==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-JUL-10 3O4Y . COMPND 2 MOLECULE: CALCIUM-DEPENDENT PROTEIN KINASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM VIVAX; . AUTHOR A.K.WERNIMONT,A.HUTCHINSON,H.SULLIVAN,J.WEADGE,A.BOCHKAREV, . 172 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10923.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 74.4 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 . 7 4.1 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 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 51.2 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 1 1 2 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 13 A N >> 0 0 135 0, 0.0 4,-3.2 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 81.0 6.0 27.6 -37.0 2 14 A L H 3> + 0 0 89 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.816 360.0 52.3 -43.7 -44.9 3.4 27.8 -34.1 3 15 A Y H 3> S+ 0 0 161 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.903 113.8 43.4 -61.6 -47.4 2.9 24.0 -34.2 4 16 A F H <> S+ 0 0 108 -3,-0.6 4,-1.3 2,-0.2 -2,-0.2 0.922 112.4 52.7 -59.9 -50.1 6.6 23.4 -33.9 5 17 A Q H < S+ 0 0 111 -4,-3.2 3,-0.2 1,-0.2 -2,-0.2 0.882 111.4 47.1 -57.9 -38.6 7.0 26.1 -31.2 6 18 A G H >< S+ 0 0 46 -4,-2.4 3,-1.2 -5,-0.3 -1,-0.2 0.835 105.9 58.1 -70.1 -35.7 4.3 24.5 -29.2 7 19 A K H 3< S+ 0 0 145 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.766 111.0 42.9 -68.1 -26.7 5.8 21.0 -29.6 8 20 A I T 3< S+ 0 0 97 -4,-1.3 2,-0.5 -3,-0.2 -1,-0.3 0.194 83.9 120.0-103.2 12.5 9.1 22.2 -28.0 9 21 A D < + 0 0 91 -3,-1.2 3,-0.2 1,-0.1 -3,-0.0 -0.708 35.0 177.0 -79.6 122.7 7.4 24.2 -25.2 10 22 A I >> + 0 0 90 -2,-0.5 4,-1.5 1,-0.1 3,-1.1 0.350 41.0 114.7-108.9 4.3 8.6 22.8 -21.9 11 23 A H H 3> + 0 0 100 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.738 69.1 65.1 -54.6 -28.5 6.8 25.1 -19.3 12 24 A V H 3> S+ 0 0 104 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.939 105.8 41.7 -60.3 -47.7 4.7 22.3 -17.9 13 25 A L H <> S+ 0 0 107 -3,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.858 112.8 55.9 -69.0 -34.8 7.6 20.4 -16.6 14 26 A E H X S+ 0 0 63 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.968 108.8 45.9 -58.0 -55.3 9.2 23.6 -15.3 15 27 A N H X S+ 0 0 100 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.879 113.0 50.8 -56.5 -42.8 6.2 24.6 -13.3 16 28 A F H X S+ 0 0 125 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.918 109.3 48.9 -63.7 -49.2 6.0 21.0 -11.9 17 29 A K H X S+ 0 0 73 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.911 113.7 48.5 -54.8 -44.1 9.6 20.9 -10.8 18 30 A N H X S+ 0 0 38 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.908 113.1 47.1 -61.9 -42.7 9.2 24.3 -9.1 19 31 A Y H X S+ 0 0 150 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.936 111.2 