==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 20-JAN-09 3FXD . COMPND 2 MOLECULE: PROTEIN ICMQ; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA; . AUTHOR S.RAYCHAUDHURY,C.W.AKEY,J.F.HEAD . 214 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 77.6 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 3 0 0 2 1 1 0 0 0 0 0 0 0 0 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 4 A Q 0 0 165 0, 0.0 2,-0.3 0, 0.0 54,-0.2 0.000 360.0 360.0 360.0 -57.4 52.4 52.3 55.4 2 5 A L - 0 0 13 52,-1.1 2,-0.2 4,-0.0 103,-0.0 -0.617 360.0-138.8 -85.6 143.3 48.9 53.5 54.4 3 6 A S > - 0 0 44 -2,-0.3 4,-2.5 1,-0.1 3,-0.3 -0.545 25.6-109.3 -96.2 165.9 48.0 57.2 54.5 4 7 A D H > S+ 0 0 126 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.800 120.2 56.8 -62.6 -29.1 44.8 58.7 55.7 5 8 A E H 4 S+ 0 0 146 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.855 110.3 42.9 -70.6 -37.1 44.0 59.6 52.1 6 9 A Q H >> S+ 0 0 17 -3,-0.3 4,-2.1 2,-0.2 3,-0.7 0.908 114.0 48.9 -75.8 -45.7 44.3 55.9 51.0 7 10 A K H 3X S+ 0 0 32 -4,-2.5 4,-2.0 1,-0.2 5,-0.2 0.932 112.2 50.9 -58.8 -45.0 42.4 54.5 54.0 8 11 A E H 3X S+ 0 0 152 -4,-1.9 4,-0.6 -5,-0.2 -1,-0.2 0.632 112.4 45.9 -68.8 -17.1 39.6 57.0 53.4 9 12 A T H <> S+ 0 0 65 -3,-0.7 4,-1.3 -4,-0.5 -1,-0.2 0.748 112.3 48.9 -96.7 -28.3 39.3 56.1 49.7 10 13 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.829 107.9 55.0 -78.5 -33.9 39.4 52.3 50.2 11 14 A L H X S+ 0 0 41 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.917 109.4 46.3 -65.7 -43.9 36.7 52.4 52.9 12 15 A K H X S+ 0 0 144 -4,-0.6 4,-3.3 2,-0.2 5,-0.3 0.889 108.3 56.1 -65.8 -41.0 34.2 54.3 50.7 13 16 A A H X S+ 0 0 7 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.932 111.8 44.1 -56.6 -46.2 34.9 52.0 47.8 14 17 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.928 115.9 45.6 -64.1 -48.6 33.9 49.1 50.0 15 18 A N H X S+ 0 0 54 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.871 111.9 52.7 -64.3 -37.2 30.9 50.8 51.5 16 19 A D H X S+ 0 0 33 -4,-3.3 4,-2.9 2,-0.2 5,-0.3 0.918 111.0 46.6 -64.0 -42.9 29.7 52.0 48.1 17 20 A A H X S+ 0 0 3 -4,-2.0 4,-1.8 -5,-0.3 -2,-0.2 0.871 112.6 49.6 -66.3 -39.2 29.9 48.4 46.7 18 21 A I H < S+ 0 0 35 -4,-2.2 5,-0.2 2,-0.2 -1,-0.2 0.888 116.1 44.3 -65.9 -39.2 28.1 47.0 49.8 19 22 A E H < S+ 0 0 158 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.912 122.3 32.9 -72.5 -46.6 25.4 49.7 49.3 20 23 A K H < S+ 0 0 95 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.620 94.1 103.4 -89.9 -16.7 24.9 49.5 45.5 21 24 A G S < S- 0 0 13 -4,-1.8 2,-0.7 -5,-0.3 3,-0.3 -0.168 82.9-110.8 -64.7 163.8 25.5 45.9 44.9 22 25 A P > + 0 0 10 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.183 66.5 139.5 -87.8 43.2 22.6 43.4 44.2 23 26 A W T 3 + 0 0 16 -2,-0.7 10,-0.2 1,-0.3 3,-0.1 0.538 69.0 48.7 -68.5 -7.2 23.2 41.6 47.6 24 27 A D T 3 S+ 0 0 159 -3,-0.3 -1,-0.3 1,-0.1 6,-0.1 0.428 86.0 90.3-107.6 -4.0 19.5 41.2 48.4 25 28 A K S < S- 0 0 121 -3,-1.5 2,-0.3 1,-0.1 -2,-0.1 0.667 100.3 -6.8 -67.7 -18.9 18.6 39.8 44.9 26 29 A S > - 0 0 44 -4,-0.3 4,-1.6 -3,-0.1 5,-0.1 -0.985 68.9-101.8-168.5 164.6 19.1 36.2 46.0 27 30 A N H > S+ 0 0 114 -2,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.915 121.5 50.7 -60.8 -43.1 20.4 33.8 48.7 28 31 A F H >> S+ 0 0 70 1,-0.2 4,-1.5 2,-0.2 3,-0.6 0.965 110.2 47.6 -59.0 -54.5 23.6 33.4 46.8 29 32 A L H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.761 105.0 61.3 -60.6 -25.2 24.3 37.1 46.4 30 33 A R H 3X S+ 0 0 105 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.910 101.9 51.8 -68.1 -40.3 23.5 37.7 50.0 31 34 A V H < S+ 0 0 25 -4,-1.3 3,-1.5 2,-0.2 -2,-0.2 0.977 113.5 43.4 -69.1 -58.9 42.9 47.7 61.4 47 50 A I H 3< S+ 0 0 45 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.670 113.6 56.8 -63.0 -13.7 42.7 51.4 60.7 48 51 A G H 3< 0 0 64 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.681 360.0 360.0 -88.7 -20.1 41.0 51.7 64.0 49 52 A A << 0 0 81 -3,-1.5 3,-0.1 -4,-0.7 5,-0.1 -0.057 360.0 360.0 -69.9 360.0 43.9 50.0 65.8 50 !* 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 51 29 B V 0 0 103 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-152.4 45.7 43.6 65.0 52 30 B T - 0 0 103 1,-0.2 -3,-0.2 -3,-0.1 -4,-0.1 -0.199 360.0 -75.7 -79.8 174.0 48.1 46.2 63.6 53 31 B D - 0 0 52 1,-0.1 -6,-0.2 -6,-0.1 2,-0.2 -0.142 60.9 -83.7 -65.5 165.7 47.3 49.1 61.3 54 32 B A + 0 0 0 -11,-0.2 -52,-1.1 -5,-0.1 2,-0.2 -0.480 49.8 177.2 -77.1 142.5 46.6 48.5 57.6 55 33 B T > - 0 0 50 -2,-0.2 4,-3.0 -54,-0.2 5,-0.2 -0.774 46.6 -94.2-133.4 176.5 49.4 48.2 55.1 56 34 B L H > S+ 0 0 42 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.939 128.9 48.0 -60.3 -45.6 49.9 47.6 51.3 57 35 B G H > S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.871 112.5 51.3 -61.2 -35.3 50.5 43.9 52.1 58 36 B S H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.909 108.5 49.6 -66.9 -46.0 47.4 44.1 54.2 59 37 B V H X>S+ 0 0 0 -4,-3.0 5,-2.4 2,-0.2 4,-1.4 0.920 114.3 45.5 -61.7 -43.5 45.3 45.6 51.5 60 38 B Y H <>S+ 0 0 19 -4,-2.5 5,-3.0 3,-0.2 -2,-0.2 0.949 119.8 38.2 -66.4 -48.6 46.3 43.0 49.0 61 39 B S H <5S+ 0 0 63 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.750 127.1 32.2 -77.1 -25.1 45.9 40.0 51.3 62 40 B E H <5S+ 0 0 45 -4,-2.6 -1,-0.2 -5,-0.2 -3,-0.2 0.483 135.3 14.4-112.7 -3.0 42.7 41.1 53.1 63 41 B I T X5S+ 0 0 2 -4,-1.4 4,-2.4 -5,-0.3 5,-0.3 0.524 125.4 40.8-129.5 -68.4 40.9 43.1 50.5 64 42 B I H > S+ 0 0 18 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.836 110.8 