==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-JUL-13 4LLC . COMPND 2 MOLECULE: PROBABLE TWO-COMPONENT SENSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR K.TAN,G.CHHOR,R.JEDRZEJCZAK,A.JOACHIMIAK,MIDWEST CENTER FOR . 244 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13129.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 81.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 5 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 73.0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 2 0 0 0 2 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 45 A R 0 0 156 0, 0.0 115,-0.1 0, 0.0 116,-0.1 0.000 360.0 360.0 360.0 -41.0 24.0 47.4 3.3 2 46 A X >> + 0 0 56 114,-0.1 3,-1.2 2,-0.1 4,-1.2 0.693 360.0 76.0-131.5 -38.2 24.5 43.6 3.3 3 47 A S H 3> S+ 0 0 98 1,-0.3 4,-1.4 2,-0.2 3,-0.2 0.839 93.8 58.7 -59.9 -32.8 28.0 42.3 2.8 4 48 A H H 3> S+ 0 0 42 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.809 100.7 56.5 -67.4 -28.1 29.1 43.2 6.4 5 49 A H H <> S+ 0 0 10 -3,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.867 103.9 53.7 -67.4 -35.9 26.3 40.9 7.8 6 50 A Y H X S+ 0 0 126 -4,-1.2 4,-2.0 -3,-0.2 -2,-0.2 0.865 105.5 53.7 -65.9 -35.7 27.7 38.0 5.8 7 51 A A H X S+ 0 0 55 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.906 106.6 52.2 -62.7 -42.8 31.1 38.7 7.4 8 52 A T H X S+ 0 0 4 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.910 107.0 52.5 -61.8 -41.4 29.4 38.5 10.9 9 53 A I H X S+ 0 0 35 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.937 110.0 49.3 -57.6 -45.6 27.9 35.2 10.0 10 54 A E H X S+ 0 0 109 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.868 107.4 53.9 -63.0 -39.0 31.4 34.0 9.0 11 55 A V H X S+ 0 0 20 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.946 110.1 47.7 -59.3 -47.7 32.9 35.3 12.3 12 56 A S H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.896 110.4 51.3 -61.2 -43.0 30.4 33.3 14.3 13 57 A Q H X S+ 0 0 48 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.885 111.3 47.7 -62.9 -41.9 31.0 30.1 12.2 14 58 A Q H X S+ 0 0 84 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.906 111.6 50.3 -63.8 -45.7 34.7 30.3 12.8 15 59 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.911 109.1 52.4 -58.2 -43.0 34.2 30.9 16.5 16 60 A E H X S+ 0 0 54 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.883 109.7 48.6 -62.3 -39.0 31.9 27.9 16.7 17 61 A Q H X S+ 0 0 75 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.936 113.5 46.5 -65.7 -44.9 34.6 25.7 15.0 18 62 A L H X S+ 0 0 22 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.847 110.4 52.8 -66.4 -35.0 37.3 27.0 17.4 19 63 A L H X S+ 0 0 6 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.920 108.8 51.0 -63.5 -44.7 35.0 26.4 20.4 20 64 A G H X S+ 0 0 9 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.894 107.5 52.6 -56.6 -45.1 34.4 22.9 19.2 21 65 A D H X S+ 0 0 45 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.911 109.7 49.8 -56.8 -46.5 38.2 22.4 18.9 22 66 A Q H X S+ 0 0 5 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.923 110.7 48.2 -59.5 -45.7 38.6 23.6 22.5 23 67 A L H X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.917 110.2 52.3 -62.2 -44.5 