==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 07-JAN-08 3BVM . COMPND 2 MOLECULE: ENTEROTOXIN TYPE C-3; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR S.CHO . 226 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11498.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 23.0 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 21 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 12.8 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 0 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 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 PARALLEL BRIDGES PER LADDER . 3 0 2 2 1 0 0 1 1 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 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 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 E 0 0 196 0, 0.0 2,-0.1 0, 0.0 183,-0.0 0.000 360.0 360.0 360.0 -27.4 42.3 43.2 37.5 2 2 A S - 0 0 51 1,-0.1 184,-0.2 182,-0.0 182,-0.1 -0.285 360.0-111.1 -79.1 154.5 39.7 43.9 34.8 3 3 A Q - 0 0 75 182,-2.8 2,-0.1 -2,-0.1 -1,-0.1 -0.676 39.2-116.5 -82.6 131.0 40.1 45.7 31.4 4 4 A P - 0 0 106 0, 0.0 3,-0.2 0, 0.0 183,-0.1 -0.501 40.3-101.3 -64.5 141.3 38.3 48.9 31.5 5 5 A D - 0 0 52 1,-0.2 172,-0.0 -2,-0.1 182,-0.0 -0.064 55.2 -66.7 -54.9 162.6 35.5 48.9 28.9 6 6 A P - 0 0 19 0, 0.0 -1,-0.2 0, 0.0 169,-0.0 -0.284 44.6-146.1 -54.5 128.9 35.9 50.7 25.6 7 7 A M >> - 0 0 116 -3,-0.2 3,-2.3 1,-0.1 4,-0.5 -0.583 36.6 -98.9 -83.4 165.9 36.1 54.4 25.7 8 8 A P G >4 S+ 0 0 109 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.857 124.1 41.4 -60.1 -32.7 34.5 56.1 22.7 9 9 A D G 34 S+ 0 0 133 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.374 96.2 78.2 -93.3 8.2 37.9 56.6 21.0 10 10 A D G <4 S+ 0 0 78 -3,-2.3 2,-0.6 2,-0.1 -1,-0.2 0.585 81.0 86.6 -84.0 -13.6 39.3 53.1 21.9 11 11 A L S << S- 0 0 19 -3,-0.6 2,-0.1 -4,-0.5 164,-0.1 -0.835 79.3-126.6-101.8 119.0 37.3 51.5 19.1 12 12 A H - 0 0 68 -2,-0.6 2,-0.5 179,-0.2 162,-0.3 -0.353 23.7-140.3 -45.3 127.9 38.3 51.2 15.4 13 13 A K > - 0 0 66 1,-0.1 3,-1.6 160,-0.1 160,-0.2 -0.854 4.5-142.1 -98.4 129.6 35.7 52.7 13.1 14 14 A S G > S+ 0 0 8 158,-2.6 3,-1.6 -2,-0.5 158,-0.1 0.819 99.5 64.1 -61.1 -28.6 35.1 50.7 9.8 15 15 A S G 3 S+ 0 0 69 1,-0.3 -1,-0.3 157,-0.1 157,-0.1 0.591 99.4 56.5 -70.1 -8.6 34.6 54.0 7.8 16 16 A E G < S+ 0 0 101 -3,-1.6 179,-2.7 176,-0.1 2,-0.5 0.295 91.2 79.4-104.1 7.0 38.3 54.8 8.6 17 17 A F B < +a 195 0A 13 -3,-1.6 179,-0.2 177,-0.3 4,-0.1 -0.979 52.4 175.5-114.2 118.3 39.5 51.6 7.1 18 18 A T + 0 0 109 177,-2.1 178,-0.2 -2,-0.5 2,-0.1 -0.085 51.6 88.3-114.2 26.9 39.8 51.8 3.3 19 19 A G S S- 0 0 17 176,-0.6 2,-0.8 178,-0.1 178,-0.2 -0.327 95.3 -56.1-101.5-157.9 41.4 48.4 2.6 20 20 A T > - 0 0 50 176,-0.2 3,-2.7 1,-0.2 4,-0.3 -0.703 34.8-168.0 -94.9 104.1 39.5 45.1 2.0 21 21 A M T >> S+ 0 0 3 -2,-0.8 4,-2.9 146,-0.7 3,-1.1 0.711 87.8 73.8 -55.1 -27.6 37.1 44.0 4.7 22 22 A G H 3> S+ 0 0 16 144,-2.8 4,-2.1 1,-0.2 -1,-0.3 0.762 89.6 66.4 -55.0 -21.1 36.9 40.5 2.9 23 23 A N H <4 S+ 0 0 66 -3,-2.7 4,-0.4 