53.9 -70.2 -30.2 39.4 38.1 48.8 67 45 B V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.904 105.9 53.8 -67.9 -37.7 37.4 40.4 46.4 68 46 B K H X S+ 0 0 28 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.874 106.1 53.0 -62.9 -35.2 39.0 38.5 43.6 69 47 B D H X S+ 0 0 77 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.877 108.1 50.5 -67.3 -36.6 37.7 35.3 45.2 70 48 B C H X S+ 0 0 5 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.917 110.3 49.5 -66.0 -43.3 34.2 36.8 45.3 71 49 B I H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.916 112.2 47.4 -61.4 -45.7 34.5 37.7 41.6 72 50 B L H X S+ 0 0 38 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.912 112.0 50.4 -63.6 -41.9 35.6 34.2 40.6 73 51 B T H X S+ 0 0 69 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.929 112.9 45.8 -62.2 -44.0 32.8 32.7 42.7 74 52 B V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.891 110.6 53.1 -66.0 -39.6 30.2 34.9 41.1 75 53 B A H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.876 108.1 51.9 -61.5 -37.8 31.6 34.2 37.6 76 54 B K H X S+ 0 0 95 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.895 107.6 51.5 -65.0 -41.2 31.3 30.5 38.4 77 55 B A H >X S+ 0 0 12 -4,-1.9 4,-1.4 1,-0.2 3,-0.8 0.926 106.6 54.8 -61.2 -43.8 27.7 31.1 39.4 78 56 B V H 3< S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.873 104.0 54.6 -57.8 -39.0 27.1 32.8 36.0 79 57 B S H 3< S+ 0 0 35 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.755 110.7 46.6 -68.7 -24.9 28.5 29.7 34.2 80 58 B F H << S+ 0 0 146 -4,-1.1 -2,-0.2 -3,-0.8 -3,-0.1 0.960 118.8 26.1 -74.8 -79.2 25.9 27.4 35.9 81 59 B N S < S- 0 0 117 -4,-1.4 -1,-0.3 1,-0.1 -2,-0.1 -0.998 84.7-125.8-137.6 131.8 22.7 29.4 35.6 82 60 B P - 0 0 58 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.165 46.3 -1.3-164.4-103.5 22.0 31.3 33.6 83 61 B G + 0 0 37 108,-0.1 2,-0.3 109,-0.1 107,-0.1 -0.588 68.4 143.6-122.9 59.6 20.9 34.5 31.9 84 62 B G > - 0 0 23 106,-0.3 4,-0.7 -2,-0.1 108,-0.1 -0.798 47.2-147.5-102.2 148.3 20.2 36.4 35.1 85 63 B K H > S+ 0 0 138 -2,-0.3 4,-1.9 2,-0.1 5,-0.1 0.732 90.1 66.0 -84.3 -22.7 20.9 40.2 35.4 86 64 B D H > S+ 0 0 53 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.949 100.5 43.9 -65.5 -53.9 21.8 40.0 39.1 87 65 B N H > S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.907 113.0 54.4 -60.1 -40.6 25.0 37.9 39.0 88 66 B T H X S+ 0 0 14 -4,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.924 107.6 49.3 -57.3 -48.2 26.3 40.0 36.0 89 67 B D H X S+ 0 0 45 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.846 107.3 55.5 -61.1 -35.6 25.8 43.2 38.0 90 68 B A H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.915 105.5 52.1 -64.8 -41.6 27.7 41.7 40.9 91 69 B