==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-JUN-07 2QAJ . COMPND 2 MOLECULE: ADENYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR R.COUNAGO,C.J.WILSON,J.MYERS,G.WU,Y.SHAMOO . 432 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21283.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 307 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.5 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-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 . 22 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 39.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 2 0 0 0 2 3 5 0 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 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 . 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 23 0, 0.0 80,-1.3 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 87.9 -9.3 70.2 62.1 2 2 A N E +a 81 0A 0 78,-0.3 106,-2.7 104,-0.2 107,-1.3 -0.881 360.0 175.3-103.6 110.8 -6.3 71.9 60.5 3 3 A L E -ab 82 109A 0 78,-2.7 80,-2.9 -2,-0.7 2,-0.4 -0.856 24.4-162.0-123.2 153.3 -4.0 69.5 58.7 4 4 A V E -ab 83 110A 1 105,-1.9 107,-3.6 -2,-0.3 2,-0.5 -0.995 11.3-156.9-129.0 133.7 -0.9 69.4 56.6 5 5 A L E +ab 84 111A 3 78,-2.7 80,-1.9 -2,-0.4 81,-0.4 -0.955 18.0 172.7-112.9 126.5 0.0 66.5 54.4 6 6 A M E + b 0 112A 12 105,-2.6 107,-2.7 -2,-0.5 2,-0.2 -0.917 11.1 128.4-131.6 159.6 3.6 66.0 53.3 7 7 A G - 0 0 13 -2,-0.3 3,-0.1 105,-0.2 107,-0.1 -0.827 55.8 -75.6 166.0 157.5 5.6 63.3 51.5 8 8 A L S > S- 0 0 27 105,-0.4 3,-2.6 -2,-0.2 4,-0.2 -0.282 75.5 -64.0 -67.8 158.9 8.0 62.6 48.7 9 9 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.2 0, 0.0 115,-0.2 -0.168 126.8 11.4 -46.0 122.9 6.7 62.7 45.1 10 10 A G T 3 S+ 0 0 22 -3,-0.1 -2,-0.1 113,-0.1 0, 0.0 0.464 83.7 128.3 86.6 2.1 4.2 59.9 44.7 11 11 A A S < S- 0 0 3 -3,-2.6 -3,-0.1 1,-0.1 105,-0.0 0.712 84.7 -98.4 -63.9 -20.8 3.9 59.0 48.4 12 12 A G S > S+ 0 0 16 -4,-0.2 4,-2.7 -5,-0.1 5,-0.3 0.677 72.2 144.4 113.2 21.9 0.1 59.2 48.2 13 13 A K H > S+ 0 0 22 -5,-0.2 4,-3.1 1,-0.2 5,-0.2 0.925 80.2 45.1 -57.0 -47.7 -1.0 62.6 49.4 14 14 A G H > S+ 0 0 36 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.920 112.6 50.8 -62.8 -43.9 -3.8 62.9 46.9 15 15 A T H > S+ 0 0 24 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.942 117.8 38.3 -59.7 -50.1 -5.0 59.3 47.5 16 16 A Q H >X S+ 0 0 6 -4,-2.7 4,-1.9 1,-0.2 3,-0.8 0.897 112.2 57.9 -69.1 -40.0 -5.1 59.8 51.3 17 17 A G H 3X S+ 0 0 0 -4,-3.1 4,-2.4 -5,-0.3 5,-0.3 0.849 97.7 62.3 -58.9 -35.1 -6.4 63.3 51.1 18 18 A E H 3X S+ 0 0 50 -4,-2.0 4,-1.0 1,-0.2 -1,-0.3 0.852 106.2 45.4 -59.4 -36.4 -9.4 62.1 49.1 19 19 A R H -c 84 0A 12 -2,-0.7 4,-2.4 53,-0.2 55,-0.2 -0.914 21.3-161.3-106.7 117.4 -3.1 71.1 47.0 31 31 A T H > S+ 0 0 5 53,-1.3 4,-2.6 -2,-0.6 5,-0.2 0.877 94.5 56.1 -64.7 -35.2 -0.7 73.7 45.7 32 32 A G H > S+ 0 0 20 52,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.931 109.8 45.0 -60.8 -45.3 0.3 71.4 42.9 33 33 A D H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.897 112.3 52.0 -64.8 -41.3 -3.3 71.2 41.8 34 34 A M H X S+ 0 0 52 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.893 