==== 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 METAL BINDING PROTEIN 15-MAY-09 3HH8 . COMPND 2 MOLECULE: METAL ABC TRANSPORTER SUBSTRATE-BINDING LIPOPROTE . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES SEROTYPE M1; . AUTHOR E.N.BAKER,H.M.BAKER,X.SUN,Q.-Y.YE . 280 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13254.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 13 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 0 1 1 1 1 1 0 1 0 0 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 2 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 30 A S 0 0 133 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 38.8 12.7 -6.4 -7.7 2 31 A D + 0 0 150 2,-0.1 2,-0.1 23,-0.0 3,-0.1 0.576 360.0 101.4 -99.8 -12.3 8.9 -6.1 -7.2 3 32 A K S S- 0 0 81 1,-0.1 22,-0.2 22,-0.1 2,-0.1 -0.464 84.9-100.2 -68.0 144.0 8.3 -6.3 -3.5 4 33 A L E -a 25 0A 13 20,-0.6 22,-3.0 -2,-0.1 2,-0.6 -0.473 34.8-133.5 -61.5 134.5 7.6 -3.0 -1.8 5 34 A K E -a 26 0A 81 20,-0.2 49,-3.1 47,-0.1 50,-1.7 -0.861 29.6-177.9 -98.4 121.5 10.8 -1.8 -0.0 6 35 A V E -ab 27 55A 2 20,-3.0 22,-2.2 -2,-0.6 2,-0.4 -0.959 14.1-163.9-126.4 136.3 10.1 -0.7 3.5 7 36 A V E -ab 28 56A 2 48,-2.2 50,-3.2 -2,-0.4 2,-0.4 -0.982 4.4-169.5-121.0 133.2 12.4 0.8 6.1 8 37 A A E -ab 29 57A 0 20,-2.7 22,-2.5 -2,-0.4 50,-0.2 -0.949 22.6-136.7-115.9 143.9 11.4 1.1 9.8 9 38 A T S S+ 0 0 0 48,-2.0 22,-2.5 -2,-0.4 2,-0.3 0.852 80.8 10.5 -70.5 -29.9 13.5 3.1 12.3 10 39 A N S > S- 0 0 3 20,-0.2 4,-2.5 47,-0.2 5,-0.2 -0.911 79.6 -98.0-146.8 172.4 13.4 0.5 15.1 11 40 A S H > S+ 0 0 8 20,-0.4 4,-2.1 -2,-0.3 252,-0.2 0.752 116.0 55.5 -66.4 -27.3 12.5 -3.1 16.0 12 41 A I H > S+ 0 0 1 239,-0.3 4,-2.5 2,-0.2 251,-0.2 0.968 113.8 39.0 -69.3 -54.1 9.1 -2.3 17.5 13 42 A I H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.905 116.3 53.1 -60.8 -39.6 7.9 -0.5 14.4 14 43 A A H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.916 109.3 49.6 -64.3 -39.4 9.5 -3.1 12.1 15 44 A D H X S+ 0 0 24 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.918 110.0 49.0 -66.7 -44.4 7.7 -5.9 14.1 16 45 A M H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.928 111.5 51.3 -56.5 -44.0 4.4 -4.2 13.8 17 46 A T H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.912 108.9 50.1 -59.3 -45.1 5.1 -3.8 10.1 18 47 A K H X S+ 0 0 125 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.873 105.7 57.4 -60.3 -37.6 5.9 -7.5 9.8 19 48 A A H < S+ 0 0 32 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.863 115.9 35.9 -63.9 -33.6 2.7 -8.4 11.6 20 49 A I H < S+ 0 0 0 -4,-1.6 123,-0.3 -3,-0.2 124,-0.2 0.876 129.0 30.5 -83.4 -39.0 0.7 -6.5 8.9 21 50 A A H >< S- 0 0 0 -4,-3.0 3,-2.1 1,-0.2 -3,-0.2 0.693 75.5-178.4-100.6 -23.6 2.8 -7.3 5.8 22 51 A G G >< S- 0 0 42 -4,-2.5 3,-0.8 -5,-0.3 -1,-0.2 -0.245 74.5 -22.1 50.1-135.7 4.3 -10.8 6.4 23 52 A D