==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 21-DEC-11 3V7F . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES; . AUTHOR E.BAE,D.K.JUNG,Y.KOO . 437 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25843.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 6.4 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 . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 36 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0 2 0 0 0 3 1 2 1 0 1 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 5 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 . 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 2 1 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 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 M 0 0 52 0, 0.0 13,-3.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-166.5 -2.8 25.1 20.5 2 2 A N E -AB 13 47A 37 45,-1.4 45,-1.5 11,-0.2 2,-0.5 -0.980 360.0-152.2-143.7 148.2 -3.2 28.3 18.3 3 3 A L E +AB 12 46A 1 9,-2.5 9,-3.4 -2,-0.3 2,-0.3 -0.968 35.3 163.2-109.6 125.0 -5.3 30.2 15.9 4 4 A N E + B 0 45A 41 41,-3.2 41,-3.0 -2,-0.5 2,-0.3 -0.993 10.8 154.1-141.3 153.2 -3.3 32.5 13.6 5 5 A F > - 0 0 25 -2,-0.3 3,-1.2 39,-0.2 39,-0.1 -0.934 55.3 -78.2-157.2-175.1 -3.6 34.5 10.4 6 6 A S T 3 S+ 0 0 124 37,-0.4 38,-0.1 -2,-0.3 37,-0.0 0.769 118.8 52.6 -60.6 -38.0 -2.1 37.5 8.6 7 7 A L T 3 S+ 0 0 89 3,-0.0 2,-0.5 -3,-0.0 -1,-0.2 0.541 89.0 93.6 -73.4 -13.8 -4.0 40.3 10.4 8 8 A L < - 0 0 12 -3,-1.2 -3,-0.1 1,-0.2 204,-0.1 -0.747 65.5-151.7 -90.0 129.0 -3.0 39.1 13.8 9 9 A D S S+ 0 0 145 -2,-0.5 -1,-0.2 1,-0.3 -3,-0.0 0.932 88.1 3.2 -58.1 -41.9 0.0 40.7 15.3 10 10 A E S S- 0 0 121 -3,-0.1 -1,-0.3 1,-0.0 -3,-0.0 -0.983 94.7 -89.9-149.8 142.6 0.5 37.5 17.3 11 11 A P - 0 0 63 0, 0.0 -7,-0.2 0, 0.0 -2,-0.0 0.005 38.1-113.9 -60.7 159.1 -1.4 34.2 17.3 12 12 A I E -A 3 0A 4 -9,-3.4 -9,-2.5 193,-0.0 2,-0.4 -0.823 29.7-127.5 -94.4 134.2 -4.4 33.5 19.6 13 13 A P E -A 2 0A 58 0, 0.0 2,-0.7 0, 0.0 -11,-0.2 -0.696 16.5-161.5 -92.1 129.5 -3.8 30.8 22.3 14 14 A L + 0 0 1 -13,-3.5 2,-0.4 -2,-0.4 4,-0.1 -0.833 25.1 152.0-114.0 86.6 -6.3 27.9 22.6 15 15 A R S S- 0 0 162 -2,-0.7 175,-0.1 2,-0.3 176,-0.1 -0.954 70.4 -46.5-109.0 139.5 -6.1 26.1 25.9 16 16 A G S S+ 0 0 11 -2,-0.4 175,-2.6 168,-0.1 2,-0.3 -0.060 127.3 13.0 42.4-124.1 -9.2 24.4 27.2 17 17 A G E S+d 191 0B 30 173,-0.2 2,-0.3 164,-0.2 -2,-0.3 -0.615 70.9 175.6 -80.9 137.7 -12.0 26.9 26.8 18 18 A T E -d 192 0B 8 173,-1.3 175,-1.8 -2,-0.3 2,-0.5 -0.893 13.3-160.8-144.9 109.9 -11.2 30.0 24.6 19 19 A I E -de 193 204B 2 184,-0.6 186,-2.8 -2,-0.3 2,-0.5 -0.843 8.4-169.1 -96.2 127.0 -13.9 32.6 23.8 20 20 A L E -de 194 205B 3 173,-2.4 175,-2.6 -2,-0.5 2,-0.4 -0.947 2.7-163.0-122.1 110.8 -13.2 34.8 20.7 21 21 A V E -de 195 206B 0 