==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION, MEMBRANE PROTEIN 14-AUG-06 2I1K . COMPND 2 MOLECULE: MOESIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SPODOPTERA FRUGIPERDA; . AUTHOR M.R.NANCE,J.J.G.TESMER . 545 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30545.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 405 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 11.4 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 255 46.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 1 0 1 1 2 1 0 1 2 0 0 0 1 1 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 1 1 3 2 3 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 . 0 0 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 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 3 A K 0 0 205 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -67.7 2.2 -58.9 -11.5 2 4 A S - 0 0 79 17,-0.1 2,-0.3 18,-0.1 17,-0.2 -0.479 360.0-151.4 -73.9 135.2 0.1 -60.5 -8.8 3 5 A M E -A 18 0A 69 15,-2.1 15,-2.8 -2,-0.2 2,-0.5 -0.833 10.1-133.3-115.6 142.4 1.0 -59.5 -5.2 4 6 A N E -A 17 0A 79 -2,-0.3 70,-2.7 13,-0.2 2,-0.3 -0.809 28.5-176.9 -89.2 132.2 0.8 -61.2 -1.8 5 7 A V E -Ab 16 74A 1 11,-2.5 11,-2.1 -2,-0.5 2,-0.4 -0.943 16.0-155.7-127.8 148.6 -0.6 -59.2 1.0 6 8 A R E -Ab 15 75A 49 68,-3.6 70,-2.5 -2,-0.3 2,-0.5 -0.997 8.3-169.9-122.0 127.8 -1.2 -59.8 4.7 7 9 A V E -Ab 14 76A 0 7,-2.4 7,-2.6 -2,-0.4 2,-0.6 -0.975 6.0-160.4-116.2 123.7 -3.8 -57.9 6.7 8 10 A T E -Ab 13 77A 36 68,-2.3 70,-2.0 -2,-0.5 5,-0.2 -0.919 8.6-177.2-107.1 116.7 -3.8 -58.2 10.5 9 11 A T - 0 0 3 3,-2.4 3,-0.4 -2,-0.6 70,-0.1 -0.458 49.0 -94.7 -90.7 177.3 -7.0 -57.4 12.4 10 12 A M S S+ 0 0 47 1,-0.2 3,-0.1 68,-0.2 69,-0.0 0.655 125.5 28.4 -68.4 -14.2 -7.0 -57.5 16.2 11 13 A D S S+ 0 0 26 1,-0.2 2,-0.3 319,-0.0 -1,-0.2 0.379 122.4 34.8-126.7 2.6 -8.4 -61.1 16.0 12 14 A A - 0 0 6 -3,-0.4 -3,-2.4 2,-0.0 2,-0.5 -0.996 52.7-144.1-156.2 151.6 -7.1 -62.5 12.7 13 15 A E E -A 8 0A 88 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.998 23.4-165.5-113.4 128.0 -4.3 -62.7 10.2 14 16 A L E -A 7 0A 1 -7,-2.6 -7,-2.4 -2,-0.5 2,-0.5 -0.974 3.0-169.4-115.9 123.6 -5.5 -63.0 6.6 15 17 A E E +A 6 0A 110 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.960 25.4 137.3-114.8 123.9 -3.0 -64.0 3.9 16 18 A F E -A 5 0A 14 -11,-2.1 -11,-2.5 -2,-0.5 2,-0.3 -0.988 45.8-111.5-163.4 156.4 -4.1 -63.6 0.3 17 19 A A E -A 4 0A 38 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.681 26.4-164.9 -95.1 147.1 -3.1 -62.5 -3.2 18 20 A I E -A 3 0A 5 -15,-2.8 -15,-2.1 -2,-0.3 9,-0.0 -0.889 28.7 -95.4-124.2 160.6 -4.4 -59.5 -5.1 19 21 A Q > - 0 0 133 -2,-0.3 3,-1.4 -17,-0.2 -17,-0.1 -0.269 41.1-104.8 -70.3 160.3 -4.2 -58.5 -8.8 20 22 A Q T 3 S+ 0 0 100 1,-0.3 44,-0.4 43,-0.1 -1,-0.1 0.844 118.8 40.5 -55.3 -37.2 -1.5 -56.0 -9.8 21 23 A T T 3 S+ 0 0 60 42,-0.1 2,-0.3 41,-0.1 -1,-0.3 -0.179 78.3 146.5-110.1 38.1 -4.0 -53.1 -10.1 22 24 A T < - 0 0 11 -3,-1.4 41,-2.8 40,-0.1 42,-0.4 -0.583 43.6-131.6 -75.7 132.8 -6.2 -53.7 -7.0 23 25 A T B >> -E 62 0B 38 -2,-0.3 4,-1.8 39,-0.3 3,-0.6 -0.487 23.5-107.4 -80.5 156.2 -7.4 -50.4 -5.5 24 26 A G H 3> S+ 0 0 0 37,-2.1 4,-2.7 34,-0.5 35,-0.2 0.835 122.5 54.2 -45.9 -36.3 -7.2 -49.7 -1.8 25 27 A K H 3> S+ 0 0 13 34,-2.6 4,-3.3 2,-0.2 -1,-0.2 0.868 102.9 54.0 -71.5 -36.8 -10.9 -50.3 -1.6 26 28 A Q H <> S+ 0 0 94 -3,-0.6 4,-1.2 33,-0.3 -1,-0.2 0.842 113.0 44.2 -67.9 -33.2 -10.8 -53.7 -3.3 27 29 A L H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.936 114.6 48.7 -70.6 -51.2 -8.2 -54.7 -0.6 28 30 A F H X S+ 0 0 4 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.901 109.6 52.2 -55.0 -47.3 -10.3 -53.1 2.2 29 31 A D H X S+ 0 0 6 -4,-3.3 4,-3.0 1,-0.2 5,-0.3 0.896 105.4 54.3 -60.5 -41.1 -13.5 -54.8 1.0 30 32 A Q H X S+ 0 0 16 -4,-1.2 4,-1.2 -5,-0.2 -1,-0.2 0.892 109.4 49.8 -61.8 -37.0 -12.0 -58.3 1.0 31 33 A V H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.958 117.2 37.6 -63.4 -52.6 -10.9 -57.8 4.6 32 34 A V H X>S+ 0 0 0 -4,-2.2 5,-1.9 1,-0.2 4,-1.9 0.906 111.4 56.0 -74.4 -40.9 -14.3 -56.6 5.9 33 35 A K H <5S+ 0 0 70 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.855 110.1 50.3 -58.7 -33.9 -16.5 -58.9 3.8 34 36 A T H <5S+ 0 0 1 -4,-1.2 -2,-0.2 -5,-0.3 -1,-0.2 0.993 115.4 38.1 -63.6 -63.2 -14.6 -61.9 5.3 35 37 A I H <5S- 0 0 11 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.605 113.8-118.8 -70.3 -10.9 -14.9 -60.9 8.9 36 38 A G T <5 + 0 0 31 -4,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.758 55.9 157.2 85.7 28.4 -18.4 -59.7 8.3 37 39 A L < + 0 0 3 -5,-1.9 -1,-0.2 1,-0.1 3,-0.1 -0.754 18.7 165.5 -98.9 126.1 -18.0 -56.0 9.2 38 40 A R + 0 0 65 -2,-0.5 2,-1.9 1,-0.1 3,-0.3 0.556 61.7 85.1-112.5 -14.7 -20.4 -53.4 7.8 39 41 A E > + 0 0 2 1,-0.2 3,-1.1 2,-0.1 4,-0.2 -0.374 54.1 153.8 -82.9 60.7 -19.5 -50.4 10.1 40 42 A V G > + 0 0 1 -2,-1.9 3,-1.7 1,-0.2 -1,-0.2 0.693 47.8 81.2 -67.1 -23.4 -16.7 -49.6 7.7 41 43 A W G 3 S+ 0 0 26 1,-0.3 -1,-0.2 -3,-0.3 411,-0.2 0.743 88.7 54.1 -58.9 -28.9 -16.6 -45.9 8.6 42 44 A F G < S+ 0 0 1 -3,-1.1 39,-2.4 39,-0.1 40,-2.3 0.668 103.1 74.5 -75.5 -17.7 -14.5 -46.4 11.7 43 45 A F E < +C 80 0A 15 -3,-1.7 2,-0.2 37,-0.3 37,-0.2 -0.625 43.4 157.4-117.9 158.4 -11.7 -48.4 10.0 44 46 A G E -C 79 0A 10 35,-2.4 35,-2.0 -2,-0.2 2,-0.5 -0.885 39.8 -98.8-153.5-176.3 -8.7 -48.3 7.7 45 47 A L E -C 78 0A 2 12,-0.3 12,-2.1 -2,-0.2 33,-0.2 -0.942 31.0-158.5-120.1 107.0 -5.5 -50.1 6.7 46 48 A Q E +CD 77 56A 43 31,-2.5 31,-2.1 -2,-0.5 2,-0.3 -0.597 20.7 162.9 -78.6 146.2 -2.2 -48.8 8.2 47 49 A Y E - D 0 55A 15 8,-2.5 8,-2.6 -2,-0.2 2,-0.5 -0.918 38.1-108.0-147.1 176.5 1.1 -49.6 6.5 48 50 A T E - D 0 54A 48 27,-0.4 21,-3.2 -2,-0.3 6,-0.2 -0.959 31.5-149.4-108.8 128.4 4.8 -48.6 6.4 49 51 A D B > -F 68 0C 13 4,-1.7 3,-2.3 -2,-0.5 19,-0.2 -0.329 37.1 -91.7 -86.3 175.9 6.0 -46.7 3.3 50 52 A S T 3 S+ 0 0 74 17,-0.9 18,-0.1 1,-0.3 -1,-0.1 0.793 127.6 59.2 -61.0 -28.3 9.5 -46.8 1.9 51 53 A K T 3 S- 0 0 160 