110.5 48.3 -62.7 -41.8 -3.7 74.9 42.1 35 35 A F H X S+ 0 0 13 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.919 113.1 46.7 -65.0 -45.3 -0.7 75.5 40.0 36 36 A R H X S+ 0 0 37 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.849 108.8 54.8 -68.0 -32.0 -1.8 73.1 37.3 37 37 A A H X S+ 0 0 45 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.898 110.6 47.4 -65.4 -38.4 -5.3 74.6 37.2 38 38 A A H X>S+ 0 0 8 -4,-1.6 5,-2.0 2,-0.2 4,-1.2 0.884 108.9 54.0 -67.9 -40.8 -3.7 77.9 36.6 39 39 A M H <5S+ 0 0 37 -4,-2.2 3,-0.3 7,-0.2 -2,-0.2 0.918 107.6 50.4 -60.7 -44.6 -1.5 76.5 33.9 40 40 A K H <5S+ 0 0 149 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.916 114.5 42.8 -60.1 -45.0 -4.5 75.1 32.0 41 41 A E H <5S- 0 0 145 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.629 107.9-130.0 -76.0 -14.7 -6.3 78.4 32.2 42 42 A E T <5 + 0 0 145 -4,-1.2 -3,-0.2 -3,-0.3 -4,-0.1 0.872 43.9 168.2 67.1 38.3 -3.1 80.2 31.2 43 43 A T >< - 0 0 46 -5,-2.0 4,-2.3 1,-0.1 5,-0.2 -0.391 52.5-105.5 -75.2 161.4 -3.3 82.8 34.1 44 44 A P H > S+ 0 0 114 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.884 125.0 53.5 -56.3 -35.3 -0.2 84.8 34.7 45 45 A L H > S+ 0 0 45 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.925 107.6 51.1 -63.6 -44.6 0.4 82.7 37.8 46 46 A G H > S+ 0 0 0 -8,-0.3 4,-2.4 1,-0.2 -7,-0.2 0.918 109.1 48.8 -59.7 -46.7 0.1 79.5 35.7 47 47 A L H X S+ 0 0 102 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.893 113.5 47.3 -63.1 -39.2 2.7 80.6 33.1 48 48 A E H X S+ 0 0 109 -4,-1.9 4,-0.6 -5,-0.2 3,-0.3 0.925 115.6 44.0 -68.2 -44.2 5.2 81.6 35.8 49 49 A A H >X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 3,-0.7 0.834 100.9 72.1 -68.9 -33.2 4.8 78.4 37.8 50 50 A K H 3X S+ 0 0 89 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.870 89.2 58.4 -49.5 -47.6 4.9 76.3 34.6 51 51 A S H 3X S+ 0 0 58 -4,-0.9 4,-0.6 -3,-0.3 -1,-0.2 0.886 114.2 38.0 -53.7 -41.9 8.6 76.8 34.0 52 52 A Y H XX>S+ 0 0 80 -3,-0.7 5,-2.1 -4,-0.6 3,-0.9 0.949 115.8 50.6 -75.5 -49.0 9.4 75.3 37.4 53 53 A I H ><5S+ 0 0 21 -4,-2.6 3,-1.1 1,-0.3 -2,-0.2 0.894 106.2 54.9 -57.1 -45.3 6.8 72.6 37.5 54 54 A D H 3<5S+ 0 0 63 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.766 111.7 45.4 -62.2 -24.9 7.7 71.2 34.0 55 55 A K H <<5S- 0 0 117 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.514 115.3-114.2 -95.3 -7.1 11.3 70.8 35.2 56 56 A G T <<5S+ 0 0 6 -3,-1.1 -3,-0.2 -4,-0.7 118,-0.2 0.571 73.6 131.3 86.1 8.9 10.4 69.2 38.5 57 57 A E < - 0 0 75 -5,-2.1 -1,-0.3 -6,-0.2 2,-0.2 -0.510 64.9 -95.2 -92.1 162.7 11.7 72.2 40.5 58 58 A L - 0 0 44 -2,-0.2 3,-0.1 -3,-0.1 -1,-0.1 -0.544 36.0-119.1 -76.9 139.6 9.9 74.0 43.3 59 59 A V - 0 0 10 -2,-0.2 -10,-0.1 1,-0.1 -1,-0.1 -0.530 52.1 -80.2 -72.4 145.8 8.0 77.2 42.3 60 60 A P > - 0 0 51 0, 0.0 4,-1.7 0, 0.0 5,-0.2 -0.103 37.5-122.6 -50.1 145.3 9.5 80.2 44.2 61 61 A D H > S+ 0 0 56 1,-0.2 4,-3.3 2,-0.2 5,-0.4 0.915 101.3 57.3 -54.0 -56.2 8.4 80.7 47.8 62 62 A E H > S+ 0 0 174 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.897 111.7 39.5 -47.9 -54.3 7.0 84.2 47.7 63 