V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.930 112.9 45.3 -59.2 -45.0 30.7 40.9 38.6 92 70 B E H X S+ 0 0 32 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.944 114.5 46.7 -65.2 -48.3 30.6 44.6 37.5 93 71 B V H X S+ 0 0 14 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.918 115.5 45.8 -60.1 -45.3 30.3 46.0 41.0 94 72 B L H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.873 111.3 52.7 -66.9 -36.9 33.0 43.8 42.4 95 73 B T H X S+ 0 0 4 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.929 110.2 47.9 -64.4 -43.2 35.3 44.5 39.5 96 74 B E H X S+ 0 0 66 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.906 110.0 54.0 -64.6 -39.9 34.9 48.2 40.0 97 75 B L H X S+ 0 0 4 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.936 111.3 43.0 -60.0 -50.2 35.5 47.8 43.7 98 76 B N H X S+ 0 0 5 -4,-2.4 4,-3.3 1,-0.2 5,-0.2 0.904 112.9 52.9 -65.5 -38.4 38.8 46.0 43.2 99 77 B T H X S+ 0 0 6 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.868 111.2 47.3 -64.4 -35.3 39.9 48.4 40.5 100 78 B K H X S+ 0 0 100 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.890 116.6 42.5 -72.0 -40.3 39.3 51.3 42.8 101 79 B V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.865 112.0 54.8 -72.8 -36.2 41.1 49.7 45.7 102 80 B E H < S+ 0 0 3 -4,-3.3 4,-0.5 -5,-0.2 -2,-0.2 0.864 110.5 47.4 -64.1 -35.0 43.9 48.6 43.4 103 81 B R H ><>S+ 0 0 86 -4,-1.5 3,-0.9 -5,-0.2 5,-0.6 0.922 111.3 49.2 -70.8 -47.2 44.3 52.2 42.3 104 82 B A H ><5S+ 0 0 7 -4,-2.1 3,-2.2 1,-0.3 -2,-0.2 0.908 107.2 55.0 -59.4 -44.2 44.3 53.6 45.8 105 83 B A T 3<5S+ 0 0 5 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.700 104.7 54.8 -63.4 -19.2 46.9 51.0 46.9 106 84 B L T < 5S- 0 0 6 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.295 109.4-128.4 -94.6 6.7 49.0 52.4 44.0 107 85 B N T < 5 0 0 100 -3,-2.2 -3,-0.2 1,-0.1 -2,-0.1 0.204 360.0 360.0 67.0 -19.0 48.6 55.8 45.5 108 86 B Q < 0 0 122 -5,-0.6 -4,-0.2 57,-0.1 -1,-0.1 0.066 360.0 360.0 171.7 360.0 47.5 56.9 42.0 109 !* 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 0.0 110 4 C Q 0 0 165 0, 0.0 2,-0.4 0, 0.0 54,-0.2 0.000 360.0 360.0 360.0 -37.9 59.4 52.8 40.1 111 5 C L - 0 0 13 52,-0.9 2,-0.1 4,-0.0 103,-0.1 -0.719 360.0-139.8 -93.6 135.1 59.4 49.1 38.9 112 6 C S > - 0 0 30 -2,-0.4 4,-2.5 1,-0.1 3,-0.4 -0.453 29.2-107.5 -85.4 161.0 62.2 46.7 39.6 113 7 C D H > S+ 0 0 119 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.868 122.5 51.9 -54.7 -38.5 63.4 44.2 37.1 114 8 C E H > S+ 0 0 131 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.844 110.4 48.0 -68.7 -33.4 61.8 41.4 39.1 115 9 C Q H > S+ 0 0 12 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.851 109.7 52.1 -74.3 -36.5 58.5 43.3 39.1 116 10 C K H X S+ 0 0 30 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.911 