==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-SEP-09 3K21 . COMPND 2 MOLECULE: CALCIUM-DEPENDENT PROTEIN KINASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR A.K.WERNIMONT,A.HUTCHINSON,J.D.ARTZ,F.MACKENZIE,D.COSSAR, . 178 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10878.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 69.7 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 2.8 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 . 9 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 52.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 0 3 0 2 1 0 1 1 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 14 A L > 0 0 161 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 128.8 20.9 15.2 -25.5 2 15 A Y H > + 0 0 172 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.917 360.0 52.3 -72.6 -43.1 23.9 14.2 -23.5 3 16 A F H > S+ 0 0 153 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.917 114.6 42.7 -67.0 -42.6 25.6 17.5 -23.3 4 17 A Q H > S+ 0 0 129 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.894 110.7 57.5 -68.3 -40.6 22.5 19.2 -22.1 5 18 A G H X S+ 0 0 32 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.849 101.6 56.7 -56.5 -45.1 21.8 16.3 -19.7 6 19 A I H X S+ 0 0 68 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.938 109.0 44.3 -52.9 -50.9 25.1 16.7 -18.1 7 20 A H H X S+ 0 0 102 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.902 113.5 51.5 -70.0 -34.7 24.4 20.3 -17.1 8 21 A V H X S+ 0 0 59 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.969 112.3 45.3 -60.9 -53.4 20.9 19.4 -16.0 9 22 A L H X S+ 0 0 87 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.911 112.7 50.4 -58.0 -45.0 22.2 16.6 -13.7 10 23 A E H X S+ 0 0 40 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.876 109.9 50.4 -65.2 -39.8 25.0 18.6 -12.2 11 24 A N H X S+ 0 0 79 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.908 109.3 52.4 -62.9 -38.8 22.6 21.5 -11.5 12 25 A F H X S+ 0 0 138 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.939 109.1 49.2 -59.7 -44.0 20.3 18.9 -9.7 13 26 A K H X S+ 0 0 60 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.906 110.8 50.8 -64.1 -41.7 23.2 17.7 -7.6 14 27 A N H X S+ 0 0 7 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.922 106.5 54.0 -60.4 -45.8 24.0 21.3 -6.7 15 28 A Y H X S+ 0 0 167 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.928 111.7 46.1 -54.3 -47.5 20.4 22.0 -5.7 16 29 A G H X S+ 0 0 36 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.892 111.7 49.7 -67.5 -42.6 20.5 19.1 -3.3 17 30 A L H X S+ 0 0 18 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.879 107.3 54.0 -63.3 -39.4 23.8 19.9 -1.8 18 31 A L H X S+ 0 0 27 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.889 109.1 49.2 -62.5 -39.7 22.9 23.5 -1.1 19 32 A L H X S+ 0 0 74 -4,-1.6 4,-2.4 -5,-0.2 5,-0.2 0.927 112.3 48.7 -61.7 -46.9 19.8 22.2 0.8 20 33 A K H X S+ 0 0 83 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.899 109.5 52.6 -59.1 -45.3 22.0 19.8 2.7 21 34 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.943 112.1 44.0 -59.8 -48.6 24.5 22.6 3.5 22 35 A Q H X S+ 0 0 37 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.887 113.8 50.6 -65.0 -43.5 21.8 25.0 4.9 23 36 A K