==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 16-JUN-10 3NJ2 . COMPND 2 MOLECULE: DUF269-CONTAINING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CYANOTHECE SP. ATCC 51142; . AUTHOR H.ROBINSON,C.Y.RALSTON,A.ADDLAGATTA,G.W.BUCHKO . 303 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16765.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 11.2 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 0.7 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-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 15 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 42.2 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 3 3 0 0 0 1 1 0 2 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 24 A S > 0 0 96 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -34.4 23.8 -8.2 26.9 2 25 A E H > + 0 0 149 2,-0.2 4,-1.8 1,-0.1 5,-0.1 0.879 360.0 47.7 -81.3 -38.8 21.4 -6.8 29.4 3 26 A T H > S+ 0 0 98 2,-0.2 4,-2.4 1,-0.2 -1,-0.1 0.857 111.5 54.0 -71.7 -29.3 21.3 -3.4 27.8 4 27 A N H > S+ 0 0 50 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.971 108.2 46.0 -63.9 -55.8 20.9 -5.0 24.4 5 28 A T H X S+ 0 0 69 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.890 115.4 49.0 -54.3 -39.7 17.8 -7.1 25.4 6 29 A L H X S+ 0 0 74 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.909 107.4 53.6 -67.3 -44.7 16.4 -4.0 27.0 7 30 A L H X S+ 0 0 39 -4,-2.4 4,-2.8 1,-0.2 7,-0.2 0.886 105.4 54.8 -59.1 -38.6 17.0 -1.8 24.0 8 31 A V H < S+ 0 0 5 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.894 113.8 42.0 -60.1 -38.6 15.1 -4.3 21.8 9 32 A E H < S+ 0 0 133 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.907 123.6 36.0 -74.9 -40.7 12.2 -3.9 24.2 10 33 A Q H < S+ 0 0 128 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.724 88.6 99.8 -87.1 -28.4 12.4 -0.2 24.5 11 34 A S X - 0 0 6 -4,-2.8 4,-3.1 -5,-0.2 5,-0.3 -0.490 56.2-154.3 -75.8 121.5 13.5 1.2 21.1 12 35 A P H > S+ 0 0 66 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.918 100.0 48.5 -58.7 -36.8 10.7 2.6 19.0 13 36 A F H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.942 112.8 45.0 -65.0 -47.1 12.8 1.8 16.0 14 37 A L H > S+ 0 0 0 1,-0.2 4,-2.6 -7,-0.2 5,-0.2 0.914 112.6 52.3 -69.3 -32.5 13.7 -1.8 17.0 15 38 A Q H X S+ 0 0 69 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.925 109.9 48.7 -66.8 -40.9 10.1 -2.4 17.9 16 39 A S H X S+ 0 0 8 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.848 110.8 52.1 -62.8 -39.2 9.0 -1.2 14.4 17 40 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.941 108.9 48.4 -63.5 -54.6 11.6 -3.5 12.9 18 41 A V H X S+ 0 0 6 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.906 108.7 54.5 -48.6 -47.4 10.4 -6.5 14.7 19 42 