G 3 S+ 0 0 121 1,-0.2 -1,-0.2 3,-0.1 -5,-0.0 0.275 115.0 96.4 -88.6 13.4 6.4 -11.8 3.4 24 53 A K G < S+ 0 0 74 -3,-2.1 -20,-0.6 112,-0.1 2,-0.2 0.718 85.4 45.2 -73.0 -19.4 4.7 -9.4 1.0 25 54 A I E < S-a 4 0A 9 -3,-0.8 2,-0.6 -22,-0.2 -20,-0.2 -0.749 78.1-120.4-122.8 165.2 7.5 -6.8 1.5 26 55 A D E -a 5 0A 80 -22,-3.0 -20,-3.0 -2,-0.2 2,-0.4 -0.952 42.9-168.3-102.9 110.8 11.2 -6.3 1.7 27 56 A L E -a 6 0A 49 -2,-0.6 2,-0.4 -22,-0.2 -20,-0.2 -0.888 16.6-175.9-114.0 132.1 11.7 -4.9 5.2 28 57 A H E -a 7 0A 27 -22,-2.2 -20,-2.7 -2,-0.4 2,-0.5 -0.989 9.3-159.0-122.5 130.5 14.8 -3.3 6.8 29 58 A S E -a 8 0A 40 -2,-0.4 -20,-0.2 -22,-0.2 -18,-0.1 -0.943 2.8-161.4-110.2 131.4 15.0 -2.1 10.4 30 59 A I + 0 0 4 -22,-2.5 -20,-0.2 -2,-0.5 -21,-0.2 0.979 67.8 64.1 -79.6 -60.3 17.6 0.4 11.3 31 60 A V S S- 0 0 4 -22,-2.5 -20,-0.4 -23,-0.2 3,-0.1 -0.564 87.4-121.6 -75.2 123.8 18.2 0.4 15.1 32 61 A P > - 0 0 54 0, 0.0 3,-2.1 0, 0.0 -21,-0.1 -0.288 37.9 -84.5 -61.7 148.0 19.6 -2.9 16.2 33 62 A I T 3 S+ 0 0 72 1,-0.2 3,-0.1 -23,-0.1 221,-0.1 -0.238 116.9 18.9 -48.4 131.8 17.7 -4.9 18.8 34 63 A G T 3 S+ 0 0 22 219,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.425 100.4 117.3 83.4 -0.1 18.7 -3.8 22.3 35 64 A Q S < S- 0 0 103 -3,-2.1 -1,-0.3 216,-0.1 193,-0.1 -0.690 75.9 -97.9 -98.4 151.9 20.1 -0.4 21.2 36 65 A D - 0 0 35 -2,-0.3 3,-0.2 3,-0.1 216,-0.1 -0.537 28.6-165.3 -63.2 121.2 18.8 3.0 22.0 37 66 A P S S+ 0 0 0 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.480 78.1 74.7 -89.0 -1.8 16.5 4.3 19.2 38 67 A H S S+ 0 0 12 1,-0.3 32,-0.4 32,-0.1 2,-0.4 0.863 112.4 15.9 -74.5 -38.1 16.6 7.9 20.4 39 68 A E S S+ 0 0 83 -3,-0.2 2,-0.3 30,-0.1 -1,-0.3 -0.936 79.5 150.3-141.7 112.5 20.2 8.5 19.2 40 69 A Y - 0 0 35 -2,-0.4 -9,-0.1 -3,-0.2 30,-0.0 -0.970 41.0-131.8-140.2 149.3 21.8 6.1 16.7 41 70 A E - 0 0 166 -2,-0.3 -2,-0.0 29,-0.0 29,-0.0 -0.911 32.4-131.6-106.7 105.6 24.4 6.5 14.0 42 71 A P - 0 0 37 0, 0.0 -11,-0.0 0, 0.0 -12,-0.0 -0.139 18.6-129.2 -52.7 144.9 23.1 4.8 10.8 43 72 A L > - 0 0 94 -13,-0.1 4,-1.9 1,-0.1 3,-0.4 -0.458 30.7 -96.7 -88.6 166.7 25.5 2.5 9.1 44 73 A P H > S+ 0 0 114 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.913 127.4 54.6 -49.7 -42.0 26.3 2.6 5.3 45 74 A E H > S+ 0 0 110 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.895 104.9 54.1 -58.1 -39.8 23.6 -0.1 4.8 46 75 A D H > S+ 0 0 5 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.920 109.0 46.3 -62.5 -44.4 21.0 2.0 6.6 47 76 A A H X S+ 0 0 50 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.899 113.8 49.4 -65.5 -41.4 21.6 5.1 4.3 48 77 A E H X S+ 0 0 126 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.951 112.6 46.8 -60.6 -50.0 21.5 2.8 1.2 49 78 A K H X S+ 0 0 92 -4,-2.9 4,-0.7 1,-0.2 -2,-0.2 0.880 112.7 50.3 -59.4 -40.6 18.2 1.1 2.3 50 79 A T H >< S+ 0 0 0 -4,-2.2 3,-0.9 -5,-0.2 -1,-0.2 