35.8 21.2 23.8 24 68 A V H X S+ 0 0 17 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.912 112.2 45.8 -57.5 -45.3 37.4 18.3 21.9 25 69 A I H >< S+ 0 0 25 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.959 112.4 49.8 -61.7 -51.0 40.8 19.0 23.5 26 70 A L H 3< S+ 0 0 25 -4,-2.9 186,-0.5 1,-0.3 -1,-0.2 0.762 104.6 60.9 -61.0 -25.5 39.3 19.5 27.0 27 71 A L H 3< S+ 0 0 6 -4,-1.8 186,-2.6 -5,-0.2 -1,-0.3 0.640 85.7 95.8 -77.9 -14.5 37.4 16.1 26.7 28 72 A R S << S- 0 0 83 -3,-1.5 184,-0.5 -4,-0.5 186,-0.0 -0.334 81.2-123.0 -77.4 159.7 40.6 14.1 26.3 29 73 A E S S+ 0 0 108 1,-0.3 -1,-0.1 183,-0.2 183,-0.0 0.883 109.1 24.9 -71.5 -37.9 42.2 12.3 29.2 30 74 A T S S- 0 0 73 -5,-0.0 -1,-0.3 2,-0.0 52,-0.1 -0.758 86.8-162.0-124.9 82.9 45.6 14.1 28.7 31 75 A P - 0 0 19 0, 0.0 2,-0.6 0, 0.0 -5,-0.1 -0.372 23.5-115.6 -66.5 143.1 44.7 17.4 26.9 32 76 A D > - 0 0 98 1,-0.2 4,-2.5 2,-0.0 5,-0.2 -0.734 19.1-154.1 -84.1 118.1 47.7 19.1 25.2 33 77 A G H > S+ 0 0 38 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.857 91.8 49.5 -60.8 -40.6 48.4 22.4 26.8 34 78 A Q H > S+ 0 0 152 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.924 112.1 47.9 -67.7 -42.2 50.0 24.0 23.8 35 79 A A H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.917 111.9 50.8 -63.8 -41.8 47.1 23.0 21.5 36 80 A L H X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.944 111.3 47.3 -60.9 -46.1 44.6 24.3 24.0 37 81 A E H X S+ 0 0 116 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.900 111.3 51.3 -64.0 -38.9 46.3 27.7 24.4 38 82 A R H X S+ 0 0 141 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.913 110.4 49.1 -64.0 -41.6 46.6 28.0 20.6 39 83 A S H X S+ 0 0 15 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.879 113.4 46.4 -65.2 -38.4 42.9 27.3 20.2 40 84 A Q H X S+ 0 0 23 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.916 113.4 48.3 -69.5 -43.9 42.0 29.8 22.9 41 85 A N H X S+ 0 0 64 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.888 113.2 48.6 -66.1 -38.4 44.3 32.5 21.4 42 86 A D H X S+ 0 0 39 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.896 109.2 51.6 -67.7 -42.4 42.9 31.9 18.0 43 87 A F H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.962 113.4 46.1 -55.0 -50.5 39.3 32.1 19.2 44 88 A R H X S+ 0 0 83 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.908 111.2 52.0 -60.0 -45.7 40.2 35.4 20.9 45 89 A R H X S+ 0 0 116 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.942 112.7 44.4 -53.1 -53.6 42.0 36.7 17.7 46 90 A V H X S+ 0 0 24 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.912 116.1 47.6 -60.3 -43.8 39.0 35.9 15.5 47 91 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.3 -2,-0.2 0.939 115.8 42.5 -63.0 -48.9 36.5 37.4 18.0 48 92 A E H X S+ 0 0 58 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.867 116.5 46.0 -73.3 -37.1 38.5 40.6 18.6 49 93 A Q H X S+ 0 0 127 -4,-2.6 4,-1.5 -5,-0.3 -1,-0.2 0.892 114.2 52.1 -67.2 -36.9 39.4 41.2 14.9 50 94 A G H X S+ 0 0 6 -4,-2.0 4,-0.8 -5,-0.3 3,-0.3 0.938 110.9 45.8 -62.2 -48.0 35.8 40.5 14.2 51 95 A R H >< S+ 0 0 59 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.898 109.7 54.1 -62.2 -42.5 34.6 43.0 16.8 52 96 A A H 3< S+ 0 0 77 