A Q H X S+ 0 0 132 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.930 110.7 46.1 -58.9 -42.8 6.8 -5.8 13.8 20 43 A Q H X S+ 0 0 15 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.925 108.9 54.4 -64.3 -42.3 7.9 -5.7 10.1 21 44 A I H < S+ 0 0 15 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.897 113.3 43.1 -58.8 -39.8 9.9 -8.9 10.3 22 45 A R H < S+ 0 0 70 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.752 107.6 58.3 -82.8 -26.7 6.9 -10.7 11.7 23 46 A A H < S+ 0 0 58 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.891 108.0 48.4 -66.4 -36.5 4.5 -9.2 9.2 24 47 A Y S < S+ 0 0 69 -4,-2.1 2,-1.2 1,-0.2 -1,-0.2 0.490 91.6 84.8 -83.6 0.3 6.6 -10.6 6.4 25 48 A D > + 0 0 21 -3,-0.5 3,-1.9 1,-0.2 -1,-0.2 -0.648 56.8 171.8 -99.9 75.1 6.6 -14.0 8.1 26 49 A H T 3 S+ 0 0 143 -2,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.812 74.0 44.6 -61.5 -29.4 3.3 -15.2 6.7 27 50 A Y T 3 S- 0 0 208 -3,-0.2 -1,-0.3 0, 0.0 4,-0.1 0.227 109.2-115.8-106.3 18.6 3.7 -18.7 8.0 28 51 A G X + 0 0 13 -3,-1.9 3,-1.6 -6,-0.2 4,-0.2 0.856 59.0 155.2 62.0 27.3 4.9 -17.9 11.5 29 52 A V T 3 S+ 0 0 100 1,-0.2 3,-0.3 2,-0.1 -1,-0.1 0.892 75.2 43.5 -58.6 -28.1 8.1 -19.5 10.8 30 53 A Y T > S+ 0 0 75 1,-0.2 3,-1.8 -9,-0.1 -1,-0.2 0.233 76.5 114.1-101.0 12.3 9.5 -17.2 13.6 31 54 A R T < S+ 0 0 187 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.708 77.6 47.5 -59.7 -22.8 6.8 -17.5 16.2 32 55 A T T 3 S+ 0 0 136 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.3 0.421 94.9 98.4 -95.7 -1.0 8.9 -19.3 18.8 33 56 A W S < S- 0 0 108 -3,-1.8 -3,-0.0 1,-0.1 2,-0.0 -0.716 75.5-119.7 -90.3 138.5 11.8 -16.8 18.4 34 57 A T > - 0 0 78 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.281 28.3-110.4 -58.2 151.5 12.4 -13.9 20.7 35 58 A D H > S+ 0 0 53 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.896 121.4 54.6 -48.4 -46.6 12.3 -10.4 19.3 36 59 A E H > S+ 0 0 65 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.899 107.6 49.4 -60.4 -42.2 16.0 -10.2 19.9 37 60 A L H 4 S+ 0 0 96 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.845 106.9 53.6 -67.3 -30.7 16.6 -13.4 17.9 38 61 A V H < S+ 0 0 5 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.811 111.1 48.4 -76.2 -23.1 14.5 -12.1 15.0 39 62 A I H >< S+ 0 0 2 -4,-1.6 3,-2.7 -5,-0.2 4,-0.4 0.728 88.1 88.3 -80.1 -26.1 16.7 -9.0 14.9 40 63 A A G >< S+ 0 0 46 -4,-1.3 3,-2.1 1,-0.3 -1,-0.2 0.796 73.5 66.4 -47.7 -38.9 20.0 -10.9 15.0 41 64 A P G 3 S+ 0 0 51 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.678 98.2 56.4 -54.2 -22.2 20.4 -11.3 11.2 42 65 A Y G < S+ 0 0 2 -3,-2.7 79,-2.2 78,-0.1 2,-0.6 0.574 96.4 72.3 -83.4 -13.3 20.9 -7.5 11.0 43 66 A V B < +a 121 0A 43 -3,-2.1 79,-0.2 -4,-0.4 -1,-0.1 -0.920 58.7 154.6-111.9 108.1 23.8 -7.6 13.4 44 67 A I - 0 0 17 77,-2.1 5,-0.1 -2,-0.6 79,-0.1 -0.962 43.7-117.7-138.5 117.7 26.9 -9.1 11.8 45 68 A P >> - 0 0 77 0, 0.0 4,-2.5 0, 0.0 3,-0.9 -0.197 29.6-113.8 -56.1 148.2 30.4 -8.2 13.0 46 69 A K H 3> S+ 0 0 113 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.836 112.3 58.6 -56.4 -41.3 32.5 -6.5 10.4 47 70 A K H 34 S+ 0 0 184 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.852 114.6 38.0 -54.7 -36.0 35.1 -9.4 10.1 48 71 A K H X4 S+ 0 0 141 -3,-0.9 3,-0.8 2,-0.2 -2,-0.2 0.856 114.1 53.7 -83.2 -43.3 32.3 -11.7 9.2 49 72 A R H >< S+ 0 0 41 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.899 102.1 58.4 -58.8 -42.0 30.3 -9.3 7.0 50 73 A R T 3< S+ 0 0 135 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.669 102.4 57.2 -72.6 -6.6 33.3 -8.4 4.9 51 74 A E T < S+ 0 0 147 -3,-0.8 2,-0.5 -5,-0.2 -1,-0.3 0.328 72.3 111.5 -98.4 3.9 33.5 -12.2 3.9 52 75 A I S < S- 0 0 51 -3,-1.9 66,-0.1 -4,-0.1 2,-0.1 -0.723 80.2-114.2 -74.0 126.9 30.0 -12.5 2.5 53 76 A S - 0 0 63 -2,-0.5 3,-0.1 1,-0.1 -2,-0.1 -0.402 26.1-165.8 -68.2 142.8 30.8 -13.0 -1.1 54 77 A L S S+ 0 0 54 1,-0.1 -1,-0.1 -2,-0.1 4,-0.1 0.304 70.5 93.5 -96.1 -1.4 29.7 -10.3 -3.7 55 78 A E S S+ 0 0 190 2,-0.1 2,-0.1 3,-0.0 -1,-0.1 0.730 81.3 43.4 -75.6 -30.1 30.4 -12.8 -6.6 56 79 A G S S- 0 0 45 1,-0.1 2,-0.2 -3,-0.1 3,-0.1 -0.435 105.0 -61.6-102.8-176.3 26.8 -14.2 -7.0 57 80 A D - 0 0 106 -2,-0.1 37,-0.2 1,-0.1 -1,-0.1 -0.474 64.0 -99.4 -67.8 130.8 23.3 -12.8 -7.1 58 81 A I - 0 0 5 35,-2.6 -1,-0.1 34,-0.2 37,-0.1 -0.211 46.9-101.0 -49.6 138.1 22.3 -11.1 -3.8 59 82 A D > - 0 0 82 1,-0.1 4,-1.9 -3,-0.1 3,-0.5 -0.448 17.3-135.6 -67.4 128.8 20.1 -13.4 -1.7 60 83 A P H > S+ 0 0 95 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.844 107.8 58.3 -49.9 -38.6 16.3 -12.7 -1.8 61 84 A T H > S+ 0 0 78 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.883 105.3 47.9 -58.5 -42.2 16.3 -13.2 2.0 62 85 A T H > S+ 0 0 11 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.915 109.1 54.2 -65.6 -45.1 18.9 -10.3 2.4 63 86 A K H X S+ 0 0 73 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.914 107.6 51.2 -53.7 -45.2 16.7 -8.1 0.0 64 87 A L H X S+ 0 0 68 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.903 106.2 53.2 -64.1 -38.2 13.7 -8.7 2.3 65 88 A R H X S+ 0 0 44 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.893 109.5 48.9 -62.8 -38.4 15.7 -7.7 5.4 66 89 A I H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.932 111.5 50.9 -67.4 -40.7 16.6 -4.4 3.6 67 90 A L H X S+ 0 0 38 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.924 109.9 48.7 -60.8 -46.6 13.0 -3.9 2.8 68 91 A C H X S+ 0 0 3 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.881 