184,-3.5 186,-1.4 -2,-0.5 2,-0.5 -0.745 5.4-172.1 -91.3 133.6 -15.3 37.8 20.1 22 22 A L E + e 0 207B 5 173,-3.1 186,-0.2 -2,-0.4 6,-0.1 -0.985 5.5 177.6-122.0 117.5 -15.2 39.4 16.6 23 23 A E + 0 0 83 184,-2.0 2,-1.0 -2,-0.5 185,-0.2 0.694 55.5 90.7-101.9 -17.2 -17.1 42.7 16.7 24 24 A D S >> S- 0 0 21 183,-0.7 3,-3.6 1,-0.2 4,-2.4 -0.705 74.6-143.8 -73.9 105.1 -16.6 43.8 13.2 25 25 A V H 3> S+ 0 0 45 -2,-1.0 4,-2.1 1,-0.3 5,-0.2 0.868 99.2 51.8 -32.0 -49.0 -19.7 42.3 11.5 26 26 A C H 34 S+ 0 0 67 2,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.542 110.5 45.9 -73.7 -8.4 -17.5 41.7 8.4 27 27 A V H <> S+ 0 0 14 -3,-3.6 4,-3.1 2,-0.2 5,-0.3 0.789 108.5 54.3-107.3 -38.2 -14.7 39.9 10.3 28 28 A F H X S+ 0 0 2 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.971 113.6 44.5 -40.3 -61.9 -16.9 37.7 12.2 29 29 A S H X S+ 0 0 14 -4,-2.1 4,-1.1 -5,-0.3 335,-0.3 0.777 114.5 48.7 -64.2 -32.0 -18.4 36.6 8.9 30 30 A K H > S+ 0 0 65 -4,-0.4 4,-2.9 -5,-0.2 -1,-0.2 0.910 115.1 43.3 -74.0 -40.4 -15.1 36.2 7.3 31 31 A I H X S+ 0 0 8 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.906 113.5 49.1 -76.9 -43.7 -13.6 34.2 10.1 32 32 A V H X S+ 0 0 4 -4,-2.9 4,-1.9 -5,-0.3 -1,-0.2 0.905 117.1 46.4 -53.8 -43.3 -16.6 31.9 10.7 33 33 A Q H X S+ 0 0 2 -4,-1.1 4,-1.9 -5,-0.3 -2,-0.2 0.927 108.6 50.7 -72.9 -42.0 -16.5 31.4 7.0 34 34 A Y H < S+ 0 0 55 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.876 109.9 55.1 -61.3 -32.6 -12.8 30.8 6.7 35 35 A C H >< S+ 0 0 9 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.919 106.0 50.2 -64.0 -47.8 -13.3 28.2 9.5 36 36 A Y H 3< S+ 0 0 81 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.833 115.9 40.2 -61.7 -38.2 -15.9 26.4 7.6 37 37 A Q T 3< S+ 0 0 78 -4,-1.9 -1,-0.3 2,-0.0 -2,-0.2 0.254 86.6 151.9 -96.3 11.8 -13.8 26.2 4.4 38 38 A Y < + 0 0 13 -3,-1.2 2,-0.2 -5,-0.2 -3,-0.1 -0.026 12.9 145.4 -43.7 138.0 -10.6 25.4 6.3 39 39 A E > - 0 0 114 5,-0.3 3,-1.2 1,-0.1 -1,-0.1 -0.877 60.5 -59.5-156.3-164.3 -8.0 23.3 4.5 40 40 A E T 3 S+ 0 0 172 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.935 131.8 17.7 -51.9 -61.0 -4.3 22.8 3.9 41 41 A D T 3 S+ 0 0 131 -3,-0.0 -1,-0.3 4,-0.0 2,-0.2 -0.596 89.8 149.3-113.8 64.8 -3.4 26.3 2.7 42 42 A S < - 0 0 4 -3,-1.2 -4,-0.1 -2,-0.4 -7,-0.0 -0.527 62.2-110.6 -83.6 165.1 -6.5 28.1 3.8 43 43 A E S S+ 0 0 119 -2,-0.2 -37,-0.4 -9,-0.1 2,-0.3 0.863 103.8 66.1 -63.1 -34.5 -6.1 31.8 4.7 44 44 A L S S- 0 0 0 -10,-0.2 2,-0.4 -39,-0.1 -2,-0.3 -0.695 74.2-153.4 -95.2 136.5 -6.7 30.8 8.4 45 45 A K E -B 4 0A 67 -41,-3.0 -41,-3.2 -2,-0.3 2,-0.4 -0.909 14.6-179.4-120.5 144.9 -4.2 28.6 10.4 46 46 A F E +B 3 0A 2 -2,-0.4 7,-1.4 7,-0.2 2,-0.3 -0.998 14.9 163.9-133.3 135.4 -4.3 26.3 13.4 47 47 A F E BC 2 52A 34 -45,-1.5 -45,-1.4 -2,-0.4 5,-0.3 -0.982 360.0 360.0-158.4 152.8 -1.5 24.3 15.1 48 48 A D 0 0 76 3,-2.1 3,-0.2 -2,-0.3 4,-0.1 -0.154 360.0 360.0 -38.8 360.0 -0.2 22.3 18.2 49 ! 