==== 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 4EKB . 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) . 9563.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 58.9 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 . 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 . 15 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.2 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 26 0, 0.0 40,-3.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 140.5 16.8 7.4 27.4 2 2 A T E -A 40 0A 50 38,-0.2 197,-2.6 195,-0.1 2,-0.5 -0.856 360.0-171.4-102.0 138.1 15.4 9.2 24.5 3 3 A F E -Ab 39 199A 0 36,-2.5 36,-2.8 -2,-0.5 2,-0.6 -0.989 9.5-156.7-122.9 121.9 13.8 12.6 24.8 4 4 A E E -Ab 38 200A 51 195,-2.7 197,-2.5 -2,-0.5 2,-0.6 -0.864 10.8-159.7 -94.7 125.4 12.0 14.1 21.8 5 5 A I E -Ab 37 201A 0 32,-3.2 32,-2.8 -2,-0.6 2,-0.4 -0.933 11.9-173.0-109.9 117.1 12.0 17.9 22.2 6 6 A V E -Ab 36 202A 16 195,-3.0 197,-2.9 -2,-0.6 2,-0.8 -0.944 18.5-150.0-118.0 130.9 9.2 19.4 20.1 7 7 A N E + b 0 203A 0 28,-2.7 27,-3.4 -2,-0.4 28,-0.2 -0.851 24.5 164.1-100.4 102.8 8.7 23.2 19.5 8 8 A R + 0 0 114 195,-2.3 196,-0.2 -2,-0.8 -1,-0.1 0.385 43.6 114.6 -92.9 -0.7 4.9 23.7 18.9 9 9 A a S S- 0 0 0 194,-0.2 25,-0.2 2,-0.2 4,-0.1 -0.348 75.4-128.0 -64.8 155.3 5.4 27.5 19.6 10 10 A S S S+ 0 0 105 197,-0.5 2,-0.3 23,-0.1 23,-0.2 0.597 93.4 63.2 -78.0 -11.3 4.8 29.9 16.7 11 11 A Y S S- 0 0 91 21,-0.1 -2,-0.2 1,-0.1 2,-0.1 -0.792 95.9 -97.5-111.7 154.1 8.2 31.3 17.4 12 12 A T - 0 0 42 -2,-0.3 43,-0.5 21,-0.1 2,-0.3 -0.402 39.4-171.2 -66.7 142.4 11.7 29.8 17.3 13 13 A V E -E 31 0B 0 18,-2.3 18,-3.4 41,-0.1 2,-0.6 -0.900 22.4-134.2-126.8 160.5 13.2 28.5 20.5 14 14 A W E -EF 30 53B 30 39,-2.1 39,-1.2 -2,-0.3 16,-0.3 -0.959 28.0-145.6-115.9 101.8 16.6 27.3 21.3 15 15 A A E -EF 29 52B 0 14,-1.9 14,-1.8 -2,-0.6 2,-0.3 -0.381 15.6-165.6 -65.8 151.9 16.2 24.1 23.3 16 16 A A E -EF 28 51B 0 35,-2.2 35,-1.9 12,-0.2 2,-0.4 -0.985 11.5-173.7-141.7 146.9 18.8 23.3 26.0 17 17 A A E + F 0 50B 0 10,-2.4 7,-2.1 -2,-0.3 2,-0.3 -0.963 21.0 145.9-145.5 122.2 19.6 20.2 28.0 18 18 A S E -EF 23 49B 0 31,-2.3 31,-2.5 -2,-0.4 5,-0.2 -0.981 45.7-147.1-152.5 158.7 22.0 20.0 30.9 19 19 A K - 0 0 81 3,-2.6 4,-0.1 -2,-0.3 2,-0.1 0.163 62.6-102.9-111.5 14.7 22.7 18.3 34.2 20 20 A G S S+ 0 0 12 2,-0.5 60,-0.4 29,-0.1 3,-0.1 -0.175 116.7 45.2 98.7 -38.1 24.4 21.5 35.6 21 21 A D S S+ 0 0 100 1,-0.2 2,-0.3 58,-0.1 58,-0.1 0.275 122.8 21.3-115.2 3.7 28.0 20.5 35.2 22 22 A A S S- 0 0 32 56,-0.1 -3,-2.6 5,-0.0 -2,-0.5 -0.973 81.1 -98.6-163.4 158.1 27.7 19.0 31.7 23 23 A A E -E 18 0B 30 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.363 30.0-131.9 -71.9 153.3 25.6 19.1 28.6 24 24 A L E > S- 0 0 8 -7,-2.1 3,-2.2 53,-0.3 -7,-0.2 -0.958 77.4 -34.5-103.8 125.2 23.1 16.3 28.0 25 25 A D E 3 S- 0 0 74 -2,-0.5 -2,-0.1 15,-0.3 14,-0.1 -0.288 135.4 -17.1 57.2-137.1 23.6 15.1 24.4 26 26 A A E 3 S- 0 0 22 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.593 89.5-133.4 -73.0 -10.4 24.7 18.2 22.3 27 27 A G E < S+ 0 0 0 -3,-2.2 -10,-2.4 49,-0.2 50,-0.6 0.080 70.7 15.9 84.8 -29.6 23.3 20.5 25.0 28 28 A G E +E 16 0B 4 -12,-0.3 2,-0.3 48,-0.2 -12,-0.2 -0.949 55.5 172.0-170.3 156.9 21.4 22.8 22.8 29 29 A R E -E 15 0B 86 -14,-1.8 -14,-1.9 -2,-0.3 2,-0.3 -0.948 37.6-101.0-165.9 151.8 19.9 23.4 19.4 30 30 A Q E -E 14 0B 83 -2,-0.3 2,-0.5 -16,-0.3 -16,-0.3 -0.565 31.9-167.6 -76.5 138.0 17.7 25.8 17.5 31 31 A L E -E 13 0B 0 -18,-3.4 -18,-2.3 -2,-0.3 3,-0.1 -0.913 5.5-158.2-127.8 103.7 14.1 24.6 17.0 32 32 A N > - 0 0 60 -2,-0.5 3,-2.5 -20,-0.2 -25,-0.3 -0.287 51.6 -60.0 -68.5 169.4 12.1 26.5 14.6 33 33 A S T 3 S+ 0 0 68 1,-0.3 -25,-0.2 -23,-0.2 -1,-0.2 -0.307 128.7 10.7 -54.6 122.4 8.3 26.3 14.9 34 34 A G T 3 S+ 0 0 52 -27,-3.4 -1,-0.3 1,-0.3 -26,-0.1 0.169 95.1 134.7 94.9 -14.6 7.2 22.7 14.5 35 35 A E < - 0 0 71 -3,-2.5 -28,-2.7 -28,-0.2 2,-0.4 -0.340 39.5-154.4 -70.6 150.1 10.8 21.2 14.6 36 36 A S E -A 6 0A 56 -30,-0.2 2,-0.4 -2,-0.1 -30,-0.2 -0.973 5.8-167.1-125.1 138.0 11.6 18.1 16.7 37 37 A W E -A 5 0A 20 -32,-2.8 -32,-3.2 -2,-0.4 2,-0.5 -0.994 9.1-153.0-127.8 121.5 15.0 17.3 18.2 38 38 A T E -A 4 0A 79 -2,-0.4 2,-0.3 -34,-0.2 -34,-0.2 -0.852 18.1-177.0 -99.7 124.5 15.6 13.8 19.6 39 39 A I E -A 3 0A 0 -36,-2.8 -36,-2.5 -2,-0.5 2,-0.5 -0.881 22.3-134.7-116.7 158.1 18.3 13.5 22.2 40 40 A N E -A 2 0A 93 -2,-0.3 2,-0.5 -38,-0.2 -15,-0.3 -0.951 17.5-165.8-113.3 126.3 19.8 10.7 24.2 41 41 A V - 0 0 3 -40,-3.1 4,-0.1 -2,-0.5 3,-0.1 -0.962 29.3-111.4-112.7 127.5 20.2 11.1 27.9 42 42 A E > - 0 0 155 -2,-0.5 3,-1.5 1,-0.1 50,-0.2 -0.253 37.1-105.9 -56.9 132.1 22.5 8.6 29.7 43 43 A P T 3 S+ 0 0 76 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.231 107.6 35.0 -53.9 149.6 20.6 6.3 32.1 44 44 A G T 3 S+ 0 0 37 1,-0.3 2,-0.2 -3,-0.1 49,-0.1 0.460 78.5 157.6 81.2 -0.7 21.1 7.2 35.7 45 45 A T < - 0 0 10 -3,-1.5 47,-3.2 -4,-0.1 2,-0.4 -0.447 25.3-160.2 -59.0 123.6 21.3 11.0 34.9 46 46 A K + 0 0 132 45,-0.3 45,-0.2 -2,-0.2 -1,-0.0 -0.908 66.2 7.6-111.3 129.3 20.4 12.8 38.2 47 47 A G S S+ 0 0 26 -2,-0.4 -1,-0.2 1,-0.2 