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.294 119.0-112.1 -80.6 7.0 10.4 -43.8 4.0 52 54 A G S < S+ 0 0 54 -3,-2.3 2,-0.3 1,-0.2 -2,-0.1 0.684 70.5 136.2 75.2 21.7 9.5 -45.9 7.2 53 55 A D - 0 0 33 1,-0.0 -4,-1.7 -4,-0.0 2,-0.2 -0.806 61.3-109.7-105.6 142.8 6.4 -43.9 8.2 54 56 A L E +D 48 0A 106 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.526 48.1 178.0 -67.7 131.4 3.0 -45.2 9.4 55 57 A T E -D 47 0A 7 -8,-2.6 -8,-2.5 -2,-0.2 2,-0.3 -0.991 27.7-128.6-143.0 142.0 0.5 -44.5 6.6 56 58 A W E -D 46 0A 58 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.713 33.4-111.4 -91.4 144.7 -3.2 -45.1 5.9 57 59 A I - 0 0 16 -12,-2.1 2,-0.5 -2,-0.3 -12,-0.3 -0.547 23.4-131.7 -73.9 134.9 -4.2 -46.7 2.6 58 60 A K > - 0 0 40 -2,-0.3 3,-0.9 1,-0.1 -34,-0.5 -0.782 13.7-145.3 -87.8 130.2 -6.2 -44.5 0.2 59 61 A L T 3 S+ 0 0 17 -2,-0.5 -34,-2.6 1,-0.2 -33,-0.3 0.837 90.1 42.6 -66.1 -41.9 -9.3 -46.3 -1.0 60 62 A Y T 3 S+ 0 0 117 -36,-0.2 2,-0.4 -37,-0.1 -1,-0.2 -0.109 98.8 85.8-106.6 36.7 -9.6 -45.1 -4.6 61 63 A K S < S- 0 0 73 -3,-0.9 -37,-2.1 -39,-0.0 -36,-0.1 -0.997 89.9 -97.4-136.4 135.6 -5.9 -45.3 -5.5 62 64 A K B > -E 23 0B 105 -2,-0.4 3,-1.7 -39,-0.2 -39,-0.3 -0.269 29.6-131.9 -54.6 133.1 -4.1 -48.4 -6.8 63 65 A V G > S+ 0 0 1 -41,-2.8 3,-1.8 1,-0.3 5,-0.5 0.895 107.3 54.9 -56.2 -43.3 -2.3 -50.2 -3.9 64 66 A M G 3 S+ 0 0 63 -44,-0.4 3,-0.3 -42,-0.4 -1,-0.3 0.582 102.3 60.0 -67.7 -11.1 0.9 -50.5 -5.9 65 67 A Q G < S+ 0 0 130 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.329 91.3 69.3 -94.2 4.4 0.8 -46.7 -6.4 66 68 A Q S < S- 0 0 15 -3,-1.8 -1,-0.2 -4,-0.1 -2,-0.2 0.429 103.3-118.6-107.1 -0.6 0.9 -45.9 -2.7 67 69 A D - 0 0 65 -3,-0.3 -17,-0.9 -4,-0.2 2,-0.2 0.920 37.0-172.3 66.8 48.4 4.5 -47.0 -2.0 68 70 A V B -F 49 0C 13 -5,-0.5 -19,-0.2 -19,-0.2 -1,-0.2 -0.500 43.3 -88.5 -65.5 138.2 3.9 -49.7 0.5 69 71 A K - 0 0 92 -21,-3.2 2,-0.7 -2,-0.2 6,-0.3 -0.305 52.2-107.1 -50.2 130.0 7.2 -50.9 1.9 70 72 A K + 0 0 182 4,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.518 65.6 131.1 -74.9 108.4 8.4 -53.7 -0.4 71 73 A E - 0 0 68 -2,-0.7 -67,-0.1 -67,-0.1 3,-0.1 -0.915 60.5 -94.9-142.7 169.3 8.0 -57.1 1.2 72 74 A N S S+ 0 0 131 1,-0.3 2,-0.1 -2,-0.3 -67,-0.1 -0.903 117.4 21.8-128.2 103.3 6.6 -60.5 0.5 73 75 A P S S- 0 0 20 0, 0.0 -1,-0.3 0, 0.0 -68,-0.3 0.556 100.0-121.5 -81.0 167.0 3.8 -60.3 1.7 74 76 A L E -b 5 0A 7 -70,-2.7 -68,-3.6 -3,-0.1 2,-0.5 -0.547 32.0-127.4 -67.4 133.8 2.9 -56.7 2.0 75 77 A Q E +b 6 0A 72 -6,-0.3 -27,-0.4 -2,-0.3 2,-0.3 -0.769 34.9 167.3 -98.1 122.4 2.1 -55.9 5.6 76 78 A F E -b 7 0A 4 -70,-2.5 -68,-2.3 -2,-0.5 2,-0.5 -0.956 23.3-151.2-128.6 149.9 -1.1 -54.2 6.6 77 79 A K E -bC 8 46A 93 -31,-2.1 -31,-2.5 -2,-0.3 2,-0.6 -0.984 11.8-146.5-116.5 119.9 -3.0 -53.6 9.9 78 80 A F E + C 0 45A 2 -70,-2.0 2,-0.3 -2,-0.5 -33,-0.2 -0.770 40.9 157.4 -76.6 118.8 -6.8 -53.3 9.9 79 81 A R E - C 0 44A 38 -35,-2.0 -35,-2.4 -2,-0.6 2,-0.5 -0.976 50.3 -96.5-145.0 152.8 -7.4 -50.8 12.7 