143,-0.4 -1,-0.2 0.826 106.0 36.1 -73.7 -32.3 40.4 40.5 4.5 24 24 A M H X> S+ 0 0 1 -3,-1.1 3,-0.7 -4,-0.3 4,-0.5 0.813 113.8 58.9 -76.7 -41.9 38.9 40.5 8.0 25 25 A K H >X S+ 0 0 64 -4,-2.9 4,-1.6 140,-0.3 3,-1.4 0.885 98.8 59.8 -54.7 -41.2 36.0 38.3 6.8 26 26 A Y H 3< S+ 0 0 91 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.829 96.5 60.1 -56.6 -40.6 38.5 35.6 5.8 27 27 A L H <4 S+ 0 0 0 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.677 121.0 23.0 -64.3 -17.6 39.9 35.2 9.3 28 28 A Y H << S+ 0 0 0 -3,-1.4 2,-1.1 -4,-0.5 3,-0.4 0.503 91.0 102.7-127.0 -7.6 36.4 34.2 10.7 29 29 A D S < S- 0 0 60 -4,-1.6 3,-0.1 1,-0.3 -1,-0.1 -0.727 116.8 -41.9 -95.5 100.7 34.3 32.8 7.9 30 30 A D S S+ 0 0 95 -2,-1.1 2,-0.4 1,-0.2 -1,-0.3 0.942 109.1 137.2 42.2 56.8 34.3 29.1 8.3 31 31 A H + 0 0 22 -3,-0.4 2,-0.3 -4,-0.1 -1,-0.2 -0.987 17.7 114.9-137.1 121.2 38.0 29.5 9.0 32 32 A Y - 0 0 87 -2,-0.4 2,-0.4 -3,-0.1 55,-0.2 -0.863 51.4-121.6-176.4 147.7 40.0 27.7 11.8 33 33 A V E +B 86 0B 0 53,-2.7 53,-2.0 -2,-0.3 2,-0.3 -0.841 32.9 179.6 -81.0 131.8 42.7 25.3 12.8 34 34 A S E +B 85 0B 60 -2,-0.4 2,-0.3 51,-0.2 51,-0.2 -0.957 9.2 157.3-136.3 127.9 41.6 22.4 14.9 35 35 A A E -B 84 0B 11 49,-1.6 49,-2.4 -2,-0.3 2,-0.3 -0.961 19.5-156.3-142.8 150.2 43.8 19.6 16.3 36 36 A T E + 0 0 95 -2,-0.3 47,-0.2 47,-0.2 46,-0.0 -0.982 69.4 5.3-132.5 144.0 43.3 17.3 19.3 37 37 A K E S+ 0 0 139 -2,-0.3 2,-0.4 1,-0.2 46,-0.2 0.886 87.3 149.6 52.9 48.3 45.7 15.3 21.4 38 38 A V E -B 82 0B 29 44,-2.6 44,-2.2 -3,-0.1 2,-0.4 -0.847 34.5-155.9-109.7 146.9 48.8 16.8 19.7 39 39 A K - 0 0 100 -2,-0.4 13,-0.4 42,-0.2 42,-0.1 -0.956 32.8 -99.8-117.7 143.3 52.2 17.4 21.1 40 40 A S - 0 0 16 38,-0.7 11,-0.2 40,-0.4 3,-0.1 -0.195 29.5-172.5 -61.4 147.7 54.6 20.0 19.7 41 41 A V + 0 0 75 9,-2.6 2,-0.3 1,-0.2 10,-0.2 0.576 61.0 2.5-114.0 -18.0 57.4 18.8 17.4 42 42 A D B -D 50 0C 99 8,-1.4 8,-2.2 36,-0.1 2,-0.3 -0.939 54.2-134.9-161.8 172.8 59.5 21.9 16.9 43 43 A K + 0 0 50 -2,-0.3 6,-0.1 6,-0.2 3,-0.1 -0.999 11.8 178.0-141.2 144.5 60.2 25.6 17.6 44 44 A F S S+ 0 0 95 1,-0.4 -1,-0.1 -2,-0.3 2,-0.1 0.703 77.2 12.7-101.6 -86.9 61.1 28.6 15.6 45 45 A L S > S- 0 0 88 1,-0.1 3,-1.5 4,-0.0 -1,-0.4 -0.361 89.7-100.3 -78.7 168.8 61.3 31.7 17.9 46 46 A A T 3 S+ 0 0 55 1,-0.3 29,-0.1 -2,-0.1 24,-0.1 0.796 119.5 49.5 -66.7 -26.5 61.4 31.3 21.7 47 47 A H T 3 S+ 0 0 33 27,-0.1 21,-2.9 21,-0.1 -1,-0.3 0.246 101.9 77.6-100.8 13.1 57.8 32.2 22.2 48 48 A D E < - E 0 67C 0 -3,-1.5 2,-0.3 19,-0.2 19,-0.2 -0.786 54.6-156.5-120.5 167.0 56.3 29.8 19.6 49 49 A L E - E 0 66C 0 17,-2.6 17,-3.6 -2,-0.3 2,-0.4 -0.998 8.8-149.8-141.5 144.2 55.5 26.1 19.1 50 50 A I E -DE 42 65C 4 -8,-2.2 -9,-2.6 -2,-0.3 -8,-1.4 -0.932 15.4-173.3-118.2 133.2 55.1 24.1 15.8 51 51 A Y E - E 0 64C 1 13,-2.9 13,-2.4 -2,-0.4 2,-1.6 -0.974 34.3-115.7-126.2 139.5 52.7 21.0 15.5 52 52 A N + 0 0 89 -13,-0.4 2,-0.4 -2,-0.4 11,-0.2 -0.634 57.8 151.1 -68.7 87.2 52.1 18.5 12.8 53 53 A I - 0 0 6 -2,-1.6 2,-0.3 -18,-0.1 -2,-0.1 -0.998 26.7-163.3-123.1 