0.937 109.7 49.5 -66.3 -46.3 16.6 4.4 3.1 51 80 A S H 3< S+ 0 0 60 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.881 117.2 41.7 -59.7 -39.6 17.5 6.0 -0.2 52 81 A N H 3< S+ 0 0 89 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.438 91.7 117.2 -87.8 -4.0 16.1 2.9 -2.1 53 82 A A << - 0 0 7 -3,-0.9 -47,-0.2 -4,-0.7 3,-0.1 -0.283 53.4-156.4 -65.8 149.3 13.0 2.6 0.2 54 83 A D S S+ 0 0 62 -49,-3.1 2,-0.3 1,-0.4 -48,-0.2 0.764 85.9 11.1 -86.1 -34.6 9.4 2.9 -1.2 55 84 A V E -b 6 0A 0 -50,-1.7 -48,-2.2 2,-0.0 2,-0.4 -0.997 66.4-159.4-146.9 143.0 8.1 3.8 2.3 56 85 A I E -bc 7 86A 0 29,-2.4 31,-2.6 -2,-0.3 2,-0.5 -0.992 6.9-159.4-127.9 130.1 9.8 4.6 5.5 57 86 A F E +bc 8 87A 0 -50,-3.2 -48,-2.0 -2,-0.4 2,-0.3 -0.932 16.1 168.2-113.0 134.0 8.1 4.4 9.0 58 87 A Y E - c 0 88A 12 29,-2.4 31,-2.6 -2,-0.5 32,-0.4 -0.905 39.5-121.6-136.9 164.7 9.4 6.2 12.0 59 88 A N - 0 0 1 -2,-0.3 31,-1.2 29,-0.2 2,-0.2 0.948 41.0-175.9 -71.2 -47.6 8.0 6.8 15.4 60 89 A G > + 0 0 1 28,-0.1 3,-1.2 29,-0.1 4,-0.2 -0.479 46.2 99.2 75.3-155.3 7.9 10.6 15.4 61 90 A I T 3 S- 0 0 21 1,-0.2 50,-0.1 -2,-0.2 -1,-0.1 0.805 119.3 -51.9 39.8 47.7 6.9 12.5 18.6 62 91 A N T 3 S+ 0 0 36 46,-0.1 -1,-0.2 47,-0.1 -24,-0.0 0.789 111.4 111.9 67.7 29.9 10.5 13.2 19.7 63 92 A L S < S- 0 0 5 -3,-1.2 -2,-0.1 46,-0.1 47,-0.0 0.884 104.8 -20.2 -83.9 -63.5 11.8 9.7 19.5 64 93 A E S S+ 0 0 0 -4,-0.2 7,-1.7 5,-0.1 8,-0.8 0.293 126.0 76.5-127.3 5.9 14.2 10.0 16.6 65 94 A D + 0 0 44 6,-0.2 -4,-0.1 -5,-0.1 -27,-0.0 0.234 51.1 133.1-118.6 12.5 12.9 13.1 14.8 66 95 A G S > S- 0 0 22 1,-0.1 3,-1.8 -6,-0.1 6,-0.3 -0.109 75.7 -96.4 -50.9 162.8 14.0 16.2 16.8 67 96 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.1 5,-0.1 38,-0.0 0.759 128.2 32.3 -56.0 -28.3 15.5 19.0 14.7 68 97 A Q T 3 S+ 0 0 162 4,-0.0 -1,-0.3 5,-0.0 2,-0.1 0.160 98.7 119.8-110.3 12.6 19.0 17.7 15.5 69 98 A A S <> S- 0 0 13 -3,-1.8 4,-1.7 1,-0.1 5,-0.2 -0.358 73.0-109.6 -91.6 166.2 18.1 14.0 15.7 70 99 A W H > S+ 0 0 7 -32,-0.4 4,-2.2 1,-0.2 -5,-0.1 0.831 111.6 49.6 -66.7 -37.6 19.5 11.2 13.7 71 100 A F H > S+ 0 0 1 -7,-1.7 4,-2.7 2,-0.2 5,-0.3 0.881 106.7 56.9 -72.6 -37.8 16.4 10.3 11.5 72 101 A T H > S+ 0 0 45 -8,-0.8 4,-1.7 -6,-0.3 -1,-0.2 0.931 111.0 43.3 -56.0 -48.3 15.9 13.9 10.5 73 102 A K H X S+ 0 0 98 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.904 111.8 57.0 -63.0 -41.7 19.5 14.0 9.1 74 103 A L H X S+ 0 0 14 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.934 111.4 38.0 -56.0 -54.0 19.0 10.6 7.5 75 104 A V H <>S+ 0 0 3 -4,-2.7 5,-2.7 2,-0.2 4,-0.3 0.801 114.1 57.5 -74.1 -26.3 15.9 11.5 5.4 76 105 A K H ><5S+ 0 0 149 -4,-1.7 3,-1.1 -5,-0.3 -2,-0.2 0.932 109.6 44.0 -62.7 -48.6 17.4 14.9 4.7 77 106 A N H 3<5S+ 0 0 114 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.725 112.5 53.3 -67.1 -24.8 20.5 13.3 3.2 78 107 A A T 3<5S- 0 0 16 