80 82 A A E - C 0 43A 5 -2,-0.3 -37,-0.3 -37,-0.2 3,-0.1 -0.641 32.5-179.7 -69.8 118.5 -10.0 -48.3 13.9 81 83 A K S S+ 0 0 41 -39,-2.4 2,-0.4 -2,-0.5 -38,-0.2 0.685 71.8 37.9 -89.3 -24.1 -9.0 -44.9 12.5 82 84 A F S S- 0 0 12 -40,-2.3 -1,-0.2 202,-0.1 137,-0.0 -0.993 73.3-145.9-133.3 139.0 -12.0 -43.2 14.1 83 85 A Y - 0 0 33 -2,-0.4 2,-0.1 117,-0.2 3,-0.0 -0.713 23.3-112.1-101.0 149.0 -13.7 -43.7 17.4 84 86 A P - 0 0 3 0, 0.0 3,-0.3 0, 0.0 136,-0.2 -0.396 19.1-128.7 -69.7 157.0 -17.4 -43.4 18.2 85 87 A E S S+ 0 0 14 1,-0.3 2,-0.4 135,-0.1 136,-0.1 0.884 100.7 17.0 -68.9 -46.5 -18.7 -40.6 20.5 86 88 A D >> - 0 0 55 1,-0.1 4,-2.0 -3,-0.0 3,-0.8 -0.884 67.5-162.7-133.8 104.5 -20.6 -43.0 22.7 87 89 A V H 3> S+ 0 0 0 -2,-0.4 4,-1.6 -3,-0.3 -1,-0.1 0.874 89.6 56.6 -48.0 -45.1 -19.7 -46.7 22.4 88 90 A A H 34 S+ 0 0 54 1,-0.2 -1,-0.2 2,-0.2 99,-0.0 0.822 115.8 35.2 -64.1 -34.0 -22.9 -47.8 24.1 89 91 A D H <4 S+ 0 0 120 -3,-0.8 -1,-0.2 1,-0.0 -2,-0.2 0.734 124.4 38.9 -89.0 -26.8 -25.2 -46.0 21.6 90 92 A E H < S+ 0 0 34 -4,-2.0 2,-0.2 -3,-0.1 -3,-0.2 0.906 81.8 88.6 -99.9 -50.3 -23.1 -46.5 18.5 91 93 A L < + 0 0 16 -4,-1.6 3,-0.0 -5,-0.2 96,-0.0 -0.409 47.3 170.6 -65.7 122.7 -21.4 -49.9 18.1 92 94 A I + 0 0 28 -2,-0.2 -1,-0.2 215,-0.0 2,-0.1 0.904 49.2 55.8-103.6 -58.1 -23.9 -52.1 16.3 93 95 A Q S > S- 0 0 33 1,-0.1 4,-1.4 215,-0.0 5,-0.1 -0.442 75.5-127.1 -80.6 156.6 -22.4 -55.4 15.2 94 96 A E H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.882 109.0 55.4 -68.5 -39.1 -20.6 -57.8 17.5 95 97 A I H > S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.870 106.5 49.5 -64.9 -39.2 -17.5 -57.9 15.3 96 98 A T H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.887 111.6 50.0 -65.3 -39.5 -17.1 -54.1 15.4 97 99 A L H X S+ 0 0 11 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.903 110.6 49.9 -62.0 -44.2 -17.4 -54.2 19.2 98 100 A K H X S+ 0 0 52 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.938 109.7 49.2 -64.3 -47.7 -14.8 -57.0 19.5 99 101 A L H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.845 113.9 46.3 -63.8 -36.0 -12.2 -55.2 17.3 100 102 A F H X S+ 0 0 0 -4,-1.7 4,-3.2 2,-0.2 5,-0.3 0.951 111.9 50.3 -67.9 -52.1 -12.6 -51.9 19.3 101 103 A Y H X S+ 0 0 8 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.911 114.8 45.3 -49.4 -44.9 -12.4 -53.7 22.6 102 104 A L H X S+ 0 0 28 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.906 114.7 46.3 -71.4 -40.6 -9.3 -55.4 21.5 103 105 A Q H X S+ 0 0 24 -4,-2.2 4,-1.1 -5,-0.2 -2,-0.2 0.877 117.0 44.0 -67.9 -37.8 -7.6 -52.3 20.0 104 106 A V H X S+ 0 0 0 -4,-3.2 4,-2.2 2,-0.2 -2,-0.2 0.909 111.5 52.0 -76.9 -42.9 -8.4 -50.2 23.0 105 107 A K H X S+ 0 0 48 -4,-2.3 4,-3.0 -5,-0.3 5,-0.2 0.879 108.4 53.8 -53.8 -42.1 -7.4 -52.8 25.6 106 108 A N H X S+ 0 0 55 -4,-1.6 4,-1.8 -5,-0.2 6,-0.2 0.837 107.2 50.2 -64.5 -35.0 -4.1 -53.1 23.7 107 109 A A H <>S+ 0 0 3 -4,-1.1 5,-2.0 2,-0.2 6,-1.5 0.885 113.5 45.8 -69.0 -41.0 -3.6 -49.3 24.0 108 110 A I H ><5S+ 