.4 3,-0.2 -0.981 30.4-177.6-129.3 140.4 8.7 24.1 37.6 104 104 A N > + 0 0 0 77,-3.1 3,-2.0 -2,-0.4 78,-0.1 0.078 61.1 109.5-108.9 15.7 7.9 27.8 37.9 105 105 A I T 3 S+ 0 0 39 1,-0.3 44,-0.3 76,-0.1 -1,-0.1 0.809 86.1 40.6 -63.5 -28.0 10.4 28.3 40.7 106 106 A K T 3 S- 0 0 87 1,-0.4 -21,-2.0 -21,-0.4 -1,-0.3 0.041 125.4-105.4-107.1 28.9 12.6 30.2 38.3 107 107 A G < - 0 0 0 -3,-2.0 -1,-0.4 -23,-0.3 2,-0.4 -0.385 39.6 -78.5 83.9-165.2 9.6 32.0 36.8 108 108 A F B +M 145 0E 4 37,-2.6 37,-3.2 -22,-0.1 -4,-0.1 -1.000 43.2 155.2-143.1 136.7 7.9 31.4 33.4 109 109 A N S S+ 0 0 13 1,-0.4 35,-0.2 -2,-0.4 -1,-0.1 0.638 72.9 18.2-124.9 -44.7 8.7 32.4 29.9 110 110 A V S S- 0 0 1 -58,-0.1 -1,-0.4 20,-0.0 -58,-0.1 -0.982 79.9-109.3-133.0 142.2 7.0 29.9 27.5 111 111 A P - 0 0 24 0, 0.0 93,-2.6 0, 0.0 2,-0.3 -0.367 43.6-168.2 -66.7 154.0 4.2 27.4 28.1 112 112 A M E -CD 126 203A 1 14,-2.6 14,-3.0 91,-0.3 2,-0.4 -0.998 27.6-159.9-149.7 147.8 5.3 23.8 28.1 113 113 A D E -CD 125 202A 18 89,-2.3 89,-2.8 -2,-0.3 2,-0.5 -0.977 12.8-170.7-121.0 138.7 4.1 20.2 28.1 114 114 A F E +CD 124 201A 0 10,-3.0 10,-2.7 -2,-0.4 87,-0.2 -0.957 21.6 158.2-133.6 109.6 6.5 17.5 29.3 115 115 A S E - D 0 200A 30 85,-2.5 85,-2.8 -2,-0.5 8,-0.2 -0.984 42.5-108.9-134.5 151.1 5.3 14.0 28.6 116 116 A P E - D 0 199A 25 0, 0.0 83,-0.3 0, 0.0 7,-0.1 -0.428 15.1-161.1 -73.2 150.2 6.7 10.5 28.3 117 117 A T S S+ 0 0 65 81,-2.4 2,-0.2 2,-0.1 82,-0.2 0.422 78.0 61.9-105.7 -7.5 6.7 9.1 24.7 118 118 A T S S- 0 0 63 80,-1.0 3,-0.4 1,-0.1 79,-0.1 -0.614 97.9 -83.9-109.1 170.2 7.0 5.5 26.1 119 119 A R S S+ 0 0 239 -2,-0.2 -1,-0.1 1,-0.2 3,-0.1 -0.331 86.8 58.1 -79.8 161.8 4.4 3.7 28.4 120 120 A G S S+ 0 0 64 1,-0.3 2,-0.2 73,-0.1 -1,-0.2 0.305 93.5 33.1 114.7 -9.2 3.8 3.7 32.1 121 121 A d S S- 0 0 41 -3,-0.4 -1,-0.3 72,-0.1 2,-0.3 -0.490 71.3-106.8-145.4-146.0 3.2 7.2 33.4 122 122 A R - 0 0 126 -2,-0.2 2,-0.2 -3,-0.1 69,-0.0 -0.928 27.1-113.6-148.9 167.2 1.6 10.6 32.4 123 123 A G - 0 0 21 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.3 -0.523 17.8-135.6-103.6 176.0 2.8 14.0 31.4 124 124 A V E -C 114 0A 1 -10,-2.7 -10,-3.0 -2,-0.2 2,-0.4 -0.893 17.6-166.9-127.5 154.2 2.6 17.4 33.0 125 125 A R E -C 113 0A 109 -2,-0.3 54,-0.4 -12,-0.2 2,-0.3 -0.999 22.1-174.8-146.7 142.0 1.8 20.7 31.5 126 126 A e E +C 112 0A 1 -14,-3.0 -14,-2.6 -2,-0.4 51,-0.1 -0.833 32.8 142.8-131.6 96.9 1.9 24.4 32.3 127 127 A A + 0 0 28 -2,-0.3 79,-0.1 -16,-0.3 50,-0.1 0.183 24.9 122.2-124.8 18.8 0.2 26.1 29.4 128 128 A A S S- 0 0 28 48,-0.1 2,-2.2 1,-0.1 3,-0.3 -0.325 77.8 -99.9 -76.0 163.4 -1.7 29.0 31.0 129 129 A D > + 0 0 104 1,-0.2 4,-1.8 2,-0.1 5,-0.1 -0.449 60.0 155.4 -82.6 67.3 -1.0 32.6 29.9 130 130 A I H > + 0 0 0 -2,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.890 68.8 54.4 -63.9 -37.8 1.2 33.3 32.9 131 131 A V H >4 S+ 0 0 50 -3,-0.3 3,-0.8 1,-0.2 -1,-0.2 0.951 110.3 45.8 -64.3 -43.4 3.1 36.1 31.0 132 132 A G H 34 S+ 0 0 43 1,-0.2 -1,-0.2 13,-0.0 -2,-0.2 0.839 119.8 40.6 -64.7 -34.1 -0.2 38.0 30.2 133 133 A Q H 3< S+ 0 0 112 -4,-1.8 -1,-0.2 2,-0.0 -2,-0.2 0.437 85.0 138.3 -94.0 -1.0 -1.5 37.5 33.8 134 134 A f << - 0 0 6 -4,-0.9 5,-0.1 -3,-0.8 -3,-0.1 -0.175 61.6-109.6 -49.6 128.6 1.8 38.3 35.5 135 135 A P >> - 0 0 37 0, 0.0 3,-1.8 0, 0.0 4,-1.0 -0.316 32.2-113.3 -55.9 143.2 1.6 40.5 38.6 136 136 A A G >4 S+ 0 0 84 1,-0.3 3,-0.7 2,-0.2 -2,-0.1 0.840 114.2 54.8 -49.8 -40.9 3.1 43.9 37.9 137 137 A K G 34 S+ 0 0 142 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.724 110.0 46.1 -71.6 -18.6 6.1 43.4 40.3 138 138 A L G <4 S+ 0 0 0 -3,-1.8 8,-3.0 2,-0.1 -1,-0.2 0.543 80.3 118.8 -99.5 -9.0 7.2 40.1 38.7 139 139 A K B << -N 145 0E 106 -4,-1.0 6,-0.2 -3,-0.7 3,-0.1 -0.365 58.1-141.0 -61.9 132.0 7.0 41.2 35.0 140 140 A A > - 0 0 15 4,-2.4 3,-1.3 1,-0.1 -1,-0.1 -0.840 4.8-140.1 -96.9 130.2 10.4 41.0 33.4 141 141 A P T 3 S+ 0 0 138 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.949 104.6 52.2 -53.1 -49.8 11.3 43.8 31.0 142 142 A G T 3 S- 0 0 23 1,-0.2 2,-0.2 -75,-0.2 -75,-0.1 0.639 131.0 -85.6 -59.3 -15.4 13.0 41.4 28.5 143 143 A G S < S+ 0 0 27 -3,-1.3 -1,-0.2 1,-0.2 -89,-0.1 -0.428 85.7 65.6 122.3 159.5 9.8 39.4 28.6 144 144 A G S S- 0 0 9 -35,-0.2 -4,-2.4 -2,-0.2 2,-0.5 -0.204 78.7 -76.5 89.6 179.6 8.4 36.7 30.8 145 145 A f B -MN 108 139E 0 -37,-3.2 -37,-2.6 -6,-0.2 -6,-0.2 -0.965 41.7-144.5-126.3 110.4 7.3 36.5 34.5 146 146 A N - 0 0 22 -8,-3.0 -39,-0.2 -2,-0.5 2,-0.2 -0.395 18.4-115.9 -69.9 156.7 10.0 36.3 37.1 147 147 A D > - 0 0 8 1,-0.1 4,-1.6 -41,-0.1 3,-0.1 -0.508 31.0-111.0 -81.3 160.9 9.6 34.3 40.3 148 148 A A H > S+ 0 0 8 1,-0.2 4,-3.2 2,-0.2 5,-0.5 0.795 114.7 61.1 -66.6 -30.0 9.6 36.4 43.5 149 149 A g H > S+ 0 0 18 8,-0.4 4,-2.4 -44,-0.3 -1,-0.2 0.959 105.9 47.5 -61.9 -46.0 13.0 35.0 44.7 150 150 A T H 4 S+ 0 0 45 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.901 118.4 41.9 -58.7 -41.1 14.7 36.5 41.5 151 151 A V H < S+ 0 0 52 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.939 130.8 18.6 -72.9 -50.3 12.9 39.8 42.1 152 152 A F H < S- 0 0 79 -4,-3.2 -3,-0.2 -5,-0.1 -2,-0.2 0.647 