44,-0.2 0.861 81.9 166.0 71.5 38.4 19.2 16.4 38.1 48 48 A G E - G 0 90B 0 42,-2.5 42,-2.6 -3,-0.3 2,-0.3 -0.540 13.7-167.8 -83.4 150.0 18.8 16.7 34.4 49 49 A K E -FG 18 89B 37 -31,-2.5 -31,-2.3 40,-0.2 2,-0.4 -1.000 13.9-165.9-140.8 144.8 16.9 19.7 33.0 50 50 A I E +FG 17 88B 0 38,-2.3 38,-2.7 -2,-0.3 2,-0.3 -0.981 22.3 158.7-127.0 138.6 15.5 20.7 29.6 51 51 A W E -F 16 0B 0 -35,-1.9 -35,-2.2 -2,-0.4 2,-0.3 -0.957 35.0-114.3-149.1 168.6 14.3 24.2 28.9 52 52 A A E -F 15 0B 0 34,-0.4 2,-0.4 -2,-0.3 -37,-0.2 -0.814 20.3-153.5-103.9 151.3 13.6 26.6 26.0 53 53 A R E -F 14 0B 0 -39,-1.2 -39,-2.1 -2,-0.3 2,-0.3 -0.956 13.0-149.1-121.0 140.5 15.5 29.8 25.4 54 54 A T E +K 68 0C 19 14,-0.8 13,-1.6 -2,-0.4 14,-1.2 -0.826 63.9 9.2-115.7 152.7 14.0 32.8 23.5 55 55 A D E S+ 0 0 90 -43,-0.5 12,-0.8 -2,-0.3 2,-0.3 0.925 80.5 174.6 49.9 63.0 15.3 35.5 21.3 56 56 A b E -K 66 0C 6 10,-0.2 2,-0.4 -3,-0.2 10,-0.3 -0.720 23.5-165.2-100.2 151.6 18.8 34.1 20.8 57 57 A Y E +K 65 0C 160 8,-2.5 8,-2.2 -2,-0.3 2,-0.4 -0.999 13.4 176.0-133.0 128.1 21.7 35.2 18.6 58 58 A F E -K 64 0C 48 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.993 18.9-140.9-134.6 141.3 24.7 32.9 17.9 59 59 A D > - 0 0 85 4,-2.6 3,-1.9 -2,-0.4 4,-0.0 -0.218 47.0 -80.7 -85.1-175.4 27.7 33.4 15.7 60 60 A D T 3 S+ 0 0 171 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.667 130.9 55.4 -60.3 -19.8 29.3 30.7 13.5 61 61 A S T 3 S- 0 0 86 2,-0.2 -1,-0.3 14,-0.0 3,-0.1 0.383 120.2-106.0 -94.6 2.1 31.2 29.4 16.7 62 62 A G S < S+ 0 0 17 -3,-1.9 13,-2.6 1,-0.3 14,-0.4 0.802 79.1 128.5 77.0 30.9 28.0 28.9 18.7 63 63 A S B +L 74 0D 49 11,-0.2 -4,-2.6 12,-0.1 -1,-0.3 -0.954 26.1 87.7-119.8 139.5 28.5 31.9 21.0 64 64 A G E -K 58 0C 34 9,-2.9 2,-0.3 -2,-0.4 -6,-0.2 -0.819 63.8 -74.1 175.2-136.2 26.0 34.6 21.6 65 65 A I E -K 57 0C 100 -8,-2.2 -8,-2.5 -2,-0.2 2,-0.3 -0.987 19.0-151.6-156.7 152.6 23.1 35.4 23.9 66 66 A b E -K 56 0C 6 -2,-0.3 4,-0.4 -10,-0.3 -10,-0.2 -0.961 20.1-137.4-124.5 144.5 19.5 34.6 24.7 67 67 A K E S+ 0 0 113 -13,-1.6 2,-0.4 -12,-0.8 -12,-0.2 0.797 95.7 25.6 -68.6 -33.2 16.9 36.9 26.3 68 68 A T E S+K 54 0C 3 -14,-1.2 -14,-0.8 1,-0.1 -1,-0.2 -0.998 128.5 7.9-131.6 143.2 15.7 34.1 28.4 69 69 A G S S+ 0 0 0 13,-1.9 -2,-0.1 -2,-0.4 -1,-0.1 0.550 72.8 174.9 70.4 19.4 17.5 31.0 29.6 70 70 A D - 0 0 21 -4,-0.4 12,-2.3 11,-0.2 2,-0.6 -0.191 20.2-154.6 -58.0 136.8 21.0 31.9 28.4 71 71 A c S > S- 0 0 2 3,-0.4 3,-1.6 10,-0.2 7,-0.3 -0.742 70.5 -53.5-116.7 76.9 23.6 29.4 29.5 72 72 A G T 3 S- 0 0 78 -2,-0.6 -2,-0.1 1,-0.3 9,-0.1 