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.819 115.1 41.1 -63.5 -29.1 37.0 45.6 15.5 53 97 A N H 3< S+ 0 0 128 -4,-1.5 2,-0.3 -3,-0.3 -1,-0.2 0.467 84.9 116.2 -97.5 -4.7 35.7 45.3 12.0 54 98 A T << - 0 0 12 -3,-0.8 -49,-0.1 -4,-0.8 6,-0.0 -0.503 38.5-176.7 -72.1 125.1 31.9 45.0 12.8 55 99 A V + 0 0 87 -2,-0.3 2,-0.3 -51,-0.1 -1,-0.2 0.867 57.5 85.0 -91.4 -37.1 30.0 47.9 11.3 56 100 A D S > S- 0 0 50 1,-0.1 4,-2.1 -52,-0.1 5,-0.1 -0.487 70.4-144.6 -71.3 129.0 26.4 47.1 12.6 57 101 A S H > S+ 0 0 92 -2,-0.3 4,-1.8 1,-0.2 -1,-0.1 0.842 97.8 49.7 -63.8 -39.2 25.9 48.5 16.1 58 102 A A H > S+ 0 0 52 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.824 110.5 50.9 -71.4 -32.9 23.7 45.6 17.4 59 103 A E H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.871 106.8 55.1 -71.2 -36.0 26.2 43.1 16.1 60 104 A Q H X S+ 0 0 49 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.921 109.3 47.2 -58.2 -45.6 28.9 44.9 18.0 61 105 A A H X S+ 0 0 61 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.911 111.3 50.6 -63.0 -42.7 26.9 44.6 21.2 62 106 A A H X S+ 0 0 30 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.894 109.0 51.2 -63.1 -40.0 26.3 40.9 20.6 63 107 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.853 106.3 55.5 -66.9 -34.1 30.0 40.3 20.0 64 108 A D H X S+ 0 0 50 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.902 108.4 48.4 -60.8 -40.8 30.7 42.1 23.3 65 109 A G H X S+ 0 0 11 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.874 108.0 54.0 -65.0 -37.5 28.4 39.6 25.0 66 110 A V H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.933 106.7 53.4 -63.2 -41.1 30.2 36.8 23.2 67 111 A R H X S+ 0 0 54 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.941 109.8 46.1 -56.9 -50.1 33.4 38.1 24.6 68 112 A D H X S+ 0 0 98 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.906 113.9 48.8 -60.8 -42.7 32.0 38.1 28.2 69 113 A A H X S+ 0 0 12 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.852 110.9 51.0 -65.6 -35.8 30.6 34.6 27.8 70 114 A Y H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.2 0.923 108.0 51.1 -68.2 -43.1 33.9 33.4 26.4 71 115 A L H X S+ 0 0 64 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.881 108.3 53.9 -61.0 -36.8 35.9 34.8 29.3 72 116 A Q H < S+ 0 0 115 -4,-1.8 4,-0.4 -5,-0.2 -1,-0.2 0.911 112.6 42.9 -63.3 -42.9 33.5 33.0 31.6 73 117 A L H >< S+ 0 0 6 -4,-1.8 3,-1.8 21,-0.2 -2,-0.2 0.940 112.6 51.7 -68.7 -48.6 34.1 29.7 29.8 74 118 A Q H >< S+ 0 0 55 -4,-3.3 3,-2.0 1,-0.3 -1,-0.2 0.818 97.8 68.7 -55.9 -32.4 37.9 30.2 29.6 75 119 A A T 3< S+ 0 0 75 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.753 91.9 61.4 -61.2 -22.4 37.9 31.0 33.4 76 120 A H T < S+ 0 0 38 -3,-1.8 10,-0.3 -4,-0.4 -1,-0.3 0.478 71.8 118.5 -85.4 -1.3 37.0 27.3 33.9 77 121 A T S < S- 0 0 39 -3,-2.0 4,-0.1 -4,-0.2 -3,-0.0 -0.527 72.2-119.8 -66.7 117.9 40.3 26.0 32.3 78 122 A P - 0 0 22 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 -0.274 8.3-130.6 -60.9 143.1 42.1 24.2 35.1 79 123 A A S S+ 0 0 114 1,-0.2 2,-0.5 2,-0.1 -2,-0.0 0.900 106.6 42.0 -58.6 -37.4 45.5 25.6 36.0 80 124 A L S > S- 0 0 126 4,-0.1 3,-1.4 1,-0.1 -1,-0.2 -0.948 81.3-151.9-110.7 118.7 46.7 22.0 35.7 81 125 A L T 3 S+ 0 0 41 