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.407 108.7-126.4 -91.9 -1.1 18.2 10.8 1.4 79 108 A Q T < 5 + 0 0 160 -3,-1.1 2,-0.2 -4,-0.3 -3,-0.2 0.860 53.4 159.2 59.3 41.5 16.2 13.6 -0.2 80 109 A K < - 0 0 41 -5,-2.7 2,-0.4 -6,-0.1 -1,-0.2 -0.606 35.3-128.7 -98.0 156.9 12.9 12.1 1.1 81 110 A T >>> - 0 0 77 -2,-0.2 4,-2.9 1,-0.0 3,-1.9 -0.890 21.1-114.3-111.5 133.3 9.6 13.9 1.6 82 111 A K B 345S+d 86 0A 77 -2,-0.4 5,-0.2 1,-0.3 -1,-0.0 -0.387 101.7 7.8 -60.9 130.7 7.4 13.9 4.7 83 112 A N T 345S+ 0 0 89 3,-3.0 -1,-0.3 1,-0.1 4,-0.1 0.587 128.6 60.6 67.1 14.7 4.1 12.1 4.1 84 113 A K T <45S+ 0 0 122 -3,-1.9 -2,-0.2 2,-0.3 -1,-0.1 0.521 126.7 4.2-122.9 -51.1 5.1 10.9 0.7 85 114 A D T <5S+ 0 0 21 -4,-2.9 -29,-2.4 1,-0.2 2,-0.4 0.782 131.5 42.0-102.0 -42.0 8.2 8.8 1.5 86 115 A Y E < -cd 56 82A 43 -5,-1.6 -3,-3.0 -31,-0.2 2,-0.4 -0.926 62.7-171.3-121.6 141.1 8.3 8.8 5.3 87 116 A F E -c 57 0A 15 -31,-2.6 -29,-2.4 -2,-0.4 2,-0.7 -0.984 23.2-133.1-136.1 131.7 5.4 8.5 7.8 88 117 A A E > -c 58 0A 4 -2,-0.4 3,-1.6 -31,-0.2 -29,-0.2 -0.793 14.5-156.4 -85.2 118.1 5.2 8.9 11.6 89 118 A V T 3 S+ 0 0 0 -31,-2.6 35,-0.3 -2,-0.7 -30,-0.2 0.654 88.1 68.0 -75.6 -13.5 3.2 5.9 12.8 90 119 A S T > + 0 0 3 -31,-1.2 3,-2.1 -32,-0.4 -1,-0.3 0.436 68.4 130.2 -79.9 -3.3 2.2 7.9 15.9 91 120 A D T < S+ 0 0 75 -3,-1.6 3,-0.1 1,-0.3 33,-0.1 -0.324 72.6 21.7 -56.6 124.2 0.0 10.2 13.9 92 121 A G T 3 S+ 0 0 70 1,-0.3 -1,-0.3 -2,-0.1 -2,-0.1 0.250 90.7 123.1 105.2 -15.6 -3.4 10.4 15.5 93 122 A I S < S- 0 0 12 -3,-2.1 2,-0.8 1,-0.1 -1,-0.3 -0.330 75.3-101.4 -70.7 163.3 -2.5 9.3 19.1 94 123 A D - 0 0 148 -3,-0.1 2,-0.2 17,-0.1 -1,-0.1 -0.806 48.8-134.2 -81.4 112.5 -3.3 11.5 22.1 95 124 A V - 0 0 53 -2,-0.8 2,-0.4 12,-0.0 -34,-0.0 -0.493 16.3-157.6 -76.2 138.2 0.2 12.9 22.7 96 125 A I - 0 0 41 12,-0.5 12,-2.9 -2,-0.2 2,-0.2 -0.937 16.3-144.9-110.1 136.5 1.7 13.1 26.2 97 126 A Y B -E 107 0B 73 -2,-0.4 10,-0.3 10,-0.3 3,-0.2 -0.570 27.5 -86.8 -96.6 164.1 4.5 15.7 26.7 98 127 A L S > S- 0 0 24 8,-2.7 3,-2.4 -2,-0.2 -1,-0.2 -0.255 74.5 -64.2 -60.1 157.4 7.6 15.6 28.8 99 128 A E T 3 S+ 0 0 117 1,-0.3 -1,-0.2 96,-0.1 3,-0.1 -0.156 122.0 3.1 -56.5 130.8 6.9 16.8 32.4 100 129 A G T 3 S+ 0 0 93 1,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.364 109.8 109.6 80.3 -6.1 5.9 20.4 32.6 101 130 A A < + 0 0 30 -3,-2.4 -4,-0.2 5,-0.1 -1,-0.2 -0.616 32.7 166.4-105.1 162.3 6.0 20.8 28.8 102 131 A S + 0 0 99 -2,-0.2 2,-0.2 -3,-0.1 -1,-0.1 0.328 46.5 106.4-146.0 -1.7 3.2 21.3 26.2 103 132 A E S > S- 0 0 109 1,-0.1 3,-2.3 3,-0.1 -2,-0.0 -0.528 77.3 -93.9 -96.8 153.8 5.0 22.5 23.1 104 133 A K T 3 S+ 0 0 190 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.287 113.6 36.7 -56.5 139.5 5.8 20.7 19.8 105 134 A G T 3 S+ 0 0 45 -3,-0.1 -1,-0.3 -39,-0.0 -38,-0.1 0.116 102.7 76.6 98.1 -19.2 9.3 19.2 20.0 106 135 A K < + 0 0 95 -3,-2.3 -8,-2.7 2,-0.1 -5,-0.1 -0.067 63.7 138.4-116.9 33.0 8.9 18.3 23.7 107 136 A E B -E 97 0B 18 -10,-0.3 -10,-0.3 -5,-0.1 -5,-0.0 -0.323 58.4-122.3 -65.8 151.2 6.7 15.2 23.3 108 137 A D - 0 0 0 -12,-2.9 -12,-0.5 -10,-0.1 -45,-0.1 -0.932 26.0-158.3 -89.0 125.5 7.2 12.0 25.3 109 138 A P + 0 0 0 0, 0.0 2,-2.2 0, 0.0 3,-0.4 0.577 63.3 98.5 -81.5 -10.9 7.7 9.5 22.4 110 139 A H > + 0 0 0 1,-0.2 3,-1.3 2,-0.1 71,-0.3 -0.156 37.6 133.4 -84.9 47.0 6.9 6.3 24.3 111 140 A A G > + 0 0 0 -2,-2.2 3,-1.8 1,-0.3 6,-0.3 0.774 55.7 72.6 -68.0 -27.1 3.3 6.0 23.1 112 141 A W G 3 S+ 0 0 2 -3,-0.4 -1,-0.3 1,-0.3 6,-0.2 0.586 77.0 79.2 -72.9 -11.1 3.4 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152 A K H X S+ 0 0 106 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.906 110.9 49.6 -63.2 -41.7 -3.5 1.1 11.4 124 153 A N H X S+ 0 0 31 -4,-2.5 4,-1.7 -35,-0.3 -2,-0.2 0.900 111.4 48.5 -62.7 -41.9 -1.2 3.9 10.1 125 154 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.951 112.5 47.6 -61.5 -49.9 1.3 1.3 8.8 126 155 A A H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.887 106.3 59.3 -60.4 -41.9 -1.4 -0.7 7.1 127 156 A K H X S+ 0 0 132 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.919 111.9 39.1 -52.6 -48.2 -2.9 2.6 5.6 128 157 A Q H X S+ 0 0 32 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.850 112.1 55.3 -77.9 -33.3 0.5 3.3 3.8 129 158 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.938 112.7 44.1 -59.8 -42.5 1.2 -0.3 2.8 130 159 A I H < S+ 0 0 34 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.894 113.4 51.4 -68.4 -38.3 -2.2 -0.4 1.1 131 160 A A H < S+ 0 0 68 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.915 120.2 33.6 -64.9 -40.9 -1.7 3.0 -0.5 132 161 A K H < S+ 0 0 74 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.688 130.6 31.3 -89.5 -21.8 1.7 2.1 -1.9 133 162 A D >< + 0 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113.8 45.4 -61.2 -40.3 0.8 4.7 33.6 184 213 A K H <5S+ 0 0 172 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.932 118.2 41.6 -67.1 -47.1 -2.0 6.7 32.1 185 214 A A H <5S+ 0 0 30 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.884 126.4 30.5 -70.5 -38.7 -3.7 3.8 30.3 186 215 A Y H <5S- 0 0 17 -4,-3.0 -24,-0.2 -5,-0.2 -1,-0.2 0.393 100.3-116.7-114.8 3.3 -3.3 1.2 33.0 187 216 A G T <5S+ 0 0 44 -4,-1.4 -3,-0.1 -5,-0.2 -4,-0.1 0.802 71.2 124.9 72.1 29.7 -3.4 3.1 36.4 188 217 A V < - 0 0 0 -5,-0.6 -1,-0.2 -6,-0.3 -2,-0.1 -0.919 54.7-137.9-122.0 109.5 0.1 2.2 37.6 189 218 A P - 0 0 68 0, 0.0 -17,-2.7 0, 0.0 2,-0.3 -0.145 21.2-153.7 -60.4 155.9 2.2 5.3 38.5 190 219 A S E -f 172 0C 30 -19,-0.2 2,-0.3 -13,-0.0 -17,-0.2 -0.876 13.1-169.5-133.5 158.8 5.9 5.2 37.3 191 220 A A E -f 173 0C 3 -19,-2.6 -17,-1.8 -2,-0.3 2,-0.3 -0.931 11.9-175.3-143.8 164.6 9.2 6.8 38.5 192 221 A Y E -f 174 0C 57 -2,-0.3 -17,-0.2 -19,-0.2 -16,-0.2 -0.922 36.6-123.7-153.7 170.8 12.6 6.9 36.8 193 222 A I E S+ 0 0 5 -18,-2.2 2,-0.4 -19,-0.6 -17,-0.2 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46.2-113.8 -69.0 151.0 24.0 11.7 37.7 204 233 A P H > S+ 0 0 109 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.871 117.3 56.2 -56.3 -38.3 24.3 11.2 41.4 205 234 A D H > S+ 0 0 115 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.870 105.7 49.4 -65.3 -38.1 21.4 13.6 41.9 206 235 A Q H > S+ 0 0 43 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.898 113.2 47.4 -63.5 -42.9 19.0 11.7 39.7 207 236 A I H X S+ 0 0 18 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.929 112.6 49.0 -65.6 -42.6 19.9 8.5 41.5 208 237 A S H X S+ 0 0 55 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.876 108.4 53.8 -65.2 -39.9 19.4 10.2 44.9 209 238 A S H X S+ 0 0 68 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.913 111.6 45.4 -59.7 -43.3 16.1 11.7 43.9 210 239 A L H X S+ 0 0 4 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.939 111.2 52.3 -66.9 -46.8 14.8 8.3 42.9 211 240 A I H X S+ 0 0 15 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.907 109.8 50.1 -54.7 -42.8 16.2 6.7 46.2 212 241 A E H >X S+ 0 0 97 -4,-2.5 3,-1.1 1,-0.2 4,-0.7 0.938 111.0 48.6 -65.2 -45.1 14.4 9.4 48.2 213 242 A K H >X S+ 0 0 96 -4,-2.2 4,-2.1 1,-0.3 3,-1.4 0.891 103.7 60.3 -59.0 -41.8 11.1 8.7 46.4 214 243 A L H 3< S+ 0 0 4 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.686 98.4 60.1 -63.1 -20.4 11.5 4.9 46.9 215 244 A K H << S+ 0 0 136 -3,-1.1 -1,-0.3 -4,-0.8 3,-0.2 0.735 109.0 42.8 -74.9 -26.4 11.4 5.7 50.7 216 245 A V H << S+ 0 0 129 -3,-1.4 2,-0.5 -4,-0.7 -2,-0.2 0.891 129.5 21.2 -87.1 -44.4 8.0 7.2 50.4 217 246 A I S < S- 0 0 44 -4,-2.1 -1,-0.3 -48,-0.0 -48,-0.1 -0.954 82.6-163.6-129.1 107.3 6.3 4.7 48.1 218 247 A K - 0 0 131 -2,-0.5 -4,-0.1 -50,-0.4 -3,-0.1 -0.774 2.7-164.1-108.8 97.1 8.2 1.5 48.3 219 248 A P - 0 0 2 0, 0.0 -49,-0.1 0, 0.0 59,-0.1 -0.316 25.3-127.7 -75.4 163.1 7.6 -1.0 45.6 220 249 A S S S+ 0 0 36 -51,-0.3 2,-0.3 58,-0.3 58,-0.1 0.511 88.4 32.4 -82.4 -8.6 8.7 -4.7 46.0 221 250 A A - 0 0 0 -50,-0.2 2,-0.3 21,-0.1 -48,-0.3 -0.991 58.7-153.6-148.4 150.6 10.7 -4.6 42.6 222 251 A L E -g 244 0D 0 21,-2.4 23,-3.0 -2,-0.3 24,-0.7 -0.834 21.6-147.8-113.4 162.2 12.7 -2.4 40.3 223 252 A F E -g 246 0D 0 -50,-2.2 2,-0.4 -2,-0.3 24,-0.2 -0.918 4.3-153.0-128.6 156.5 12.9 -3.1 36.6 224 253 A V E -g 247 0D 0 22,-1.7 24,-2.2 -2,-0.3 2,-0.1 -0.992 19.3-124.8-132.5 136.3 15.6 -2.5 34.0 225 254 A E E > -g 248 0D 1 -2,-0.4 3,-1.2 22,-0.2 24,-0.2 -0.425 14.7-130.1 -79.6 151.6 15.1 -2.0 30.3 226 255 A S T 3 S+ 0 0 24 22,-2.1 -1,-0.1 1,-0.2 23,-0.1 0.657 105.1 53.8 -71.0 -14.1 16.8 -4.2 27.7 227 256 A S T 3 S+ 0 0 11 25,-0.1 2,-0.3 -192,-0.1 -1,-0.2 0.163 96.6 75.0-110.1 10.8 18.0 -1.1 25.8 228 257 A V S < S- 0 0 19 -3,-1.2 