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 50 51 A M 0 0 164 0, 0.0 2,-0.4 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 0.6 3.7 23.8 15.7 51 52 A K - 0 0 163 -3,-0.2 -3,-2.1 1,-0.1 2,-0.2 -0.681 360.0-115.4 -77.5 133.5 2.3 21.1 13.4 52 53 A T B -C 47 0A 70 -2,-0.4 -5,-0.3 -5,-0.3 2,-0.3 -0.524 23.3-113.5 -76.8 140.2 -0.8 22.4 11.9 53 54 A I - 0 0 2 -7,-1.4 -7,-0.2 -2,-0.2 -1,-0.1 -0.560 31.9-130.1 -64.4 127.0 -4.2 20.7 12.7 54 55 A K > - 0 0 131 -2,-0.3 3,-0.7 1,-0.1 -1,-0.1 -0.301 23.3-108.5 -72.8 165.3 -5.6 19.0 9.5 55 56 A E G > S+ 0 0 126 1,-0.2 3,-2.6 2,-0.2 -1,-0.1 0.968 118.9 59.2 -60.3 -54.9 -9.3 19.7 8.7 56 57 A S G 3 S+ 0 0 60 1,-0.3 -1,-0.2 104,-0.1 104,-0.0 0.711 97.2 62.7 -42.1 -30.0 -10.4 16.3 9.7 57 58 A E G < S+ 0 0 33 -3,-0.7 104,-3.5 103,-0.2 105,-2.0 0.260 96.1 77.3 -84.3 12.5 -9.0 17.0 13.2 58 59 A I E < -f 162 0B 22 -3,-2.6 2,-0.4 102,-0.2 105,-0.2 -0.983 58.5-167.8-130.0 126.5 -11.6 19.8 13.6 59 60 A M E -f 163 0B 28 103,-2.1 105,-2.5 -2,-0.4 2,-0.4 -0.898 10.7-164.3-107.4 141.4 -15.3 19.6 14.3 60 61 A L E -f 164 0B 43 -2,-0.4 2,-0.6 103,-0.2 105,-0.2 -0.984 4.8-159.1-132.0 126.8 -17.4 22.7 13.9 61 62 A V E +f 165 0B 1 103,-3.2 105,-2.9 -2,-0.4 3,-0.2 -0.917 31.2 143.9-112.2 123.7 -20.8 23.3 15.2 62 63 A T S S+ 0 0 21 -2,-0.6 2,-1.0 1,-0.3 -1,-0.2 0.687 76.8 43.6-114.1 -59.8 -23.1 25.9 13.7 63 64 A D - 0 0 36 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 -0.782 69.5-178.9 -92.1 98.2 -26.4 24.3 13.9 64 65 A I S > S+ 0 0 8 -2,-1.0 3,-1.7 1,-0.2 -1,-0.2 0.973 78.8 42.8 -62.1 -62.6 -26.5 22.8 17.5 65 66 A L T 3 S+ 0 0 31 1,-0.3 -1,-0.2 3,-0.0 76,-0.1 0.804 115.9 51.5 -60.2 -25.3 -29.9 21.1 17.5 66 67 A G T 3 S+ 0 0 48 2,-0.1 -1,-0.3 -4,-0.0 2,-0.2 0.429 82.1 111.4 -94.2 -0.6 -29.4 19.7 14.0 67 68 A F < - 0 0 40 -3,-1.7 2,-0.9 -4,-0.3 3,-0.1 -0.541 69.8-127.2 -76.6 137.2 -26.1 18.2 14.6 68 69 A D + 0 0 102 -2,-0.2 3,-0.3 1,-0.2 -2,-0.1 -0.807 34.7 167.5 -93.8 104.2 -26.1 14.4 14.5 69 70 A V S S+ 0 0 1 -2,-0.9 67,-0.2 1,-0.2 -1,-0.2 0.376 71.1 74.2 -85.8 -2.0 -24.6 13.0 17.7 70 71 A N + 0 0 33 65,-0.1 -1,-0.2 4,-0.1 2,-0.1 -0.090 67.0 144.0-101.3 36.6 -26.0 9.5 16.7 71 72 A S > - 0 0 36 -3,-0.3 4,-3.5 1,-0.1 5,-0.2 -0.425 63.1-113.2 -69.5 148.4 -23.5 8.9 14.0 72 73 A S H > S+ 0 0 98 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.876 118.1 50.8 -41.1 -54.3 -22.2 5.4 13.4 73 74 A T H > S+ 0 0 88 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.904 113.8 45.9 -58.8 -41.3 -18.7 6.3 14.5 74 75 A I H > S+ 0 0 3 2,-0.2 4,-2.9 3,-0.1 -2,-0.2 0.949 114.6 46.0 -68.5 -49.3 -20.1 7.9 17.7 75 76 A L H X S+ 0 0 40 -4,-3.5 4,-2.5 1,-0.2 5,-0.4 0.991 109.5 54.4 -52.5 -60.8 -22.5 4.9 18.5 76 77 A K H X S+ 0 0 142 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.854 113.5 45.7 -40.2 -38.4 -19.7 2.4 17.8 77 78 A L H X S+ 0 0 64 -4,-1.4 4,-1.4 -5,-0.3 -1,-0.2 0.945 110.5 48.6 -77.7 -51.0 -17.7 4.4 20.4 78 79 A I H >X S+ 0 0 19 -4,-2.9 4,-2.6 1,-0.2 3,-1.4 0.974 111.7 52.7 -41.9 -63.9 -20.4 4.8 23.0 79 80 A H H 3X S+ 0 0 14 -4,-2.5 4,-2.6 1,-0.3 -2,-0.2 0.854 108.6 47.0 -50.0 -44.5 -21.1 1.0 22.8 80 81 A A H 3X S+ 0 0 49 -4,-1.8 4,-1.9 -5,-0.4 -1,-0.3 0.778 112.0 53.9 -70.7 -19.5 -17.5 -0.1 23.3 81 82 A D H X S+ 0 0 50 -4,-2.6 3,-1.1 2,-0.2 4,-0.8 0.962 111.6 52.9 -59.1 -50.6 -20.4 0.8 27.9 83 84 A E H >X S+ 0 0 61 -4,-2.6 3,-2.8 1,-0.3 4,-0.5 0.961 108.9 49.3 -46.1 -55.2 -19.0 -2.6 27.3 84 85 A S H 3< S+ 0 0 46 -4,-1.9 3,-0.5 1,-0.3 4,-0.4 0.687 95.0 72.1 -67.0 -18.5 -15.8 -1.6 28.9 85 86 A Q H << S+ 0 0 104 -4,-1.2 3,-0.5 -3,-1.1 -1,-0.3 0.770 96.4 54.5 -58.0 -26.8 -17.7 -0.2 31.9 86 87 A F H X< S+ 0 0 52 -3,-2.8 3,-2.2 -4,-0.8 7,-0.4 0.737 90.8 68.9 -80.5 -26.1 -18.3 -3.9 32.8 87 88 A N T 3< S+ 0 0 91 -4,-0.5 -1,-0.2 -3,-0.5 -2,-0.2 0.677 98.2 55.4 -72.0 -10.9 -14.7 -4.8 32.8 88 89 A E T 3 S+ 0 0 165 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.414 109.0 48.6 -86.9 -4.5 -14.6 -2.7 35.9 89 90 A K <> + 0 0 124 -3,-2.2 4,-3.0 1,-0.1 5,-0.2 -0.573 63.2 165.3-135.9 68.9 -17.3 -4.8 37.4 90 91 A P H > S+ 0 0 84 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.791 75.0 59.7 -66.2 -26.9 -16.2 -8.4 36.9 91 92 A E H > S+ 0 0 159 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.948 112.3 34.7 -62.0 -59.8 -18.8 -9.5 39.4 92 93 A V H > S+ 0 0 74 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.874 115.9 57.1 -64.8 -38.0 -21.8 -8.2 37.5 93 94 A K H X S+ 0 0 47 -4,-3.0 4,-3.2 -7,-0.4 -2,-0.2 0.937 105.0 53.0 -59.2 -42.4 -20.1 -9.0 34.2 94 95 A S H X S+ 0 0 67 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.894 107.1 50.2 -63.7 -40.7 -19.9 -12.5 35.3 95 96 A M H X S+ 0 0 95 -4,-1.5 4,-4.0 2,-0.2 -1,-0.2 0.919 109.6 52.0 -62.1 -41.9 -23.6 -12.7 36.1 96 97 A I H X S+ 0 0 36 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.954 107.8 51.4 -58.9 -46.6 -24.3 -11.3 32.7 97 98 A D H X S+ 0 0 77 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.952 114.0 45.8 -51.2 -48.4 -22.1 -14.0 31.2 98 99 A K H X S+ 0 0 124 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.925 112.2 48.5 -67.8 -42.5 -24.1 -16.5 33.1 99 100 A L H X S+ 0 0 96 -4,-4.0 4,-1.9 2,-0.2 -1,-0.2 0.928 112.4 49.8 -59.7 -40.3 -27.5 -15.0 32.2 100 101 A V H X S+ 0 0 17 -4,-3.0 4,-3.6 1,-0.2 -2,-0.2 0.924 106.3 56.3 -65.5 -43.4 -26.4 -14.9 28.6 101 102 A A H X S+ 0 0 54 -4,-2.8 4,-3.0 -5,-0.3 -1,-0.2 0.873 105.9 52.0 -51.8 -37.7 -25.4 -18.6 28.8 102 103 A T H X S+ 0 0 54 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.947 110.4 45.5 -70.5 -45.4 -28.9 -19.4 30.0 103 104 A I H X S+ 0 0 89 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.957 113.0 53.2 -56.4 -50.3 -30.6 -17.6 27.1 104 105 A T H X S+ 0 0 38 -4,-3.6 4,-3.6 1,-0.2 5,-0.3 0.930 109.5 47.4 -49.2 -54.6 -28.0 -19.4 24.8 105 106 A E H X S+ 0 0 130 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.902 110.3 50.9 -55.2 -44.7 -29.0 -22.8 26.2 106 107 A L H X S+ 0 0 110 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.860 114.8 45.8 -67.5 -30.7 -32.7 -22.1 25.9 107 108 A I H X S+ 0 0 84 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.953 110.9 49.5 -71.9 -53.7 -32.0 -21.1 22.3 108 109 A V H X S+ 0 0 21 -4,-3.6 4,-2.5 2,-0.2 5,-0.3 0.897 107.4 57.6 -51.4 -39.2 -29.7 -24.1 21.4 109 110 A F H X S+ 0 0 110 -4,-2.7 4,-2.8 -5,-0.3 -1,-0.2 0.968 106.8 46.7 -60.2 -45.2 -32.4 -26.3 22.9 110 111 A E H X S+ 0 0 117 -4,-1.5 4,-0.6 1,-0.2 -1,-0.3 0.774 109.0 58.1 -57.9 -27.6 -34.8 -24.8 20.4 111 112 A C H < S+ 0 0 26 -4,-1.8 3,-0.3 2,-0.2 7,-0.3 0.912 108.8 42.2 -72.2 -43.7 -32.1 -25.4 17.8 112 113 A L H < S+ 0 0 130 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.919 111.5 55.2 -61.9 -50.1 -32.0 -29.2 18.6 113 114 A E H < S+ 0 0 132 -4,-2.8 2,-0.3 -5,-0.3 -1,-0.2 0.684 93.3 90.8 -59.4 -16.4 -35.7 -29.4 18.8 114 115 A N S < S- 0 0 77 -4,-0.6 4,-0.2 -3,-0.3 -3,-0.0 -0.634 85.7-126.1 -81.1 143.5 -35.8 -27.9 15.3 115 116 A E S S+ 0 0 191 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.752 87.5 80.2 -60.5 -27.0 -35.7 -30.4 12.4 116 117 A L S S- 0 0 109 -5,-0.1 2,-0.9 1,-0.1 -2,-0.1 -0.540 89.7-114.8 -83.5 147.5 -32.7 -28.8 10.8 117 118 A D - 0 0 172 -2,-0.2 2,-0.3 0, 0.0 -5,-0.1 -0.748 48.0-174.1 -78.3 103.8 -29.1 -29.4 12.0 118 119 A L - 0 0 78 -2,-0.9 2,-0.2 -7,-0.3 -4,-0.0 -0.790 16.1-165.1-107.3 144.2 -28.3 -25.9 13.2 119 120 A E - 0 0 182 -2,-0.3 2,-0.3 -8,-0.0 0, 0.0 -0.721 10.1-175.2-115.6 177.4 -25.0 -24.5 14.4 120 121 A Y - 0 0 140 -2,-0.2 2,-0.0 1,-0.1 0, 0.0 -0.932 17.3-148.0-162.1 172.3 -24.4 -21.3 16.2 121 122 A D - 0 0 141 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.346 46.5 -61.5-118.6-118.4 -21.8 -19.0 17.6 122 123 A E - 0 0 130 2,-0.0 2,-0.5 -18,-0.0 -1,-0.2 -0.875 28.1-127.2-130.7 169.9 -22.0 -16.8 20.8 123 124 A I - 0 0 50 -2,-0.3 2,-0.3 4,-0.0 -19,-0.1 -0.996 33.6-161.6-110.5 125.5 -24.0 -13.8 22.1 124 125 A T > - 0 0 49 -2,-0.5 4,-1.7 1,-0.1 5,-0.1 -0.711 30.0-118.3-107.5 160.5 -21.8 -11.0 23.2 125 126 A I H > S+ 0 0 17 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.917 117.0 55.9 -60.4 -42.7 -22.4 -8.1 25.5 126 127 A L H > S+ 0 0 51 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.911 105.9 50.9 -54.6 -41.8 -21.6 -5.8 22.6 127 128 A E H > S+ 0 0 94 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.864 109.7 50.2 -63.6 -34.3 -24.3 -7.5 20.5 128 129 A L H X S+ 0 0 66 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.924 111.3 48.2 -70.2 -42.6 -26.8 -7.0 23.3 129 130 A I H X>S+ 0 0 15 -4,-2.8 4,-1.2 2,-0.2 5,-1.0 0.940 114.1 46.5 -60.5 -49.5 -25.9 -3.3 23.6 130 131 A K H ><5S+ 0 0 114 -4,-2.9 3,-1.0 1,-0.3 -2,-0.2 0.947 112.8 51.0 -56.9 -45.5 -26.2 -3.0 19.8 131 132 A S H 3<5S+ 0 0 106 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.808 103.6 58.5 -64.7 -25.9 -29.4 -4.8 19.9 132 133 A L H 3<5S- 0 0 135 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.756 102.5-133.0 -82.4 -20.6 -30.7 -2.6 22.6 133 134 A G T <<5 - 0 0 45 -4,-1.2 2,-0.2 -3,-1.0 -3,-0.2 0.899 31.8-176.4 74.8 41.9 -30.2 0.5 20.4 134 135 A V < + 0 0 44 -5,-1.0 2,-0.3 -59,-0.0 -1,-0.2 -0.563 18.2 145.3 -68.9 132.7 -28.5 2.6 23.0 135 136 A K - 0 0 136 -2,-0.2 2,-0.3 -57,-0.1 -65,-0.1 -0.930 55.4 -76.2-156.5 171.8 -27.9 6.0 21.5 136 137 A V - 0 0 28 -2,-0.3 2,-0.7 -67,-0.2 -67,-0.1 -0.602 44.8-128.3 -74.6 133.5 -27.9 9.7 22.8 137 138 A E + 0 0 92 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 -0.766 47.2 147.4 -89.2 121.6 -31.3 11.1 23.4 138 139 A T > + 0 0 42 -2,-0.7 3,-2.4 2,-0.1 -1,-0.2 0.671 39.6 96.6-118.8 -33.1 -31.7 14.4 21.5 139 140 A Q T 3 S+ 0 0 161 1,-0.3 -2,-0.0 118,-0.0 -1,-0.0 0.587 97.8 31.1 -44.5 -25.2 -35.3 14.7 20.4 140 141 A S T 3 S+ 0 0 65 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.506 93.3 137.9-113.2 -7.4 -36.4 16.8 23.4 141 142 A D < - 0 0 2 -3,-2.4 2,-0.3 1,-0.1 -3,-0.1 0.254 47.9-135.8 -41.4 152.0 -33.1 18.7 24.1 142 143 A T > - 0 0 39 1,-0.1 4,-2.9 111,-0.0 5,-0.3 -0.795 35.7-107.4 -98.4 157.1 -32.5 22.3 24.9 143 144 A I H > S+ 0 0 4 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.928 123.9 49.4 -49.8 -46.3 -29.7 24.0 23.0 144 145 A F H > S+ 0 0 39 27,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.931 109.2 49.8 -56.9 -53.2 -27.8 23.9 26.3 145 146 A E H > S+ 0 0 86 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.890 113.7 47.6 -47.9 -47.7 -28.4 20.2 26.9 146 147 A K H X S+ 0 0 2 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.815 104.1 58.1 -71.8 -32.1 -27.4 19.4 23.4 147 148 A C H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.3 -2,-0.2 0.982 107.5 51.1 -57.4 -49.1 -24.2 21.5 23.6 148 149 A L H X S+ 0 0 45 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.891 109.2 48.4 -52.3 -48.9 -23.3 19.3 26.5 149 150 A E H X S+ 0 0 30 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.919 108.8 53.6 -60.3 -41.2 -23.9 16.2 24.5 150 151 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.955 112.3 45.8 -59.0 -46.1 -21.8 17.6 21.6 151 152 A L