78.4-146.6-105.2 -21.5 13.2 40.3 45.8 153 153 A Q < + 0 0 144 -4,-2.4 2,-0.3 -5,-0.5 -4,-0.1 0.900 43.8 148.6 55.3 50.2 16.0 38.0 47.1 154 154 A T > - 0 0 56 -6,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.829 60.0-118.4-108.8 160.7 14.4 37.3 50.5 155 155 A S H >>S+ 0 0 74 -2,-0.3 4,-2.1 1,-0.2 5,-0.8 0.867 113.3 57.1 -61.2 -36.0 14.7 34.2 52.6 156 156 A E H 45S+ 0 0 95 1,-0.2 -1,-0.2 2,-0.2 9,-0.2 0.877 115.6 33.7 -66.5 -40.5 10.9 33.7 52.3 157 157 A Y H 45S+ 0 0 68 -3,-0.2 -8,-0.4 -9,-0.1 27,-0.3 0.812 123.4 44.0 -82.6 -33.5 10.9 33.6 48.5 158 158 A g H <5S- 0 0 35 -4,-2.5 -2,-0.2 -9,-0.2 -3,-0.2 0.700 99.9-133.5 -85.9 -18.5 14.3 31.9 48.0 159 159 A h T <5 + 0 0 13 -4,-2.1 -3,-0.2 -5,-0.3 -4,-0.1 0.938 36.4 172.4 56.1 61.8 13.7 29.3 50.8 160 160 A T S - 0 0 19 1,-0.1 4,-2.8 -10,-0.1 5,-0.2 -0.827 38.3 -94.0-133.2 172.6 3.2 33.5 49.2 168 168 A E H > S+ 0 0 160 -2,-0.3 4,-1.1 1,-0.2 -1,-0.1 0.901 128.4 47.0 -56.7 -38.7 0.9 35.8 47.2 169 169 A Y H > S+ 0 0 24 2,-0.2 4,-1.6 1,-0.2 3,-0.5 0.939 110.8 47.3 -71.9 -46.4 3.4 35.3 44.3 170 170 A S H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.910 109.5 56.1 -61.3 -38.2 3.8 31.5 44.5 171 171 A R H X S+ 0 0 144 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.796 101.4 58.0 -64.2 -28.6 -0.1 31.2 44.7 172 172 A F H X S+ 0 0 12 -4,-1.1 4,-1.9 -3,-0.5 5,-0.2 0.962 109.9 42.7 -62.7 -51.3 -0.3 33.2 41.4 173 173 A F H X S+ 0 0 3 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.923 116.0 49.6 -61.4 -40.4 1.8 30.6 39.6 174 174 A K H < S+ 0 0 49 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.826 107.8 52.8 -68.2 -34.5 -0.1 27.7 41.4 175 175 A R H < S+ 0 0 175 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.895 117.6 37.7 -66.0 -40.4 -3.5 29.1 40.5 176 176 A L H < S+ 0 0 35 -4,-1.9 -2,-0.2 1,-0.2 -49,-0.2 0.842 134.2 22.5 -80.3 -36.7 -2.5 29.3 36.7 177 177 A e >< + 0 0 4 -4,-2.8 3,-1.7 -5,-0.2 -1,-0.2 -0.678 61.8 171.4-134.3 83.2 -0.5 26.1 36.7 178 178 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.731 78.7 60.6 -66.1 -20.0 -1.4 23.7 39.5 179 179 A D T 3 S+ 0 0 44 -54,-0.4 -77,-0.5 2,-0.1 2,-0.3 0.398 95.1 73.3 -87.4 1.8 0.7 20.9 37.9 180 180 A A E < S-j 102 0B 0 -3,-1.7 -77,-0.3 -7,-0.2 2,-0.2 -0.884 93.5 -97.8-116.3 150.8 4.0 22.9 38.2 181 181 A F E -j 103 0B 23 -79,-2.2 -77,-3.1 -2,-0.3 -76,-0.1 -0.438 34.3-174.8 -63.8 131.3 6.1 23.7 41.3 182 182 A S + 0 0 10 1,-0.3 2,-0.3 -2,-0.2 -9,-0.2 0.609 67.1 3.3-104.0 -16.7 5.3 27.2 42.5 183 183 A Y S > S- 0 0 45 1,-0.1 3,-1.8 -36,-0.1 -1,-0.3 -0.954 