2,-0.4 -193,-0.1 -4,-0.0 -0.853 89.3 -94.2-121.8 159.8 19.8 0.9 28.6 229 258 A D - 0 0 71 -2,-0.3 4,-0.4 1,-0.1 -4,-0.1 -0.630 35.0-151.7 -64.5 125.3 23.1 0.7 30.5 230 259 A R S > S+ 0 0 99 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.571 73.7 90.9 -77.4 -15.1 22.0 -1.3 33.7 231 260 A R H > S+ 0 0 182 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.902 83.5 51.0 -60.7 -42.9 24.7 0.3 36.0 232 261 A P H > S+ 0 0 13 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.939 112.6 44.8 -60.8 -45.0 22.6 3.2 37.2 233 262 A M H > S+ 0 0 0 -4,-0.4 4,-3.3 2,-0.2 -2,-0.2 0.838 109.0 58.4 -66.3 -30.5 19.6 1.0 38.2 234 263 A E H X S+ 0 0 87 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.921 106.9 47.6 -62.1 -43.1 22.1 -1.4 39.8 235 264 A T H X S+ 0 0 59 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.936 111.6 50.2 -57.8 -47.2 23.2 1.5 42.0 236 265 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 6,-0.4 0.928 112.0 47.8 -56.5 -46.2 19.6 2.3 42.8 237 266 A S H X S+ 0 0 21 -4,-3.3 4,-2.1 1,-0.2 5,-0.4 0.920 113.1 48.0 -60.0 -47.1 18.9 -1.3 43.7 238 267 A K H < S+ 0 0 172 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.904 116.6 42.2 -59.8 -46.9 22.0 -1.4 45.9 239 268 A D H < S+ 0 0 89 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.838 122.0 38.6 -74.8 -33.2 21.2 1.8 47.7 240 269 A S H < S- 0 0 26 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.720 97.4-131.9 -85.4 -24.2 17.4 1.2 48.1 241 270 A G < + 0 0 62 -4,-2.1 -3,-0.1 -5,-0.3 -4,-0.1 0.522 65.0 131.4 77.6 6.1 17.7 -2.6 48.9 242 271 A I - 0 0 4 -6,-0.4 -1,-0.3 -5,-0.4 -2,-0.2 -0.820 56.5-126.3 -95.6 126.8 14.9 -3.2 46.4 243 272 A P - 0 0 72 0, 0.0 -21,-2.4 0, 0.0 2,-0.7 -0.362 13.8-116.7 -71.3 149.1 15.8 -6.0 43.9 244 273 A I E -g 222 0D 33 -23,-0.2 -21,-0.2 1,-0.2 3,-0.1 -0.765 33.2-169.2 -77.7 115.7 15.8 -5.7 40.1 245 274 A Y E - 0 0 82 -23,-3.0 2,-0.3 -2,-0.7 -1,-0.2 0.907 54.0 -21.9 -79.2 -42.9 13.1 -8.2 39.4 246 275 A S E -g 223 0D 18 -24,-0.7 -22,-1.7 -3,-0.1 -1,-0.3 -0.990 60.0-102.3-162.3 154.7 13.4 -8.5 35.6 247 276 A E E -g 224 0D 74 -2,-0.3 2,-0.3 -24,-0.2 -22,-0.2 -0.605 42.7-165.5 -73.8 149.9 14.5 -6.9 32.5 248 277 A I E -g 225 0D 0 -24,-2.2 -22,-2.1 -2,-0.2 2,-0.6 -0.834 19.0-113.5-133.9 172.6 11.6 -5.4 30.6 249 278 A F + 0 0 6 17,-0.4 4,-0.1 -2,-0.3 21,-0.1 -0.936 49.0 137.6-118.5 119.2 11.2 -4.2 27.0 250 279 A T S S+ 0 0 0 -2,-0.6 -1,-0.1 2,-0.2 -138,-0.1 0.648 78.5 19.8-120.3 -68.4 10.6 -0.5 26.3 251 280 A D S S+ 0 0 1 1,-0.1 2,-0.3 -217,-0.0 -239,-0.3 0.377 128.8 30.1 -91.6 0.6 12.6 0.9 23.4 252 281 A S S S- 0 0 1 -241,-0.1 -26,-0.2 -218,-0.1 -2,-0.2 -0.987 73.8-122.0-152.9 148.8 13.3 -2.4 21.7 253 282 A I - 0 0 13 -2,-0.3 -219,-0.4 1,-0.1 8,-0.2 -0.355 50.1 -87.2 -73.2 170.6 11.8 -5.9 21.3 254 283 A A - 0 0 5 6,-2.5 -1,-0.1 8,-0.2 3,-0.1 -0.373 54.7 -82.6 -74.2 158.8 