0 0 1 -4,-2.2 3,-0.9 3,-0.2 -2,-0.2 0.928 115.6 45.5 -66.3 -46.0 -4.2 -49.5 27.7 109 111 A L H 3<5S+ 0 0 15 -4,-3.0 44,-0.6 1,-0.2 -2,-0.2 0.821 115.0 47.1 -70.4 -30.5 -2.0 -52.5 28.2 110 112 A S T 3<5S- 0 0 48 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.405 112.5-117.8 -91.8 0.6 0.8 -51.0 26.1 111 113 A D T 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137 A H - 0 0 21 39,-0.3 -1,-0.1 36,-0.1 -2,-0.0 -0.464 35.9-175.7 -61.3 143.5 -15.5 -67.6 36.8 136 138 A N >> - 0 0 71 -2,-0.1 4,-3.8 1,-0.1 3,-1.2 -0.871 22.2-157.6-150.8 110.6 -16.1 -71.1 38.1 137 139 A P T 34 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.727 93.4 62.3 -67.7 -21.2 -14.1 -72.5 41.0 138 140 A A T 34 S+ 0 0 90 1,-0.1 3,-0.1 3,-0.1 0, 0.0 0.842 122.9 17.8 -63.7 -37.1 -14.8 -76.1 39.9 139 141 A V T <4 S+ 0 0 107 -3,-1.2 2,-1.0 1,-0.2 -1,-0.1 0.718 114.5 71.1-111.0 -33.4 -13.1 -75.6 36.5 140 142 A H < - 0 0 23 -4,-3.8 -1,-0.2 5,-0.0 3,-0.1 -0.801 68.0-171.5 -94.8 100.4 -10.9 -72.5 37.1 141 143 A G > - 0 0 43 -2,-1.0 3,-1.3 1,-0.2 4,-0.2 -0.178 39.5 -71.1 -78.2 178.9 -8.0 -73.5 39.4 142 144 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.2 0, 0.0 4,-0.0 -0.459 124.1 28.0 -70.9 146.1 -5.5 -71.1 40.9 143 145 A G T > S+ 0 0 39 21,-0.1 3,-1.5 -2,-0.1 4,-0.2 0.639 77.8 132.5 73.5 14.7 -3.1 -69.8 38.3 144 146 A F G X S+ 0 0 82 -3,-1.3 3,-0.5 1,-0.3 4,-0.1 0.859 73.3 52.6 -61.4 -35.0 -5.8 -70.2 35.6 145 147 A L G > S+ 0 0 3 1,-0.2 3,-1.0 -4,-0.2 -1,-0.3 0.190 73.4 117.7 -86.1 15.2 -4.9 -66.6 34.5 146 148 A A G < S+ 0 0 57 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.815 82.3 37.0 -52.5 -35.3 -1.1 -67.5 34.3 147 149 A N G < S+ 0 0 159 -3,-0.5 -1,-0.3 -4,-0.2 2,-0.2 0.497 92.1 105.5-100.3 -7.2 -1.1 -66.7 30.5 148 150 A D S < S- 0 0 21 -3,-1.0 2,-0.9 -4,-0.1 -20,-0.0 -0.552 72.2-128.5 -73.7 140.2 -3.5 -63.8 30.4 149 151 A R + 0 0 154 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.805 40.5 170.6 -89.2 100.5 -1.9 -60.3 29.9 150 152 A L + 0 0 13 -2,-0.9 -1,-0.2 -5,-0.1 -23,-0.1 0.977 41.7 10.3 -84.8 -63.9 -3.5 -58.5 32.8 151 153 A L S S- 0 0 19 1,-0.1 2,-0.1 -42,-0.0 -1,-0.1 -0.717 77.9 -86.5-122.7 165.2 -2.2 -55.0 33.6 152 154 A P >> - 0 0 1 0, 0.0 4,-1.1 0, 0.0 3,-0.5 -0.463 37.7-119.8 -68.9 147.6 0.0 -52.2 32.2 153 155 A Q H >> S+ 0 0 140 -44,-0.6 4,-2.8 1,-0.2 3,-0.7 0.894 113.7 59.7 -53.1 -46.6 3.7 -52.5 33.0 154 156 A R H 3> S+ 0 0 17 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.916 104.7 50.2 -43.1 -50.4 3.6 -49.1 34.7 155 157 A V H <4 S+ 0 0 0 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.716 113.7 42.9 -71.5 -25.5 1.0 -50.5 37.2 156 158 A T H X< S+ 0 0 51 -4,-1.1 3,-1.2 -3,-0.7 5,-0.3 0.853 109.3 56.8 -85.5 -37.8 2.9 -53.6 38.1 157 159 A D H 3< S+ 0 0 94 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.1 0.718 108.7 48.5 -62.6 -24.0 6.3 -51.8 38.5 158 160 A Q T 3< S+ 0 0 5 -4,-1.1 347,-2.7 -5,-0.2 2,-0.4 0.346 101.8 69.3-104.9 5.7 4.9 -49.4 41.0 159 161 A H B < S-G 504 0D 15 -3,-1.2 2,-1.5 345,-0.2 345,-0.2 -0.958 74.0-134.2-124.2 145.3 3.1 -51.9 43.4 160 162 A K + 0 0 154 343,-2.4 2,-0.4 -2,-0.4 -3,-0.1 -0.596 62.5 129.6 -95.2 70.6 4.7 -54.4 45.7 161 163 A M - 0 0 40 -2,-1.5 -2,-0.1 -5,-0.3 342,-0.0 -0.992 55.5-128.8-132.7 127.7 2.4 -57.2 44.7 162 164 A S > - 0 0 50 -2,-0.4 4,-2.2 1,-0.1 3,-0.3 -0.325 28.6-113.9 -67.0 152.1 3.2 -60.7 43.6 163 165 A R H > S+ 0 0 108 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.941 119.9 57.8 -46.8 -52.0 1.7 -62.0 40.3 164 166 A E H > S+ 0 0 155 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.865 106.0 48.6 -47.7 -46.1 -0.3 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88.0-145.3 178.9 -4.5 -29.0 0.4 462 489 A G E +M 247 0E 49 -2,-0.3 2,-0.3 -215,-0.2 -215,-0.2 -0.516 29.9 177.6 118.1 177.6 -7.9 -28.8 2.2 463 490 A G E -M 246 0E 31 -217,-1.8 -217,-2.6 -2,-0.2 2,-0.1 -0.955 39.1 -15.3 175.5-159.2 -11.3 -27.1 2.0 464 491 A D E -M 245 0E 139 -2,-0.3 2,-0.5 -219,-0.2 -219,-0.3 -0.429 49.3-135.9 -76.3 142.3 -14.8 -26.5 3.4 465 492 A L - 0 0 16 -221,-2.7 -1,-0.1 -2,-0.1 -182,-0.0 -0.857 32.6-103.9 -97.3 129.2 -16.4 -28.8 5.9 466 493 A A - 0 0 82 -2,-0.5 -176,-0.1 1,-0.1 -1,-0.0 -0.256 40.6-125.0 -50.8 124.4 -20.0 -29.7 5.2 467 494 A R - 0 0 155 1,-0.1 3,-0.1 -223,-0.0 -1,-0.1 -0.238 26.4-128.9 -70.0 165.8 -22.2 -27.8 7.6 468 495 A G - 0 0 26 1,-0.2 -1,-0.1 -227,-0.1 -177,-0.0 -0.321 37.9 -46.3-109.1-174.0 -24.7 -29.5 9.9 469 496 A P > - 0 0 31 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 -0.081 43.7-127.6 -49.0 151.6 -28.4 -29.4 11.0 470 497 A D T 3 S+ 0 0 176 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.726 111.4 50.5 -74.4 -23.0 -30.0 -26.1 11.8 471 498 A D T 3 S+ 0 0 127 2,-0.1 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13 -2,-0.3 4,-1.8 1,-0.1 3,-0.9 -0.386 29.4-120.0 -67.8 140.7 -18.8 -39.7 33.1 482 509 A L H 3> S+ 0 0 10 -291,-0.3 4,-2.6 1,-0.3 8,-0.3 0.774 114.8 58.5 -48.1 -30.6 -20.0 -43.3 33.8 483 510 A A H 34 S+ 0 0 26 2,-0.2 7,-0.5 1,-0.2 -1,-0.3 0.910 106.5 44.0 -67.7 -44.4 -18.4 -42.9 37.3 484 511 A E H <4 S+ 0 0 72 -3,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.747 120.3 42.7 -77.8 -21.3 -20.4 -39.8 38.3 485 512 A R H < S+ 0 0 146 -4,-1.8 2,-0.7 1,-0.2 -2,-0.2 0.888 107.3 61.2 -84.0 -46.6 -23.7 -41.4 37.0 486 513 A N X - 0 0 58 -4,-2.6 4,-2.1 -5,-0.2 5,-0.2 -0.768 59.0-165.9 -96.0 115.1 -23.3 -45.0 38.3 487 514 A E H > S+ 0 0 155 -2,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.882 90.4 55.7 -61.5 -41.9 -23.1 -45.4 42.1 488 515 A R H > S+ 0 0 103 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.955 108.9 46.0 -55.6 -52.6 -21.8 -49.0 41.7 489 516 A L H >> S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 3,-0.7 0.957 111.0 51.8 -58.2 -56.2 -18.9 -48.0 39.5 490 517 A H H 3X S+ 0 0 102 -4,-2.1 4,-2.0 -7,-0.5 -1,-0.2 0.871 110.8 49.8 -43.5 -47.4 -17.9 -45.1 41.7 491 518 A N H 3X S+ 0 0 78 -4,-2.1 4,-2.4 2,-0.2 -1,-0.3 0.824 108.7 51.2 -65.9 -35.0 -17.9 -47.4 