122.9 48.5 19.5 12.1 54 54 A S - 0 0 77 -2,-0.4 2,-0.7 8,-0.2 8,-0.2 -0.809 23.4-124.4 -98.4 144.4 47.0 19.1 8.6 55 55 A D - 0 0 17 6,-1.3 4,-0.4 -2,-0.3 6,-0.2 -0.853 18.0-160.9 -80.0 118.9 43.8 20.7 7.3 56 56 A K S S+ 0 0 177 -2,-0.7 -1,-0.2 2,-0.1 0, 0.0 0.860 77.4 64.3 -68.0 -36.7 41.7 17.7 6.3 57 57 A K S S- 0 0 95 1,-0.1 -2,-0.0 -3,-0.1 -3,-0.0 0.889 120.5 -5.0 -48.1-116.1 39.6 20.2 4.1 58 58 A L S S- 0 0 143 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 0.304 92.2-121.9 -82.5 9.0 41.2 22.1 1.2 59 59 A K + 0 0 164 -4,-0.4 -1,-0.1 2,-0.1 -3,-0.1 0.908 59.6 144.4 48.1 75.2 44.8 20.6 2.0 60 60 A N + 0 0 74 1,-0.2 2,-0.3 37,-0.1 38,-0.2 0.645 62.0 11.9-107.9 -17.7 46.8 23.9 2.5 61 61 A Y - 0 0 17 -6,-0.2 -6,-1.3 36,-0.2 37,-0.3 -0.988 34.6-168.9-157.0 151.9 49.2 22.9 5.3 62 62 A D S S+ 0 0 92 35,-3.4 2,-0.3 -2,-0.3 -8,-0.2 0.101 84.3 56.6-126.2 14.9 50.7 19.9 7.4 63 63 A K E - f 0 98C 73 34,-0.7 36,-2.2 -11,-0.2 2,-0.5 -0.922 61.5-166.8-148.3 122.1 52.4 22.2 10.0 64 64 A V E -Ef 51 99C 1 -13,-2.4 -13,-2.9 -2,-0.3 2,-0.6 -0.949 6.3-159.0-109.6 123.6 50.9 24.9 12.2 65 65 A K E -Ef 50 100C 7 34,-2.1 36,-2.1 -2,-0.5 2,-0.5 -0.910 9.4-162.5 -92.6 123.8 53.1 27.3 14.1 66 66 A T E -Ef 49 101C 0 -17,-3.6 -17,-2.6 -2,-0.6 2,-0.5 -0.904 4.2-150.9-109.9 132.0 51.5 28.9 17.1 67 67 A E E -Ef 48 102C 21 34,-2.0 36,-2.2 -2,-0.5 -19,-0.2 -0.838 12.0-164.2-101.8 129.6 52.9 32.1 18.7 68 68 A L - 0 0 0 -21,-2.9 141,-0.2 -2,-0.5 140,-0.1 -0.664 35.4-104.2-107.9 166.0 52.4 32.9 22.3 69 69 A L S S- 0 0 93 139,-2.3 2,-0.3 -2,-0.2 140,-0.1 0.820 95.3 -8.1 -52.0 -38.9 52.8 36.0 24.4 70 70 A N S > S- 0 0 39 138,-0.3 4,-1.7 -23,-0.2 -2,-0.1 -0.941 71.5 -91.9-154.7 176.8 56.1 34.8 25.9 71 71 A E H > S+ 0 0 97 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.791 115.7 59.0 -61.9 -34.7 58.8 32.1 26.4 72 72 A D H > S+ 0 0 126 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.932 105.8 46.8 -66.4 -48.9 57.2 30.8 29.6 73 73 A L H > S+ 0 0 35 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.917 114.1 49.6 -51.9 -50.5 53.8 30.0 28.0 74 74 A A H X S+ 0 0 0 -4,-1.7 4,-1.1 2,-0.2 3,-0.4 0.968 112.3 46.7 -55.9 -53.7 55.8 28.2 25.2 75 75 A K H X S+ 0 0 132 -4,-2.9 4,-0.5 1,-0.2 3,-0.4 0.880 109.4 56.9 -52.2 -46.0 57.9 26.2 27.7 76 76 A K H < S+ 0 0 110 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.842 116.5 31.0 -56.0 -48.3 54.8 25.3 29.7 77 77 A Y H >< S+ 0 0 22 -4,-1.8 3,-1.4 -3,-0.4 -37,-0.4 0.493 91.4 102.0 -92.2 -2.8 52.9 23.6 26.8 78 78 A K H 3< S+ 0 0 74 -4,-1.1 -38,-0.7 -3,-0.4 -1,-0.1 0.902 95.2 23.0 -49.7 -54.1 56.0 22.4 24.9 79 79 A D T 3< S+ 0 0 106 -4,-0.5 -1,-0.3 -3,-0.2 2,-0.2 0.214 101.6 113.8-104.3 19.2 55.7 18.7 26.0 80 80 A E S < S- 0 0 74 -3,-1.4 2,-0.6 1,-0.0 -40,-0.4 -0.607 71.3-120.5 -87.2 147.2 52.1 18.7 26.9 81 81 A V + 0 0 60 -2,-0.2 27,-2.7 -42,-0.1 28,-0.6 -0.827 53.4 169.7 -83.5 119.3 49.3 16.7 25.1 82 82 A V E -BC 38 107B 0 -44,-2.2 -44,-2.6 -2,-0.6 2,-0.4 -0.808 40.2-129.5-134.9 153.0 47.0 19.6 23.9 83 83 A