H X S+ 0 0 37 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.910 111.0 48.9 -64.3 -38.6 20.1 22.2 7.0 24 37 A L H X S+ 0 0 53 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.929 109.1 52.9 -67.3 -41.6 23.5 21.1 8.5 25 38 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.917 109.5 49.2 -53.6 -45.4 24.2 24.8 9.4 26 39 A M H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.877 110.4 50.3 -61.5 -41.3 20.8 24.9 11.1 27 40 A T H X S+ 0 0 25 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.908 108.6 52.1 -64.7 -41.2 21.6 21.7 13.0 28 41 A I H X S+ 0 0 14 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.927 109.5 50.7 -60.0 -43.1 25.0 23.1 14.1 29 42 A I H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 6,-0.3 0.937 110.5 48.8 -58.5 -46.4 23.2 26.2 15.4 30 43 A A H < S+ 0 0 3 -4,-2.4 4,-0.2 1,-0.2 -1,-0.2 0.880 119.1 39.1 -63.1 -36.3 20.7 24.0 17.4 31 44 A Q H < S+ 0 0 108 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.830 129.2 24.8 -79.8 -35.5 23.6 22.0 18.9 32 45 A Q H < S+ 0 0 93 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.545 97.2 81.0-115.6 -11.0 26.2 24.6 19.5 33 46 A S < - 0 0 7 -4,-2.2 3,-0.1 -5,-0.3 -3,-0.1 0.799 63.7-156.6 -70.9 -34.4 24.6 28.0 19.9 34 47 A N + 0 0 124 -5,-0.3 2,-0.3 -4,-0.2 -1,-0.1 0.729 37.4 157.0 55.2 28.9 23.4 27.9 23.5 35 48 A D > - 0 0 39 -6,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.628 45.6-136.4 -87.7 131.5 20.9 30.6 22.6 36 49 A Y H > S+ 0 0 147 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.899 103.1 49.3 -55.6 -48.5 17.9 30.7 24.8 37 50 A D H > S+ 0 0 91 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.933 113.6 46.9 -61.3 -43.0 15.3 31.0 22.0 38 51 A V H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.910 111.6 51.8 -63.3 -42.2 16.9 28.1 20.2 39 52 A E H X S+ 0 0 76 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.846 105.6 54.4 -62.9 -35.6 17.0 26.1 23.4 40 53 A K H X S+ 0 0 118 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.873 106.7 50.9 -66.0 -37.1 13.3 26.8 24.0 41 54 A L H X S+ 0 0 37 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.884 107.5 54.7 -63.3 -39.5 12.5 25.4 20.4 42 55 A K H X S+ 0 0 56 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.877 104.6 53.6 -62.7 -35.9 14.5 22.3 21.3 43 56 A S H X S+ 0 0 57 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.926 106.4 52.3 -62.8 -40.8 12.3 22.0 24.4 44 57 A T H X S+ 0 0 56 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.912 108.2 51.2 -56.2 -44.7 9.2 22.1 22.1 45 58 A F H X S+ 0 0 10 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.919 106.0 54.9 -64.0 -39.8 10.7 19.3 20.0 46 59 A L H < S+ 0 0 128 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.916 108.9 48.4 -56.4 -43.2 11.3 17.2 23.1 47 60 A V H < S+ 0 0 89 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.912 113.7 46.2 -62.2 -45.4 7.6 17.5 24.0 48 61 A L H < S+ 0 0 8 -4,-2.3 2,-1.9 1,-0.2 -2,-0.2 0.852 99.8 69.8 -67.9 -38.4 6.5 16.6 20.4 49 62 A D >< + 0 0 16 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 -0.543 63.3 166.8 -81.5 71.0 8.9 13.6 20.2 50 63 A E T 3 S+ 0 0 122 -2,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.648 71.1 46.3 -70.2 -22.4 7.0 11.6 22.8 51 64 A D T 3 S- 0 0 105 