108.8 53.9 -63.2 -35.9 11.9 -4.5 6.4 69 92 A Y H X S+ 0 0 5 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.932 112.1 43.3 -59.5 -48.7 14.5 -2.0 7.6 70 93 A F H X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.845 112.4 53.3 -72.3 -29.3 13.3 0.7 5.4 71 94 A R H X S+ 0 0 86 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.874 106.5 53.2 -73.9 -30.7 9.7 -0.2 6.2 72 95 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.894 108.3 50.7 -61.8 -43.1 10.5 0.2 9.9 73 96 A I H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.935 111.5 47.1 -58.8 -50.2 11.9 3.6 9.2 74 97 A A H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 11,-0.3 0.888 109.3 53.9 -58.9 -41.1 8.7 4.6 7.4 75 98 A A H X S+ 0 0 12 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.886 108.2 50.2 -64.6 -33.4 6.6 3.2 10.2 76 99 A L H X S+ 0 0 10 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.888 110.1 50.8 -68.5 -37.4 8.5 5.4 12.8 77 100 A I H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 6,-0.4 0.907 110.0 49.0 -67.5 -37.4 7.9 8.4 10.6 78 101 A E H X S+ 0 0 84 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.877 107.0 58.2 -67.1 -40.0 4.2 7.5 10.4 79 102 A K H < S+ 0 0 115 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.869 116.9 30.9 -55.0 -36.5 4.2 7.2 14.3 80 103 A E H < S+ 0 0 120 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.618 133.6 27.3-104.8 -15.4 5.5 10.7 14.8 81 104 A T H < S- 0 0 17 -4,-1.7 -3,-0.2 2,-0.2 -2,-0.2 0.485 91.5-125.7-116.9 -16.2 3.9 12.5 11.7 82 105 A G S < S+ 0 0 59 -4,-2.6 2,-0.6 -5,-0.3 -4,-0.2 0.243 77.1 113.5 82.0 -14.2 0.8 10.6 10.9 83 106 A L - 0 0 28 -6,-0.4 2,-0.7 20,-0.0 -1,-0.2 -0.803 54.5-156.5 -94.9 120.9 2.0 10.2 7.3 84 107 A L - 0 0 80 -2,-0.6 2,-0.2 -6,-0.1 -9,-0.1 -0.907 15.7-151.3 -99.0 115.8 2.9 6.6 6.3 85 108 A C - 0 0 5 -2,-0.7 18,-0.2 -11,-0.3 2,-0.2 -0.552 14.0-115.1 -77.3 151.7 5.3 6.7 3.4 86 109 A Q E -B 102 0B 94 16,-2.3 16,-2.1 -2,-0.2 2,-0.4 -0.517 30.4-145.9 -82.9 157.0 5.5 4.1 0.7 87 110 A V E +B 101 0B 17 14,-0.2 2,-0.4 -2,-0.2 14,-0.2 -0.981 18.0 179.4-132.1 132.4 8.8 2.1 0.5 88 111 A V E -B 100 0B 1 12,-2.7 12,-3.3 -2,-0.4 2,-0.5 -0.995 8.4-170.0-125.9 142.7 10.7 0.6 -2.4 89 112 A V E -B 99 0B 18 -2,-0.4 2,-0.6 10,-0.2 10,-0.2 -0.962 12.7-174.6-126.5 110.4 14.0 -1.3 -2.3 90 113 A D E +B 98 0B 34 8,-2.8 8,-2.2 -2,-0.5 2,-0.4 -0.930 10.5 172.0-111.8 108.5 15.3 -1.8 -5.8 91 114 A L E -B 97 0B 18 -2,-0.6 6,-0.2 6,-0.2 -2,-0.1 -0.994 25.7-132.5-129.0 134.8 18.4 -3.9 -6.1 92 115 A N > - 0 0 81 4,-2.6 3,-1.4 -2,-0.4 -34,-0.2 -0.048 38.0-105.2 -46.3 152.5 20.5 -5.5 -8.9 93 116 A H T 3 S+ 0 0 110 1,-0.2 -35,-2.6 -36,-0.1 -1,-0.1 0.870 128.0 57.3 -51.3 -35.5 