0.806 100.9 -65.9 59.0 29.8 26.9 31.4 29.5 73 73 A G T 3 S+ 0 0 9 1,-0.2 -9,-2.9 -10,-0.1 2,-0.3 0.543 98.9 135.7 72.7 15.2 26.2 32.5 26.0 74 74 A L B < -L 63 0D 53 -3,-1.6 -3,-0.4 -11,-0.2 -11,-0.2 -0.732 52.8-152.7 -97.7 141.6 26.6 29.1 24.4 75 75 A L S S+ 0 0 45 -13,-2.6 2,-1.2 -2,-0.3 -1,-0.2 0.928 99.2 53.7 -67.5 -46.4 24.4 27.5 21.8 76 76 A R S S- 0 0 120 -14,-0.4 -1,-0.2 -3,-0.1 -48,-0.2 -0.736 95.4-141.5 -93.0 89.6 25.4 24.1 23.2 77 77 A c + 0 0 0 -2,-1.2 -53,-0.3 -50,-0.6 -60,-0.2 -0.289 33.2 168.4 -57.8 133.5 24.6 24.4 26.9 78 78 A K S S+ 0 0 82 -7,-0.3 2,-0.3 -55,-0.1 -59,-0.3 0.452 71.8 36.6-112.7 -17.9 27.0 22.9 29.4 79 79 A R S S- 0 0 153 -8,-0.2 -58,-0.1 -58,-0.1 -62,-0.1 -0.823 98.8 -76.2-129.0 171.5 25.4 24.6 32.5 80 80 A F - 0 0 85 -60,-0.4 2,-0.2 -2,-0.3 -8,-0.1 -0.232 54.4-103.8 -68.2 158.4 21.9 25.6 33.6 81 81 A G - 0 0 15 -10,-0.1 -11,-0.2 1,-0.1 -10,-0.2 -0.459 29.3 -98.9 -89.6 158.0 20.2 28.7 32.1 82 82 A R - 0 0 173 -12,-2.3 -13,-1.9 -2,-0.2 -12,-0.2 -0.534 63.6 -76.0 -72.0 127.2 19.6 32.1 33.4 83 83 A P S S+ 0 0 24 0, 0.0 24,-0.2 0, 0.0 63,-0.1 -0.208 102.5 69.5 -58.7 151.7 16.0 32.6 34.8 84 84 A P S S+ 0 0 4 0, 0.0 2,-0.3 0, 0.0 23,-0.3 0.317 71.4 139.5 -89.1 133.3 13.3 32.9 33.8 85 85 A T - 0 0 2 21,-2.1 21,-0.4 60,-0.1 2,-0.3 -0.939 48.4-138.8-141.5 118.9 13.1 29.4 32.5 86 86 A T - 0 0 1 -2,-0.3 2,-0.5 -34,-0.2 -34,-0.4 -0.625 37.2-145.3 -68.5 133.6 10.2 26.9 32.7 87 87 A L E - H 0 103B 9 16,-2.4 16,-2.4 -2,-0.3 2,-0.6 -0.929 24.4-159.8-117.3 131.4 12.0 23.6 33.6 88 88 A A E -GH 50 102B 0 -38,-2.7 -38,-2.3 -2,-0.5 2,-0.4 -0.908 31.9-167.5 -95.0 115.0 11.4 20.0 32.6 89 89 A E E +GH 49 101B 28 12,-3.0 12,-2.2 -2,-0.6 2,-0.3 -0.908 11.9 169.7-115.4 141.6 13.3 18.2 35.4 90 90 A F E -GH 48 100B 2 -42,-2.6 -42,-2.5 -2,-0.4 2,-0.4 -0.998 25.9-167.0-153.7 148.5 14.2 14.5 35.6 91 91 A S E - H 0 99B 12 8,-2.1 8,-2.8 -2,-0.3 3,-0.3 -0.994 28.1-153.0-132.7 120.8 16.3 12.0 37.5 92 92 A L E + 0 0 0 -47,-3.2 6,-0.2 -2,-0.4 3,-0.1 -0.757 62.9 3.7-104.6 143.5 16.6 8.7 35.7 93 93 A N E S+ 0 0 45 -2,-0.3 2,-0.8 1,-0.2 -1,-0.2 0.928 71.9 165.2 54.0 53.9 17.1 5.2 37.0 94 94 A Q E > S- H 0 97B 39 3,-3.3 3,-1.3 -3,-0.3 -1,-0.2 -0.919 80.4 -29.4-102.7 99.6 17.0 6.2 40.7 95 95 A Y T 3 S- 0 0 230 -2,-0.8 -1,-0.2 1,-0.3 3,-0.1 0.886 128.9 -44.4 53.2 42.6 16.5 2.9 42.5 96 96 A G T 3 S+ 0 0 54 1,-0.2 99,-1.4 98,-0.1 2,-0.3 0.432 123.9 83.9 88.6 0.8 14.6 1.4 39.5 97 97 A K E < -HI 94 194B 93 -3,-1.3 -3,-3.3 97,-0.2 2,-0.3 -0.896 65.8-132.8-131.9 161.2 12.4 4.4 38.8 98 98 A D E - I 0 193B 0 95,-3.1 95,-3.1 -2,-0.3 2,-0.4 -0.866 17.8-153.0-109.1 151.2 12.5 7.7 36.9 99 99 A Y E +HI 91 192B 83 -8,-2.8 -8,-2.1 -2,-0.3 2,-0.3 -0.990 16.5 177.3-129.1 121.5 11.2 10.9 38.4 100 100 A I E +HI 90 191B 0 91,-2.4 91,-2.9 -2,-0.4 2,-0.3 -0.918 6.5 153.0-124.7 151.7 9.9 13.8 36.3 101 101 A D E -H 89 0B 17 -12,-2.2 -12,-3.0 -2,-0.3 2,-0.4 -0.981 36.0-123.2-158.8 169.1 8.4 17.2 37.1 102 102 A I E -Hj 88 180B 0 77,-0.5 79,-2.2 -2,-0.3 2,-0.4 -0.957 31.9-162.0-114.0 141.1 7.9 20.7 35.7 103 103 A S E -Hj 87 181B 1 -16,-2.4 -16,-2.4 -2,-0.4 79,-0.2 -0.987 30.7-178.6-131.0 136.7 9.2 23.5 37.9 104 104 A N > + 0 0 0 77,-3.2 3,-2.0 -2,-0.4 78,-0.1 0.092 60.7 109.0-105.8 16.2 8.5 27.2 38.0 105 105 A I T 3 S+ 0 0 39 1,-0.3 44,-0.3 76,-0.2 79,-0.1 0.775 87.1 40.3 -64.3 -26.6 11.1 27.7 40.9 106 106 A K T 3 S- 0 0 91 1,-0.5 -21,-2.1 -21,-0.4 -1,-0.3 -0.023 126.3-103.5-109.8 29.0 13.4 29.5 38.3 107 107 A G < - 0 0 0 -3,-2.0 -1,-0.5 -23,-0.3 2,-0.4 -0.254 37.8 -81.4 82.2-169.9 10.5 31.3 36.7 108 108 A F B +M 145 0E 3 37,-2.5 37,-3.0 -22,-0.1 -4,-0.1 -0.997 43.5 152.9-140.2 134.7 8.6 30.8 33.5 109 109 A N S S+ 0 0 11 1,-0.4 35,-0.2 -2,-0.4 -1,-0.1 0.620 72.5 21.3-126.2 -42.9 9.4 31.7 29.9 110 110 A V S S- 0 0 1 -58,-0.1 -1,-0.4 20,-0.0 -58,-0.1 -0.986 79.4-112.4-133.1 140.6 7.7 29.2 27.6 111 111 A P - 0 0 23 0, 0.0 93,-2.6 0, 0.0 2,-0.3 -0.360 42.2-171.5 -69.3 152.8 4.7 26.8 28.3 112 112 A M E -CD 126 203A 1 14,-2.5 14,-3.0 91,-0.3 2,-0.4 -1.000 28.8-157.8-150.6 148.5 5.6 23.1 28.3 113 113 A D E -CD 125 202A 17 89,-2.3 89,-2.7 -2,-0.3 2,-0.5 -0.969 13.7-169.6-117.9 138.4 4.2 19.6 28.5 114 114 A F E +CD 124 201A 0 10,-3.1 10,-2.8 -2,-0.4 87,-0.2 -0.956 22.1 159.1-131.9 107.3 6.6 16.9 29.7 115 115 A S E - D 0 200A 30 85,-2.6 85,-3.0 -2,-0.5 8,-0.1 -0.964 42.3-109.4-131.7 151.3 5.2 13.4 29.1 116 116 A P E - D 0 199A 22 0, 0.0 83,-0.3 0, 0.0 7,-0.1 -0.473 13.5-159.6 -72.1 149.0 6.4 9.8 28.8 117 117 A T S S+ 0 0 66 81,-2.6 2,-0.2 -2,-0.1 82,-0.2 0.332 78.7 64.9-103.5 -2.7 6.2 8.3 25.3 118 118 A T S S- 0 0 55 80,-0.9 3,-0.4 1,-0.1 79,-0.1 -0.682 96.1 -82.7-114.3 169.7 6.4 4.9 27.0 119 119 A R S S+ 0 0 235 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.248 87.7 52.6 -74.1 160.1 3.9 3.1 29.3 120 120 A G S S+ 0 0 63 1,-0.1 2,-0.3 73,-0.1 -1,-0.2 0.416 92.9 39.6 106.4 0.7 3.3 3.4 33.0 121 121 A d S S- 0 0 36 -3,-0.4 2,-0.2 72,-0.1 -1,-0.1 -0.963 71.0-107.7-164.3 171.4 2.9 7.0 34.2 122 122 A R - 0 0 127 -2,-0.3 2,-0.2 70,-0.2 69,-0.0 -0.504 29.8-116.1-102.8 168.9 1.2 10.2 33.2 123 123 A