110.3 49.9 -64.5 -41.8 58.7 43.9 35.3 117 11 C E H X S+ 0 0 111 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.922 110.0 49.1 -61.9 -48.2 59.2 40.2 34.8 118 12 C T H X S+ 0 0 69 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.932 113.5 46.3 -58.7 -48.4 56.3 39.2 36.9 119 13 C I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.928 113.5 48.4 -62.1 -45.0 53.9 41.6 35.2 120 14 C L H X S+ 0 0 28 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.907 112.4 50.0 -62.1 -39.9 55.2 40.6 31.8 121 15 C K H X S+ 0 0 99 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.916 108.8 51.5 -64.2 -44.1 54.7 36.9 32.8 122 16 C A H X S+ 0 0 8 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.910 111.8 47.2 -59.5 -43.9 51.2 37.5 34.0 123 17 C L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.939 113.5 47.2 -64.4 -47.4 50.2 39.2 30.8 124 18 C N H X S+ 0 0 57 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.888 112.3 50.0 -63.1 -38.7 51.8 36.5 28.6 125 19 C D H X S+ 0 0 51 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.890 109.7 50.8 -67.2 -38.8 50.1 33.7 30.7 126 20 C A H X S+ 0 0 0 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.904 112.2 47.6 -63.8 -41.3 46.7 35.4 30.4 127 21 C I H < S+ 0 0 33 -4,-2.2 5,-0.3 2,-0.2 -2,-0.2 0.906 114.2 47.4 -65.4 -42.6 47.1 35.7 26.6 128 22 C E H < S+ 0 0 165 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.884 121.5 31.9 -69.2 -42.0 48.2 32.0 26.4 129 23 C K H < S+ 0 0 107 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.623 95.1 105.3 -93.6 -13.6 45.5 30.4 28.5 130 24 C G S < S- 0 0 14 -4,-1.7 2,-0.5 -5,-0.3 3,-0.2 -0.225 80.4-116.1 -64.8 157.9 42.6 32.8 27.8 131 25 C P > + 0 0 12 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.126 65.3 138.7 -87.4 40.4 39.7 31.8 25.4 132 26 C W T 3 S+ 0 0 11 -2,-0.5 10,-0.2 1,-0.3 11,-0.1 0.444 71.1 47.7 -66.2 -0.5 40.7 34.4 22.9 133 27 C D T 3 S+ 0 0 126 -3,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.202 86.0 89.4-122.9 12.6 40.1 32.0 20.0 134 28 C K S < S- 0 0 131 -3,-2.1 2,-0.3 1,-0.2 -2,-0.1 0.606 99.8 -2.4 -86.3 -13.7 36.7 30.7 21.1 135 29 C S S > S- 0 0 37 -4,-0.3 4,-1.7 1,-0.1 -1,-0.2 -0.978 71.9-102.2-168.2 163.1 34.6 33.3 19.3 136 30 C N H > S+ 0 0 129 -2,-0.3 4,-1.4 1,-0.2 -1,-0.1 0.859 122.1 49.2 -61.4 -35.9 34.8 36.4 17.2 137 31 C F H > S+ 0 0 59 2,-0.2 4,-1.9 1,-0.2 3,-0.3 0.946 111.3 46.5 -69.0 -49.8 34.0 38.5 20.3 138 32 C L H > S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.770 107.4 60.2 -64.0 -24.6 36.6 36.9 22.5 139 33 C R H X S+ 0 0 79 -4,-1.7 4,-2.4 2,-0.2 -1,-0.3 0.894 103.4 51.0 -68.0 -41.9 39.1 37.3 19.6 140 34 C V H X S+ 0 0 95 -4,-1.4 4,-1.7 -3,-0.3 -2,-0.2 0.936 111.5 46.4 -61.1 -46.6 38.5 41.0 19.9 141 35 C I H