==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-APR-10 3MSE . COMPND 2 MOLECULE: CALCIUM-DEPENDENT PROTEIN KINASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR A.K.WERNIMONT,J.D.ARTZ,A.HUTCHINSON,H.SULLIVAN,J.WEADGE,W.TE . 168 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11323.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 71.4 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 . 5 3.0 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 . 6 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 53.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 B I 0 0 159 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.2 -22.5 -54.0 -16.3 2 2 B S >> - 0 0 54 1,-0.1 4,-1.7 4,-0.0 3,-0.9 -0.311 360.0-126.1 -63.1 139.4 -23.4 -50.3 -17.1 3 3 B P H 3> S+ 0 0 93 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.765 107.1 61.8 -59.7 -28.9 -20.9 -48.6 -19.4 4 4 B N H 3> S+ 0 0 93 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.882 104.7 47.1 -65.9 -37.1 -20.3 -45.7 -16.9 5 5 B V H <> S+ 0 0 60 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.911 113.1 49.7 -68.9 -41.2 -18.9 -48.2 -14.3 6 6 B L H X S+ 0 0 69 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.922 112.2 46.9 -61.9 -45.2 -16.7 -49.8 -17.0 7 7 B N H X S+ 0 0 101 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.820 108.8 55.8 -65.5 -34.7 -15.5 -46.4 -18.1 8 8 B N H X S+ 0 0 99 -4,-1.8 4,-2.6 2,-0.2 3,-0.2 0.958 108.5 47.9 -62.3 -48.6 -14.9 -45.4 -14.4 9 9 B M H X S+ 0 0 109 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.903 110.2 52.3 -56.7 -43.9 -12.7 -48.5 -14.0 10 10 B K H < S+ 0 0 119 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.822 112.6 44.3 -65.9 -32.7 -10.7 -47.7 -17.2 11 11 B S H >< S+ 0 0 54 -4,-1.8 3,-1.1 -3,-0.2 4,-0.4 0.889 111.4 54.2 -75.5 -38.5 -10.0 -44.2 -16.0 12 12 B Y H >< S+ 0 0 87 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.908 100.3 60.8 -59.0 -43.0 -9.1 -45.5 -12.5 13 13 B M T 3< S+ 0 0 131 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.690 97.7 60.3 -60.5 -20.5 -6.5 -47.9 -13.9 14 14 B K T < S+ 0 0 149 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.591 90.8 84.8 -86.2 -10.7 -4.5 -45.0 -15.4 15 15 B H S < S- 0 0 53 -3,-1.8 -3,-0.0 -4,-0.4 154,-0.0 -0.428 85.1 -91.6 -94.6 166.8 -3.8 -43.2 -12.2 16 16 B S > - 0 0 50 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.257 30.8-114.7 -71.7 160.4 -1.0 -43.8 -9.6 17 17 B N H > S+ 0 0 107 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.915 117.9 52.0 -60.1 -40.2 -1.3 -46.1 -6.6 18 18 B I H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.908 107.8 50.5 -65.1 -43.9 -1.0 -43.0 -4.3 19 19 B R H > S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.933 114.1 45.9 -54.4 -46.8 -3.8 -41.1 -6.1 20 20 B N H X S+ 0 0 15 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.828 107.0 56.4 -73.2 -30.6 -6.0 -44.2 -5.8 21 21 B I H X S+ 0 0 23 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.951 109.2 48.4 -59.6 -46.6 -5.0 -44.7 -2.1 22 22 