H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.933 110.8 52.5 -58.3 -48.6 -19.0 18.1 24.1 152 153 A Q H < S+ 0 0 71 -4,-2.9 4,-0.5 1,-0.2 -2,-0.2 0.893 113.9 42.1 -57.3 -43.9 -19.5 14.6 25.7 153 154 A I H >X S+ 0 0 4 -4,-3.0 4,-1.3 1,-0.2 3,-1.1 0.831 106.0 65.2 -72.8 -29.7 -19.3 12.9 22.3 154 155 A F H 3< S+ 0 0 6 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.925 91.5 62.7 -57.9 -43.0 -16.4 15.2 21.3 155 156 A K T 3< S+ 0 0 90 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.808 102.9 52.8 -48.4 -32.5 -14.2 13.6 24.1 156 157 A Y T <4 S+ 0 0 52 -3,-1.1 2,-0.7 -4,-0.5 -1,-0.2 0.935 84.6 81.4 -73.3 -56.1 -14.6 10.2 22.2 157 158 A L < + 0 0 27 -4,-1.3 -83,-0.0 1,-0.2 -1,-0.0 -0.430 57.4 176.0 -53.8 99.7 -13.4 11.3 18.7 158 159 A T S S+ 0 0 127 -2,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.861 72.3 65.4 -82.7 -37.6 -9.8 11.0 19.6 159 160 A K S S+ 0 0 175 -3,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.904 89.0 78.7 -44.5 -54.5 -8.8 11.8 16.0 160 161 A K - 0 0 58 1,-0.1 -102,-0.2 -6,-0.1 -103,-0.2 -0.277 55.8-177.1 -60.6 140.7 -10.3 15.4 16.4 161 162 A K + 0 0 74 -104,-3.5 2,-0.4 1,-0.3 29,-0.3 0.682 64.7 30.7-112.8 -31.3 -8.1 17.9 18.2 162 163 A L E -f 58 0B 0 -105,-2.0 -103,-2.1 27,-0.1 2,-0.4 -0.990 57.2-159.0-134.8 144.9 -10.3 21.0 18.3 163 164 A L E -fg 59 191B 0 27,-1.7 29,-2.1 -2,-0.4 2,-0.4 -0.989 13.9-160.7-117.9 133.1 -14.1 21.7 18.5 164 165 A I E -fg 60 192B 1 -105,-2.5 -103,-3.2 -2,-0.4 2,-0.6 -0.937 4.4-157.7-117.4 134.9 -15.4 25.1 17.4 165 166 A F E -fg 61 193B 0 27,-3.9 29,-1.9 -2,-0.4 2,-0.8 -0.928 11.7-148.2-111.4 117.2 -18.8 26.6 18.3 166 167 A V E - g 0 194B 6 -105,-2.9 29,-0.1 -2,-0.6 27,-0.1 -0.710 68.6 -33.2 -90.7 113.7 -20.1 29.3 16.0 167 168 A N S S+ 0 0 5 27,-3.1 -1,-0.2 -2,-0.8 28,-0.1 0.848 86.9 138.0 56.1 42.9 -22.2 32.0 17.6 168 169 A S > + 0 0 1 -3,-0.3 3,-2.8 26,-0.2 4,-0.2 0.772 50.1 81.7 -88.5 -36.9 -23.7 29.7 20.2 169 170 A G G > S+ 0 0 2 1,-0.3 3,-3.0 2,-0.2 -1,-0.1 0.867 77.9 68.7 -29.9 -59.7 -23.4 32.3 23.0 170 171 A A G 3 S+ 0 0 12 1,-0.3 -1,-0.3 218,-0.1 79,-0.1 0.667 101.7 48.6 -40.7 -20.8 -26.6 34.0 22.0 171 172 A F G < S+ 0 0 11 -3,-2.8 2,-0.4 77,-0.1 -1,-0.3 0.391 98.3 86.0-101.2 0.1 -28.5 30.9 23.2 172 173 A L < - 0 0 1 -3,-3.0 2,-0.1 -4,-0.2 73,-0.1 -0.882 68.0-131.1-121.9 133.8 -27.0 30.4 26.6 173 174 A T > - 0 0 31 -2,-0.4 4,-3.0 1,-0.1 3,-0.4 -0.478 36.9-113.3 -70.4 149.1 -27.5 31.7 30.1 174 175 A K H > S+ 0 0 89 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.913 123.0 52.1 -49.6 -43.6 -24.3 32.9 31.7 175 176 A D H > S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.849 108.0 50.8 -64.6 -33.6 -24.8 30.0 34.1 176 177 A E H > S+ 0 0 47 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.930 111.2 47.7 -67.4 -42.5 -25.1 27.6 31.1 177 178 A V H X S+ 0 0 1 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.932 110.1 53.4 -62.5 -41.7 -22.0 29.0 29.6 178 179 A A H X S+ 0 0 33 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.880 105.1 54.8 -62.2 -42.2 -20.3 28.6 32.9 179 180 A S H X S+ 0 0 59 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.942 107.8 48.2 -50.5 -55.3 -21.3 25.0 33.1 180 181 A L H X S+ 0 0 1 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.814 109.1 53.3 -64.9 -33.6 -19.7 24.1 29.7 181 182 A Q H X S+ 0 0 45 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.946 110.0 48.1 -60.3 -48.8 -16.5 25.9 30.6 182 183 A E H X S+ 0 0 143 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.950 114.7 45.9 -56.9 -51.1 -16.3 23.8 33.8 183 184 A Y H X S+ 0 0 53 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.897 112.5 49.8 -60.9 -44.1 -17.0 20.6 31.8 184 185 A I H <>S+ 0 0 0 -4,-2.8 5,-2.2 1,-0.2 4,-0.3 0.939 114.3 46.5 -55.8 -48.6 -14.5 21.6 29.0 185 186 A S H ><5S+ 0 0 83 -4,-3.0 3,-0.8 1,-0.2 -2,-0.2 0.874 114.1 47.1 -61.3 -40.8 -11.9 22.2 31.7 186 187 A L H 3<5S+ 0 0 139 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.849 111.6 49.0 -73.2 -35.8 -12.7 19.0 33.5 187 188 A T T 3<5S- 0 0 31 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.307 108.8-120.4 -88.6 6.1 -12.6 16.8 30.4 188 189 A N T < 5 + 0 0 117 -3,-0.8 2,-0.3 -4,-0.3 -3,-0.2 0.943 60.2 154.5 48.8 56.5 -9.3 18.2 29.2 189 190 A L < - 0 0 18 -5,-2.2 2,-0.5 -6,-0.1 -1,-0.2 -0.785 43.9-133.5-112.9 157.6 -10.8 19.4 26.0 190 191 A T + 0 0 16 -29,-0.3 -27,-1.7 -2,-0.3 2,-0.3 -0.951 35.7 166.2-115.5 118.0 -9.9 22.2 23.6 191 192 A V E -dg 17 163B 0 -175,-2.6 -173,-1.3 -2,-0.5 2,-0.4 -0.976 23.1-158.7-141.3 140.8 -12.7 24.4 22.4 192 193 A L E -dg 18 164B 0 -29,-2.1 -27,-3.9 -2,-0.3 2,-0.7 -0.974 2.7-162.5-124.3 129.8 -13.4 27.8 20.7 193 194 A F E -dg 19 165B 2 -175,-1.8 -173,-2.4 -2,-0.4 2,-0.7 -0.908 10.2-157.0-109.1 106.3 -16.5 29.9 20.8 194 195 A L E -dg 20 166B 0 -29,-1.9 -27,-3.1 -2,-0.7 -26,-0.2 -0.745 23.2-177.9 -83.2 117.5 -16.6 32.4 17.9 195 196 A E E -d 21 0B 2 -175,-2.6 -173,-3.1 -2,-0.7 4,-0.1 -0.868 35.3-149.4-124.1 146.9 -18.9 35.2 19.1 196 197 A P S S+ 0 0 11 0, 0.0 2,-0.3 0, 0.0 -168,-0.1 0.600 88.2 19.5 -81.0 -13.7 -20.2 38.5 17.5 197 198 A R S S- 0 0 132 9,-0.0 2,-0.2 -176,-0.0 -175,-0.1 -0.785 103.8 -64.6-152.6 172.4 -20.4 40.2 20.9 198 199 A E - 0 0 84 -2,-0.3 2,-1.1 -177,-0.1 3,-0.1 -0.499 43.7-131.2 -80.1 139.0 -19.0 39.9 24.4 199 200 A L > - 0 0 10 -2,-0.2 3,-1.8 3,-0.1 -1,-0.1 -0.798 51.8 -80.8 -99.7 99.3 -20.0 36.8 26.2 200 201 A Y T 3 S- 0 0 80 -2,-1.1 -2,-0.0 1,-0.2 -27,-0.0 -0.165 87.8 -48.4 42.0-118.2 -21.1 38.0 29.6 201 202 A D T 3 S+ 0 0 80 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