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.743 95.3 58.2 -71.2 -21.6 45.2 20.3 32.7 82 126 A E T 3 S+ 0 0 155 -52,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.689 91.0 98.6 -71.5 -19.1 45.4 16.8 34.2 83 127 A A S < S- 0 0 38 -3,-1.4 3,-0.1 1,-0.1 0, 0.0 -0.402 83.7-105.6 -73.5 145.4 43.3 18.2 37.1 84 128 A P - 0 0 104 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 -0.275 44.1 -89.3 -63.3 152.1 39.5 17.6 37.2 85 129 A X - 0 0 42 1,-0.1 3,-0.3 -7,-0.1 -8,-0.1 -0.452 35.5-148.3 -59.2 134.2 37.1 20.4 36.3 86 130 A A S S+ 0 0 107 -10,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.884 85.1 25.9 -77.7 -39.6 36.4 22.3 39.6 87 131 A D > + 0 0 81 -11,-0.2 4,-2.2 1,-0.1 -1,-0.3 -0.831 63.6 175.8-130.2 92.0 32.8 23.4 38.8 88 132 A N H > S+ 0 0 26 -2,-0.4 4,-2.5 -3,-0.3 5,-0.2 0.895 83.0 50.5 -67.1 -41.1 31.1 21.1 36.3 89 133 A D H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 112.8 48.5 -62.6 -40.1 27.7 22.8 36.5 90 134 A G H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.864 110.7 49.1 -65.8 -40.2 29.4 26.1 35.9 91 135 A F H X S+ 0 0 10 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.938 112.1 48.9 -66.4 -45.9 31.4 24.9 33.0 92 136 A S H X S+ 0 0 0 -4,-2.5 4,-2.6 60,-0.3 -2,-0.2 0.919 114.0 47.0 -55.0 -47.3 28.3 23.4 31.4 93 137 A E H X S+ 0 0 109 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.888 112.0 48.5 -66.1 -41.3 26.5 26.7 31.9 94 138 A A H X S+ 0 0 7 -4,-2.5 4,-1.9 2,-0.2 -21,-0.2 0.911 113.2 48.7 -65.1 -43.0 29.3 28.8 30.5 95 139 A F H X S+ 0 0 14 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.937 112.2 48.9 -58.8 -48.1 29.5 26.5 27.5 96 140 A N H X S+ 0 0 46 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.912 110.8 49.4 -59.3 -46.6 25.8 26.7 27.0 97 141 A G H X S+ 0 0 28 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.845 113.0 47.7 -63.3 -36.4 25.7 30.5 27.2 98 142 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 -29,-0.2 -2,-0.2 0.939 112.5 45.8 -71.7 -49.0 28.5 30.9 24.7 99 143 A R H X S+ 0 0 28 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.901 112.3 52.1 -63.6 -37.2 27.2 28.5 22.1 100 144 A L H X S+ 0 0 61 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.883 110.1 49.8 -65.3 -36.7 23.7 30.0 22.3 101 145 A R H X S+ 0 0 123 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.880 109.2 50.5 -67.9 -37.9 25.2 33.5 21.8 102 146 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.917 111.9 48.5 -67.4 -39.1 27.2 32.4 18.8 103 147 A Q H X S+ 0 0 38 -4,-2.2 4,-2.0 1,-0.2 3,-0.2 0.937 111.6 49.0 -64.2 -46.1 24.0 30.9 17.3 104 148 A D H X S+ 0 0 88 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.820 103.7 60.7 -64.8 -29.8 22.0 34.1 18.0 105 149 A L H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.927 107.0 46.2 -60.3 -43.2 24.7 36.2 16.4 106 150 A Q H X S+ 0 0 23 -4,-1.4 4,-2.5 -3,-0.2 -2,-0.2 0.903 112.4 49.6 -66.1 -43.0 24.2 34.4 13.2 107 151 A Q H X S+ 0 0 92 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.910 111.0 50.6 -60.4 -43.5 20.4 34.7 13.5 108 152 A L H X S+ 0 0 66 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.903 111.3 48.1 -59.5 -43.1 20.9 38.4 14.2 109 153 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.908 