B I H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.886 108.3 53.7 -57.9 -43.5 -6.3 -41.2 -1.6 23 23 B I H X S+ 0 0 37 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.894 103.9 57.0 -58.4 -41.3 -9.5 -42.2 -3.5 24 24 B N H X S+ 0 0 93 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.845 101.3 56.1 -60.4 -34.3 -9.9 -45.1 -1.1 25 25 B I H X S+ 0 0 26 -4,-1.4 4,-1.5 -3,-0.2 -1,-0.2 0.945 111.5 43.0 -58.9 -50.0 -10.0 -42.7 1.9 26 26 B M H X S+ 0 0 22 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.864 110.1 57.6 -63.1 -36.5 -12.9 -40.9 0.3 27 27 B A H X S+ 0 0 45 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.858 102.9 53.5 -63.8 -37.7 -14.5 -44.2 -0.7 28 28 B H H X S+ 0 0 111 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.913 106.1 53.2 -60.6 -42.3 -14.5 -45.2 3.0 29 29 B E H X S+ 0 0 37 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.750 107.9 50.9 -63.4 -28.2 -16.3 -41.9 3.7 30 30 B L H X S+ 0 0 100 -4,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.828 107.6 53.0 -75.5 -38.0 -19.0 -42.8 1.1 31 31 B S H X S+ 0 0 59 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.898 109.6 48.5 -60.4 -42.9 -19.4 -46.2 2.7 32 32 B V H >X S+ 0 0 51 -4,-1.9 4,-1.8 2,-0.2 3,-0.6 0.971 113.8 45.9 -64.4 -53.5 -20.0 -44.5 6.1 33 33 B I H 3X S+ 0 0 41 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.910 112.0 52.2 -50.6 -49.4 -22.6 -42.1 4.6 34 34 B N H 3X S+ 0 0 74 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.748 104.6 56.1 -64.5 -29.3 -24.2 -45.0 2.7 35 35 B N H < + 0 0 8 -4,-1.9 3,-1.7 -5,-0.2 -1,-0.2 -0.496 58.6 167.5 -80.8 73.9 -44.6 -47.5 5.2 49 49 B T T 3 S+ 0 0 91 -2,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.639 75.5 47.3 -72.0 -16.2 -47.0 -50.2 6.3 50 50 B N T 3 S- 0 0 91 4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.341 103.6-133.1-100.5 4.4 -49.1 -49.9 3.1 51 51 B H < + 0 0 112 -3,-1.7 -2,-0.1 -6,-0.2 -6,-0.0 0.864 61.9 135.9 46.5 46.7 -46.0 -50.1 1.0 52 52 B N S S- 0 0 84 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.183 75.0-110.5-103.4 10.5 -47.0 -47.1 -1.2 53 53 B G S S+ 0 0 46 -5,-0.2 38,-0.5 1,-0.2 2,-0.3 0.532 89.6 76.4 77.2 5.2 -43.6 -45.5 -1.1 54 54 B S S S- 0 0 21 36,-0.1 2,-0.5 37,-0.1 -2,-0.4 -0.953 74.6-118.3-141.7 166.1 -44.6 -42.6 1.0 55 55 B L E -A 89 0A 0 34,-3.1 34,-2.5 -2,-0.3 -7,-0.1 -0.902 17.3-153.5-112.1 121.4 -45.4 -41.9 4.7 56 56 B S E > -A 88 0A 30 -2,-0.5 4,-1.4 32,-0.2 5,-0.2 -0.376 34.1-107.7 -76.8 167.4 -48.7 -40.6 6.0 57 57 B H H > S+ 0 0 52 30,-0.6 4,-3.1 1,-0.2 3,-0.3 0.942 121.3 50.4 -58.0 -47.1 -48.8 -38.6 9.3 58 58 B R H > S+ 0 0 143 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.902 104.2 56.9 -58.5 -46.1 -50.4 -41.6 11.1 59 59 B E H > S+ 0 0 3 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.873 116.7 35.7 -54.3 -41.7 -47.7 -44.1 9.8 60 60 B I H X S+ 0 0 2 -4,-1.4 4,-2.8 -3,-0.3 3,-0.3 0.897 115.8 56.6 -76.3 -44.4 -45.0 -41.9 11.4 61 61 B Y H X S+ 0 0 74 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.923 104.0 50.6 -54.1 -52.6 -47.2 -40.9 14.4 62 62 B T H X S+ 0 0 80 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.822 114.9 44.2 -63.5 -30.7 -47.9 -44.4 15.6 63 63 B V H X S+ 0 0 51 -4,-0.6 4,-0.6 -3,-0.3 -1,-0.2 0.925 112.5 48.4 -80.4 -45.9 -44.3 -45.4 15.5 64 64 B L H ><>S+ 0 0 40 -4,-2.8 5,-2.1 1,-0.2 3,-1.0 0.909 111.9 53.3 -58.8 -38.9 -42.8 -42.3 17.2 65 65 B A H ><5S+ 0 0 49 -4,-2.7 3,-1.0 -5,-0.3 -1,-0.2 0.899 105.9 52.3 -59.5 -42.7 -45.5 -42.7 19.9 66 66 B S H 3<5S+ 0 0 93 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.534 109.3 51.1 -73.9 -7.9 -44.5 -46.3 20.6 67 67 B V T <<5S- 0 0 108 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.365 124.5 -91.1-114.5 1.1 -40.8 -45.3 21.1 68 68 B G T < 5S+ 0 0 52 -3,-1.0 2,-0.3 -4,-0.4 -3,-0.2 0.392 76.0 136.9 111.7 -4.4 -41.3 -42.4 23.6 69 69 B I < - 0 0 62 -5,-2.1 -1,-0.3 1,-0.1 2,-0.2 -0.619 52.1-125.3 -75.9 136.0 -41.7 -39.2 21.6 70 70 B K >> - 0 0 124 -2,-0.3 4,-2.8 1,-0.1 3,-1.0 -0.493 19.0-107.6 -86.0 152.9 -44.5 -37.1 23.1 71 71 B K H 3> S+ 0 0 130 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.818 117.8 52.1 -41.3 -50.0 -47.5 -35.8 21.1 72 72 B W H 3> S+ 0 0 169 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.855 114.4 43.0 -64.8 -34.6 -46.3 -32.2 21.1 73 73 B D H <> S+ 0 0 70 -3,-1.0 4,-2.6 2,-0.2 -2,-0.2 0.926 111.0 54.1 -73.1 -44.9 -42.9 -33.2 19.7 74 74 B I H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.929 109.0 50.0 -55.3 -47.5 -44.4 -35.7 17.2 75 75 B N H X S+ 0 0 70 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.864 110.3 48.5 -61.9 -38.5 -46.6 -32.9 15.8 76 76 B R H X S+ 0 0 187 -4,-1.3 4,-1.2 2,-0.2 -1,-0.2 0.873 112.6 49.5 -66.8 -37.2 -43.7 -30.5 15.4 77 77 B I H X S+ 0 0 66 -4,-2.6 4,-2.8 2,-0.2 3,-0.3 0.930 109.9 52.0 -63.8 -45.7 -41.7 -33.2 13.7 78 78 B L H X S+ 0 0 2 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.916 110.4 46.3 -58.6 -46.4 -44.6 -33.9 11.3 79 79 B Q H < S+ 0 0 112 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.707 114.1 49.0 -73.6 -20.7 -45.0 -30.3 10.3 80 80 B A H < S+ 0 0 66 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.865 114.7 44.3 -77.1 -43.5 -41.2 -29.9 9.7 81 81 B L H < S+ 0 0 17 -4,-2.8 2,-2.5 1,-0.2 3,-0.2 0.911 100.8 69.4 -64.8 -46.0 -41.0 -33.1 7.6 82 82 B D >< + 0 0 4 -4,-2.6 3,-1.6 -5,-0.2 -1,-0.2 -0.440 62.7 163.6 -77.9 71.2 -44.2 -32.3 5.6 83 83 B I T 3 S+ 0 0 131 -2,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.775 75.0 42.8 -68.9 -25.4 -42.4 -29.5 3.8 84 84 B N T 3 S- 0 0 92 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.341 106.1-127.0 -97.3 4.0 -45.0 -29.4 1.1 85 85 B D < + 0 0 117 -3,-1.6 -2,-0.1 -6,-0.1 4,-0.1 0.917 64.7 138.4 45.6 51.7 -47.9 -29.7 3.5 86 86 B R - 0 0 121 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.513 66.9-123.4 -99.2 -9.1 -49.2 -32.7 1.5 87 87 B G S S+ 0 0 34 1,-0.1 -30,-0.6 -5,-0.1 2,-0.4 0.468 94.1 83.3 72.3 -0.4 -50.3 -35.1 4.2 88 88 B N E S-A 56 0A 75 -32,-0.2 2,-0.5 -31,-0.1 -2,-0.3 -0.998 70.2-153.3-133.6 130.6 -47.9 -37.5 2.5 89 89 B I E -A 55 0A 