X S+ 0 0 7 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.931 110.1 55.5 -61.4 -42.7 39.2 40.9 23.6 142 36 C G H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.906 105.9 49.3 -55.8 -47.0 42.2 38.8 22.9 143 37 C K H X S+ 0 0 97 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.855 109.4 52.9 -63.2 -35.2 43.7 41.4 20.6 144 38 C K H X S+ 0 0 82 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.894 109.0 49.5 -66.5 -39.4 43.1 44.1 23.1 145 39 C L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.911 110.7 50.5 -64.6 -41.5 45.0 42.1 25.7 146 40 C I H X S+ 0 0 54 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.912 108.1 52.0 -62.9 -42.2 47.8 41.6 23.3 147 41 C A H X S+ 0 0 54 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.880 109.2 51.3 -61.7 -37.8 48.0 45.3 22.6 148 42 C I H X S+ 0 0 5 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.919 110.2 48.3 -64.7 -43.6 48.2 45.9 26.3 149 43 C R H X S+ 0 0 49 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.927 111.5 50.4 -62.2 -45.6 51.1 43.4 26.7 150 44 C D H X S+ 0 0 60 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.868 106.8 53.9 -61.9 -38.6 52.9 45.1 23.7 151 45 C R H X S+ 0 0 128 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.922 108.6 50.1 -63.5 -40.7 52.5 48.5 25.2 152 46 C F H X S+ 0 0 6 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.864 105.9 55.6 -64.5 -38.0 54.1 47.3 28.4 153 47 C L H <>S+ 0 0 49 -4,-1.9 5,-2.8 1,-0.2 -1,-0.2 0.946 109.9 46.5 -60.1 -45.3 57.0 45.8 26.6 154 48 C K H ><5S+ 0 0 132 -4,-2.1 3,-2.1 3,-0.2 5,-0.4 0.908 107.2 57.1 -63.6 -41.1 57.7 49.2 25.0 155 49 C R H 3<5S+ 0 0 61 -4,-2.2 8,-0.3 1,-0.3 -1,-0.2 0.900 107.3 48.8 -56.3 -41.2 57.4 50.9 28.3 156 50 C I T 3<5S- 0 0 48 -4,-2.0 -1,-0.3 6,-0.2 -2,-0.2 0.360 133.7 -91.1 -82.6 7.8 60.2 48.7 29.7 157 51 C G T < 5S+ 0 0 56 -3,-2.1 -3,-0.2 4,-0.2 -2,-0.1 0.550 77.7 141.9 100.4 9.1 62.3 49.4 26.6 158 52 C A < 0 0 67 -5,-2.8 -4,-0.2 1,-0.3 -3,-0.1 0.712 360.0 360.0 -56.2 -21.9 61.4 46.7 24.1 159 53 C A 0 0 119 -5,-0.4 -1,-0.3 -6,-0.2 -5,-0.1 -0.025 360.0 360.0-121.7 360.0 61.7 49.3 21.3 160 !* 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 0.0 161 30 D T 0 0 149 0, 0.0 -4,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -10.1 59.3 56.5 29.5 162 31 D D - 0 0 71 1,-0.1 -6,-0.2 -6,-0.1 5,-0.1 -0.350 360.0 -86.4 -69.8 148.5 60.0 53.5 31.7 163 32 D A + 0 0 0 -8,-0.3 -52,-0.9 -11,-0.2 2,-0.3 -0.114 50.7 179.5 -53.3 150.2 57.1 51.7 33.4 164 33 D T > - 0 0 48 -54,-0.2 4,-2.5 -3,-0.1 3,-0.3 -0.948 48.2 -95.3-148.2 163.2 55.9 53.1 36.8 165 34 D L H > S+ 0 0 40 -2,-0.3 4,-1.8 1,-0.3 5,-0.1 0.895 128.4 52.8 -47.4 -40.1 53.2 52.3 39.4 166 35 D G H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.899 107.3 