50.3 -67.7 -46.6 6.0 23.2 -7.4 20 32 A A H X S+ 0 0 39 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.887 114.9 42.8 -59.5 -42.2 7.4 20.0 -6.2 21 33 A L H X S+ 0 0 17 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.874 111.3 53.9 -75.3 -38.6 10.6 21.6 -4.7 22 34 A M H X S+ 0 0 28 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.889 108.9 51.5 -58.1 -38.0 8.7 24.5 -3.2 23 35 A L H X S+ 0 0 88 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.930 110.8 46.5 -64.4 -48.3 6.5 21.9 -1.5 24 36 A R H X S+ 0 0 128 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.923 110.9 53.9 -58.4 -45.3 9.6 20.1 -0.1 25 37 A F H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.935 112.2 43.3 -52.5 -51.9 11.0 23.4 1.0 26 38 A Q H X S+ 0 0 38 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.861 112.9 51.1 -69.5 -38.4 7.8 24.3 3.0 27 39 A K H X S+ 0 0 56 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.885 111.0 48.4 -67.6 -39.6 7.4 20.9 4.5 28 40 A L H X S+ 0 0 44 -4,-2.7 4,-1.7 2,-0.2 3,-0.3 0.958 111.9 50.0 -61.3 -50.7 11.0 20.9 5.7 29 41 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.908 111.5 48.0 -52.5 -47.2 10.5 24.3 7.2 30 42 A M H X S+ 0 0 9 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.775 104.8 59.8 -67.7 -27.8 7.3 23.2 9.0 31 43 A T H X S+ 0 0 65 -4,-1.7 4,-1.5 -3,-0.3 -1,-0.2 0.900 109.0 44.5 -61.9 -41.0 9.0 20.1 10.3 32 44 A I H X S+ 0 0 29 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.875 114.0 49.2 -71.2 -41.0 11.5 22.4 12.1 33 45 A I H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.922 110.7 50.2 -61.9 -43.3 8.8 24.8 13.3 34 46 A A H < S+ 0 0 2 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.836 113.0 47.2 -65.9 -33.9 6.8 21.8 14.6 35 47 A Q H < S+ 0 0 109 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.807 119.0 38.3 -74.3 -36.3 9.8 20.5 16.5 36 48 A Q H < S+ 0 0 106 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.551 83.9 131.8 -94.2 -10.0 10.8 23.9 18.0 37 49 A S < - 0 0 8 -4,-1.5 6,-0.1 -5,-0.2 -3,-0.0 -0.171 46.8-156.0 -54.7 133.9 7.3 25.1 18.7 38 50 A N + 0 0 149 4,-0.1 2,-0.8 5,-0.0 -1,-0.2 0.238 61.6 114.5 -90.4 5.8 6.9 26.5 22.2 39 51 A D >> - 0 0 78 1,-0.2 4,-2.3 2,-0.0 3,-1.0 -0.754 57.1-158.1 -77.3 109.8 3.2 25.8 22.1 40 52 A Y H 3> S+ 0 0 143 -2,-0.8 4,-3.1 1,-0.3 5,-0.3 0.872 88.4 62.8 -61.9 -34.6 3.0 23.1 24.8 41 53 A D H 34 S+ 0 0 95 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.757 110.0 40.7 -66.6 -24.2 -0.3 21.8 23.3 42 54 A V H <> S+ 0 0 6 -3,-1.0 4,-2.5 2,-0.1 -1,-0.2 0.854 113.3 55.4 -78.2 -44.1 1.7 20.9 20.1 43 55 A Q H X S+ 0 0 76 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.912 106.3 49.5 -56.7 -46.5 4.7 19.6 22.2 44 56 A K H X S+ 0 0 73 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.868 110.8 49.6 -65.5 -34.9 2.7 17.1 24.2 45 57 A L H > S+ 0 0 15 -4,-0.5 4,-2.7 -5,-0.3 -1,-0.2 0.941 111.7 49.5 -65.9 -44.3 1.1 15.8 21.1 46 58 A K H X S+ 0 0 47 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.900 112.6 47.6 -57.1 -46.9 4.7 15.5 19.5 47 59 A A H X S+ 0 0 50 -4,-3.1 4,-1.6 2,-0.2 -1,-0.2 0.913 111.2 51.4 -60.5 -44.1 5.9 13.7 22.6 48 60 A A H X S+ 0 0 27 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.904 111.7 45.9 -65.1 -41.2 2.8 11.4 22.6 49 61 A F H >X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 3,-0.9 0.897 109.5 54.9 -67.6 -38.8 3.4 10.4 19.0 50 62 A L H 3< S+ 0 0 90 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.824 105.7 52.4 -64.8 -31.4 7.2 9.8 19.5 51 63 A H H 3< S+ 0 0 98 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.589 112.0 46.9 -80.0 -12.1 6.5 7.4 22.4 52 64 A L H << 0 0 67 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.770 360.0 360.0 -90.8 -35.3 4.2 5.5 20.0 53 65 A D < 0 0 73 -4,-2.3 3,-0.2 -5,-0.1 -1,-0.1 0.083 360.0 360.0 -75.1 360.0 6.7 5.5 17.2 54 ! 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 55 69 A K 0 0 131 0, 0.0 3,-0.1 0, 0.0 37,-0.0 0.000 360.0 360.0 360.0 -58.9 10.7 6.5 11.5 56 70 A G + 0 0 18 1,-0.3 37,-1.6 -3,-0.2 38,-0.5 0.314 360.0 110.9 98.1 -0.8 8.2 9.4 11.9 57 71 A N E +A 92 0A 81 35,-0.2 2,-0.3 -4,-0.1 -1,-0.3 -0.884 34.8 159.5-120.1 127.6 5.4 7.1 10.8 58 72 A I E -A 91 0A 3 33,-2.3 33,-3.3 -2,-0.4 2,-0.1 -0.946 44.1 -92.3-138.7 162.0 2.5 5.7 12.9 59 73 A T E > -A 90 0A 45 -2,-0.3 4,-1.9 31,-0.3 31,-0.3 -0.397 33.3-118.5 -71.5 155.4 -0.9 4.2 12.0 60 74 A K H > S+ 0 0 39 29,-3.1 4,-2.4 1,-0.2 5,-0.1 0.849 118.4 56.1 -62.7 -33.2 -3.9 6.5 11.8 61 75 A L H > S+ 0 0 140 28,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.912 106.4 49.6 -60.8 -47.0 -5.4 4.4 14.6 62 76 A Q H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.836 109.7 52.1 -59.1 -36.5 -2.3 5.1 16.7 63 77 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.938 108.8 49.6 -66.9 -44.6 -2.7 8.9 15.9 64 78 A R H X S+ 0 0 62 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.906 111.8 49.2 -57.9 -44.3 -6.3 8.8 17.0 65 79 A K H X S+ 0 0 47 -4,-2.1 4,-3.4 2,-0.2 -1,-0.2 0.882 108.3 52.1 -63.3 -43.5 -5.3 7.1 20.2 66 80 A G H X S+ 0 0 5 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.916 113.8 45.4 -59.9 -40.3 -2.5 9.6 20.9 67 81 A L H ><>S+ 0 0 4 -4,-2.2 5,-1.7 2,-0.2 3,-0.9 0.975 115.4 45.0 -65.8 -54.1 -5.0 12.4 20.5 68 82 A E H ><5S+ 0 0 92 -4,-3.1 3,-2.0 1,-0.3 -2,-0.2 0.924 111.2 53.2 -58.6 -44.8 -7.7 10.8 22.6 69 83 A R H 3<5S+ 0 0 93 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.710 100.4 61.9 -66.3 -20.0 -5.2 9.8 25.3 70 84 A S T <<5S- 0 0 36 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.502 129.9 -95.5 -78.1 -6.1 -4.0 13.5 25.5 71 85 A G T < 5S+ 0 0 68 -3,-2.0 2,-0.4 -4,-0.3 -3,-0.2 0.570 79.6 137.9 104.9 13.6 -7.6 14.3 26.5 72 86 A L < - 0 0 88 -5,-1.7 2,-0.6 -4,-0.1 -1,-0.3 -0.750 46.8-142.7 -97.8 139.0 -9.1 15.3 23.2 73 87 A M - 0 0 173 -2,-0.4 -5,-0.0 -6,-0.0 0, 0.0 -0.865 24.7-140.7 -89.9 124.6 -12.5 14.4 21.8 74 88 A L - 0 0 24 -2,-0.6 -10,-0.0 1,-0.1 0, 0.0 -0.637 18.3-111.1 -88.4 141.6 -12.2 13.8 18.0 75 89 A P > - 0 0 57 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.281 29.5-109.6 -65.7 158.6 -15.0 15.0 15.7 76 90 A P T 3 S+ 0 0 142 0, 0.0 3,-0.3 0, 0.0 -2,-0.0 0.778 119.2 45.1 -59.2 -29.8 -17.2 12.3 13.9 77 91 A N T 3> S+ 0 0 82 1,-0.2 4,-2.0 2,-0.1 3,-0.4 0.133 73.9 120.6-101.1 18.5 -15.5 13.1 10.5 78 92 A F H <> S+ 0 0 17 -3,-1.6 4,-2.8 1,-0.2 5,-0.2 0.911 72.3 56.2 -45.0 -49.6 -11.9 13.1 11.8 79 93 A D H > S+ 0 0 85 -3,-0.3 4,-1.7 1,-0.3 -1,-0.2 0.887 105.9 49.5 -57.8 -44.0 -11.0 10.3 9.5 80 94 A L H > S+ 0 0 106 -3,-0.4 4,-0.6 2,-0.2 -1,-0.3 0.902 112.0 49.0 -59.3 -42.0 -12.1 12.2 6.4 81 95 A L H >X S+ 0 0 88 -4,-2.0 3,-1.0 1,-0.2 4,-0.5 0.907 108.7 53.3 -65.5 -41.0 -10.2 15.3 7.5 82 96 A L H >X S+ 0 0 5 -4,-2.8 4,-1.6 1,-0.2 3,-1.1 0.861 99.6 62.4 -60.8 -34.6 -7.1 13.2 8.1 83 97 A D H 3< S+ 0 0 92 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.769 95.1 63.5 -62.8 -25.3 -7.3 11.8 4.6 84 98 A Q H << S+ 0 0 135 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.750 108.7 37.5 -73.1 -26.6 -6.8 15.3 3.2 85 99 A I H << 0 0 58 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.696 360.0 360.0 -98.2 -23.3 -3.3 15.7 4.7 86 100 A D < 0 0 86 -4,-1.6 5,-0.1 5,-0.0 4,-0.0 -0.530 360.0 360.0 179.1 360.0 -2.0 12.1 4.1 87 ! 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 88 104 A S 0 0 139 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 60.8 -1.9 2.4 3.6 89 105 A G + 0 0 44 1,-0.3 -29,-3.1 -30,-0.1 -28,-0.4 0.530 360.0 115.8 78.7 7.7 -3.4 3.6 6.8 90 106 A N E -A 59 0A 65 -31,-0.3 2,-0.4 -30,-0.1 -1,-0.3 -0.686 47.0-155.4-106.3 161.8 -0.2 5.2 8.1 91 107 A I E -A 58 0A 0 -33,-3.3 -33,-2.3 -2,-0.2 2,-1.0 -0.999 23.7-131.8-141.1 134.8 0.6 8.9 8.9 92 108 A D E >> -A 57 0A 61 -2,-0.4 4,-1.1 -35,-0.2 3,-0.9 -0.797 29.8-160.3 -75.4 103.0 3.7 11.1 9.0 93 109 A Y H 3> S+ 0 0 22 -37,-1.6 4,-2.6 -2,-1.0 -1,-0.2 0.746 84.8 62.9 -69.9 -22.9 2.7 12.6 12.4 94 110 A T H 3> S+ 0 0 27 -38,-0.5 4,-2.5 2,-0.2 -1,-0.3 0.870 101.1 54.5 -66.6 -35.1 5.0 15.6 12.0 95 111 A E H <> S+ 0 0 71 -3,-0.9 4,-1.7 2,-0.2 -1,-0.2 0.844 107.7 49.2 -63.1 -40.6 2.8 16.5 9.0 96 112 A F H X S+ 0 0 30 -4,-1.1 4,-1.1 2,-0.2 -2,-0.2 0.934 110.7 50.0 -59.5 -49.1 -0.2 16.3 11.3 97 113 A L H < S+ 0 0 1 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.896 110.0 50.5 -58.6 -42.2 1.7 18.5 13.8 98 114 A A H >< S+ 0 0 19 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.842 