0 -34,-2.5 -34,-3.1 -2,-0.4 -7,-0.1 -0.925 12.9-137.5-113.7 127.7 -44.2 -37.4 3.2 90 90 B T > - 0 0 47 -2,-0.5 4,-2.4 -36,-0.2 5,-0.2 -0.298 24.2-108.9 -80.4 165.1 -41.7 -38.6 0.6 91 91 B Y H > S+ 0 0 76 -38,-0.5 4,-2.5 1,-0.2 5,-0.2 0.897 121.5 49.7 -51.1 -48.2 -38.6 -40.6 1.0 92 92 B T H > S+ 0 0 99 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.893 111.5 48.0 -62.1 -43.3 -36.4 -37.6 0.4 93 93 B E H > S+ 0 0 24 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.860 112.7 48.5 -66.0 -35.9 -38.4 -35.5 2.9 94 94 B F H >X S+ 0 0 8 -4,-2.4 4,-1.0 1,-0.2 3,-0.5 0.918 112.3 48.7 -68.0 -45.8 -38.2 -38.2 5.6 95 95 B M H 3X S+ 0 0 28 -4,-2.5 4,-1.8 1,-0.2 3,-0.3 0.839 102.4 61.8 -70.6 -31.7 -34.5 -38.6 5.0 96 96 B A H 3< S+ 0 0 53 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.859 110.1 41.7 -57.0 -37.7 -33.8 -34.9 5.2 97 97 B G H << S+ 0 0 56 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.656 116.6 48.2 -86.4 -16.3 -35.1 -34.9 8.8 98 98 B C H < S+ 0 0 53 -4,-1.0 2,-0.3 -3,-0.3 -2,-0.2 0.651 90.9 90.9 -96.2 -22.0 -33.4 -38.1 9.8 99 99 B Y S < S- 0 0 30 -4,-1.8 2,-0.9 -5,-0.1 -62,-0.0 -0.588 76.0-126.2 -86.9 136.7 -29.9 -37.5 8.5 100 100 B R - 0 0 192 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.1 -0.710 25.3-175.7 -82.2 107.6 -27.2 -35.9 10.7 101 101 B W > + 0 0 126 -2,-0.9 3,-1.7 -5,-0.1 -1,-0.2 0.643 39.5 123.5 -80.2 -16.2 -26.0 -32.9 8.6 102 102 B K T 3 S+ 0 0 158 1,-0.3 -2,-0.1 2,-0.0 0, 0.0 -0.165 82.0 8.8 -51.2 131.8 -23.2 -31.9 11.0 103 103 B N T 3 0 0 101 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.643 360.0 360.0 69.2 19.7 -19.7 -31.8 9.3 104 104 B I < 0 0 120 -3,-1.7 -1,-0.2 3,-0.0 -3,-0.1 -0.384 360.0 360.0 -70.7 360.0 -21.2 -32.3 5.8 105 ! 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 0.0 106 107 B T > 0 0 102 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 149.0 -16.1 -31.8 2.0 107 108 B F H > + 0 0 90 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.862 360.0 46.9 -55.2 -41.3 -14.8 -35.3 0.9 108 109 B L H > S+ 0 0 20 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.857 110.1 52.2 -73.0 -35.9 -11.4 -33.8 -0.2 109 110 B K H > S+ 0 0 78 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.928 110.3 48.3 -65.9 -45.1 -11.0 -31.8 3.0 110 111 B A H X S+ 0 0 33 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.848 112.1 49.1 -63.7 -38.4 -11.7 -34.9 5.2 111 112 B A H X S+ 0 0 0 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.934 111.1 49.9 -65.0 -48.2 -9.2 -37.0 3.2 112 113 B F H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.905 109.5 52.0 -53.9 -46.6 -6.6 -34.2 3.5 113 114 B N H < S+ 0 0 82 -4,-2.4 6,-0.3 1,-0.2 -1,-0.2 0.878 107.4 51.8 -63.0 -39.3 -7.1 -34.0 7.3 114 115 B K H < S+ 0 0 122 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.866 112.5 46.4 -62.6 -35.9 -6.6 -37.8 7.7 115 116 B I H < S+ 0 0 5 -4,-1.8 2,-1.9 1,-0.2 -2,-0.2 0.862 96.1 73.9 -76.5 -38.4 -3.3 -37.6 5.7 116 117 B D >< - 0 0 3 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 -0.574 68.1-178.4 -74.6 81.1 -2.0 -34.5 7.6 117 118 B K T 3 S+ 0 0 127 -2,-1.9 -1,-0.2 1,-0.3 6,-0.1 0.872 76.9 44.1 -54.5 -42.8 -1.3 -36.6 10.8 118 119 B D T 3 S- 0 0 125 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.245 103.3-127.7 -94.0 11.1 -0.0 -33.7 12.8 119 120 B E < + 0 0 167 -3,-1.8 -2,-0.1 -6,-0.3 -6,-0.1 0.771 65.6 134.8 51.5 35.7 -2.8 -31.3 11.8 120 121 B D S S- 0 0 83 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.426 75.7-110.6 -90.9 -1.8 -0.4 -28.6 10.8 121 122 B G S S+ 0 0 35 1,-0.2 38,-0.4 -5,-0.1 2,-0.4 0.502 87.1 92.9 84.2 6.2 -2.3 -27.8 7.5 122 123 B Y - 0 0 117 36,-0.1 2,-0.8 37,-0.1 -2,-0.3 -0.994 68.8-135.4-132.5 138.4 0.4 -29.2 5.1 123 124 B I B -B 157 0B 0 34,-3.0 34,-1.0 -2,-0.4 2,-0.1 -0.827 34.1-169.0 -89.4 108.1 0.9 -32.7 3.6 124 125 B S > - 0 0 19 -2,-0.8 4,-1.2 32,-0.2 32,-0.1 -0.341 38.3-102.2 -88.2 171.6 4.6 -33.4 4.0 125 126 B K H > S+ 0 0 58 30,-0.4 4,-2.4 1,-0.2 3,-0.4 0.905 124.6 53.4 -56.5 -42.7 6.8 -36.2 2.5 126 127 B S H > S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.805 101.1 59.3 -68.3 -29.0 6.6 -38.0 5.8 127 128 B D H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.861 109.8 43.6 -64.2 -34.1 2.7 -37.8 5.8 128 129 B I H X S+ 0 0 0 -4,-1.2 4,-2.0 -3,-0.4 -2,-0.2 0.867 109.3 55.8 -78.4 -39.6 2.8 -39.8 2.5 129 130 B V H < S+ 0 0 64 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.926 112.1 45.2 -54.2 -41.8 5.4 -42.2 3.8 130 131 B S H >< S+ 0 0 28 -4,-2.1 3,-2.1 1,-0.2 4,-0.2 0.934 107.1 57.0 -70.4 -44.3 3.0 -42.9 6.6 131 132 B L H 3< S+ 0 0 32 -4,-2.0 3,-0.4 1,-0.3 -1,-0.2 0.857 112.9 42.0 -52.6 -36.6 -0.0 -43.1 4.3 132 133 B V T >< S+ 0 0 9 -4,-2.0 3,-2.2 1,-0.2 -1,-0.3 0.202 77.6 116.9-100.1 19.1 1.7 -45.9 2.4 133 134 B H T < S+ 0 0 145 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.758 81.5 43.2 -60.7 -27.0 3.1 -47.7 5.5 134 135 B D T 3 S+ 0 0 102 -3,-0.4 2,-0.3 -4,-0.2 -1,-0.3 0.089 103.6 83.5-104.5 23.4 1.0 -50.8 4.7 135 136 B K S < S- 0 0 92 -3,-2.2 -3,-0.0 2,-0.2 0, 0.0 -0.950 81.7-124.5-129.1 146.7 1.8 -50.8 1.0 136 137 B V S S+ 0 0 151 -2,-0.3 -3,-0.1 2,-0.0 -1,-0.0 0.595 72.7 122.1 -68.6 -9.8 4.8 -52.2 -0.9 137 138 B L - 0 0 31 -5,-0.1 -2,-0.2 1,-0.1 2,-0.1 -0.067 44.1-163.2 -51.8 153.3 5.4 -48.7 -2.5 138 139 B D > - 0 0 92 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 -0.443 38.3 -70.8-129.0-165.1 8.8 -46.9 -1.9 139 140 B N H > S+ 0 0 81 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.768 121.7 60.3 -70.2 -29.0 10.5 -43.5 -2.1 140 141 B N H > S+ 0 0 104 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.942 105.8 48.1 -60.0 -49.7 10.5 -43.4 -6.0 141 142 B D H > S+ 0 0 51 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.900 110.6 51.7 -57.1 -44.3 6.7 -43.6 -6.1 142 143 B I H X S+ 0 0 4 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.915 107.4 51.1 -63.6 -46.0 6.3 -40.8 -3.4 143 144 B D H X S+ 0 0 65 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.901 107.4 54.2 -59.1 -45.2 8.6 -38.4 -5.3 144 145 B N H X S+ 0 0 79 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.898 