4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.307 107.8-120.0-100.9 2.4 8.7 8.2 22.0 52 65 A G < + 0 0 63 -3,-1.5 -2,-0.1 -6,-0.2 4,-0.1 0.843 69.3 134.5 64.2 37.1 12.2 9.7 22.0 53 66 A K S S- 0 0 115 2,-0.4 3,-0.1 39,-0.0 -1,-0.1 0.662 70.5-117.1 -88.2 -21.5 13.0 8.7 18.5 54 67 A G S S+ 0 0 33 1,-0.2 39,-1.9 -9,-0.1 2,-0.3 0.503 91.4 62.6 89.9 -1.7 14.6 11.9 17.2 55 68 A Y E -A 92 0A 85 37,-0.2 -2,-0.4 38,-0.1 2,-0.4 -0.975 68.9-143.4-150.8 158.6 11.8 12.3 14.7 56 69 A I E -A 91 0A 0 35,-2.8 35,-3.1 -2,-0.3 -7,-0.1 -0.951 16.9-122.6-127.1 143.4 8.1 12.8 14.7 57 70 A T > - 0 0 39 -2,-0.4 4,-2.3 33,-0.2 5,-0.2 -0.364 33.0-109.3 -75.4 160.2 5.3 11.6 12.5 58 71 A K H > S+ 0 0 53 31,-0.5 4,-2.6 1,-0.2 5,-0.2 0.919 121.8 53.6 -57.4 -39.2 3.0 14.0 10.8 59 72 A E H > S+ 0 0 120 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.893 107.1 50.1 -58.5 -47.4 0.3 12.8 13.2 60 73 A Q H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.876 110.8 49.2 -60.0 -42.6 2.4 13.5 16.2 61 74 A L H X S+ 0 0 9 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.942 114.4 44.8 -65.0 -48.0 3.3 17.0 15.0 62 75 A K H X S+ 0 0 61 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.953 116.2 45.4 -57.8 -53.4 -0.4 17.8 14.3 63 76 A K H X S+ 0 0 113 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.883 111.8 53.0 -58.3 -41.4 -1.7 16.4 17.6 64 77 A G H X S+ 0 0 8 -4,-2.2 4,-1.0 -5,-0.3 -1,-0.2 0.920 111.5 44.9 -64.4 -40.3 1.1 18.1 19.5 65 78 A L H ><>S+ 0 0 33 -4,-2.3 5,-1.6 1,-0.2 3,-0.5 0.908 111.6 52.6 -71.0 -37.2 0.3 21.5 18.1 66 79 A E H ><5S+ 0 0 105 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.895 103.6 57.9 -62.6 -36.4 -3.4 20.9 18.6 67 80 A K H 3<5S+ 0 0 140 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.802 99.3 60.2 -64.8 -27.3 -2.7 20.1 22.3 68 81 A D T <<5S- 0 0 104 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.574 125.0-104.7 -71.3 -11.0 -1.1 23.5 22.6 69 82 A G T < 5S+ 0 0 65 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.427 71.5 146.8 96.6 11.6 -4.5 25.0 21.6 70 83 A L < - 0 0 87 -5,-1.6 2,-0.6 1,-0.1 -1,-0.3 -0.416 47.0-137.0 -84.6 150.5 -3.6 26.0 18.0 71 84 A K - 0 0 197 -2,-0.1 -1,-0.1 0, 0.0 3,-0.1 -0.897 27.4-146.1-100.6 112.5 -5.9 26.0 15.0 72 85 A L - 0 0 40 -2,-0.6 4,-0.1 1,-0.1 -10,-0.0 -0.570 22.4-100.3 -80.8 150.5 -4.0 24.4 12.2 73 86 A P > - 0 0 57 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.304 27.3-123.2 -65.7 150.0 -4.4 25.6 8.6 74 87 A Y T 3 S+ 0 0 233 1,-0.3 3,-0.5 2,-0.1 -2,-0.1 0.862 114.4 55.2 -68.3 -27.3 -6.7 23.3 6.7 75 88 A N T >> S+ 0 0 107 1,-0.2 4,-1.6 2,-0.1 3,-0.8 0.006 70.9 119.9 -83.3 21.0 -3.7 22.9 4.2 76 89 A F H <> + 0 0 19 -3,-1.9 4,-2.7 1,-0.3 -1,-0.2 0.816 64.2 64.7 -63.7 -32.3 -1.3 21.8 7.0 77 90 A D H 3> S+ 0 0 86 -3,-0.5 4,-1.8 2,-0.2 -1,-0.3 0.893 102.2 47.8 -58.9 -39.7 -0.7 18.5 5.2 78 91 A L H <> S+ 0 0 75 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.897 111.3 51.8 -63.5 -42.1 0.9 20.3 2.3 79 92 A L H X S+ 0 0 66 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.910 106.8 52.8 -60.3 -42.8 3.0 22.3 4.7 80 93 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.886 106.4 53.5 -60.8 -38.4 4.1 19.2 6.5 81 94 A D H < S+ 0 0 90 -4,-1.8 6,-0.2 1,-0.2 -1,-0.2 0.907 109.7 48.6 -63.9 -35.6 5.2 17.8 3.1 82 