G - 0 0 19 -2,-0.2 2,-0.3 -8,-0.1 -8,-0.3 -0.446 20.0-134.6 -97.1 173.3 2.8 13.5 32.0 124 124 A V E -C 114 0A 1 -10,-2.8 -10,-3.1 -2,-0.2 2,-0.3 -0.921 19.6-167.3-126.5 156.8 2.8 16.9 33.6 125 125 A R E -C 113 0A 111 -2,-0.3 54,-0.4 -12,-0.2 2,-0.3 -1.000 24.9-175.5-148.5 143.6 2.0 20.3 32.0 126 126 A e E +C 112 0A 1 -14,-3.0 -14,-2.5 -2,-0.3 51,-0.1 -0.822 33.0 143.0-135.3 94.0 2.3 24.0 32.6 127 127 A A + 0 0 25 -2,-0.3 79,-0.1 -16,-0.3 50,-0.1 0.308 27.0 119.7-118.2 8.5 0.6 25.6 29.7 128 128 A A S S- 0 0 29 48,-0.2 2,-2.1 1,-0.1 3,-0.3 -0.257 79.3 -99.3 -72.5 161.4 -1.1 28.6 31.2 129 129 A D > + 0 0 102 1,-0.2 4,-2.2 2,-0.1 5,-0.2 -0.457 58.5 157.0 -84.2 70.5 -0.2 32.1 30.0 130 130 A I H > S+ 0 0 0 -2,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.873 70.3 53.3 -67.1 -33.8 2.0 32.9 32.9 131 131 A V H >4 S+ 0 0 54 -3,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.956 111.3 45.7 -66.0 -44.4 4.0 35.6 31.0 132 132 A G H 34 S+ 0 0 44 1,-0.2 -2,-0.2 13,-0.0 -1,-0.2 0.869 121.1 38.5 -64.3 -35.5 0.8 37.5 30.1 133 133 A Q H 3< S+ 0 0 118 -4,-2.2 -1,-0.2 2,-0.0 -2,-0.2 0.473 85.4 138.3 -93.5 -3.7 -0.6 37.2 33.7 134 134 A f << - 0 0 6 -4,-1.0 5,-0.1 -3,-0.7 -3,-0.1 -0.111 62.5-107.1 -47.2 130.0 2.8 37.7 35.4 135 135 A P >> - 0 0 36 0, 0.0 3,-1.8 0, 0.0 4,-1.0 -0.281 32.2-114.8 -53.9 141.2 2.6 40.0 38.5 136 136 A A G >4 S+ 0 0 83 1,-0.3 3,-0.8 2,-0.2 -2,-0.1 0.850 114.1 53.1 -47.1 -44.5 4.2 43.4 37.7 137 137 A K G 34 S+ 0 0 149 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.702 111.0 47.1 -70.9 -17.8 7.1 43.0 40.1 138 138 A L G <4 S+ 0 0 0 -3,-1.8 8,-3.0 2,-0.1 -1,-0.2 0.504 80.9 119.8 -97.8 -11.4 8.1 39.6 38.6 139 139 A K B << -N 145 0E 113 -4,-1.0 6,-0.2 -3,-0.8 3,-0.1 -0.352 60.0-138.5 -59.3 129.6 8.0 40.6 34.9 140 140 A A > - 0 0 14 4,-2.5 3,-2.3 1,-0.2 -1,-0.1 -0.853 1.6-150.1 -91.8 119.7 11.4 40.1 33.3 141 141 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.892 101.6 54.9 -56.6 -35.8 12.2 43.1 31.0 142 142 A G T 3 S- 0 0 29 1,-0.2 2,-0.1 -75,-0.1 -2,-0.0 0.522 132.6 -79.7 -70.7 -6.4 14.2 40.7 28.9 143 143 A G S < S+ 0 0 28 -3,-2.3 -1,-0.2 1,-0.2 2,-0.1 -0.121 87.8 51.3 117.2 147.2 11.1 38.5 28.6 144 144 A G S S- 0 0 10 -35,-0.2 -4,-2.5 -3,-0.1 2,-0.5 -0.344 81.6 -72.3 92.4-176.7 9.3 36.0 30.9 145 145 A f B -MN 108 139E 0 -37,-3.0 -37,-2.5 -6,-0.2 -6,-0.2 -0.970 46.0-142.9-126.6 108.8 8.1 35.9 34.5 146 146 A N - 0 0 22 -8,-3.0 -39,-0.2 -2,-0.5 2,-0.2 -0.398 15.7-116.2 -71.6 152.5 10.8 35.6 37.1 147 147 A D > - 0 0 7 1,-0.1 4,-1.7 -2,-0.1 5,-0.1 -0.506 