63 A V H > S+ 0 0 37 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.889 117.3 50.8 -67.4 -36.3 4.4 83.5 45.0 64 64 A T H X S+ 0 0 4 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.947 111.8 45.9 -65.6 -48.2 3.5 80.1 46.4 65 65 A I H X S+ 0 0 34 -4,-3.3 4,-2.8 1,-0.2 5,-0.2 0.921 109.7 59.1 -58.7 -43.3 3.0 81.5 50.0 66 66 A G H X S+ 0 0 39 -4,-2.2 4,-1.5 -5,-0.4 -1,-0.2 0.907 107.4 41.9 -53.1 -51.0 1.0 84.3 48.5 67 67 A I H X S+ 0 0 32 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.803 114.8 52.1 -70.9 -27.6 -1.6 82.1 46.8 68 68 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.912 105.4 54.3 -72.6 -41.1 -1.8 79.8 49.9 69 69 A K H < S+ 0 0 116 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.907 110.7 47.2 -56.3 -44.8 -2.4 82.7 52.3 70 70 A E H >< S+ 0 0 125 -4,-1.5 3,-0.9 -5,-0.2 4,-0.3 0.912 112.0 50.2 -63.2 -46.1 -5.4 83.8 50.1 71 71 A R H >< S+ 0 0 62 -4,-1.7 3,-1.6 1,-0.2 -2,-0.2 0.887 104.9 54.5 -62.8 -43.5 -6.8 80.3 50.0 72 72 A L T 3< S+ 0 0 4 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.604 101.7 63.5 -68.6 -9.2 -6.7 79.6 53.7 73 73 A G T < S+ 0 0 34 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.588 78.0 111.6 -90.1 -11.4 -8.7 82.8 54.2 74 74 A K S X S- 0 0 111 -3,-1.6 3,-1.6 -4,-0.3 4,-0.1 -0.162 80.7-112.9 -62.0 156.7 -11.8 81.6 52.3 75 75 A D G > S+ 0 0 148 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.851 111.6 68.1 -58.3 -37.3 -15.0 80.9 54.2 76 76 A D G 3 S+ 0 0 61 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.474 89.1 65.2 -65.6 -0.7 -14.8 77.2 53.5 77 77 A C G X + 0 0 2 -3,-1.6 3,-1.5 1,-0.2 -1,-0.3 0.329 70.0 103.7-101.6 7.4 -11.7 76.9 55.8 78 78 A E T < S+ 0 0 132 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.869 86.7 37.7 -54.9 -43.1 -13.8 77.9 58.9 79 79 A R T 3 S- 0 0 173 1,-0.4 -1,-0.3 -3,-0.2 2,-0.2 0.255 130.9 -74.7 -96.1 13.0 -14.0 74.3 60.2 80 80 A G < - 0 0 0 -3,-1.5 -1,-0.4 -78,-0.1 2,-0.3 -0.676 46.2-124.9 123.9-179.5 -10.5 73.4 59.2 81 81 A F E -a 2 0A 0 -80,-1.3 -78,-2.7 -2,-0.2 2,-0.5 -0.973 8.9-128.4-160.1 166.9 -8.5 72.6 56.0 82 82 A L E -ac 3 28A 0 -55,-2.3 -53,-3.7 -2,-0.3 2,-0.4 -0.881 21.9-160.7-128.8 97.7 -6.2 70.0 54.4 83 83 A L E -ac 4 29A 0 -80,-2.9 -78,-2.7 -2,-0.5 2,-0.5 -0.655 9.2-168.0 -79.0 132.9 -3.0 71.4 53.0 84 84 A D E -ac 5 30A 11 -55,-3.5 -53,-1.3 -2,-0.4 -52,-0.5 -0.940 68.5 -3.5-127.8 108.4 -1.4 69.1 50.5 85 85 A G S S+ 0 0 3 -80,-1.9 -79,-0.1 -2,-0.5 -1,-0.1 0.578 101.0 133.2 89.7 5.8 2.1 69.7 49.2 86 86 A F + 0 0 0 -81,-0.4 -81,-0.3 -57,-0.2 -1,-0.2 -0.982 54.0 28.8-143.9 131.5 2.5 72.9 51.2 87 87 A P + 0 0 4 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.586 63.7 154.0 -82.5 165.7 4.7 73.7 52.9 88 88 A R + 0 0 58 1,-0.2 2,-0.3 -2,-0.1 94,-0.1 0.122 64.2 51.7-139.5 21.8 7.7 71.9 51.3 89 89 A T S > S- 0 0 9 1,-0.1 4,-2.0 92,-0.1 3,-0.2 -0.957 85.2-118.1-150.2 150.2 10.5 74.3 52.4 90 90 A V H > S+ 0 0 44 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.898 115.9 57.3 -59.9 -38.6 11.3 75.6 55.8 91 91 A A H > S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.883 106.4 48.8 -59.6 -39.7 10.6 