21.6 -9.0 -8.9 94 117 A E T 3 S- 0 0 117 -37,-0.2 21,-0.4 2,-0.1 -1,-0.2 0.437 122.5-108.0 -77.7 -6.9 24.9 -7.2 -8.0 95 118 A G S < S+ 0 0 0 -3,-1.4 21,-1.8 1,-0.3 2,-0.4 0.777 77.6 125.8 91.8 18.2 23.4 -5.6 -4.9 96 119 A F + 0 0 61 18,-0.2 -4,-2.6 19,-0.2 -1,-0.3 -0.915 30.7 76.5-110.6 144.4 23.3 -2.0 -6.3 97 120 A G E -BC 91 113B 18 16,-2.2 16,-2.9 -2,-0.4 2,-0.3 -0.952 68.3 -51.6 164.0-138.4 20.2 0.2 -6.4 98 121 A W E -BC 90 112B 53 -8,-2.2 -8,-2.8 -2,-0.3 2,-0.5 -0.988 15.9-151.4-139.6 143.8 18.0 2.5 -4.2 99 122 A A E -BC 89 111B 0 12,-2.4 12,-2.3 -2,-0.3 2,-0.4 -0.990 31.8-173.0-109.7 121.5 16.0 2.5 -1.0 100 123 A L E +BC 88 110B 0 -12,-3.3 -12,-2.7 -2,-0.5 2,-0.4 -0.972 17.4 177.8-124.4 127.2 13.2 5.0 -1.5 101 124 A V E +BC 87 109B 0 8,-2.8 8,-2.1 -2,-0.4 7,-1.4 -0.993 18.2 164.4-124.5 124.3 10.7 6.2 1.1 102 125 A W E -BC 86 107B 9 -16,-2.1 -16,-2.3 -2,-0.4 2,-0.4 -0.981 22.5-168.4-142.0 152.1 8.2 8.8 -0.0 103 126 A G E > S- C 0 106B 5 3,-2.0 3,-2.4 -2,-0.3 2,-0.2 -0.996 71.1 -26.0-139.3 138.9 4.9 10.4 1.0 104 127 A G T 3 S- 0 0 25 -2,-0.4 45,-0.2 1,-0.3 46,-0.1 -0.487 127.9 -34.3 56.5-125.9 2.8 12.6 -1.2 105 128 A K T 3 S+ 0 0 60 43,-2.7 155,-2.7 -2,-0.2 2,-0.6 0.033 115.1 109.6-109.8 20.6 5.3 14.1 -3.6 106 129 A L E < -CD 103 259B 0 -3,-2.4 -3,-2.0 42,-0.4 2,-1.2 -0.877 62.9-143.6-100.1 127.6 8.1 14.2 -1.0 107 130 A M E +C 102 0B 1 151,-2.7 -5,-0.2 -2,-0.6 3,-0.1 -0.718 24.9 178.3 -84.8 100.9 11.1 11.9 -1.2 108 131 A V E + 0 0 9 -7,-1.4 2,-0.4 -2,-1.2 -6,-0.2 0.881 66.7 9.2 -78.9 -41.9 11.6 11.4 2.5 109 132 A V E +C 101 0B 11 -8,-2.1 -8,-2.8 -3,-0.2 2,-0.3 -0.998 62.1 171.1-136.2 141.0 14.5 9.0 2.4 110 133 A S E +C 100 0B 40 -2,-0.4 2,-0.5 -10,-0.2 -10,-0.2 -0.844 8.6 175.4-149.5 108.6 16.6 8.1 -0.7 111 134 A R E -C 99 0B 104 -12,-2.3 -12,-2.4 -2,-0.3 2,-0.4 -0.951 27.0-134.9-119.1 126.6 19.7 6.0 -0.1 112 135 A S E -C 98 0B 88 -2,-0.5 2,-0.4 -14,-0.2 -14,-0.3 -0.680 27.0-146.8 -78.7 129.3 21.9 4.7 -2.9 113 136 A L E +C 97 0B 22 -16,-2.9 -16,-2.2 -2,-0.4 2,-0.3 -0.873 19.9 177.2-105.4 133.7 22.8 1.0 -2.1 114 137 A R + 0 0 193 -2,-0.4 -18,-0.2 -18,-0.2 -19,-0.1 -0.985 66.2 2.1-133.0 148.0 26.0 -0.7 -3.0 115 138 A D S > S+ 0 0 64 -21,-0.4 3,-2.0 -2,-0.3 -20,-0.2 0.895 71.6 175.0 47.4 50.4 27.3 -4.2 -2.2 116 139 A A G > + 0 0 5 -21,-1.8 3,-2.1 1,-0.3 -1,-0.1 0.688 61.8 80.4 -69.3 -13.1 24.0 -4.9 -0.6 117 140 A H G 3 S+ 0 0 12 1,-0.3 -1,-0.3 -23,-0.2 -2,-0.1 0.827 94.5 53.3 -48.2 -31.4 24.9 -8.6 0.0 118 141 A R G < S+ 0 0 78 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.051 78.5 146.1-100.2 18.5 26.9 -7.2 3.0 119 142 A F < + 0 0 29 -3,-2.1 2,-0.3 -70,-0.0 -3,-0.0 -0.380 31.3 83.0 -54.8 133.6 24.0 -5.3 4.5 120 143 A G - 