D E - C 0 106B 1 23,-2.7 23,-1.8 -2,-0.3 2,-0.4 -0.881 27.8-150.3-100.3 144.1 44.0 20.5 21.8 84 84 A V E +BC 35 105B 0 -49,-2.4 -49,-1.6 -2,-0.4 2,-0.3 -0.942 20.2 169.5-113.6 135.7 44.6 23.5 19.4 85 85 A Y E +B 34 0B 15 19,-1.9 2,-0.3 -2,-0.4 -51,-0.2 -0.896 25.1 111.7-141.5 125.1 41.8 25.9 18.3 86 86 A G E -B 33 0B 0 -53,-2.0 -53,-2.7 -2,-0.3 2,-0.6 -0.993 61.2 -84.9-173.2 176.6 42.5 29.1 16.5 87 87 A S - 0 0 0 -2,-0.3 15,-0.3 15,-0.2 2,-0.2 -0.883 44.1-154.6-100.1 117.5 42.4 31.5 13.4 88 88 A N - 0 0 5 -2,-0.6 2,-0.3 13,-0.1 13,-0.2 -0.487 10.2-168.8 -92.0 155.5 45.3 30.9 11.0 89 89 A Y B -G 100 0C 4 11,-1.9 11,-2.3 -2,-0.2 3,-0.0 -0.912 16.1-162.9-133.9 167.8 46.9 33.3 8.5 90 90 A Y > + 0 0 77 -2,-0.3 3,-1.4 9,-0.2 2,-0.4 0.616 61.4 97.7-123.1 -25.0 49.5 32.9 5.6 91 91 A V T 3 S- 0 0 91 1,-0.3 110,-0.3 9,-0.1 3,-0.1 -0.576 105.2 -3.6 -77.3 130.5 50.7 36.4 4.9 92 92 A N T 3 S+ 0 0 122 -2,-0.4 2,-0.9 1,-0.3 -1,-0.3 0.659 94.5 143.1 55.5 22.4 54.0 37.2 6.6 93 93 A a < + 0 0 12 -3,-1.4 2,-0.5 5,-0.1 -1,-0.3 -0.819 25.5 168.7 -82.9 106.6 53.8 33.7 8.1 94 94 A Y 0 0 174 -2,-0.9 5,-0.0 -3,-0.1 -3,-0.0 -0.984 360.0 360.0-126.4 129.6 57.4 32.7 8.1 95 95 A F 0 0 49 -2,-0.5 -1,-0.1 -51,-0.1 5,-0.0 0.352 360.0 360.0-149.8 360.0 59.1 29.8 9.7 96 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 97 107 A G 0 0 77 0, 0.0 -35,-3.4 0, 0.0 -34,-0.7 0.000 360.0 360.0 360.0 24.1 52.5 23.3 3.3 98 108 A K E -f 63 0C 78 -37,-0.3 2,-0.3 -38,-0.2 -34,-0.2 -0.947 360.0-179.2-135.0 149.8 52.6 25.6 6.4 99 109 A T E -f 64 0C 0 -36,-2.2 -34,-2.1 -2,-0.3 2,-0.3 -0.934 15.3-137.6-141.4 161.2 50.3 28.1 8.2 100 110 A a E +fG 65 89C 0 -11,-2.3 -11,-1.9 -2,-0.3 2,-0.3 -0.837 23.5 155.5-121.7 162.5 50.6 30.4 11.3 101 111 A M E -f 66 0C 0 -36,-2.1 -34,-2.0 -2,-0.3 2,-0.3 -0.921 30.8-112.0-163.1-171.7 48.5 31.4 14.3 102 112 A Y E -f 67 0C 5 -15,-0.3 -15,-0.2 -2,-0.3 -34,-0.2 -0.998 68.0 -33.5-136.4 145.7 48.5 32.7 17.9 103 113 A G + 0 0 0 -36,-2.2 105,-0.1 -2,-0.3 -18,-0.1 -0.258 64.5 140.9 49.8-125.5 47.5 31.1 21.2 104 114 A G + 0 0 2 103,-0.4 -19,-1.9 1,-0.2 2,-0.4 0.437 39.0 136.8 70.3 5.5 44.7 28.6 20.8 105 115 A I E +C 84 0B 0 -21,-0.2 2,-0.3 39,-0.1 -21,-0.2 -0.693 20.1 155.7-103.4 128.7 46.3 26.2 23.3 106 116 A T E -C 83 0B 7 -23,-1.8 -23,-2.7 -2,-0.4 5,-0.1 -0.992 43.9-108.0-141.9 139.2 44.6 24.1 26.1 107 117 A K E -C 82 0B 92 -2,-0.3 -25,-0.3 -25,-0.2 36,-0.2 -0.323 22.3-147.1 -66.4 148.0 45.9 20.8 27.8 108 118 A H S > S+ 0 0 47 -27,-2.7 3,-1.8 -70,-0.1 2,-0.2 0.910 70.6 88.7 -84.5 -47.0 43.8 17.8 26.8 109 119 A E T 3 S+ 0 0 180 -28,-0.6 -2,-0.1 1,-0.3 -28,-0.0 -0.396 107.5 0.2 -58.3 115.6 44.0 15.7 30.0 110 120 A G T 3 S+ 0 0 70 -2,-0.2 -1,-0.3 3,-0.1 -2,-0.1 0.476 100.5 107.8 93.4 7.1 41.1 16.7 32.2 111 121 A N < + 0 0 17 -3,-1.8 31,-2.4 31,-0.1 32,-0.3 0.148 56.1 86.3-111.7 18.8 39.5 19.3 30.1 112 122 A H B S-H 141 0D 58 29,-0.2 29,-0.2 30,-0.1 6,-0.1 -0.865 75.1-105.0-125.6 149.7 36.3 17.7 28.8 113 123 A F - 0 0 34 27,-0.9 3,-0.5 4,-0.4 -1,-0.1 -0.118 