79.1 54.6 92 92 A Q H > S+ 0 0 3 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.904 111.1 50.0 -68.0 -38.7 7.1 78.1 53.6 93 93 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.910 111.4 48.1 -65.1 -43.7 6.5 76.4 57.0 94 94 A E H X S+ 0 0 109 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.917 113.1 48.9 -63.3 -41.4 7.7 79.5 58.8 95 95 A A H X S+ 0 0 15 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.890 107.2 54.9 -64.5 -40.5 5.5 81.7 56.6 96 96 A L H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.852 101.9 59.3 -61.2 -35.4 2.5 79.4 57.3 97 97 A E H X S+ 0 0 57 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.950 109.0 42.7 -57.6 -50.1 3.1 79.9 61.0 98 98 A E H X S+ 0 0 136 -4,-1.5 4,-2.1 2,-0.2 3,-0.3 0.956 114.2 51.4 -60.2 -52.4 2.6 83.6 60.6 99 99 A I H X S+ 0 0 10 -4,-2.6 4,-1.7 1,-0.3 -2,-0.2 0.923 113.4 43.0 -51.1 -53.1 -0.4 83.2 58.2 100 100 A L H X>S+ 0 0 4 -4,-3.1 5,-2.9 1,-0.2 4,-0.7 0.755 109.6 58.4 -68.6 -23.5 -2.2 80.8 60.6 101 101 A E H <5S+ 0 0 144 -4,-1.6 -1,-0.2 -3,-0.3 3,-0.2 0.884 107.9 46.6 -71.2 -37.7 -1.4 83.0 63.6 102 102 A E H <5S+ 0 0 167 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.843 115.7 45.7 -71.2 -34.5 -3.2 85.9 61.8 103 103 A Y H <5S- 0 0 85 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.545 108.5-124.3 -85.2 -9.2 -6.1 83.6 61.0 104 104 A G T <5S+ 0 0 20 -4,-0.7 -3,-0.2 -3,-0.2 -4,-0.1 0.926 71.8 125.1 65.1 42.9 -6.3 82.1 64.5 105 105 A K < - 0 0 20 -5,-2.9 -1,-0.1 -6,-0.1 -2,-0.1 -0.751 42.2-165.8-138.2 90.3 -5.9 78.6 63.1 106 106 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 -104,-0.2 -0.375 31.9-100.6 -74.0 152.3 -3.1 76.5 64.5 107 107 A I - 0 0 2 1,-0.2 -104,-0.2 -2,-0.1 3,-0.1 -0.582 28.7-168.1 -75.2 128.3 -1.9 73.3 62.8 108 108 A D S S- 0 0 36 -106,-2.7 2,-0.3 -2,-0.3 -105,-0.2 0.898 70.3 -3.6 -82.2 -42.8 -3.3 70.2 64.5 109 109 A Y E -b 3 0A 39 -107,-1.3 -105,-1.9 2,-0.0 2,-0.7 -0.994 48.2-151.0-152.4 143.0 -1.1 67.7 62.7 110 110 A V E -bd 4 192A 0 81,-2.4 83,-3.1 -2,-0.3 2,-0.7 -0.979 29.4-155.1-109.9 112.1 1.5 67.6 60.0 111 111 A I E -bd 5 193A 1 -107,-3.6 -105,-2.6 -2,-0.7 2,-0.7 -0.836 5.6-161.0 -98.3 113.3 1.0 64.1 58.6 112 112 A N E -bd 6 194A 12 81,-2.5 83,-2.7 -2,-0.7 2,-1.3 -0.835 6.7-153.2 -95.5 114.2 4.1 62.7 56.9 113 113 A I E - d 0 195A 4 -107,-2.7 2,-0.4 -2,-0.7 -105,-0.4 -0.726 19.8-152.8 -88.5 94.4 3.3 59.8 54.6 114 114 A E E + d 0 196A 118 81,-2.1 83,-2.4 -2,-1.3 84,-0.4 -0.572 26.1 160.0 -77.4 121.0 6.6 57.9 54.7 115 115 A V - 0 0 8 -2,-0.4 -107,-0.2 82,-0.2 5,-0.1 -0.994 46.6-102.9-141.0 132.2 7.4 55.8 51.6 116 116 A D > - 0 0 70 -2,-0.4 3,-2.0 1,-0.2 4,-0.4 -0.312 25.9-132.2 -56.3 129.4 10.9 54.6 50.6 117 117 A K G >> S+ 0 0 101 1,-0.3 3,-1.3 2,-0.2 4,-0.6 0.792 100.4 73.1 -53.4 -30.2 12.3 56.8 47.8 118 118 A D G 34 S+ 0 0 113 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.635 100.2 40.5 -61.7 -19.9 13.2 53.5 46.0 119 119 A V G <> S+ 0 0 52 -3,-2.0 4,-1.4 2,-0.1 -1,-0.3 0.358 92.5 85.5-111.3 4.7 9.6 52.7 45.1 120 120 A L H <> S+ 0 0 0 -3,-1.3 4,-2.1 -4,-0.4 5,-0.2 0.803 81.4 60.4 -76.4 -29.3 8.4 56.2 