47.0 -63.7 -45.0 51.3 54.9 37.5 167 36 D S H > S+ 0 0 7 -3,-0.3 4,-2.2 1,-0.2 5,-0.3 0.803 107.5 60.0 -68.3 -28.8 51.7 53.4 34.0 168 37 D V H X>S+ 0 0 0 -4,-2.5 5,-2.2 3,-0.2 4,-1.4 0.939 110.7 39.9 -64.4 -45.4 50.7 50.1 35.5 169 38 D Y H <>S+ 0 0 36 -4,-1.8 5,-3.1 -5,-0.2 -2,-0.2 0.970 122.9 38.1 -68.3 -53.2 47.3 51.4 36.6 170 39 D S H <5S+ 0 0 66 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.744 127.5 33.4 -72.5 -25.0 46.6 53.5 33.6 171 40 D E H <5S+ 0 0 34 -4,-2.2 -1,-0.2 -5,-0.2 -3,-0.2 0.560 135.7 12.2-109.6 -8.5 48.0 51.2 30.9 172 41 D I T X5S+ 0 0 2 -4,-1.4 4,-2.8 -5,-0.3 5,-0.3 0.572 124.5 42.0-126.5 -71.5 47.3 47.8 32.4 173 42 D I H > S+ 0 0 15 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.851 112.7 49.9 -64.8 -34.7 42.3 48.8 30.4 176 45 D V H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.907 107.7 54.5 -70.1 -38.2 42.0 45.2 31.6 177 46 D K H X S+ 0 0 42 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.908 106.1 52.7 -59.3 -40.3 39.1 46.3 33.9 178 47 D D H X S+ 0 0 69 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.896 108.2 50.6 -62.3 -39.5 37.5 47.8 30.7 179 48 D C H X S+ 0 0 3 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.894 109.5 51.2 -64.2 -40.5 38.0 44.4 29.0 180 49 D I H X S+ 0 0 4 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.938 112.3 44.6 -62.6 -47.2 36.3 42.6 32.0 181 50 D L H X S+ 0 0 14 -4,-2.5 4,-3.7 2,-0.2 5,-0.2 0.863 111.0 54.7 -66.2 -36.1 33.3 45.0 32.0 182 51 D T H X S+ 0 0 69 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.2 0.924 112.6 42.7 -63.8 -42.9 33.0 44.7 28.2 183 52 D V H < S+ 0 0 0 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.918 118.6 45.4 -69.1 -40.9 32.9 40.9 28.5 184 53 D A H < S+ 0 0 2 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.896 115.9 45.6 -68.4 -40.5 30.5 41.1 31.5 185 54 D K H < S+ 0 0 129 -4,-3.7 -1,-0.2 -5,-0.2 -2,-0.2 0.623 91.5 106.2 -78.8 -13.5 28.3 43.7 29.9 186 55 D A S >X S- 0 0 23 -4,-1.1 3,-0.9 -5,-0.2 4,-0.6 -0.246 79.4-122.4 -65.6 155.7 28.1 41.9 26.5 187 56 D V G >4 S+ 0 0 128 1,-0.2 3,-1.0 2,-0.2 -1,-0.1 0.870 111.3 63.0 -65.0 -36.1 24.9 40.0 25.5 188 57 D S G 34>S+ 0 0 45 1,-0.3 5,-0.8 2,-0.2 4,-0.3 0.691 93.5 63.8 -64.2 -17.1 26.9 36.8 25.2 189 58 D F G X45S+ 0 0 0 -3,-0.9 3,-1.4 -6,-0.2 -1,-0.3 0.867 90.2 67.6 -74.6 -33.3 27.7 37.0 28.9 190 59 D N T <<5S+ 0 0 72 -3,-1.0 -106,-0.3 -4,-0.6 -2,-0.2 0.914 93.5 54.4 -52.9 -52.8 24.0 36.6 29.8 191 60 D P T 3 5S- 0 0 89 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.715 107.1-130.5 -57.4 -17.1 23.7 33.0 28.5 192 61 D G T < 5 - 0 0 6 -3,-1.4 -3,-0.1 -4,-0.3 -2,-0.1 0.845 34.3-175.2 72.3 34.3 26.6 32.2 30.8 193 62 D G >< - 0 0 32 -5,-0.8 4,-1.9 1,-0.1 5,-0.2 -0.309 32.7-120.8 -62.5 147.7 28.7 