109.1 53.4 -64.9 -42.9 23.1 38.8 11.1 110 154 A L H X S+ 0 0 107 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.876 106.6 52.6 -60.5 -39.2 20.5 36.9 9.0 111 155 A A H X S+ 0 0 41 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.903 108.5 50.3 -64.4 -42.5 17.8 39.3 10.1 112 156 A G H X S+ 0 0 10 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.881 110.8 49.4 -60.5 -41.8 19.9 42.2 9.0 113 157 A I H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.954 110.6 50.5 -60.4 -49.3 20.5 40.6 5.6 114 158 A S H X S+ 0 0 65 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.909 111.8 47.1 -56.7 -45.0 16.8 40.0 5.2 115 159 A E H X S+ 0 0 129 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.857 112.5 49.5 -68.3 -35.5 15.9 43.6 6.0 116 160 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.859 108.7 53.7 -68.7 -36.4 18.6 44.9 3.6 117 161 A E H X S+ 0 0 98 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.946 109.9 47.5 -60.6 -49.4 17.3 42.6 0.9 118 162 A T H < S+ 0 0 65 -4,-2.2 3,-0.4 1,-0.2 4,-0.3 0.928 112.5 48.4 -58.2 -47.8 13.8 44.0 1.3 119 163 A S H >< S+ 0 0 34 -4,-2.1 3,-1.2 1,-0.2 4,-0.5 0.836 104.9 59.4 -63.5 -34.4 15.1 47.6 1.3 120 164 A A H >X S+ 0 0 47 -4,-2.2 3,-0.7 1,-0.2 4,-0.6 0.865 101.0 56.7 -62.1 -34.1 17.1 47.0 -1.8 121 165 A R T 3< S+ 0 0 161 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.556 111.2 42.3 -74.6 -8.9 13.9 46.0 -3.7 122 166 A H T <4 S+ 0 0 141 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.323 96.4 73.4-120.5 6.5 12.3 49.4 -2.9 123 167 A R T <4 0 0 157 -3,-0.7 -2,-0.1 -4,-0.5 -3,-0.1 0.726 360.0 360.0 -88.7 -25.0 15.2 51.7 -3.5 124 168 A A < 0 0 133 -4,-0.6 -3,-0.1 0, 0.0 -4,-0.0 0.282 360.0 360.0-137.0 360.0 14.9 51.2 -7.3 125 !* 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 0.0 126 45 B R 0 0 195 0, 0.0 115,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -36.6 17.4 23.3 -8.1 127 46 B X > + 0 0 75 2,-0.1 4,-2.1 114,-0.1 3,-0.4 0.569 360.0 83.3-116.7 -10.4 18.5 25.0 -4.8 128 47 B S H > S+ 0 0 91 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.860 91.6 51.5 -67.0 -34.1 15.6 24.6 -2.4 129 48 B H H > S+ 0 0 40 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.771 107.0 54.3 -73.4 -25.3 16.7 21.0 -1.4 130 49 B H H > S+ 0 0 14 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.883 107.4 50.9 -71.6 -39.5 20.2 22.3 -0.7 131 50 B Y H X S+ 0 0 117 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.913 105.9 55.5 -58.4 -42.8 18.6 24.9 1.6 132 51 B A H X S+ 0 0 44 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.902 105.5 52.6 -59.4 -40.0 16.7 22.1 3.4 133 52 B T H X S+ 0 0 2 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.865 106.0 52.4 -64.8 -38.4 19.9 20.3 4.0 134 53 B I H X S+ 0 0 19 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.913 110.5 49.7 -60.8 -40.7 21.5 23.4 5.6 135 54 B E H X S+ 0 0 118 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.919 109.3 50.7 -66.2 -41.2 18.4 23.6 7.9 136 55 B V H X S+ 0 0 21 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.925 110.7 48.6 -60.5 -45.9 18.7 19.9 8.9 137 56 B S H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.883 110.4 51.5 -65.1 -38.5 22.4 