86.6 -89.8-160.2 165.2 7.8 27.5 45.3 184 184 A V T 3 S+ 0 0 61 -27,-0.3 -1,-0.1 -2,-0.3 -79,-0.0 0.854 123.5 37.0 -51.2 -44.4 10.7 25.5 46.7 185 185 A L T 3 S+ 0 0 78 -20,-0.1 -1,-0.3 -3,-0.0 -26,-0.0 0.149 84.2 141.0 -99.5 22.7 8.5 23.6 49.3 186 186 A D S < S- 0 0 18 -3,-1.8 3,-0.1 1,-0.1 -5,-0.1 -0.224 71.9 -88.7 -60.9 150.2 5.5 23.2 47.2 187 187 A K - 0 0 173 1,-0.1 -1,-0.1 2,-0.1 -2,-0.0 -0.519 64.5 -99.1 -57.5 117.9 3.6 19.9 47.5 188 188 A P - 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -8,-0.0 -0.152 35.2-171.4 -51.1 137.5 5.5 17.9 44.8 189 189 A T + 0 0 21 -87,-0.1 -87,-0.2 -3,-0.1 2,-0.1 -0.016 40.6 142.5-112.2 22.6 3.9 17.6 41.3 190 190 A T - 0 0 49 -89,-0.1 2,-0.4 -91,-0.0 -89,-0.2 -0.395 43.0-144.0 -66.1 141.5 6.6 15.2 40.3 191 191 A V E -I 100 0B 8 -91,-2.8 -91,-2.3 -2,-0.1 2,-0.6 -0.900 7.3-139.2-109.4 135.7 5.6 12.2 38.1 192 192 A T E -I 99 0B 72 -2,-0.4 -93,-0.2 -93,-0.2 -70,-0.1 -0.868 27.2-179.3 -98.5 121.9 7.2 8.8 38.6 193 193 A d E -I 98 0B 1 -95,-3.1 -95,-2.9 -2,-0.6 -73,-0.1 -0.858 37.6 -84.4-116.4 158.3 8.0 7.1 35.3 194 194 A P E > -I 97 0B 44 0, 0.0 3,-1.0 0, 0.0 -97,-0.2 -0.238 61.4 -91.6 -56.8 145.6 9.5 3.7 34.5 195 195 A G T 3 S+ 0 0 27 -99,-1.2 -98,-0.1 1,-0.2 -103,-0.1 -0.288 110.1 20.3 -57.8 143.6 13.3 3.9 34.5 196 196 A S T 3 S+ 0 0 74 1,-0.1 -1,-0.2 -3,-0.1 -194,-0.1 0.791 85.8 158.8 67.1 31.6 14.8 4.7 31.1 197 197 A S < - 0 0 3 -3,-1.0 2,-0.3 -196,-0.1 -1,-0.1 -0.327 37.6-124.9 -75.8 166.6 11.6 6.2 29.5 198 198 A N - 0 0 45 -197,-0.2 -81,-2.4 -79,-0.1 -80,-1.0 -0.799 30.6-164.4-109.0 153.7 11.7 8.6 26.5 199 199 A Y E -bD 3 116A 1 -197,-2.4 -195,-2.5 -83,-0.3 2,-0.4 -0.932 19.4-145.3-138.3 164.2 10.1 12.0 26.6 200 200 A R E -bD 4 115A 94 -85,-2.8 -85,-2.5 -2,-0.3 2,-0.6 -1.000 7.0-163.2-130.1 130.8 8.9 15.0 24.7 201 201 A V E -bD 5 114A 0 -197,-2.4 -195,-3.0 -2,-0.4 2,-0.5 -0.969 15.2-169.6-107.3 120.7 9.1 18.6 25.8 202 202 A T E -bD 6 113A 5 -89,-2.8 -89,-2.3 -2,-0.6 2,-0.3 -0.957 12.4-147.4-115.3 123.4 6.8 20.7 23.7 203 203 A F E S+bD 7 112A 0 -197,-2.8 -195,-2.3 -2,-0.5 -91,-0.3 -0.687 85.4 7.5 -83.8 138.5 6.9 24.5 23.9 204 204 A a S > S- 0 0 8 -93,-2.6 3,-1.4 -2,-0.3 -1,-0.2 0.959 76.4-179.7 56.0 56.8 3.4 26.2 23.4 205 205 A P T 3 S+ 0 0 8 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.737 77.9 41.9 -63.3 -23.5 1.5 22.8 23.4 206 206 A T T 3 0 0 99 1,-0.2 -2,-0.1 -79,-0.1 -3,-0.0 0.430 360.0 360.0 -99.8 -3.6 -1.9 24.4 22.9 207 207 A A < 0 0 95 -3,-1.4 -197,-0.3 -4,-0.1 -1,-0.2 -0.639 360.0 360.0-148.3 360.0 -0.7 27.0 20.2