44.1 121 121 A M H X S+ 0 0 53 -4,-0.6 4,-2.6 1,-0.2 5,-0.3 0.938 107.0 47.1 -62.7 -44.4 9.6 56.0 40.6 122 122 A E H > S+ 0 0 95 1,-0.2 4,-1.4 -4,-0.2 -1,-0.2 0.886 109.9 53.6 -63.2 -41.2 7.3 53.0 39.9 123 123 A R H < S+ 0 0 53 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.889 114.8 39.8 -62.2 -41.1 4.4 54.7 41.6 124 124 A L H >< S+ 0 0 2 -4,-2.1 3,-1.6 2,-0.2 -2,-0.2 0.933 113.2 48.8 -79.1 -47.6 4.7 57.8 39.4 125 125 A T H 3< S+ 0 0 44 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.825 116.2 47.7 -63.1 -25.4 5.5 56.4 36.0 126 126 A G T 3< S+ 0 0 5 -4,-1.4 13,-2.4 -5,-0.3 -1,-0.3 0.398 89.4 112.8 -93.8 3.5 2.6 54.0 36.5 127 127 A R E < -E 138 0B 38 -3,-1.6 2,-0.4 11,-0.2 11,-0.2 -0.538 42.3-175.3 -80.1 141.7 0.2 56.6 37.6 128 128 A R E -E 137 0B 60 9,-2.2 9,-3.3 -2,-0.2 2,-0.3 -0.994 10.8-154.0-134.5 136.1 -2.8 57.5 35.5 129 129 A I E -EF 136 158B 6 29,-2.9 29,-2.5 -2,-0.4 2,-0.4 -0.886 22.1-108.6-118.6 144.8 -5.2 60.4 36.4 130 130 A a E > - 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0 0 10 -6,-0.3 -1,-0.2 1,-0.1 55,-0.2 -0.715 62.0 -91.5 -91.7 146.1 -19.0 72.1 93.4 244 27 B P - 0 0 21 0, 0.0 55,-2.8 0, 0.0 2,-0.8 -0.302 31.6-136.2 -57.5 128.1 -17.5 73.4 90.0 245 28 B H E -k 299 0D 58 53,-0.2 2,-0.7 -2,-0.1 55,-0.2 -0.796 24.8-174.3 -88.7 111.9 -14.8 71.1 88.5 246 29 B I E +k 300 0D 1 53,-3.0 55,-2.8 -2,-0.8 2,-0.6 -0.859 7.9 173.0-115.1 96.9 -12.1 73.5 87.3 247 30 B S E > -k 301 0D 11 -2,-0.7 4,-2.4 53,-0.2 55,-0.2 -0.912 21.7-158.6-103.9 117.4 -9.4 71.7 85.4 248 31 B T H > S+ 0 0 5 53,-1.5 4,-2.6 -2,-0.6 5,-0.2 0.867 96.3 55.5 -63.3 -33.4 -6.8 74.1 83.8 249 32 B G H > S+ 0 0 18 52,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.890 107.9 48.2 -65.1 -38.9 -5.9 71.3 81.4 250 33 B D H > S+ 0 0 84 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.925 112.1 49.8 -66.0 -43.5 -9.5 71.0 80.3 251 34 B M H X S+ 0 0 54 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.892 110.6 49.7 -62.3 -41.0 -9.7 74.8 79.9 252 35 B F H X S+ 0 0 13 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.935 113.0 45.6 -64.7 -45.9 -6.6 74.9 77.8 253 36 B R H X S+ 0 0 55 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.838 112.0 51.2 -67.9 -32.5 -7.7 72.1 75.5 254 37 B A H X S+ 0 0 34 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.869 110.9 49.8 -70.8 -35.2 -11.2 73.6 75.1 255 38 B A H <>S+ 0 0 6 -4,-1.9 5,-2.1 -5,-0.2 4,-0.4 0.924 112.0 47.1 -67.9 -43.7 -9.5 76.9 74.2 256 39 B M H ><5S+ 0 0 31 -4,-2.4 3,-1.0 7,-0.2 -2,-0.2 0.928 112.2 50.0 -62.0 -46.5 -7.3 75.2 71.7 257 40 B K H 3<5S+ 0 0 134 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.905 114.1 44.3 -58.3 -44.9 -10.3 73.3 70.2 258 41 B E T 3<5S- 0 0 120 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.492 109.3-131.8 -79.0 -4.3 -12.3 76.6 69.9 259 42 B E T < 5 + 0 0 42 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.839 46.4 161.5 56.4 41.1 -9.1 78.2 68.6 260 43 B T >< - 0 0 45 -5,-2.1 4,-2.3 -6,-0.1 5,-0.2 -0.406 56.5-100.6 -85.2 165.9 -9.3 81.3 70.8 261 44 B P H > S+ 0 0 105 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.872 