107.4 53.9 -60.4 -37.4 2.5 21.0 11.0 99 115 A A H 3< S+ 0 0 63 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.700 102.7 59.2 -71.2 -22.2 -1.2 21.0 10.0 100 116 A A T 3< S+ 0 0 56 -4,-1.1 2,-0.4 -3,-0.5 -1,-0.2 0.420 89.5 87.4 -90.0 1.3 -2.1 21.9 13.6 101 117 A I S < S- 0 0 24 -3,-1.1 2,-0.8 -4,-0.2 5,-0.1 -0.869 79.0-129.8-105.8 131.0 -0.0 25.1 13.6 102 118 A D > - 0 0 102 -2,-0.4 3,-0.9 1,-0.2 -2,-0.1 -0.706 19.3-164.1 -82.9 111.0 -1.6 28.4 12.3 103 119 A R G > S+ 0 0 45 -2,-0.8 3,-1.3 1,-0.3 -1,-0.2 0.831 82.6 61.4 -73.2 -31.9 0.9 29.7 9.8 104 120 A R G 3 S+ 0 0 161 1,-0.2 -1,-0.3 70,-0.1 69,-0.1 0.721 107.0 47.9 -63.3 -20.6 -0.4 33.2 9.6 105 121 A Q G < S+ 0 0 155 -3,-0.9 -1,-0.2 2,-0.0 -2,-0.2 0.170 77.2 139.2-111.1 17.8 0.4 33.6 13.4 106 122 A L < - 0 0 11 -3,-1.3 2,-0.2 63,-0.1 67,-0.1 -0.378 52.5-120.9 -60.1 135.3 3.9 32.3 13.5 107 123 A S > - 0 0 62 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.500 15.3-119.3 -75.8 150.6 6.2 34.3 15.7 108 124 A K H > S+ 0 0 158 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.891 114.6 52.1 -52.8 -44.7 9.4 35.9 14.3 109 125 A K H > S+ 0 0 179 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.867 110.4 46.7 -63.2 -39.8 11.5 33.8 16.7 110 126 A L H > S+ 0 0 23 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.889 112.0 50.3 -69.1 -41.6 9.9 30.5 15.6 111 127 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 3,-0.3 0.899 108.0 54.7 -62.1 -40.6 10.3 31.4 12.0 112 128 A Y H X S+ 0 0 99 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.852 98.4 61.7 -63.1 -36.0 13.9 32.2 12.6 113 129 A C H X S+ 0 0 46 -4,-1.5 4,-0.8 1,-0.2 -1,-0.2 0.926 110.9 40.6 -55.4 -43.3 14.5 28.7 14.1 114 130 A A H >X S+ 0 0 0 -4,-1.3 4,-1.1 -3,-0.3 3,-0.6 0.915 114.4 52.2 -67.0 -46.6 13.6 27.3 10.7 115 131 A F H 3X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 3,-0.5 0.886 102.4 59.0 -55.5 -46.7 15.5 30.0 8.7 116 132 A R H 3< S+ 0 0 104 -4,-2.9 -1,-0.2 1,-0.2 6,-0.2 0.807 101.1 56.6 -54.6 -36.4 18.7 29.4 10.7 117 133 A V H << S+ 0 0 71 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.862 112.7 39.2 -68.1 -40.8 18.7 25.8 9.5 118 134 A F H < S+ 0 0 0 -4,-1.1 2,-1.6 -3,-0.5 9,-0.2 0.776 107.4 66.4 -75.4 -31.4 18.6 26.8 5.8 119 135 A D >< + 0 0 1 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 -0.615 69.0 170.4 -90.7 74.5 21.0 29.7 6.4 120 136 A V T 3 S+ 0 0 80 -2,-1.6 -1,-0.2 1,-0.3 6,-0.1 0.842 72.9 45.1 -58.5 -40.8 23.9 27.4 7.2 121 137 A D T 3 S- 0 0 90 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.483 104.4-131.4 -82.4 -4.8 26.7 30.0 7.3 122 138 A N < + 0 0 74 -3,-1.2 -2,-0.1 -6,-0.2 4,-0.1 0.808 65.8 132.0 59.6 36.3 24.4 32.3 9.3 123 139 A D S S- 0 0 89 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.373 81.1-103.3 -96.9 4.0 25.0 35.3 7.1 