30.8-112.3 -75.1 160.9 10.4 33.6 40.3 148 148 A A H > S+ 0 0 9 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.776 114.1 60.0 -68.9 -28.4 10.5 35.7 43.5 149 149 A g H > S+ 0 0 23 8,-0.4 4,-2.5 -44,-0.3 -1,-0.2 0.961 106.2 47.4 -65.1 -47.7 13.9 34.3 44.7 150 150 A T H 4 S+ 0 0 46 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.896 119.0 40.7 -56.9 -45.3 15.6 35.7 41.5 151 151 A V H < S+ 0 0 52 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.920 130.8 20.5 -70.3 -47.5 13.9 39.1 41.9 152 152 A F H < S- 0 0 77 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.642 79.1-147.5-106.0 -19.0 14.2 39.6 45.7 153 153 A Q < + 0 0 143 -4,-2.5 2,-0.3 -5,-0.4 -4,-0.1 0.886 42.6 150.3 53.1 50.5 17.0 37.3 47.0 154 154 A T > - 0 0 55 -6,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.810 59.4-120.0-108.5 159.3 15.4 36.7 50.4 155 155 A S H >>S+ 0 0 65 -2,-0.3 4,-1.3 1,-0.2 5,-1.1 0.865 113.6 55.7 -61.9 -34.9 15.7 33.6 52.6 156 156 A E H 45S+ 0 0 91 1,-0.2 -1,-0.2 2,-0.2 -7,-0.1 0.922 113.9 35.9 -67.2 -45.9 11.9 33.2 52.4 157 157 A Y H 45S+ 0 0 68 1,-0.2 -8,-0.4 -9,-0.1 27,-0.4 0.824 123.6 43.1 -74.9 -34.3 11.7 33.1 48.6 158 158 A g H <5S- 0 0 30 -4,-2.6 -2,-0.2 -9,-0.2 -1,-0.2 0.554 99.5-135.6 -86.9 -8.9 15.0 31.2 48.1 159 159 A h T ><5 + 0 0 13 -4,-1.3 3,-0.8 -5,-0.2 -3,-0.2 0.850 43.6 161.8 55.2 41.4 14.2 28.8 50.9 160 160 A T T 3 - 0 0 18 1,-0.1 4,-2.9 -10,-0.1 5,-0.2 -0.823 35.0 -95.8-133.7 172.5 4.1 33.2 49.3 168 168 A E H > S+ 0 0 166 -2,-0.3 4,-1.0 1,-0.2 -1,-0.1 0.927 127.4 46.5 -58.1 -39.7 1.9 35.6 47.3 169 169 A Y H >> S+ 0 0 35 2,-0.2 4,-1.5 1,-0.2 3,-0.6 0.936 111.7 47.6 -70.9 -43.9 4.3 35.1 44.4 170 170 A S H 3> S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.918 108.3 57.6 -64.7 -34.0 4.6 31.3 44.6 171 171 A R H 3X S+ 0 0 142 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.780 100.5 58.0 -66.4 -27.1 0.8 31.1 44.8 172 172 A F H < + 0 0 3 -4,-2.4 3,-1.6 -5,-0.2 -1,-0.3 -0.694 61.7 171.5-134.4 81.3 0.1 25.8 37.0 178 178 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.734 79.3 59.9 -60.5 -24.6 -1.0 23.5 39.9 179 179 A D T 3 S+ 0 0 38 -54,-0.4 -77,-0.5 2,-0.1 2,-0.3 0.281 95.3 73.3 -92.5 12.6 1.1 20.6 38.4 180 180 A A E < S-j 102 0B 0 -3,-1.6 -77,-0.3 -7,-0.2 2,-0.2 -0.927 92.4 -97.8-123.7 148.4 4.5 22.5 38.6 181 181 A F E -j 103 0B 22 -79,-2.2 -77,-3.2 -2,-0.3 -76,-0.2 -0.441 34.0-176.1 -61.2 130.2 6.7 23.3 41.6 182 182 A S + 0 0 9 1,-0.3 2,-0.3 -2,-0.2 -9,-0.2 0.593 68.1 4.3-104.2 -19.5 6.0 26.9 42.6 183 183 A Y S > S- 0 0 39 1,-0.1 3,-1.8 -36,-0.1 -1,-0.3 -0.945 86.4 -92.4-156.2 166.0 8.6 27.2 45.4 184 184 A V T 3 S+ 0 0 70 -27,-0.4 -1,-0.1 -2,-0.3 -26,-0.1 0.864 123.2 39.7 -53.9 -44.1 11.4 24.9 46.8 185 185 A L T 3 S+ 0 0 81 -20,-0.1 -1,-0.3 -3,-0.0 -26,-0.0 0.120 84.0 140.6 -97.4 22.4 9.2 23.3 49.5 186 186 A D S < S- 0 0 18 -3,-1.8 3,-0.1 1,-0.1 -5,-0.1 -0.233 71.5 -89.4 -59.9 152.0 6.1 23.0 47.4 187 187 A K - 0 0 174 1,-0.1 -1,-0.1 2,-0.1 -2,-0.0 -0.494 65.8 -98.4 -58.5 121.3 4.0 19.8 47.9 188 188 A P - 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -8,-0.0 -0.214 37.2-174.1 -57.2 138.0 5.8 17.7 45.2 189 189 A T + 0 0 20 -87,-0.1 -87,-0.2 -3,-0.1 2,-0.1 0.001 40.3 139.6-112.0 21.1 4.2 17.3 41.8 190 190 A T - 0 0 52 -89,-0.1 2,-0.4 -91,-0.1 -89,-0.2 -0.454 43.6-144.5 -69.6 140.0 6.9 14.8 40.8 191 191 A V E -I 100 0B 11 -91,-2.9 -91,-2.4 -2,-0.1 2,-0.6 -0.894 6.2-137.3-109.5 134.4 5.7 11.8 38.8 192 192 A T E -I 99 0B 70 -2,-0.4 -93,-0.2 -93,-0.2 -70,-0.2 -0.842 27.4-179.6 -93.2 121.8 7.2 8.3 39.2 193 193 A d E -I 98 0B 1 -95,-3.1 -95,-3.1 -2,-0.6 -72,-0.1 -0.862 38.8 -84.0-113.8 159.4 7.7 6.6 35.9 194 194 A P E > -I 97 0B 42 0, 0.0 3,-1.1 0, 0.0 -97,-0.2 -0.215 60.8 -91.2 -56.0 146.9 9.2 3.1 35.2 195 195 A G T 3 S+ 0 0 27 -99,-1.4 -97,-0.1 1,-0.2 -98,-0.1 -0.313 112.7 21.2 -58.2 142.0 13.0 3.1 35.2 196 196 A S T 3 S+ 0 0 73 1,-0.2 -1,-0.2 -99,-0.1 -104,-0.0 0.764 85.4 158.4 66.4 33.0 14.3 3.8 31.6 197 197 A S < - 0 0 4 -3,-1.1 2,-0.3 -4,-0.1 -1,-0.2 -0.337 35.6-129.2 -75.0 166.3 11.1 5.4 30.3 198 198 A N - 0 0 47 -197,-0.1 -81,-2.6 -79,-0.1 -80,-0.9 -0.827 27.8-162.9-116.4 158.7 11.3 7.6 27.2 199 199 A Y E -bD 3 116A 1 -197,-2.6 -195,-2.7 -83,-0.3 2,-0.4 -0.917 21.4-145.1-139.9 166.2 9.8 11.1 27.0 200 200 A R E -bD 4 115A 95 -85,-3.0 -85,-2.6 -2,-0.3 2,-0.6 -1.000 9.1-161.3-132.9 133.0 8.7 14.1 25.0 201 201 A V E -bD 5 114A 0 -197,-2.5 -195,-3.0 -2,-0.4 2,-0.5 -0.973 14.6-167.7-109.4 118.5 9.0 17.7 26.0 202 202 A T E -bD 6 113A 6 -89,-2.7 -89,-2.3 -2,-0.6 2,-0.3 -0.955 10.5-148.2-112.4 119.4 6.6 19.9 24.0 203 203 A F E S+bD 7 112A 0 -197,-2.9 -195,-2.3 -2,-0.5 -91,-0.3 -0.679 85.3 6.6 -81.8 140.2 7.0 23.7 24.1 204 204 A a S > S+ 0 0 8 -93,-2.6 3,-0.7 -2,-0.3 -1,-0.2 0.960 77.2 179.8 52.3 58.3 3.6 25.5 23.7 205 205 A P T 3 S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.728 77.2 41.3 -62.7 -25.0 1.6 22.3 23.8 206 206 A T T 3 0 0 97 1,-0.2 -2,-0.1 -79,-0.1 -79,-0.0 0.551 360.0 360.0 -97.3 -14.3 -1.7 24.0 23.4 207 207 A A < 0 0 90 -3,-0.7 -197,-0.5 -4,-0.0 -1,-0.2 -0.310 360.0 360.0-155.2 360.0 -0.7 26.6 20.7