44.7 492 519 A Q H X S+ 0 0 29 -4,-2.4 4,-1.8 1,-0.2 3,-0.5 0.972 113.2 49.0 -57.4 -56.4 -12.7 -49.8 46.9 496 523 A L H 3X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.3 5,-0.3 0.823 105.7 56.7 -56.3 -39.5 -9.8 -50.5 44.5 497 524 A K H 3X S+ 0 0 87 -4,-2.7 4,-1.4 1,-0.2 -1,-0.3 0.909 108.8 48.6 -58.7 -40.5 -8.1 -47.2 45.4 498 525 A Q H < S+ 0 0 64 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.939 115.1 47.1 -74.0 -48.8 -6.7 -51.8 48.3 500 527 A L H >< S+ 0 0 9 -4,-2.8 3,-1.3 1,-0.2 4,-0.2 0.791 103.7 64.6 -64.1 -28.4 -4.0 -50.7 45.8 501 528 A A H >< S+ 0 0 59 -4,-1.4 3,-1.4 -5,-0.3 -1,-0.2 0.860 90.0 65.3 -64.8 -35.4 -2.8 -47.9 48.1 502 529 A R T << S+ 0 0 205 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.472 113.7 31.4 -72.9 0.0 -1.7 -50.3 50.8 503 530 A S T < S+ 0 0 12 -3,-1.3 -343,-2.4 -4,-0.2 2,-0.4 0.188 89.1 130.1-132.8 16.0 1.0 -51.7 48.4 504 531 A C B < -G 159 0D 14 -3,-1.4 2,-1.1 -345,-0.2 -345,-0.2 -0.581 50.3-146.1 -81.0 124.8 1.8 -48.5 46.4 505 532 A D > - 0 0 44 -347,-2.7 3,-3.1 -2,-0.4 4,-0.1 -0.732 9.6-161.8 -89.3 94.7 5.5 -47.5 46.0 506 533 A E G > S+ 0 0 142 -2,-1.1 3,-1.1 1,-0.3 -1,-0.2 0.681 85.0 66.4 -53.0 -24.4 5.2 -43.7 46.0 507 534 A T G 3 S+ 0 0 116 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.666 96.8 56.1 -70.7 -17.1 8.7 -43.4 44.5 508 535 A K G < S+ 0 0 110 -3,-3.1 2,-0.5 -350,-0.2 -1,-0.2 0.129 73.1 130.6-102.7 17.7 7.4 -45.0 41.3 509 536 A E < - 0 0 47 -3,-1.1 -3,-0.0 -4,-0.1 5,-0.0 -0.629 51.5-141.3 -73.2 117.8 4.6 -42.5 40.7 510 537 A T > - 0 0 49 -2,-0.5 4,-1.4 1,-0.1 5,-0.1 -0.246 23.4-103.6 -76.7 169.8 4.8 -41.3 37.0 511 538 A A H > S+ 0 0 74 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.907 123.5 50.3 -59.8 -42.6 4.3 -37.8 35.8 512 539 A M H > S+ 0 0 52 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.835 103.4 60.0 -68.3 -31.6 0.8 -38.7 34.5 513 540 A D H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.905 108.2 45.7 -56.4 -41.5 -0.1 -40.3 37.8 514 541 A K H X S+ 0 0 132 -4,-1.4 4,-2.1 -3,-0.3 -2,-0.2 0.905 112.3 49.0 -71.4 -44.1 0.5 -36.9 39.5 515 542 A I H X S+ 0 0 32 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.906 112.6 49.4 -60.3 -44.3 -1.5 -35.0 36.9 516 543 A H H X S+ 0 0 25 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.929 110.6 47.5 -61.9 -50.3 -4.4 -37.4 37.1 517 544 A R H X S+ 0 0 107 -4,-2.1 4,-3.4 1,-0.2 -1,-0.2 0.901 110.1 54.5 -62.3 -38.6 -4.6 -37.3 40.9 518 545 A E H X S+ 0 0 69 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.952 109.9 46.4 -55.9 -50.3 -4.5 -33.6 40.8 519 546 A N H <>S+ 0 0 9 -4,-2.2 5,-2.8 2,-0.2 -2,-0.2 0.920 114.3 47.0 -59.1 -45.5 -7.4 -33.5 38.4 520 547 A V H ><5S+ 0 0 59 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.941 111.4 52.4 -62.8 -47.5 -9.4 -36.0 40.5 521 548 A R H 3<5S+ 0 0 198 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.846 109.7 49.2 -51.3 -40.5 -8.5 -34.0 43.6 522 549 A Q T 3<5S- 0 0 96 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.346 