37.4-112.7 -67.3 173.7 32.8 17.3 30.0 114 124 A D S S+ 0 0 140 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.830 104.8 36.7 -97.0 -39.5 31.6 14.0 31.4 115 125 A N S S- 0 0 148 3,-0.0 -1,-0.2 0, 0.0 3,-0.1 0.019 122.0 -93.2 -95.9 31.3 29.0 12.3 29.1 116 126 A G S S+ 0 0 71 -3,-0.5 -2,-0.1 1,-0.2 2,-0.1 0.869 77.4 166.5 59.7 38.7 30.9 13.7 26.2 117 127 A N - 0 0 103 23,-0.1 2,-0.4 1,-0.0 -4,-0.4 -0.398 36.2-128.3 -83.4 159.7 28.5 16.6 26.3 118 128 A L - 0 0 109 -2,-0.1 2,-0.4 -3,-0.1 22,-0.2 -0.913 20.2-136.5-102.7 138.8 28.9 19.9 24.6 119 129 A Q E -I 139 0E 45 20,-3.2 20,-1.9 -2,-0.4 2,-0.4 -0.786 11.7-140.9 -94.1 134.2 28.6 23.1 26.6 120 130 A N E -I 138 0E 66 -2,-0.4 2,-0.5 18,-0.2 18,-0.2 -0.798 12.0-164.1 -91.6 135.3 26.5 26.0 25.3 121 131 A V E -I 137 0E 2 16,-3.6 16,-2.5 -2,-0.4 2,-0.5 -0.983 19.4-129.7-119.2 130.0 27.8 29.5 25.8 122 132 A L E -I 136 0E 67 -2,-0.5 98,-1.3 96,-0.4 2,-0.5 -0.680 16.6-163.2 -88.2 128.1 25.4 32.3 25.3 123 133 A V E -Ij 135 220E 1 12,-4.1 12,-2.8 -2,-0.5 2,-0.6 -0.930 4.5-161.8-106.2 124.4 26.2 35.3 23.1 124 134 A R E -Ij 134 221E 106 96,-1.8 98,-2.9 -2,-0.5 2,-0.5 -0.899 10.1-149.0-108.5 121.1 24.1 38.4 23.5 125 135 A V E -Ij 133 222E 0 8,-2.6 7,-1.2 -2,-0.6 8,-0.8 -0.790 9.3-166.1-102.6 132.1 24.2 40.9 20.6 126 136 A Y E -Ij 131 223E 56 96,-3.2 98,-4.3 -2,-0.5 2,-0.5 -0.968 4.5-175.7-120.2 119.1 23.8 44.6 21.2 127 137 A E E > S-Ij 130 224E 28 3,-2.5 3,-1.2 -2,-0.5 98,-0.2 -0.980 80.2 -15.2-121.0 118.1 23.2 46.9 18.2 128 138 A N T 3 S- 0 0 88 96,-2.4 -1,-0.2 -2,-0.5 97,-0.1 0.913 131.6 -53.2 47.2 49.0 23.0 50.6 19.0 129 139 A K T 3 S+ 0 0 205 95,-0.5 2,-0.4 1,-0.2 -1,-0.2 0.621 115.2 112.0 66.9 19.2 22.6 49.6 22.7 130 140 A R E < -I 127 0E 177 -3,-1.2 -3,-2.5 0, 0.0 2,-1.2 -0.981 69.2-127.3-121.9 138.7 19.6 47.2 22.2 131 141 A N E +I 126 0E 59 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.689 43.6 157.9 -81.3 97.8 19.7 43.4 22.6 132 142 A T E + 0 0 56 -7,-1.2 2,-0.4 -2,-1.2 -1,-0.2 0.857 59.6 14.4 -94.1 -43.0 18.3 42.4 19.3 133 143 A I E -I 125 0E 42 -8,-0.8 -8,-2.6 2,-0.0 2,-0.4 -0.997 57.4-169.6-137.1 146.8 19.5 38.8 18.9 134 144 A S E +I 124 0E 47 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.986 13.5 172.0-131.7 146.7 21.0 36.2 21.2 135 145 A F E -I 123 0E 15 -12,-2.8 -12,-4.1 -2,-0.4 2,-0.4 -0.978 25.3-120.8-150.4 158.2 22.6 32.9 20.2 136 146 A E E -I 122 0E 103 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.796 15.9-166.3-105.1 140.7 24.5 30.0 21.6 137 147 A V E -I 121 0E 7 -16,-2.5 -16,-3.6 -2,-0.4 2,-0.3 -0.883 18.6-136.4-116.3 161.2 28.0 28.7 20.6 138 148 A Q E +I 120 0E 80 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.870 24.0 166.6-125.4 141.2 29.3 25.3 21.7 139 149 A T E -I 119 0E 2 -20,-1.9 -20,-3.2 -2,-0.3 5,-0.1 -0.978 29.5-147.8-146.1 158.4 32.5 23.8 23.0 140 150 A D S S+ 0 0 65 -2,-0.3 -27,-0.9 -22,-0.2 2,-0.4 0.265 71.7 97.2-105.3 9.4 33.5 20.6 24.5 141 151 A K B -H 112 0D 11 -29,-0.2 -29,-0.2 1,-0.1 3,-0.2 -0.822 59.9-154.0-104.0 137.6 36.3 22.1 26.6 