20.3 9.8 138 57 B Q H X S+ 0 0 85 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.884 110.7 48.0 -63.5 -41.3 21.6 23.4 11.9 139 58 B Q H X S+ 0 0 101 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.929 112.3 49.4 -63.4 -46.0 18.9 21.6 13.8 140 59 B L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.886 110.0 51.5 -60.7 -41.3 21.2 18.6 14.4 141 60 B E H X S+ 0 0 58 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.884 109.3 49.9 -61.1 -40.1 24.0 21.0 15.6 142 61 B Q H X S+ 0 0 80 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.924 113.4 45.8 -66.6 -42.6 21.7 22.7 18.1 143 62 B L H X S+ 0 0 16 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.851 110.9 52.2 -69.1 -36.5 20.5 19.3 19.5 144 63 B L H X S+ 0 0 10 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.927 110.2 49.8 -63.4 -43.6 24.1 18.0 19.7 145 64 B G H X S+ 0 0 11 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.854 107.2 54.5 -61.5 -36.9 24.9 21.1 21.6 146 65 B D H X S+ 0 0 47 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.899 109.1 49.0 -61.5 -41.2 21.9 20.5 23.9 147 66 B Q H X S+ 0 0 5 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.889 108.6 51.3 -70.0 -40.0 23.3 17.0 24.6 148 67 B L H X S+ 0 0 4 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.908 108.9 51.6 -59.9 -46.1 26.8 18.2 25.4 149 68 B V H >X S+ 0 0 15 -4,-1.9 4,-0.7 2,-0.2 3,-0.5 0.951 112.6 45.9 -57.1 -48.4 25.5 20.8 27.9 150 69 B I H >< S+ 0 0 30 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.935 112.1 51.1 -58.1 -47.2 23.5 18.1 29.6 151 70 B L H 3< S+ 0 0 7 -4,-2.8 59,-2.7 1,-0.3 -1,-0.2 0.706 105.4 57.6 -67.2 -21.3 26.4 15.7 29.6 152 71 B L H << S+ 0 0 8 -4,-1.5 -60,-0.3 -3,-0.5 -1,-0.3 0.625 84.2 104.3 -85.6 -14.7 28.7 18.3 31.1 153 72 B R S << S- 0 0 85 -3,-1.2 -64,-0.1 -4,-0.7 57,-0.1 -0.157 86.1-106.9 -66.7 163.2 26.6 18.9 34.3 154 73 B E S S+ 0 0 91 1,-0.3 -1,-0.1 54,-0.1 -3,-0.0 0.919 115.7 17.4 -56.2 -48.2 27.5 17.6 37.7 155 74 B T S S- 0 0 107 53,-0.1 -1,-0.3 -5,-0.0 53,-0.1 -0.838 91.7-137.7-127.2 97.2 24.8 15.0 37.5 156 75 B P - 0 0 7 0, 0.0 2,-1.1 0, 0.0 -5,-0.1 -0.206 19.1-118.9 -57.1 136.5 23.6 14.6 33.9 157 76 B D > - 0 0 85 -7,-0.2 4,-2.5 1,-0.2 3,-0.2 -0.675 25.5-164.8 -80.3 99.8 19.8 14.3 33.5 158 77 B G H > S+ 0 0 42 -2,-1.1 4,-1.8 1,-0.2 -1,-0.2 0.841 85.8 47.4 -53.3 -40.9 19.4 10.8 32.0 159 78 B Q H > S+ 0 0 143 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.845 111.0 50.4 -76.5 -34.1 15.8 11.4 30.9 160 79 B A H > S+ 0 0 13 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.887 109.7 52.5 -66.8 -37.2 16.6 14.8 29.3 161 80 B L H X S+ 0 0 9 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.929 109.3 48.7 -63.5 -43.3 19.5 13.2 27.4 162 81 B E H X S+ 0 0 115 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.892 109.4 51.9 -63.0 -42.6 17.2 10.5 26.1 163 82 B R H X S+ 0 0 152 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.835 112.0 47.3 -64.3 -33.2 14.5 13.0 24.9 164 83 B S H X S+ 0 0 9 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.921 109.6 51.9 -74.6 -44.4 17.2 14.9 23.1 165 84 B Q H X S+ 0 0 35 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.867 110.1 50.5 -57.9 -38.9 18.7 11.8 