118.0-110.1 -87.8 6.8 -9.8 -30.8 41.9 523 550 A G T < 5 + 0 0 47 -3,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.746 68.5 147.9 70.3 25.8 -13.1 -32.5 40.9 524 551 A R < + 0 0 80 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.532 19.6 172.1 -87.9 155.7 -12.2 -32.5 37.2 525 552 A D > - 0 0 23 -2,-0.2 4,-2.7 1,-0.0 5,-0.4 -0.966 49.1 -89.5-156.4 165.6 -13.2 -35.0 34.6 526 553 A K H > S+ 0 0 24 -331,-0.5 4,-0.9 -2,-0.3 -330,-0.1 0.800 124.6 36.0 -45.9 -40.0 -13.0 -35.5 30.8 527 554 A Y H > S+ 0 0 2 2,-0.2 4,-3.1 3,-0.2 -1,-0.2 0.873 114.0 53.1 -90.4 -40.1 -16.4 -33.7 30.2 528 555 A K H > S+ 0 0 82 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.958 112.4 48.3 -51.5 -52.6 -16.3 -31.0 32.9 529 556 A T H X S+ 0 0 9 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.808 111.9 49.4 -61.0 -34.0 -12.9 -30.0 31.6 530 557 A L H X S+ 0 0 4 -4,-0.9 4,-0.9 -5,-0.4 -1,-0.2 0.938 111.1 48.5 -69.7 -48.0 -14.2 -30.0 28.0 531 558 A R H >< S+ 0 0 53 -4,-3.1 3,-0.8 1,-0.2 4,-0.5 0.945 114.6 47.9 -52.2 -50.1 -17.2 -27.9 29.0 532 559 A E H >< S+ 0 0 103 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.937 109.7 48.5 -58.8 -54.5 -14.9 -25.5 30.8 533 560 A I H 3< S+ 0 0 18 -4,-2.3 -296,-1.6 1,-0.3 -1,-0.2 0.536 108.7 56.4 -72.9 -4.6 -12.3 -25.0 28.0 534 561 A R T << S+ 0 0 23 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.512 80.2 118.9 -97.2 -9.3 -15.0 -24.4 25.5 535 562 A K < + 0 0 132 -3,-1.8 2,-0.2 -4,-0.5 -298,-0.1 -0.283 58.8 34.2 -63.0 143.5 -16.5 -21.4 27.4 536 563 A G S S- 0 0 37 4,-0.1 2,-0.2 5,-0.0 0, 0.0 -0.479 100.2 -59.5 102.1 179.7 -16.5 -18.1 25.7 537 564 A N > - 0 0 92 -2,-0.2 4,-1.7 1,-0.1 5,-0.2 -0.490 54.0 -96.2 -92.8 169.2 -16.9 -17.4 22.0 538 565 A T H > S+ 0 0 14 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.847 123.7 53.2 -54.2 -37.6 -14.7 -18.6 19.2 539 566 A K H > S+ 0 0 102 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.949 104.3 54.4 -64.3 -49.6 -12.7 -15.4 19.2 540 567 A R H > S+ 0 0 124 1,-0.2 4,-2.5 2,-0.2 3,-0.2 0.915 113.4 41.6 -47.2 -51.3 -11.9 -15.5 22.9 541 568 A R H X S+ 0 0 2 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.790 109.1 57.0 -76.3 -30.7 -10.4 -19.0 22.7 542 569 A V H X S+ 0 0 2 -4,-1.8 4,-1.0 -5,-0.2 -1,-0.2 0.796 110.8 47.7 -66.6 -28.2 -8.6 -18.3 19.4 543 570 A D H >X S+ 0 0 64 -4,-1.9 4,-2.1 -3,-0.2 3,-0.9 0.965 106.4 55.4 -71.0 -55.7 -6.9 -15.4 21.4 544 571 A Q H 3X S+ 0 0 77 -4,-2.5 4,-1.2 1,-0.3 -2,-0.2 0.836 108.0 51.0 -43.9 -43.6 -6.2 -17.6 24.4 545 572 A F H 3< S+ 0 0 0 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.868 108.3 49.3 -63.8 -42.5 -4.3 -20.0 22.1 546 573 A E H << S+ 0 0 36 -4,-1.0 -336,-0.4 -3,-0.9 -2,-0.2 0.864 111.0 50.5 -69.0 -35.8 -2.1 -17.3 20.5 547 574 A N H < 0 0 115 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.729 360.0 360.0 -75.0 -25.0 -1.1 -15.8 23.9 548 575 A M < 0 0 55 -4,-1.2 -336,-0.4 -5,-0.3 -340,-0.1 -0.338 360.0 360.0 -59.0 360.0 -0.1 -19.3 25.2