142 152 A K S S+ 0 0 78 -31,-2.4 73,-2.3 -2,-0.4 2,-0.7 0.914 99.7 35.6 -69.4 -53.7 35.8 23.0 30.3 143 153 A S E S+M 214 0F 37 -32,-0.3 2,-0.3 71,-0.2 -1,-0.3 -0.937 87.3 178.6-101.1 108.2 38.6 25.7 30.0 144 154 A V E -M 213 0F 0 69,-2.2 69,-2.7 -2,-0.7 -39,-0.1 -0.856 32.4-108.8-111.2 145.0 38.2 27.0 26.4 145 155 A T E > -M 212 0F 3 -2,-0.3 4,-1.4 67,-0.3 67,-0.3 -0.415 20.6-130.0 -67.6 151.8 40.3 29.8 24.8 146 156 A A H > S+ 0 0 0 65,-2.2 4,-2.4 1,-0.2 5,-0.2 0.798 110.4 63.1 -70.8 -27.5 38.4 33.1 24.4 147 157 A Q H > S+ 0 0 5 64,-0.5 4,-3.0 2,-0.2 -1,-0.2 0.909 99.1 52.0 -55.6 -54.9 39.7 32.9 20.8 148 158 A E H > S+ 0 0 3 2,-0.2 4,-2.2 -63,-0.2 -2,-0.2 0.949 114.3 41.2 -46.2 -64.0 37.8 29.7 20.2 149 159 A L H X S+ 0 0 1 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.799 114.3 52.0 -54.6 -41.9 34.5 31.3 21.4 150 160 A D H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.944 109.3 51.2 -60.3 -49.8 35.1 34.6 19.6 151 161 A I H X S+ 0 0 1 -4,-3.0 4,-3.3 1,-0.2 5,-0.2 0.952 112.1 45.9 -50.4 -56.8 35.8 32.7 16.3 152 162 A K H X S+ 0 0 54 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.831 113.9 49.2 -57.0 -39.2 32.5 30.7 16.6 153 163 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.847 113.5 45.4 -73.0 -36.0 30.6 33.9 17.4 154 164 A R H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.910 109.3 55.4 -72.5 -41.0 32.0 35.8 14.5 155 165 A N H X S+ 0 0 46 -4,-3.3 4,-1.5 -5,-0.2 -2,-0.2 0.948 111.6 44.6 -47.5 -50.6 31.5 33.0 12.1 156 166 A F H X S+ 0 0 80 -4,-1.7 4,-2.8 -5,-0.2 5,-0.3 0.914 113.2 50.9 -65.5 -36.9 27.8 33.0 13.1 157 167 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 6,-1.7 0.851 103.5 57.1 -74.8 -33.0 27.6 36.8 12.9 158 168 A I H X S+ 0 0 8 -4,-2.8 4,-0.6 4,-0.3 -1,-0.2 0.893 115.6 39.7 -55.8 -43.6 29.2 36.9 9.4 159 169 A N H < S+ 0 0 107 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.1 0.923 125.0 33.0 -70.5 -50.1 26.3 34.5 8.2 160 170 A K H < S+ 0 0 135 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.790 136.0 18.8 -80.3 -28.5 23.3 36.0 10.1 161 171 A K H < S- 0 0 55 -4,-2.1 -3,-0.2 -5,-0.3 -1,-0.1 0.360 91.7-120.6-135.0 2.8 24.2 39.6 10.2 162 172 A N < + 0 0 72 -4,-0.6 -4,-0.3 -5,-0.3 -3,-0.1 0.829 44.4 172.3 55.1 30.8 26.8 40.2 7.5 163 173 A L + 0 0 0 -6,-1.7 8,-0.4 -9,-0.1 2,-0.4 0.806 69.8 20.5 -34.8 -49.7 29.1 41.4 10.2 164 174 A Y S S- 0 0 1 5,-0.2 2,-0.2 -10,-0.1 5,-0.2 -0.976 74.5-179.6-124.9 137.6 32.0 41.6 7.7 165 175 A E - 0 0 66 3,-2.6 -140,-0.3 -2,-0.4 -141,-0.2 -0.770 43.9 -94.0-128.5 177.3 31.6 41.8 3.9 166 176 A F S S+ 0 0 120 -2,-0.2 -144,-2.8 -145,-0.2 -143,-0.4 0.954 120.1 16.8 -57.6 -51.0 34.0 41.9 1.0 167 177 A N S S- 0 0 125 -146,-0.2 -146,-0.7 -147,-0.2 2,-0.2 0.872 131.8 -10.9 -91.9 -39.9 34.1 45.7 0.7 168 178 A S - 0 0 56 -148,-0.1 -3,-2.6 -147,-0.1 -1,-0.1 -0.644 56.6-113.5-142.3-171.0 32.6 46.9 4.0 169 179 A S - 0 0 1 -5,-0.2 -5,-0.2 -2,-0.2 -6,-0.1 -0.971 23.1-133.1-128.4 143.9 30.8 46.1 7.2 170 180 A P S S+ 0 0 51 0, 0.0 57,-1.5 0, 0.0 2,-0.3 0.480 89.3 