21.5 166 85 B N H X S+ 0 0 72 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.911 109.5 49.8 -65.4 -44.3 15.2 11.0 20.3 167 86 B D H X S+ 0 0 56 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.926 112.3 50.2 -54.9 -45.6 14.8 14.5 18.9 168 87 B F H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.938 111.2 44.3 -62.8 -50.0 18.1 14.0 17.1 169 88 B R H X S+ 0 0 84 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.867 114.6 51.2 -68.2 -31.4 17.5 10.7 15.5 170 89 B R H X S+ 0 0 123 -4,-2.0 4,-2.3 2,-0.2 5,-0.3 0.911 111.1 46.4 -69.9 -44.0 14.0 11.8 14.4 171 90 B V H X S+ 0 0 22 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.915 116.1 48.0 -60.7 -40.3 15.3 15.0 12.8 172 91 B L H X S+ 0 0 4 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.895 112.2 47.1 -69.1 -41.3 18.0 12.9 11.2 173 92 B E H X S+ 0 0 95 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.905 113.1 46.9 -71.4 -40.9 15.7 10.2 9.9 174 93 B Q H X S+ 0 0 121 -4,-2.3 4,-1.0 2,-0.2 3,-0.3 0.931 114.5 49.6 -62.2 -44.8 13.1 12.7 8.4 175 94 B G H >X S+ 0 0 5 -4,-2.0 4,-0.9 -5,-0.3 3,-0.8 0.926 109.8 49.2 -57.2 -48.1 16.0 14.6 6.8 176 95 B R H 3< S+ 0 0 69 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.734 111.5 51.1 -67.2 -21.7 17.5 11.5 5.3 177 96 B A H 3< S+ 0 0 82 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.650 115.0 42.0 -87.8 -17.1 14.1 10.5 3.9 178 97 B N H << S+ 0 0 132 -4,-1.0 2,-0.4 -3,-0.8 -2,-0.2 0.415 84.7 115.8-109.1 -1.4 13.6 13.9 2.4 179 98 B T < - 0 0 15 -4,-0.9 -49,-0.1 1,-0.2 -50,-0.0 -0.571 37.2-178.8 -78.0 127.7 17.1 14.5 0.9 180 99 B V + 0 0 98 -2,-0.4 2,-0.2 -51,-0.1 -1,-0.2 0.851 55.8 82.9 -92.4 -41.3 17.2 14.7 -2.9 181 100 B D S > S- 0 0 44 1,-0.1 4,-2.2 -52,-0.1 5,-0.2 -0.464 70.5-141.2 -75.5 134.5 20.9 15.1 -3.6 182 101 B S H > S+ 0 0 93 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.844 101.2 51.1 -66.0 -35.6 23.0 12.0 -3.7 183 102 B A H > S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.888 111.5 48.3 -67.5 -37.7 26.0 13.6 -2.0 184 103 B E H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.870 108.5 53.9 -72.6 -35.1 23.8 14.9 0.8 185 104 B Q H X S+ 0 0 56 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.936 111.9 45.3 -58.2 -47.2 22.2 11.5 1.3 186 105 B A H X S+ 0 0 62 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.903 111.7 51.4 -66.6 -42.7 25.6 9.9 1.7 187 106 B A H X S+ 0 0 16 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.911 109.0 51.7 -58.3 -43.4 26.8 12.7 4.1 188 107 B L H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.812 106.8 52.6 -66.7 -30.4 23.7 12.1 6.2 189 108 B D H X S+ 0 0 50 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.862 108.6 51.6 -68.3 -36.6 24.4 8.4 6.4 190 109 B G H X S+ 0 0 11 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.874 109.3 50.1 -63.9 -38.2 27.8 9.3 7.6 191 110 B V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.918 109.6 50.6 -66.8 -43.6 26.2 11.6 10.2 192 111 B R H X S+ 0 0 98 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.951 111.9 47.9 -57.1 -50.6 23.9 8.7 11.3 193 112 B D H X S+ 0 0 83 -4,-2.6 4,-2.0 1,-0.2 3,-0.3 0.936 111.9 48.1 -54.7 -52.4 26.9 6.4 11.7 194 113 B A H X S+ 0 0 12 