95 A Q H < S+ 0 0 136 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.885 110.1 50.5 -70.1 -38.0 7.3 20.9 2.6 83 96 A I H < S+ 0 0 31 -4,-2.4 2,-2.3 1,-0.2 -1,-0.2 0.853 95.3 72.4 -65.6 -36.5 8.8 20.6 6.0 84 97 A D >< + 0 0 12 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 -0.513 68.7 168.6 -73.9 69.6 9.7 17.0 5.3 85 98 A S T 3 + 0 0 64 -2,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.655 69.8 49.8 -72.5 -20.6 12.4 18.4 2.9 86 99 A D T 3 S- 0 0 88 -3,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.458 106.2-126.9 -91.0 -0.6 14.1 15.0 2.5 87 100 A G < + 0 0 59 -3,-1.8 -2,-0.1 -6,-0.2 4,-0.1 0.644 65.1 135.8 67.0 19.2 10.9 13.2 1.7 88 101 A S S S- 0 0 76 2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.648 71.2-117.2 -72.8 -18.6 11.2 10.5 4.3 89 102 A G S S+ 0 0 34 1,-0.3 -31,-0.5 -5,-0.2 2,-0.3 0.262 89.1 73.4 100.1 -18.1 7.6 10.8 5.4 90 103 A K S S- 0 0 89 -33,-0.1 2,-0.7 -32,-0.1 -2,-0.3 -0.875 81.8-117.0-125.9 159.4 8.5 11.9 9.0 91 104 A I E -A 56 0A 0 -35,-3.1 -35,-2.8 -2,-0.3 -7,-0.1 -0.877 31.9-161.2-104.1 109.4 9.9 15.1 10.4 92 105 A D E > -A 55 0A 45 -2,-0.7 4,-2.6 -37,-0.3 -37,-0.2 -0.315 35.5 -96.8 -85.0 168.7 13.3 14.7 11.9 93 106 A Y H > S+ 0 0 45 -39,-1.9 4,-2.5 1,-0.2 5,-0.2 0.893 123.9 52.6 -47.7 -48.8 15.0 17.0 14.4 94 107 A T H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.903 110.6 46.8 -60.2 -44.8 16.9 18.8 11.7 95 108 A E H > S+ 0 0 1 2,-0.2 4,-1.5 1,-0.2 5,-0.3 0.864 110.4 52.9 -64.6 -40.4 13.8 19.4 9.6 96 109 A F H >X S+ 0 0 19 -4,-2.6 4,-2.6 1,-0.2 3,-0.6 0.967 114.0 42.6 -61.6 -46.3 11.9 20.7 12.6 97 110 A I H 3X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.911 110.0 56.2 -59.5 -48.5 14.7 23.2 13.4 98 111 A A H 3< S+ 0 0 26 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.727 119.8 32.2 -62.6 -24.2 15.1 24.1 9.7 99 112 A A H << S+ 0 0 56 -4,-1.5 -1,-0.2 -3,-0.6 -2,-0.2 0.672 123.0 43.7-100.6 -28.6 11.3 25.1 9.6 100 113 A A H < S+ 0 0 38 -4,-2.6 2,-1.1 -5,-0.3 -2,-0.2 0.743 99.6 71.1 -89.3 -31.7 10.7 26.4 13.1 101 114 A L S < S- 0 0 3 -4,-2.5 -1,-0.2 -5,-0.2 5,-0.1 -0.822 86.3-142.1 -87.3 84.4 13.9 28.5 13.5 102 115 A D > - 0 0 97 -2,-1.1 3,-1.5 1,-0.1 4,-0.3 -0.225 8.7-130.4 -43.2 134.1 13.1 31.4 11.2 103 116 A R G > S+ 0 0 54 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.821 105.5 64.8 -62.5 -32.6 16.0 32.7 9.2 104 117 A K G 3 S+ 0 0 162 1,-0.3 -1,-0.3 73,-0.0 -2,-0.1 0.803 95.6 57.6 -55.9 -33.6 15.2 36.2 10.2 105 118 A Q G < S+ 0 0 95 -3,-1.5 2,-1.1 2,-0.1 -1,-0.3 0.462 78.2 108.9 -77.7 -4.5 15.9 35.3 13.8 106 119 A L < - 0 0 1 -3,-1.9 -3,-0.0 -4,-0.3 2,-0.0 -0.657 56.5-162.6 -80.6 98.7 19.4 34.2 13.0 107 120 A S > - 0 0 55 -2,-1.1 4,-2.6 1,-0.1 5,-0.2 -0.252 37.0 -96.6 -68.4 169.5 21.6 37.0 14.5 108 121 A K H > S+ 0 0 154 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.878 127.2 54.3 -55.0 -42.1 25.3 37.5 13.5 109 122 A K H > S+ 0 0 134 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.921 108.5 47.3 -60.3 -46.3 26.2 35.4 16.5 110 123 A L H > S+ 0 0 5 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.913 113.2 47.4 -63.3 -44.4 24.0 32.5 15.5 111 124 A I H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 3,-0.5 0.915 109.4 54.3 -65.7 -36.0 25.3 32.5 12.0 112 125 A Y H X S+ 0 0 