80.8 -72.2 5.8 27.3 47.4 7.8 171 181 A Y E -K 226 0E 7 -8,-0.4 55,-0.3 55,-0.2 -2,-0.2 -0.846 61.2-161.9-114.2 144.7 28.7 48.4 11.3 172 182 A E E S+ 0 0 34 53,-2.4 -158,-2.6 -2,-0.3 2,-0.3 0.933 80.1 12.2 -79.8 -59.4 30.9 51.3 12.4 173 183 A T E +K 225 0E 19 52,-0.6 52,-2.0 -160,-0.2 2,-0.3 -0.831 63.0 177.9-121.7 155.5 32.2 49.8 15.7 174 184 A G E +K 224 0E 0 -162,-0.3 16,-2.8 -2,-0.3 17,-0.6 -0.940 4.0 172.6-151.9 138.1 32.3 46.4 17.2 175 185 A Y E -KL 223 189E 35 48,-1.3 48,-3.7 -2,-0.3 2,-0.4 -0.988 19.9-147.8-142.7 143.7 33.6 44.8 20.4 176 186 A I E -KL 222 188E 0 12,-1.7 12,-2.2 -2,-0.3 2,-0.4 -0.913 20.8-160.7-102.1 130.4 33.3 41.3 22.0 177 187 A K E -KL 221 187E 28 44,-2.7 44,-1.9 -2,-0.4 2,-0.5 -0.959 7.0-154.2-120.8 128.4 33.4 41.3 25.8 178 188 A F E -KL 220 186E 0 8,-4.3 8,-1.8 -2,-0.4 2,-0.6 -0.894 6.7-168.5-102.4 129.5 34.1 38.3 28.1 179 189 A I E -KL 219 185E 22 40,-2.7 40,-2.3 -2,-0.5 6,-0.2 -0.960 11.1-158.1-118.5 108.3 32.7 38.4 31.6 180 190 A E > - 0 0 22 4,-3.2 3,-1.7 -2,-0.6 38,-0.1 -0.385 29.4-110.2 -82.4 158.6 34.1 35.7 33.8 181 191 A N T 3 S+ 0 0 119 1,-0.3 -1,-0.1 2,-0.1 37,-0.0 0.404 116.4 61.8 -76.2 5.2 32.4 34.3 37.0 182 192 A N T 3 S- 0 0 89 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.099 123.7-102.3-104.3 16.9 35.0 35.9 39.2 183 193 A G S < S+ 0 0 50 -3,-1.7 -2,-0.1 1,-0.3 -181,-0.0 0.160 76.9 140.1 83.7 -17.6 34.0 39.4 37.9 184 194 A N - 0 0 21 -5,-0.1 -4,-3.2 -182,-0.1 2,-0.4 -0.359 29.5-172.4 -65.9 129.8 36.9 39.7 35.5 185 195 A T E +L 179 0E 21 -6,-0.2 -182,-2.8 -3,-0.1 2,-0.3 -0.970 11.4 166.9-117.6 147.3 36.0 41.3 32.1 186 196 A F E -L 178 0E 16 -8,-1.8 -8,-4.3 -2,-0.4 2,-0.3 -0.959 12.5-159.1-146.5 168.5 38.0 41.8 28.9 187 197 A W E -L 177 0E 28 -2,-0.3 2,-0.4 -10,-0.3 -10,-0.2 -0.991 9.6-143.5-149.8 145.2 37.1 42.7 25.3 188 198 A Y E -L 176 0E 18 -12,-2.2 -12,-1.7 -2,-0.3 2,-0.3 -0.926 26.2-119.6-108.4 140.9 38.5 42.5 21.7 189 199 A D E -L 175 0E 19 -2,-0.4 -14,-0.2 -14,-0.2 -178,-0.0 -0.631 19.7-161.6 -76.3 128.0 38.1 45.2 19.0 190 200 A M + 0 0 0 -16,-2.8 -15,-0.2 -2,-0.3 -1,-0.1 0.621 65.0 75.6 -84.9 -16.1 36.2 43.7 16.1 191 201 A M S S- 0 0 0 -17,-0.6 -179,-0.2 -179,-0.1 -178,-0.1 -0.701 83.7-109.5-102.8 147.6 37.2 46.3 13.5 192 202 A P - 0 0 1 0, 0.0 -176,-0.1 0, 0.0 3,-0.1 -0.286 43.5 -87.7 -71.9 159.6 40.5 46.6 11.7 193 203 A A - 0 0 53 1,-0.1 4,-0.1 6,-0.1 10,-0.0 -0.276 59.1 -82.0 -58.8 150.0 42.9 49.5 12.4 194 204 A P S S+ 0 0 78 0, 0.0 -177,-0.3 0, 0.0 2,-0.2 -0.127 86.4 47.9 -51.1 146.7 42.5 52.8 10.3 195 205 A G B S-a 17 0A 30 -179,-2.7 -177,-2.1 1,-0.1 -176,-0.6 -0.612 92.6 -60.2 117.9-172.6 44.0 52.9 6.8 196 206 A D S S+ 0 0 130 -178,-0.2 2,-0.4 -2,-0.2 -176,-0.2 0.466 103.3 60.9-101.3 -3.6 44.4 51.1 3.5 197 207 A K - 0 0 130 -3,-0.2 2,-0.5 -178,-0.2 -1,-0.1 -0.990 62.3-152.0-129.2 128.7 46.1 47.9 4.5 198 208 A F - 0 0 24 -2,-0.4 2,-0.7 -178,-0.1 -178,-0.1 -0.858 7.4-159.1 -91.6 128.4 44.9 45.0 6.8 199 209 A D > - 0 0 34 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 -0.919 5.8-172.2-110.0 100.0 47.7 43.0 8.6 200 210 A Q H > S+ 0 0 20 -2,-0.7 4,-3.0 1,-0.2 5,-0.2 0.927 83.1 53.9 -58.2 -49.1 46.2 39.8 9.6 201 211 A S H > S+ 0 0 20 -110,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.882 112.3 43.6 -55.0 -48.0 49.2 38.7 11.6 202 212 A K H >4 S+ 0 0 158 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.896 114.3 50.5 -66.5 -44.5 49.2 41.9 13.6 203 213 A Y H >< S+ 0 0 28 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.932 111.8 47.1 -52.7 -49.2 45.4 41.8 14.1 204 214 A L H >< S+ 0 0 0 -4,-3.0 3,-1.9 1,-0.3 -1,-0.2 0.604 89.2 86.8 -74.1 -8.9 45.4 38.1 15.3 205 215 A M G X< + 0 0 68 -3,-0.6 3,-2.1 -4,-0.6 -1,-0.3 0.686 69.0 76.3 -74.8 -22.1 48.3 38.8 17.7 206 216 A M G X S+ 0 0 53 -3,-1.1 3,-0.7 -4,-0.3 -1,-0.3 0.777 84.9 64.6 -50.2 -34.9 45.9 39.9 20.4 207 217 A Y G X S+ 0 0 3 -3,-1.9 3,-1.4 1,-0.2 -103,-0.4 0.450 75.7 104.7 -71.5 0.4 45.1 36.2 20.9 208 218 A N G < + 0 0 27 -3,-2.1 -139,-2.3 1,-0.3 -105,-0.3 0.677 66.3 63.1 -38.8 -46.5 48.9 35.9 22.0 209 219 A D G < S- 0 0 69 -3,-0.7 -1,-0.3 -141,-0.2 -2,-0.1 0.475 98.3-133.9 -77.3 -6.3 48.2 35.6 25.7 210 220 A N < - 0 0 10 -3,-1.4 -2,-0.1 1,-0.2 -3,-0.1 0.784 31.9-167.6 55.5 34.2 46.3 32.3 25.3 211 221 A K - 0 0 62 -66,-0.1 -65,-2.2 -4,-0.1 -64,-0.5 -0.150 4.7-169.8 -54.9 127.4 43.5 33.6 27.5 212 222 A T E -M 145 0F 37 -67,-0.3 2,-0.3 -66,-0.1 -67,-0.3 -0.919 4.3-167.4-118.5 157.9 41.0 30.8 28.6 213 223 A V E -M 144 0F 3 -69,-2.7 -69,-2.2 -2,-0.3 2,-0.9 -0.900 35.9 -91.4-134.8 163.6 37.7 31.1 30.3 214 224 A D E >> -M 143 0F 87 -2,-0.3 4,-3.1 -71,-0.2 3,-0.9 -0.719 32.8-158.8 -78.3 110.7 35.3 28.8 32.1 215 225 A S T 34 S+ 0 0 2 -73,-2.3 -1,-0.2 -2,-0.9 -72,-0.1 0.836 86.6 55.4 -61.4 -35.9 33.0 27.7 29.4 216 226 A K T 34 S+ 0 0 141 -74,-0.4 -1,-0.3 1,-0.2 -96,-0.1 0.735 124.0 20.7 -71.6 -30.0 30.2 26.7 31.8 217 227 A S T <4 S+ 0 0 43 -3,-0.9 -2,-0.2 2,-0.0 -1,-0.2 0.507 93.0 114.1-116.8 -9.8 29.9 30.1 33.6 218 228 A V < - 0 0 12 -4,-3.1 2,-0.4 -38,-0.1 -96,-0.4 -0.225 50.8-149.7 -60.9 150.4 31.5 32.6 31.1 219 229 A K E - K 0 179E 132 -40,-2.3 -40,-2.7 -98,-0.1 2,-0.4 -0.981 7.4-160.7-120.4 136.4 29.2 35.4 29.6 220 230 A I E -jK 123 178E 3 -98,-1.3 -96,-1.8 -2,-0.4 2,-0.4 -0.956 6.2-173.5-115.6 136.3 29.9 36.9 26.1 221 231 A E E -jK 124 177E 45 -44,-1.9 -44,-2.7 -2,-0.4 2,-0.6 -0.996 10.5-156.0-126.7 135.7 28.4 40.2 24.9 222 232 A V E -jK 125 176E 0 -98,-2.9 -96,-3.2 -2,-0.4 2,-0.8 -0.923 11.4-163.9-110.4 115.9 28.8 41.5 21.3 223 233 A H E +jK 126 175E 37 -48,-3.7 -48,-1.3 -2,-0.6 2,-0.3 -0.813 14.8 171.0-109.7 107.5 28.5 45.3 21.1 224 234 A L E -jK 127 174E 6 -98,-4.3 -96,-2.4 -2,-0.8 -95,-0.5 -0.795 19.2-162.9-118.3 156.5 27.9 46.8 17.7 225 235 A T E - K 0 173E 51 -52,-2.0 -53,-2.4 -2,-0.3 -52,-0.6 -0.985 22.7-129.0-133.9 136.5 27.0 50.2 16.3 226 236 A T E K 0 171E 66 -2,-0.3 -55,-0.2 -55,-0.3 -99,-0.0 -0.567 360.0 360.0 -95.4 157.5 25.5 50.8 12.7 227 237 A K 0 0 135 -57,-1.5 -1,-0.1 -2,-0.2 -56,-0.1 0.950 360.0 360.0 -69.7 360.0 26.6 53.2 9.9