125.1 52.0 -53.2 -39.7 -6.2 83.5 71.5 262 45 B L H > S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.940 108.8 50.2 -61.9 -48.8 -5.7 81.8 74.8 263 46 B G H > S+ 0 0 0 -8,-0.3 4,-1.8 1,-0.2 -7,-0.2 0.874 110.0 50.2 -58.3 -40.0 -5.7 78.4 73.2 264 47 B L H X S+ 0 0 37 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.851 110.6 48.5 -70.2 -33.8 -3.2 79.5 70.5 265 48 B E H < S+ 0 0 129 -4,-1.9 4,-0.3 -5,-0.2 -2,-0.2 0.880 115.4 45.1 -72.3 -36.6 -0.8 80.9 73.1 266 49 B A H >X S+ 0 0 1 -4,-2.2 4,-2.5 -5,-0.2 3,-1.2 0.766 95.3 78.5 -77.4 -27.6 -1.0 77.7 75.2 267 50 B K H 3X S+ 0 0 16 -4,-1.8 4,-2.9 1,-0.3 5,-0.3 0.906 85.7 57.6 -46.6 -57.4 -0.7 75.3 72.3 268 51 B S H 3< S+ 0 0 51 -4,-0.7 4,-0.3 1,-0.2 -1,-0.3 0.756 115.9 37.1 -48.5 -31.8 3.1 75.6 71.8 269 52 B Y H X>>S+ 0 0 89 -3,-1.2 5,-1.9 -4,-0.3 4,-1.0 0.911 115.8 49.1 -87.6 -51.6 3.6 74.5 75.5 270 53 B I H ><5S+ 0 0 25 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.880 106.0 58.4 -56.7 -41.5 0.8 71.9 75.8 271 54 B D T 3<5S+ 0 0 21 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.1 0.783 112.0 41.3 -59.6 -28.8 1.8 70.1 72.6 272 55 B K T <45S- 0 0 52 -3,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.540 115.9-111.4 -96.5 -10.9 5.3 69.5 74.0 273 56 B G T <<5S+ 0 0 6 -4,-1.0 -3,-0.2 -3,-0.7 118,-0.2 0.505 73.2 136.6 91.6 4.0 4.2 68.6 77.5 274 57 B E < - 0 0 73 -5,-1.9 -1,-0.3 -6,-0.2 2,-0.3 -0.366 62.4 -96.3 -80.0 163.6 5.7 71.8 78.9 275 58 B L - 0 0 42 -3,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.592 35.5-118.3 -80.4 140.5 3.9 73.9 81.5 276 59 B V - 0 0 12 -2,-0.3 -10,-0.1 1,-0.1 -1,-0.1 -0.558 50.6 -84.9 -72.6 143.9 2.0 76.9 80.2 277 60 B P > - 0 0 54 0, 0.0 4,-1.5 0, 0.0 5,-0.2 -0.099 35.1-121.9 -50.3 149.2 3.5 80.1 81.7 278 61 B D H > S+ 0 0 57 1,-0.2 4,-3.6 2,-0.2 5,-0.5 0.949 101.4 62.3 -58.5 -56.5 2.3 81.2 85.1 279 62 B E H > S+ 0 0 177 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.858 111.0 36.5 -38.5 -57.8 1.0 84.7 84.3 280 63 B V H > S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.897 118.1 51.1 -67.8 -39.4 -1.7 83.5 81.8 281 64 B T H X S+ 0 0 6 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.945 112.7 45.0 -63.5 -48.8 -2.6 80.4 83.8 282 65 B I H X S+ 0 0 34 -4,-3.6 4,-2.7 1,-0.2 5,-0.2 0.915 111.1 58.2 -59.2 -41.5 -3.0 82.3 87.0 283 66 B G H X S+ 0 0 38 -4,-2.1 4,-1.6 -5,-0.5 -2,-0.2 0.888 106.5 44.2 -56.9 -44.8 -5.0 84.9 85.0 284 67 B I H X S+ 0 0 25 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.884 113.7 51.1 -71.3 -35.9 -7.6 82.4 83.7 285 68 B V H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.933 107.4 52.4 -64.9 -46.1 -8.0 80.8 87.2 286 69 B K H < S+ 0 0 96 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.917 113.5 45.3 -54.8 -44.6 -8.5 84.2 88.9 287 70 B E H >< S+ 0 0 146 -4,-1.6 3,-1.3 -5,-0.2 4,-0.2 0.945 113.7 48.3 -64.5 -50.4 -11.2 85.0 86.3 288 71 B R H >< S+ 0 0 41 -4,-2.7 3,-2.0 1,-0.3 -2,-0.2 0.924 107.3 54.4 -57.1 -49.4 -12.9 81.6 86.6 289 72 B L T 3< S+ 0 0 1 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.542 97.3 68.6 -65.2 -5.8 -13.0 81.6 90.4 290 73 B G T < S+ 0 0 