13.9 -8.9 22.5 255 284 A K > - 0 0 125 1,-0.1 3,-2.3 4,-0.1 -1,-0.1 -0.314 64.7 -79.9 -59.5 147.6 16.4 -10.6 20.2 256 285 A K T 3 S+ 0 0 190 1,-0.3 -1,-0.1 -3,-0.1 6,-0.1 -0.200 118.5 22.1 -57.1 134.9 14.8 -13.1 17.9 257 286 A G T 3 S+ 0 0 64 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.263 102.6 101.7 90.6 -12.5 14.2 -16.5 19.5 258 287 A K S X S- 0 0 114 -3,-2.3 3,-1.0 1,-0.1 -1,-0.3 -0.758 88.5 -86.1 -99.6 154.1 14.1 -15.0 23.1 259 288 A P T 3 S+ 0 0 83 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 -0.269 116.6 33.0 -57.5 138.9 10.9 -14.3 25.0 260 289 A G T 3 S+ 0 0 4 -6,-0.1 -6,-2.5 -7,-0.1 2,-0.5 0.622 73.7 145.3 93.7 10.8 9.6 -10.9 24.1 261 290 A D < + 0 0 54 -3,-1.0 2,-0.3 -8,-0.2 -4,-0.1 0.023 60.6 39.8 -83.2 35.9 10.8 -11.0 20.5 262 291 A S S > S- 0 0 25 -2,-0.5 4,-2.9 1,-0.1 -8,-0.2 -0.953 91.8-101.7-159.3 169.2 7.9 -9.0 19.1 263 292 A Y H > S+ 0 0 0 -2,-0.3 4,-2.1 -251,-0.2 5,-0.2 0.959 125.0 44.7 -60.7 -48.1 5.8 -6.0 20.0 264 293 A Y H > S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.965 117.1 45.6 -59.9 -49.3 2.9 -8.3 21.2 265 294 A A H > S+ 0 0 25 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.873 111.1 51.5 -61.3 -41.4 5.4 -10.6 23.0 266 295 A M H X S+ 0 0 0 -4,-2.9 4,-2.5 -6,-0.3 -17,-0.4 0.878 111.0 48.4 -68.0 -32.7 7.3 -7.9 24.7 267 296 A M H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.872 111.8 48.7 -76.3 -35.0 4.1 -6.3 26.0 268 297 A K H X S+ 0 0 63 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.929 112.0 49.8 -65.0 -44.6 2.8 -9.6 27.3 269 298 A W H X S+ 0 0 54 -4,-2.6 4,-3.3 2,-0.2 5,-0.3 0.951 111.5 49.0 -55.2 -52.1 6.3 -10.1 29.0 270 299 A N H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.4 0.922 111.4 48.7 -55.9 -48.5 6.1 -6.6 30.5 271 300 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 5,-0.3 0.937 117.0 42.4 -60.2 -46.7 2.5 -7.2 31.9 272 301 A D H X S+ 0 0 35 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.951 119.5 41.0 -63.8 -51.6 3.5 -10.6 33.4 273 302 A K H X S+ 0 0 51 -4,-3.3 4,-2.7 -5,-0.2 5,-0.2 0.869 117.3 47.1 -68.8 -39.8 6.9 -9.5 34.8 274 303 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.3 5,-0.2 0.944 115.6 43.8 -69.3 -45.9 5.8 -6.2 36.1 275 304 A S H X S+ 0 0 12 -4,-2.1 4,-1.4 -5,-0.4 -2,-0.2 0.899 117.5 47.1 -66.2 -38.9 2.6 -7.5 37.8 276 305 A E H < S+ 0 0 89 -4,-2.4 4,-0.4 -5,-0.3 -2,-0.2 0.935 113.6 47.2 -66.6 -42.0 4.5 -10.5 39.2 277 306 A G H >< S+ 0 0 0 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.911 113.9 46.6 -66.9 -44.2 7.4 -8.4 40.5 278 307 A L H 3< S+ 0 0 0 -4,-2.6 -58,-0.3 1,-0.2 -1,-0.2 0.746 104.2 62.3 -70.9 -24.1 5.1 -5.7 42.1 279 308 A A T 3< 0 0 54 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.524 360.0 360.0 -79.1 -9.6 2.9 -8.4 43.7 280 309 A K < 0 0 163 -3,-1.0 -60,-0.2 -4,-0.4 -59,-0.1 -0.235 360.0 360.0 -67.5 360.0 5.9 -9.7 45.8