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0 0 10 -4,-2.4 4,-2.4 -5,-0.3 5,-0.2 -0.356 62.1-151.3 -60.1 125.3 7.5 14.1 -31.4 165 35 B P H > S+ 0 0 95 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.892 99.0 51.4 -63.8 -33.2 10.0 15.2 -28.7 166 36 B F H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.953 111.7 43.1 -64.1 -52.6 8.6 12.4 -26.5 167 37 B L H > S+ 0 0 0 1,-0.2 4,-2.8 -7,-0.2 -1,-0.2 0.845 113.5 53.1 -63.8 -35.8 9.0 9.7 -29.1 168 38 B Q H X S+ 0 0 61 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.907 109.7 48.5 -60.7 -42.3 12.4 11.0 -30.0 169 39 B S H X S+ 0 0 4 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.932 111.5 50.2 -60.7 -42.8 13.4 10.9 -26.3 170 40 B L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.931 109.7 49.7 -65.4 -44.6 12.1 7.3 -26.0 171 41 B V H X S+ 0 0 4 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.942 109.3 54.0 -57.1 -45.4 14.1 6.3 -29.2 172 42 B Q H X S+ 0 0 103 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.931 110.3 45.6 -54.0 -46.5 17.2 7.9 -27.6 173 43 B Q H X S+ 0 0 26 -4,-2.0 4,-1.0 2,-0.2 3,-0.2 0.946 109.9 52.8 -66.8 -43.3 16.8 5.9 -24.4 174 44 B I H >< S+ 0 0 8 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.925 112.8 46.3 -57.7 -44.4 16.2 2.5 -26.2 175 45 B R H >< S+ 0 0 78 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.792 107.1 57.4 -69.4 -28.4 19.4 3.0 -28.3 176 46 B A H 3< S+ 0 0 68 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.703 106.0 51.0 -75.2 -19.3 21.4 4.0 -25.3 177 47 B Y T << S+ 0 0 108 -4,-1.0 2,-0.6 -3,-0.8 -1,-0.2 -0.408 76.9 119.9-116.8 51.5 20.6 0.7 -23.5 178 48 B D X - 0 0 29 -3,-0.6 3,-0.8 1,-0.2 6,-0.1 -0.836 37.9-175.6-125.5 88.9 21.5 -1.7 -26.3 179 49 B H T 3 S+ 0 0 165 -2,-0.6 -1,-0.2 1,-0.3 0, 0.0 0.933 84.9 33.8 -53.6 -58.3 24.2 -4.0 -25.1 180 50 B Y T 3 S- 0 0 172 1,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.499 107.5-114.0 -78.7 -4.4 24.8 -5.8 -28.5 181 51 B G X + 0 0 12 -3,-0.8 3,-0.8 -6,-0.1 4,-0.3 0.838 62.7 152.6 71.4 32.2 24.1 -2.9 -30.8 182 52 B V T 3 + 0 0 73 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.726 68.0 46.7 -70.5 -20.9 21.0 -4.7 -32.1 183 53 B Y T > S+ 0 0 62 1,-0.2 3,-2.0 -8,-0.1 -1,-0.2 0.560 83.1 99.9 -96.5 -7.8 19.2 -1.5 -33.0 184 54 B R T < S+ 0 0 189 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.783 86.4 39.6 -53.4 -33.6 22.1 0.2 -34.8 185 55 B T T 3 S+ 0 0 118 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.3 0.464 103.8 85.4-100.0 5.3 21.0 -0.7 -38.4 186 56 B W S < S- 0 0 138 -3,-2.0 -3,-0.0 1,-0.1 2,-0.0 -0.727 77.5-102.5-113.3 153.9 17.2 -0.1 -37.9 187 57 B T > - 0 0 80 -2,-0.3 4,-2.0 1,-0.1 3,-0.3 -0.233 32.0-110.5 -63.0 160.8 14.9 2.9 -38.1 188 58 B D H > S+ 