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.821 108.5 55.4 -61.4 -32.4 29.0 9.0 13.6 195 114 B Y H X S+ 0 0 5 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.873 106.9 50.2 -67.7 -35.9 26.1 9.6 15.9 196 115 B L H X S+ 0 0 84 -4,-1.8 4,-1.7 -3,-0.3 -2,-0.2 0.902 109.1 51.5 -66.9 -41.0 25.9 5.9 16.7 197 116 B Q H X S+ 0 0 114 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.841 108.7 52.1 -61.0 -35.8 29.7 5.9 17.5 198 117 B L H >< S+ 0 0 9 -4,-1.7 3,-1.2 1,-0.2 -2,-0.2 0.951 109.2 48.0 -67.5 -48.1 29.1 8.8 19.8 199 118 B Q H >< S+ 0 0 44 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.816 105.2 60.9 -60.0 -31.4 26.4 7.0 21.7 200 119 B A H 3< S+ 0 0 74 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.738 105.4 47.0 -70.1 -22.9 28.6 4.0 21.9 201 120 B H T << S+ 0 0 67 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.249 97.2 89.7 -99.4 11.5 31.2 6.0 23.9 202 121 B T S < S- 0 0 19 -3,-1.3 4,-0.1 -4,-0.1 -1,-0.0 -0.942 85.6-114.2-113.0 117.0 28.4 7.4 26.2 203 122 B P - 0 0 55 0, 0.0 3,-0.2 0, 0.0 -2,-0.1 -0.062 15.0-135.2 -44.4 141.7 27.6 5.4 29.4 204 123 B A S S+ 0 0 99 1,-0.3 2,-0.7 -4,-0.1 -4,-0.0 0.875 100.9 41.5 -69.8 -38.3 24.1 3.9 29.4 205 124 B L S S- 0 0 134 0, 0.0 2,-0.7 0, 0.0 -1,-0.3 -0.876 96.6-129.4-113.1 98.5 23.6 5.0 33.0 206 125 B L + 0 0 31 -2,-0.7 -48,-0.2 -3,-0.2 -2,-0.0 -0.233 37.5 167.3 -59.0 96.8 25.0 8.5 33.3 207 126 B E - 0 0 159 -2,-0.7 -1,-0.2 -52,-0.1 3,-0.1 0.994 59.2 -8.6 -72.5 -67.8 27.3 8.4 36.4 208 127 B A S S- 0 0 55 1,-0.1 2,-0.1 -53,-0.1 -53,-0.1 -0.547 92.5 -62.3-122.2-177.0 29.3 11.6 36.3 209 128 B P - 0 0 20 0, 0.0 -57,-0.2 0, 0.0 2,-0.2 -0.481 66.1 -93.0 -67.6 145.1 29.9 14.5 33.8 210 129 B X S S+ 0 0 12 -59,-2.7 2,-0.3 -62,-0.2 3,-0.1 -0.425 72.9 130.3 -63.6 124.5 31.5 13.5 30.5 211 130 B A + 0 0 47 -2,-0.2 -184,-0.1 1,-0.1 -182,-0.1 -0.983 45.8 26.5-168.3 160.7 35.3 13.9 30.9 212 131 B D S S+ 0 0 97 -184,-0.5 2,-0.4 -186,-0.5 -184,-0.2 0.849 79.0 132.5 42.7 50.8 38.7 12.3 30.4 213 132 B N > - 0 0 48 -186,-2.6 4,-2.1 1,-0.1 3,-0.2 -0.829 36.5-175.5-138.7 96.0 37.4 10.1 27.6 214 133 B D H > S+ 0 0 33 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.827 86.3 54.5 -61.1 -35.8 39.5 9.9 24.4 215 134 B G H > S+ 0 0 15 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.883 110.2 44.6 -65.9 -42.3 36.9 7.8 22.6 216 135 B F H > S+ 0 0 3 -3,-0.2 4,-3.0 2,-0.2 5,-0.2 0.876 112.3 53.5 -69.0 -38.9 34.0 10.2 23.2 217 136 B S H X S+ 0 0 1 -4,-2.1 4,-2.7 -190,-0.2 -2,-0.2 0.928 112.1 43.9 -62.0 -47.1 36.2 13.1 22.3 218 137 B E H X S+ 0 0 118 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.916 115.2 47.7 -64.9 -45.8 37.2 11.5 19.0 219 138 B A H X S+ 0 0 15 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.919 113.9 47.9 -61.9 -44.5 33.6 10.5 18.2 220 139 B F H X S+ 0 0 14 -4,-3.0 4,-2.8 2,-0.2 5,-0.3 0.923 111.8 49.4 -62.5 -45.9 32.3 13.9 19.1 221 140 B N H X S+ 0 0 46 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.918 111.3 50.2 -57.7 -44.1 34.9 15.6 17.0 222 141 B G H X S+ 0 0 30 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.949 113.7 45.1 -59.9 -48.8 34.1 13.3 14.0 223 142 B L H X S+ 0 0 0 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