101 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.859 98.1 64.7 -63.1 -34.5 28.9 32.7 13.2 113 126 A C H < S+ 0 0 18 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.902 111.2 35.5 -55.0 -44.5 28.3 29.7 15.3 114 127 A A H >X S+ 0 0 0 -4,-1.1 4,-1.6 -3,-0.5 3,-1.3 0.911 113.5 58.9 -73.1 -43.4 27.8 27.6 12.1 115 128 A F H 3X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.3 -2,-0.2 0.894 100.6 55.3 -51.1 -47.5 30.4 29.5 10.1 116 129 A R H 3< S+ 0 0 113 -4,-2.7 -1,-0.3 1,-0.2 6,-0.2 0.666 104.5 54.7 -69.3 -18.4 33.2 28.6 12.4 117 130 A V H <4 S+ 0 0 30 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.902 111.4 42.6 -75.7 -42.2 32.5 24.9 12.1 118 131 A F H < S+ 0 0 0 -4,-1.6 2,-2.0 1,-0.2 9,-0.2 0.863 104.1 68.0 -69.4 -34.0 32.7 24.9 8.3 119 132 A D S >< S+ 0 0 1 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 -0.559 73.3 177.9 -82.9 73.7 35.8 27.2 8.5 120 133 A V T 3 S+ 0 0 54 -2,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.852 72.6 42.3 -51.7 -48.2 37.8 24.3 10.0 121 134 A D T 3 S- 0 0 95 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.403 103.2-127.1 -88.6 6.1 41.1 26.1 10.3 122 135 A N < + 0 0 95 -3,-2.0 -2,-0.1 -6,-0.2 4,-0.1 0.776 67.5 131.0 59.8 31.8 39.6 29.3 11.5 123 136 A D S S- 0 0 86 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.411 81.1-104.2 -94.7 3.0 41.3 31.6 8.9 124 137 A G S S+ 0 0 29 -5,-0.2 45,-0.5 1,-0.1 2,-0.4 0.431 94.0 87.8 92.3 0.8 37.9 33.4 8.1 125 138 A E - 0 0 48 43,-0.1 2,-0.6 44,-0.1 -2,-0.3 -0.985 67.4-140.9-137.2 125.8 37.4 31.6 4.8 126 139 A I B -B 167 0B 0 41,-3.1 41,-2.3 -2,-0.4 2,-0.2 -0.746 27.3-161.1 -83.4 118.9 35.6 28.3 4.0 127 140 A T > - 0 0 33 -2,-0.6 4,-2.6 -9,-0.2 5,-0.3 -0.531 31.1-107.0 -93.0 165.5 37.6 26.4 1.3 128 141 A T H > S+ 0 0 26 37,-0.3 4,-2.7 1,-0.2 5,-0.2 0.925 120.2 51.3 -58.3 -42.4 36.4 23.6 -0.9 129 142 A A H > S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 111.1 47.4 -66.3 -40.5 38.5 21.1 1.0 130 143 A E H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.945 114.2 46.1 -63.6 -48.2 37.1 22.2 4.4 131 144 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.903 112.1 51.3 -63.4 -42.0 33.5 22.2 3.3 132 145 A A H X>S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.3 5,-0.5 0.902 109.3 50.2 -61.7 -43.2 33.9 18.8 1.6 133 146 A H H X>S+ 0 0 34 -4,-2.2 4,-2.2 -5,-0.2 5,-1.1 0.945 112.8 46.2 -64.6 -41.1 35.4 17.2 4.7 134 147 A I H X5S+ 0 0 18 -4,-2.3 4,-0.8 4,-0.2 -2,-0.2 0.956 118.6 41.6 -63.4 -49.4 32.5 18.6 6.9 135 148 A L H <5S+ 0 0 15 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.894 130.2 24.8 -64.9 -39.3 29.8 17.4 4.5 136 149 A Y H <5S+ 0 0 72 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.798 134.1 29.1-102.6 -32.1 31.3 14.0 3.6 137 150 A N H < - 0 0 65 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.492 25.2-108.5-104.5 166.5 38.3 12.5 -3.8 146 159 A Q H > S+ 0 0 129 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.857 121.3 58.0 -65.3 -32.2 38.8 15.2 -6.5 147 160 A R H > S+ 0 0 168 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.922 105.9 49.2 -61.9 -42.9 35.3 14.5 -7.7 148 161 A D H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.919 111.6 48.5 -57.8 -45.6 34.1 15.4 -4.2 149 162 A V H X S+ 0 0 23 