124 140 A G S S+ 0 0 31 1,-0.2 41,-0.5 -5,-0.2 2,-0.4 0.576 91.5 92.9 89.3 11.8 21.3 36.1 6.8 125 141 A E E -B 164 0B 39 39,-0.2 2,-0.8 40,-0.1 -2,-0.3 -0.998 64.1-144.2-138.2 130.1 20.7 34.8 3.3 126 142 A I E -B 163 0B 1 37,-3.1 37,-3.2 -2,-0.4 2,-0.2 -0.887 31.4-164.1 -89.8 112.7 19.6 31.5 2.1 127 143 A T > - 0 0 37 -2,-0.8 4,-3.2 -9,-0.2 5,-0.2 -0.575 32.4-102.8 -91.2 165.1 21.6 31.1 -1.1 128 144 A T H > S+ 0 0 26 33,-0.5 4,-3.3 1,-0.2 5,-0.3 0.898 122.5 47.2 -50.6 -52.3 20.9 28.5 -3.8 129 145 A A H > S+ 0 0 55 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.817 112.6 49.2 -65.0 -36.3 23.7 26.2 -2.7 130 146 A E H > S+ 0 0 13 -3,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.963 115.5 44.6 -61.1 -53.3 22.6 26.4 0.9 131 147 A L H X S+ 0 0 1 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.916 112.1 50.6 -61.9 -45.6 19.0 25.7 -0.1 132 148 A A H X>S+ 0 0 0 -4,-3.3 4,-2.3 2,-0.2 5,-0.5 0.873 109.4 54.0 -57.1 -39.7 20.0 22.8 -2.4 133 149 A H H X5S+ 0 0 71 -4,-1.4 4,-3.3 -5,-0.3 3,-0.3 0.991 111.1 43.9 -57.7 -57.7 22.1 21.4 0.4 134 150 A V H <5S+ 0 0 32 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.879 118.8 43.2 -58.8 -37.2 19.1 21.4 2.7 135 151 A L H <5S+ 0 0 2 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.772 130.8 19.9 -82.2 -29.1 16.7 20.0 0.1 136 152 A F H <5 0 0 66 -4,-2.3 -3,-0.2 -3,-0.3 -2,-0.2 0.593 360.0 360.0-114.8 -22.9 18.9 17.3 -1.4 137 153 A N << 0 0 141 -4,-3.3 -3,-0.1 -5,-0.5 -4,-0.0 0.373 360.0 360.0 -67.9 360.0 21.7 16.6 1.3 138 ! 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 0.0 139 159 A N 0 0 195 0, 0.0 -2,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 72.6 26.1 13.9 -3.2 140 160 A I - 0 0 58 1,-0.1 2,-0.1 2,-0.0 -7,-0.0 -0.289 360.0-145.3 -72.8 145.0 24.3 16.9 -4.9 141 161 A T > - 0 0 73 1,-0.1 4,-1.3 -2,-0.0 -1,-0.1 -0.382 27.6-103.5 -99.4 174.9 24.8 17.5 -8.7 142 162 A E H > S+ 0 0 185 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.879 122.4 55.3 -60.0 -45.0 25.0 20.7 -10.9 143 163 A R H > S+ 0 0 178 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.944 102.7 55.6 -59.3 -49.4 21.5 20.0 -12.0 144 164 A D H > S+ 0 0 30 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.900 106.2 50.6 -46.6 -49.6 20.2 19.9 -8.4 145 165 A V H X S+ 0 0 42 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.905 110.5 49.5 -62.6 -41.6 21.6 23.4 -7.7 146 166 A N H X S+ 0 0 93 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.816 104.7 56.2 -67.8 -36.2 20.0 24.9 -10.8 147 167 A Q H X S+ 0 0 51 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.911 109.6 48.6 -61.0 -39.5 16.5 23.4 -10.1 148 168 A V H X S+ 0 0 0 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.945 106.3 56.1 -65.4 -43.9 16.7 25.2 -6.7 149 169 A K H < S+ 0 0 102 