38 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.537 78.7 106.1 -90.2 -6.5 -14.8 84.9 90.3 291 74 B K S X S- 0 0 108 -3,-2.0 3,-1.2 -4,-0.2 4,-0.1 -0.230 82.4-113.4 -71.1 161.9 -17.9 83.4 88.8 292 75 B D G > S+ 0 0 135 1,-0.2 3,-1.6 2,-0.2 4,-0.2 0.785 110.0 67.4 -66.6 -29.2 -21.1 82.9 90.8 293 76 B D G 3 S+ 0 0 69 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.595 94.5 59.6 -69.8 -8.1 -20.9 79.1 90.7 294 77 B C G X S+ 0 0 0 -3,-1.2 3,-1.1 1,-0.2 -1,-0.3 0.353 76.3 97.1 -99.0 4.9 -17.8 79.2 92.9 295 78 B E T < S+ 0 0 101 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.827 89.2 37.9 -63.3 -35.1 -19.7 80.9 95.7 296 79 B R T 3 S- 0 0 190 1,-0.4 -1,-0.2 -3,-0.3 2,-0.2 0.177 131.1 -60.6-104.2 17.6 -20.3 77.7 97.7 297 80 B G < - 0 0 0 -3,-1.1 -1,-0.4 -78,-0.0 2,-0.3 -0.585 50.2-144.9 127.2 168.8 -17.1 76.0 97.0 298 81 B F E -i 219 0D 0 -80,-1.8 -78,-2.7 -55,-0.2 2,-0.5 -0.985 13.0-130.9-165.3 163.1 -15.0 74.7 94.0 299 82 B L E -ik 220 245D 0 -55,-2.8 -53,-3.0 -2,-0.3 2,-0.2 -0.865 19.8-163.4-128.6 96.6 -12.6 71.9 92.9 300 83 B L E -ik 221 246D 0 -80,-2.6 -78,-2.1 -2,-0.5 2,-0.4 -0.586 9.6-166.8 -76.4 140.6 -9.4 73.1 91.2 301 84 B D E +ik 222 247D 9 -55,-2.8 -53,-1.5 -2,-0.2 -52,-0.5 -0.977 68.4 2.3-135.6 118.0 -7.7 70.4 89.3 302 85 B G S S+ 0 0 2 -80,-1.6 -79,-0.1 -2,-0.4 -55,-0.1 0.532 103.4 131.8 85.5 3.0 -4.2 70.6 87.9 303 86 B F + 0 0 0 -81,-0.4 -81,-0.3 1,-0.2 2,-0.1 -0.983 55.3 24.1-147.7 134.7 -3.8 74.1 89.5 304 87 B P + 0 0 2 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.624 67.4 156.0 -80.9 164.7 -1.8 75.2 91.1 305 88 B R + 0 0 61 -2,-0.1 2,-0.3 1,-0.1 94,-0.1 0.120 62.7 52.1-136.0 20.9 1.1 73.0 90.0 306 89 B T S > S- 0 0 7 92,-0.1 4,-2.0 93,-0.1 3,-0.2 -0.966 84.7-118.4-149.8 148.4 4.0 75.3 90.8 307 90 B V H > S+ 0 0 38 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.860 115.3 58.1 -58.6 -35.0 4.8 77.2 94.0 308 91 B A H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.915 107.7 44.6 -61.2 -44.8 4.4 80.5 92.1 309 92 B Q H > S+ 0 0 4 -3,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.858 112.3 54.7 -68.0 -32.9 0.9 79.6 91.1 310 93 B A H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.912 108.5 46.2 -66.9 -43.4 0.2 78.5 94.7 311 94 B E H X S+ 0 0 98 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.922 113.1 51.2 -65.4 -41.9 1.3 81.8 96.2 312 95 B A H X S+ 0 0 17 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.904 107.2 52.2 -61.1 -44.7 -0.7 83.7 93.7 313 96 B L H X S+ 0 0 2 -4,-2.4 4,-3.3 1,-0.2 5,-0.3 0.864 102.9 59.9 -61.9 -36.2 -3.9 81.7 94.4 314 97 B E H X S+ 0 0 37 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.938 108.2 43.9 -57.0 -46.8 -3.5 82.4 98.1 315 98 B E H X S+ 0 0 133 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.930 114.3 50.3 -62.9 -47.3 -3.7 86.2 97.4 316 99 B I H X S+ 0 0 9 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.904 114.2 43.7 -58.6 -45.1 -6.6 85.6 95.0 317 100 B L H X>S+ 0 0 4 -4,-3.3 5,-2.5 2,-0.2 4,-1.2 0.828 111.1 52.3 -73.0 -32.7 -8.6 83.5 97.5 318 101 B E H <5S+ 0 0 148 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.864 