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.939 110.4 51.3 -62.8 -42.8 36.1 18.5 -4.2 150 163 A N H X S+ 0 0 86 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.891 108.2 52.4 -61.5 -40.7 34.8 19.4 -7.7 151 164 A R H X S+ 0 0 55 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.926 112.4 45.1 -59.7 -46.1 31.2 18.9 -6.5 152 165 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.890 109.0 56.3 -68.1 -37.4 31.7 21.2 -3.6 153 166 A K H X S+ 0 0 104 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.909 104.5 53.2 -56.8 -41.5 33.5 23.8 -5.8 154 167 A R H X S+ 0 0 72 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.906 110.1 47.7 -62.5 -40.3 30.4 23.9 -8.0 155 168 A M H >X S+ 0 0 0 -4,-1.5 3,-1.2 1,-0.2 4,-0.5 0.925 107.0 55.5 -70.3 -38.9 28.3 24.6 -4.9 156 169 A I H >X S+ 0 0 3 -4,-2.7 4,-2.8 1,-0.3 3,-1.7 0.865 96.6 66.9 -57.5 -38.1 30.7 27.4 -3.6 157 170 A R H 3< S+ 0 0 154 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.851 97.4 53.4 -56.2 -29.1 30.3 29.0 -7.0 158 171 A D H << S+ 0 0 87 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.654 118.7 33.9 -75.9 -18.3 26.6 29.6 -6.0 159 172 A V H << S+ 0 0 10 -3,-1.7 -2,-0.2 -4,-0.5 -1,-0.2 0.654 92.5 101.2-109.1 -30.3 27.5 31.4 -2.7 160 173 A D < + 0 0 24 -4,-2.8 7,-0.1 1,-0.1 0, 0.0 -0.372 39.6 177.3 -63.6 139.8 30.7 33.2 -3.6 161 174 A K S S+ 0 0 116 -2,-0.0 -1,-0.1 0, 0.0 6,-0.1 0.328 77.1 44.0-122.8 -6.6 30.3 36.9 -4.2 162 175 A N S S- 0 0 79 4,-0.3 -2,-0.1 0, 0.0 0, 0.0 0.246 101.7-118.8-129.7 14.0 33.9 38.0 -4.9 163 176 A N S S+ 0 0 152 1,-0.1 -6,-0.0 -6,-0.1 -3,-0.0 0.692 76.8 121.3 61.6 27.9 35.2 35.2 -7.1 164 177 A D S S- 0 0 69 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.479 78.7-120.0 -97.8 -2.5 37.9 33.9 -4.8 165 178 A G S S+ 0 0 22 1,-0.3 -37,-0.3 -9,-0.1 2,-0.3 0.571 82.3 96.5 73.5 10.4 36.5 30.4 -4.6 166 179 A K S S- 0 0 86 -39,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.880 71.6-125.9-128.2 158.2 36.1 30.6 -0.8 167 180 A I B -B 126 0B 0 -41,-2.3 -41,-3.1 -2,-0.3 2,-0.1 -0.930 25.8-169.1-108.6 116.9 33.1 31.5 1.4 168 181 A D > - 0 0 32 -2,-0.6 4,-2.6 -43,-0.2 5,-0.2 -0.354 41.8 -91.7 -92.1 176.7 33.6 34.3 3.9 169 182 A F H > S+ 0 0 56 -45,-0.5 4,-2.8 1,-0.2 5,-0.2 0.914 124.9 51.2 -58.7 -44.4 31.3 35.2 6.7 170 183 A H H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.929 111.9 46.5 -57.1 -48.5 29.4 37.8 4.7 171 184 A E H > S+ 0 0 2 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.889 112.6 50.5 -61.2 -41.9 28.8 35.3 1.9 172 185 A F H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 3,-0.5 0.917 109.2 51.2 -61.5 -45.3 27.8 32.6 4.3 173 186 A S H X S+ 0 0 22 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.892 105.8 55.8 -61.7 -36.8 25.3 34.9 6.0 174 187 A E H < S+ 0 0 87 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.743 107.9 49.1 -68.9 -23.6 23.8 35.8 2.6 175 188 A M H < S+ 0 0 25 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.882 113.9 45.4 -73.1 -42.3 23.2 32.1 2.0 176 189 A M H < S+ 0 0 0 -4,-2.2 2,-0.4 -5,-0.1 -2,-0.2 0.788 113.1 52.3 -73.3 -34.0 21.6 31.7 5.4 177 190 A K < 0 0 55 -4,-2.1 -73,-0.0 -5,-0.2 -1,-0.0 -0.896 360.0 360.0-106.1 141.1 19.4 34.7 5.3 178 191 A L 0 0 218 -2,-0.4 -3,-0.1 0, 0.0 -2,-0.1 -0.293 360.0 360.0 -83.4 360.0 17.0 35.6 2.5