106.4 52.9 -50.4 -46.5 6.6 -38.8 -8.5 145 146 B F H X S+ 0 0 4 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.892 108.6 48.4 -61.6 -41.6 3.4 -38.0 -6.5 146 147 B F H X S+ 0 0 1 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.868 111.3 50.4 -68.1 -36.6 4.9 -34.7 -5.2 147 148 B L H X S+ 0 0 118 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.922 110.2 50.6 -64.7 -44.5 6.1 -33.7 -8.7 148 149 B S H >< S+ 0 0 48 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.937 110.4 48.8 -58.0 -50.5 2.6 -34.4 -10.1 149 150 B V H >< S+ 0 0 5 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.900 116.3 42.8 -55.0 -44.4 0.9 -32.3 -7.4 150 151 B H H 3< S+ 0 0 70 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.498 97.3 74.9 -87.2 -5.4 3.3 -29.3 -8.0 151 152 B S T << 0 0 81 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.1 0.088 360.0 360.0 -87.8 21.9 3.2 -29.7 -11.9 152 153 B I < 0 0 124 -3,-0.6 -2,-0.2 9,-0.0 -3,-0.1 0.307 360.0 360.0-139.3 360.0 -0.3 -28.1 -11.7 153 ! 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 0.0 154 163 B I 0 0 125 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 121.0 8.8 -26.4 -0.4 155 164 B N + 0 0 78 2,-0.0 -30,-0.4 -5,-0.0 2,-0.3 -0.492 360.0 103.9-101.6 57.6 8.1 -30.2 -0.8 156 165 B K - 0 0 85 -2,-0.4 2,-0.4 -32,-0.1 -32,-0.2 -0.863 63.4-134.2-132.6 163.5 4.8 -29.8 1.1 157 166 B I B -B 123 0B 0 -34,-1.0 -34,-3.0 -2,-0.3 2,-0.1 -0.975 9.3-154.4-133.0 119.7 1.2 -29.6 -0.1 158 167 B S > - 0 0 28 -2,-0.4 4,-2.3 -36,-0.2 5,-0.2 -0.348 37.7-103.8 -76.6 168.3 -1.5 -27.2 1.1 159 168 B F H > S+ 0 0 38 -38,-0.4 4,-3.3 1,-0.2 5,-0.2 0.874 122.7 53.5 -60.9 -36.9 -5.2 -28.1 0.9 160 169 B Q H > S+ 0 0 105 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.913 111.1 43.6 -66.2 -45.2 -5.6 -25.9 -2.2 161 170 B E H > S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.837 115.7 50.2 -67.1 -35.3 -2.7 -27.7 -4.0 162 171 B F H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.957 113.6 44.8 -63.4 -52.6 -4.1 -31.0 -2.8 163 172 B K H X S+ 0 0 65 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.888 112.2 52.0 -59.2 -44.7 -7.6 -30.1 -4.0 164 173 B D H X S+ 0 0 74 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.896 111.3 47.0 -63.3 -42.1 -6.3 -28.8 -7.3 165 174 B Y H < S+ 0 0 20 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.960 113.1 47.0 -63.7 -50.4 -4.3 -32.0 -8.1 166 175 B M H >X S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 4,-0.5 0.921 110.9 52.2 -60.4 -45.0 -7.1 -34.4 -7.2 167 176 B L H >< S+ 0 0 93 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.867 104.0 57.6 -57.8 -39.3 -9.7 -32.4 -9.2 168 177 B S T 3< S+ 0 0 63 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.583 103.8 54.1 -66.4 -11.9 -7.4 -32.5 -12.3 169 178 B T T <4 0 0 8 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.501 360.0 360.0-101.6 -8.9 -7.4 -36.3 -12.1 170 179 B F << 0 0 147 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.1 0.321 360.0 360.0 -81.9 360.0 -11.2 -36.7 -12.2