0 0 24 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.831 118.0 58.3 -54.1 -40.2 13.4 4.7 -35.2 189 59 B E H > S+ 0 0 41 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.887 107.5 45.8 -62.5 -43.0 10.0 3.3 -36.0 190 60 B L H 4 S+ 0 0 91 -3,-0.3 3,-0.4 1,-0.2 -1,-0.2 0.903 109.2 56.1 -67.3 -37.9 11.2 -0.3 -35.8 191 61 B V H < S+ 0 0 2 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.886 114.9 37.1 -60.9 -35.1 13.0 0.5 -32.5 192 62 B I H >< S+ 0 0 0 -4,-1.7 3,-2.2 1,-0.2 4,-0.3 0.490 89.8 95.7 -96.0 -14.5 9.9 1.7 -30.8 193 63 B A G >< S+ 0 0 49 -4,-1.0 3,-2.2 -3,-0.4 -1,-0.2 0.805 71.7 68.2 -54.6 -30.6 7.4 -0.8 -32.4 194 64 B P G 3 S+ 0 0 53 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.605 91.7 62.8 -65.0 -12.8 7.5 -3.2 -29.4 195 65 B Y G < S+ 0 0 0 -3,-2.2 79,-2.2 78,-0.1 2,-0.6 0.513 93.5 72.1 -75.8 -19.9 5.7 -0.5 -27.3 196 66 B V B < +g 274 0C 43 -3,-2.2 79,-0.2 -4,-0.3 81,-0.1 -0.940 60.3 157.6-107.6 118.9 2.7 -0.7 -29.6 197 67 B I - 0 0 18 77,-2.2 5,-0.1 -2,-0.6 79,-0.0 -0.991 46.8-101.8-146.0 127.1 0.7 -3.9 -29.2 198 68 B P > - 0 0 82 0, 0.0 4,-2.9 0, 0.0 3,-0.5 -0.217 32.8-118.9 -52.4 137.8 -2.9 -4.4 -30.1 199 69 B K H > S+ 0 0 123 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.860 113.7 50.5 -44.2 -44.9 -5.3 -4.4 -27.1 200 70 B K H > S+ 0 0 120 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.895 112.1 44.4 -68.1 -43.3 -6.4 -8.0 -27.7 201 71 B K H 4 S+ 0 0 137 -3,-0.5 3,-0.5 1,-0.2 -1,-0.2 0.892 113.3 53.2 -66.8 -40.6 -2.8 -9.4 -28.0 202 72 B R H >< S+ 0 0 47 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.916 103.9 54.0 -59.3 -47.2 -1.8 -7.4 -25.0 203 73 B R H 3< S+ 0 0 128 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.730 106.0 57.9 -59.1 -25.0 -4.7 -8.8 -22.8 204 74 B E T 3< S+ 0 0 119 -4,-0.8 2,-0.3 -3,-0.5 -1,-0.3 0.354 75.1 114.0 -92.6 -1.7 -3.4 -12.3 -23.7 205 75 B I S < S- 0 0 57 -3,-1.8 2,-0.2 -4,-0.2 66,-0.1 -0.629 71.4-115.3 -69.5 132.7 0.2 -11.9 -22.4 206 76 B S - 0 0 73 -2,-0.3 3,-0.2 1,-0.1 -1,-0.1 -0.422 15.1-157.4 -70.7 138.5 0.8 -14.3 -19.5 207 77 B L + 0 0 50 -2,-0.2 -1,-0.1 1,-0.1 62,-0.1 0.388 68.0 101.9 -90.5 4.8 1.6 -13.0 -16.0 208 78 B E + 0 0 177 62,-0.0 -1,-0.1 39,-0.0 3,-0.1 0.888 66.0 64.8 -67.1 -39.6 3.3 -16.2 -15.0 209 79 B G S S- 0 0 41 -3,-0.2 2,-0.2 38,-0.1 61,-0.1 -0.198 96.4 -98.2 -61.7 169.4 7.0 -15.3 -15.3 210 80 B D S S- 0 0 126 1,-0.1 36,-0.1 37,-0.1 2,-0.1 -0.443 78.6 -70.0 -51.0 159.4 8.8 -12.8 -13.3 211 81 B I - 0 0 17 34,-0.3 -1,-0.1 -2,-0.2 -4,-0.1 -0.419 55.6-102.1 -66.1 137.7 8.7 -10.1 -15.8 212 82 B D > - 0 0 84 1,-0.1 4,-2.7 -3,-0.1 3,-0.3 -0.350 29.0-130.6 -49.3 130.1 10.8 -10.6 -19.0 213 83 B P H > S+ 0 0 100 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.774 