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.878 110.4 44.9 -57.4 -39.2 17.7 28.4 -8.4 150 170 A K H >< S+ 0 0 80 -4,-1.9 3,-1.0 1,-0.2 4,-0.3 0.888 109.0 57.1 -70.3 -40.1 14.6 28.3 -10.6 151 171 A M H >< S+ 0 0 4 -4,-2.1 3,-0.7 1,-0.2 4,-0.3 0.830 99.4 57.6 -62.2 -34.4 12.3 27.4 -7.7 152 172 A I G >X S+ 0 0 2 -4,-1.8 4,-2.4 1,-0.2 3,-1.2 0.696 79.3 92.0 -76.0 -11.6 13.1 30.4 -5.5 153 173 A R G <4 S+ 0 0 90 -3,-1.0 -1,-0.2 -4,-0.4 6,-0.1 0.830 84.2 52.3 -48.8 -41.1 12.1 32.9 -8.2 154 174 A E G <4 S+ 0 0 85 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.1 0.804 118.9 33.0 -68.1 -33.9 8.6 33.1 -6.8 155 175 A V T <4 S+ 0 0 20 -3,-1.2 2,-1.9 -4,-0.3 -2,-0.2 0.582 94.0 93.8-102.2 -10.2 9.6 33.9 -3.2 156 176 A D >< + 0 0 7 -4,-2.4 3,-1.2 1,-0.2 5,-0.2 -0.543 53.3 175.3 -80.8 80.2 12.7 35.9 -4.1 157 177 A K T 3 S+ 0 0 123 -2,-1.9 -1,-0.2 1,-0.2 6,-0.1 0.826 71.5 46.5 -60.5 -40.2 11.0 39.3 -4.0 158 178 A N T 3 S- 0 0 90 4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.437 102.6-125.7 -88.5 2.7 14.0 41.5 -4.5 159 179 A G S < S+ 0 0 59 -3,-1.2 -2,-0.1 -6,-0.1 -3,-0.0 0.677 70.8 126.3 74.0 19.0 15.5 39.5 -7.4 160 180 A D S S- 0 0 65 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.387 79.1-113.6 -94.6 3.6 18.9 39.0 -5.9 161 181 A G S S+ 0 0 20 1,-0.2 -33,-0.5 -5,-0.2 2,-0.3 0.515 87.2 90.9 78.6 4.1 18.9 35.2 -6.2 162 182 A K S S- 0 0 80 -35,-0.1 2,-0.7 -34,-0.1 -2,-0.3 -0.926 72.9-126.0-130.1 157.9 18.9 34.7 -2.4 163 183 A I E -B 126 0B 1 -37,-3.2 -37,-3.1 -2,-0.3 -7,-0.1 -0.899 26.9-167.5-106.0 109.2 16.2 34.3 0.2 164 184 A D E > -B 125 0B 33 -2,-0.7 4,-2.2 -39,-0.2 5,-0.2 -0.281 39.7 -95.6 -84.5 176.9 16.5 36.8 3.1 165 185 A F H > S+ 0 0 48 -41,-0.5 4,-3.1 1,-0.2 5,-0.2 0.922 123.5 54.4 -63.2 -44.7 14.5 36.5 6.3 166 186 A Y H > S+ 0 0 135 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.923 111.6 45.1 -53.2 -45.9 11.7 38.8 5.2 167 187 A E H > S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.895 114.3 48.1 -67.2 -39.0 11.2 36.7 2.1 168 188 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.926 112.7 49.6 -67.1 -41.6 11.3 33.4 4.0 169 189 A S H X S+ 0 0 17 -4,-3.1 4,-3.3 2,-0.2 6,-0.2 0.931 109.2 50.9 -62.0 -51.0 8.9 34.8 6.6 170 190 A E H <>S+ 0 0 55 -4,-2.5 5,-3.1 1,-0.2 -1,-0.2 0.878 111.6 49.1 -53.0 -43.6 6.4 36.0 3.9 171 191 A M H ><5S+ 0 0 15 -4,-1.9 3,-0.8 3,-0.2 -1,-0.2 0.891 114.0 44.3 -65.2 -45.2 6.6 32.5 2.4 172 192 A M H 3<5S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.944 111.8 50.0 -68.9 -45.5 6.0 30.7 5.7 173 193 A K T 3<5S- 0 0 71 -4,-3.3 -1,-0.2 -5,-0.1 -2,-0.2 0.420 111.4-123.3 -74.0 8.9 3.1 33.0 7.0 174 194 A L T < 5 0 0 101 -3,-0.8 -3,-0.2 1,-0.3 -4,-0.1 0.848 360.0 360.0 47.3 45.3 1.6 32.4 3.5 175 195 A T < 0 0 69 -5,-3.1 -1,-0.3 -6,-0.2 -2,-0.1 -0.632 360.0 360.0 156.3 360.0 1.6 36.2 3.1