30.3 28.3 194 63 D K H > S+ 0 0 138 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.895 109.0 56.8 -55.0 -46.8 31.9 28.8 29.7 195 64 D D H > S+ 0 0 51 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.904 109.7 44.4 -54.0 -47.2 34.2 30.7 27.3 196 65 D N H > S+ 0 0 18 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.863 114.7 47.0 -69.6 -37.0 32.9 34.1 28.5 197 66 D T H X S+ 0 0 2 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.887 111.2 54.2 -71.8 -36.3 33.0 33.3 32.2 198 67 D D H X S+ 0 0 33 -4,-3.1 4,-3.0 -5,-0.2 -2,-0.2 0.890 104.9 53.6 -60.8 -41.0 36.5 31.9 31.7 199 68 D A H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.892 108.1 50.0 -62.2 -39.7 37.6 35.1 30.1 200 69 D V H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.894 112.4 47.5 -65.7 -39.2 36.3 37.0 33.1 201 70 D E H X S+ 0 0 36 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.943 113.4 47.1 -67.6 -46.8 38.2 34.7 35.4 202 71 D V H X S+ 0 0 17 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.934 115.3 44.9 -60.7 -47.8 41.4 34.9 33.4 203 72 D L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.845 112.9 52.2 -66.3 -32.7 41.3 38.7 33.2 204 73 D T H X S+ 0 0 4 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.920 109.6 47.7 -69.9 -43.1 40.4 39.0 36.9 205 74 D E H X S+ 0 0 57 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.910 110.2 56.2 -61.1 -42.0 43.4 36.8 37.9 206 75 D L H X S+ 0 0 3 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.931 107.9 44.0 -56.6 -52.4 45.6 38.9 35.6 207 76 D N H X S+ 0 0 5 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.876 114.9 51.0 -63.1 -35.7 44.8 42.2 37.2 208 77 D T H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.930 112.7 44.4 -67.1 -45.2 45.1 40.7 40.7 209 78 D K H X S+ 0 0 92 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.890 114.4 50.2 -65.9 -39.7 48.6 39.2 39.8 210 79 D V H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.954 111.9 47.2 -63.2 -49.6 49.7 42.4 38.2 211 80 D E H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.910 109.3 55.4 -57.4 -44.5 48.5 44.5 41.2 212 81 D R H <>S+ 0 0 129 -4,-2.5 5,-2.6 1,-0.2 -1,-0.2 0.897 111.0 43.7 -56.2 -44.5 50.3 42.0 43.6 213 82 D A H ><5S+ 0 0 11 -4,-2.0 3,-1.9 3,-0.2 -1,-0.2 0.903 108.8 56.8 -68.7 -42.5 53.6 42.5 41.7 214 83 D A H 3<5S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.792 110.9 45.0 -59.4 -29.1 53.2 46.3 41.5 215 84 D L T 3<5S- 0 0 15 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.304 114.3-118.4 -96.4 6.6 52.9 46.3 45.4 216 85 D N T < 5 0 0 103 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.954 360.0 360.0 53.3 54.7 55.8 43.9 45.8 217 86 D Q < 0 0 163 -5,-2.6 -1,-0.2 -6,-0.1 -4,-0.1 0.959 360.0 360.0 72.4 360.0 53.6 41.3 47.5