107.3 55.8 -60.3 -27.5 13.9 -8.4 -18.5 214 84 B T H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.880 108.8 45.7 -66.3 -43.2 13.4 -6.9 -22.0 215 85 B T H > S+ 0 0 15 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.913 112.6 52.1 -63.3 -44.2 9.9 -5.8 -21.1 216 86 B K H X S+ 0 0 67 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.926 108.0 51.2 -57.2 -41.7 11.3 -4.5 -17.8 217 87 B L H X S+ 0 0 58 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.875 107.1 54.9 -66.4 -36.2 13.9 -2.5 -19.8 218 88 B R H X S+ 0 0 37 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.923 109.4 45.9 -59.7 -45.3 11.0 -1.1 -22.0 219 89 B I H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.929 112.7 50.5 -69.2 -38.5 9.3 0.2 -19.0 220 90 B L H X S+ 0 0 31 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.939 111.3 49.6 -60.5 -40.0 12.6 1.7 -17.6 221 91 B C H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.880 107.2 54.2 -69.8 -34.3 13.2 3.3 -20.9 222 92 B Y H X S+ 0 0 3 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.957 113.3 42.0 -58.2 -50.4 9.7 4.9 -21.0 223 93 B F H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.836 113.3 52.3 -71.0 -33.1 10.3 6.4 -17.6 224 94 B R H X S+ 0 0 53 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.814 107.7 53.2 -66.6 -32.2 13.8 7.5 -18.4 225 95 B A H X S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.891 111.1 45.6 -66.3 -40.4 12.5 9.2 -21.6 226 96 B I H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 3,-0.3 0.941 113.7 49.7 -67.5 -45.7 9.9 11.1 -19.4 227 97 B A H X S+ 0 0 4 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.920 107.2 55.0 -62.8 -43.4 12.7 11.9 -16.9 228 98 B A H X S+ 0 0 19 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.874 108.2 47.8 -62.7 -35.2 15.0 13.2 -19.7 229 99 B L H X S+ 0 0 23 -4,-1.5 4,-2.4 -3,-0.3 5,-0.2 0.878 110.6 51.6 -70.8 -40.8 12.4 15.7 -21.0 230 100 B I H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 6,-0.5 0.953 113.0 46.3 -57.3 -47.0 11.7 16.9 -17.4 231 101 B E H X S+ 0 0 71 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.921 112.6 50.1 -63.4 -44.4 15.5 17.5 -17.0 232 102 B K H < S+ 0 0 139 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.890 117.5 38.5 -60.3 -43.2 15.7 19.2 -20.5 233 103 B E H < S+ 0 0 149 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.752 130.9 25.0 -87.2 -23.1 12.9 21.6 -19.9 234 104 B T H < S- 0 0 39 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.595 91.0-125.2-114.1 -17.6 13.5 22.4 -16.2 235 105 B G < + 0 0 60 -4,-2.4 2,-0.5 -5,-0.3 -4,-0.2 0.302 63.5 138.9 83.7 -7.0 17.2 21.8 -15.5 236 106 B L - 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