112.8 49.1 -68.5 -32.6 -7.9 85.8 100.4 319 102 B E H <5S+ 0 0 132 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.942 115.8 40.2 -68.5 -50.7 -9.2 88.5 98.2 320 103 B Y H <5S- 0 0 76 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.583 109.3-122.2 -75.7 -11.7 -12.4 86.6 97.2 321 104 B G T <5S+ 0 0 55 -4,-1.2 -3,-0.2 -5,-0.2 -4,-0.1 0.862 79.5 117.5 71.5 33.8 -12.8 85.3 100.7 322 105 B K < - 0 0 30 -5,-2.5 -4,-0.2 -6,-0.1 3,-0.1 -0.432 43.8-178.0-130.8 59.1 -12.7 81.7 99.5 323 106 B P - 0 0 78 0, 0.0 -104,-0.3 0, 0.0 -9,-0.1 -0.206 35.7 -94.3 -60.6 147.3 -9.6 80.2 101.2 324 107 B I - 0 0 22 1,-0.1 -104,-0.2 -106,-0.1 3,-0.1 -0.321 28.2-166.0 -62.4 138.4 -8.6 76.6 100.5 325 108 B D S S- 0 0 62 -106,-3.5 2,-0.3 1,-0.4 -105,-0.2 0.906 70.1 -16.0 -87.8 -60.5 -9.9 74.0 102.9 326 109 B Y E -j 220 0D 90 -107,-1.0 -105,-1.5 84,-0.0 2,-0.6 -0.998 51.3-136.7-147.9 150.5 -7.6 71.1 101.8 327 110 B V E -jl 221 409D 0 81,-2.9 83,-3.5 -2,-0.3 2,-0.7 -0.934 24.7-149.3-105.1 116.2 -5.3 70.2 98.9 328 111 B I E -jl 222 410D 1 -107,-3.1 -105,-2.6 -2,-0.6 2,-0.7 -0.801 7.6-161.3 -92.0 114.2 -5.8 66.5 98.0 329 112 B N E -jl 223 411D 9 81,-2.5 83,-2.5 -2,-0.7 2,-1.2 -0.854 6.5-152.8 -96.2 113.1 -2.6 65.0 96.7 330 113 B I E - l 0 412D 2 -107,-2.9 -105,-0.4 -2,-0.7 2,-0.4 -0.740 18.1-151.3 -88.6 95.9 -3.4 61.8 94.8 331 114 B E E + l 0 413D 100 81,-2.5 83,-2.5 -2,-1.2 84,-0.5 -0.553 25.4 162.8 -74.9 123.1 -0.2 59.8 95.3 332 115 B V - 0 0 13 -2,-0.4 -107,-0.2 82,-0.2 5,-0.1 -0.984 45.3-104.2-143.1 127.6 0.8 57.4 92.5 333 116 B D > - 0 0 81 -2,-0.4 3,-1.9 1,-0.2 4,-0.3 -0.240 27.2-132.9 -50.6 127.1 4.2 55.8 91.9 334 117 B K G > S+ 0 0 78 1,-0.3 3,-0.6 2,-0.2 4,-0.4 0.671 99.7 70.8 -58.8 -17.1 5.7 57.6 88.9 335 118 B D G 3 S+ 0 0 129 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.530 98.6 44.1 -81.1 -6.8 6.6 54.2 87.5 336 119 B V G <> S+ 0 0 55 -3,-1.9 4,-1.3 2,-0.1 -1,-0.2 0.316 90.8 86.3-116.2 4.7 3.0 53.1 86.6 337 120 B L H <> S+ 0 0 0 -3,-0.6 4,-2.2 -4,-0.3 5,-0.2 0.802 78.2 62.1 -76.8 -31.1 2.0 56.4 85.1 338 121 B M H > S+ 0 0 52 -4,-0.4 4,-2.5 1,-0.2 5,-0.2 0.923 107.8 45.3 -61.1 -42.5 3.2 55.8 81.5 339 122 B E H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.894 108.6 55.1 -68.3 -41.3 0.8 52.8 81.3 340 123 B R H < S+ 0 0 55 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.921 115.8 39.7 -58.1 -42.0 -2.1 54.7 82.7 341 124 B L H >< S+ 0 0 1 -4,-2.2 3,-0.9 2,-0.2 -2,-0.2 0.871 113.1 51.8 -77.6 -37.8 -1.7 57.4 80.1 342 125 B T H 3< S+ 0 0 47 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.875 114.5 44.0 -67.7 -35.6 -0.9 55.2 77.1 343 126 B G T 3< S+ 0 0 3 -4,-2.2 13,-2.6 -5,-0.2 -1,-0.2 0.362 89.8 120.5 -89.2 5.5 -3.9 53.1 77.7 344 127 B R E < -M 355 0E 33 -3,-0.9 2,-0.4 11,-0.2 11,-0.3 -0.495 38.0-178.0 -74.4 138.4 -6.1 56.1 78.3 345 128 B R E -M 354 0E 48 9,-2.8 9,-2.8 -2,-0.2 2,-0.4 -0.998 9.0-159.6-136.2 129.4 -9.1 56.6 76.0 346 129 B I E -MN 353 375E 10 29,-2.7 29,-2.1 -2,-0.4 2,-0.4 -0.900 20.8-114.0-121.9 144.5 -11.4 59.6 76.4 347 130 B C E > - 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