==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM-BINDING PROTEIN 23-JAN-93 1CLM . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PARAMECIUM TETRAURELIA; . AUTHOR M.SUNDARALINGAM . 144 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9942.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 74.3 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 3.5 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 . 8 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 54.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 1 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 . 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 4 A L 0 0 188 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -66.6 -20.3 32.6 27.4 2 5 A T >> - 0 0 65 1,-0.1 4,-2.2 4,-0.0 3,-0.6 -0.514 360.0-116.1 -84.4 162.3 -20.5 31.5 31.1 3 6 A E H 3> S+ 0 0 176 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.863 115.4 54.0 -48.8 -44.2 -20.8 34.2 33.9 4 7 A E H 3> S+ 0 0 127 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.873 108.0 49.0 -62.0 -36.2 -17.3 33.2 35.3 5 8 A Q H <> S+ 0 0 78 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.948 111.4 49.6 -71.1 -41.6 -15.6 33.7 31.9 6 9 A I H >X S+ 0 0 67 -4,-2.2 4,-2.6 1,-0.2 3,-0.5 0.968 108.4 54.3 -61.0 -53.2 -17.3 37.1 31.5 7 10 A A H 3X S+ 0 0 53 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.862 108.7 48.9 -42.0 -45.6 -16.2 38.0 35.1 8 11 A E H 3X S+ 0 0 116 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.893 110.8 48.4 -72.2 -34.2 -12.6 37.2 34.1 9 12 A F H X S+ 0 0 32 -4,-1.3 3,-1.0 2,-0.2 4,-0.7 0.912 111.5 52.0 -71.5 -42.9 -8.7 42.2 32.3 13 16 A F H >X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.3 3,-1.2 0.915 104.1 61.6 -57.2 -42.2 -10.7 45.1 30.7 14 17 A A H 3< S+ 0 0 55 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.761 95.4 56.2 -59.9 -26.3 -10.5 46.9 34.0 15 18 A L H << S+ 0 0 124 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.745 113.2 42.5 -77.7 -18.8 -6.7 47.1 34.1 16 19 A F H << S+ 0 0 54 -3,-1.2 2,-1.9 -4,-0.7 -2,-0.2 0.824 101.3 71.4 -87.8 -41.2 -6.7 48.9 30.7 17 20 A D >< + 0 0 14 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 -0.448 65.2 176.5 -75.6 81.7 -9.6 51.2 31.5 18 21 A K T 3 S+ 0 0 118 -2,-1.9 -1,-0.2 1,-0.3 6,-0.1 0.822 73.1 39.7 -61.7 -40.0 -7.8 53.4 34.0 19 22 A D T 3 S- 0 0 111 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.285 104.2-120.1 -94.7 6.0 -10.5 55.9 34.8 20 23 A G S < S+ 0 0 62 -3,-1.9 -2,-0.1 -6,-0.2 -3,-0.1 0.566 70.6 128.3 79.1 5.3 -13.5 53.5 34.9 21 24 A D S S- 0 0 87 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.390 80.0-105.3 -76.3 -1.0 -15.6 55.0 32.0 22 25 A G S S+ 0 0 33 1,-0.2 40,-0.5 -5,-0.2 2,-0.3 0.613 90.5 86.1 88.4 7.9 -16.2 51.8 30.0 23 26 A T E -A 61 0A 31 38,-0.2 2,-0.5 39,-0.1 -2,-0.3 -0.986 63.5-142.0-142.3 151.8 -13.7 52.7 27.2 24 27 A I E -A 60 0A 5 36,-2.0 36,-2.0 -2,-0.3 2,-0.2 -0.962 23.9-168.3-113.2 132.8 -10.0 52.2 26.5 25 28 A T > - 0 0 47 -2,-0.5 4,-2.5 -9,-0.2 3,-0.2 -0.541 40.0 -97.1-115.3 170.9 -8.4 55.1 24.7 26 29 A T H > S+ 0 0 22 32,-0.3 4,-2.3 1,-0.2 5,-0.1 0.855 124.4 53.7 -61.9 -36.0 -4.9 55.3 23.1 27 30 A K H > S+ 0 0 86 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.866 108.8 46.3 -64.2 -37.9 -3.6 57.0 26.2 28 31 A E H > S+ 0 0 15 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.952 113.4 49.7 -69.5 -47.3 -4.8 54.3 28.6 29 32 A L H X S+ 0 0 21 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.910 111.7 51.0 -52.1 -46.1 -3.4 51.6 26.2 30 33 A G H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.887 104.8 53.9 -55.1 -48.9 -0.2 53.6 26.3 31 34 A T H X S+ 0 0 65 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.923 111.6 48.2 -58.1 -39.3 -0.1 53.8 30.1 32 35 A V H X S+ 0 0 19 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.952 111.0 47.8 -66.4 -51.1 -0.3 50.0 30.1 33 36 A M H ><>S+ 0 0 34 -4,-2.5 5,-1.9 1,-0.2 3,-0.8 0.935 110.8 53.3 -57.4 -41.1 2.4 49.4 27.5 34 37 A R H ><5S+ 0 0 90 -4,-2.7 3,-1.7 1,-0.3 -1,-0.2 0.884 104.0 55.4 -63.7 -35.0 4.7 51.8 29.4 35 38 A S H 3<5S+ 0 0 93 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.823 105.2 53.2 -71.9 -21.3 4.2 49.8 32.6 36 39 A L T <<5S- 0 0 115 -4,-1.4 -1,-0.3 -3,-0.8 -2,-0.2 0.099 125.8-101.0 -91.4 17.6 5.4 46.7 30.7 37 40 A G T < 5S+ 0 0 68 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.722 89.2 112.0 74.3 23.3 8.6 48.5 29.6 38 41 A Q < - 0 0 112 -5,-1.9 -2,-0.2 -6,-0.2 -1,-0.2 -0.990 48.4-162.3-120.7 134.0 7.6 49.3 26.0 39 42 A N - 0 0 122 -2,-0.4 -9,-0.1 -3,-0.1 -8,-0.1 -0.722 13.9-170.0-117.4 87.5 7.0 53.0 25.0 40 43 A P - 0 0 22 0, 0.0 2,-0.2 0, 0.0 -6,-0.1 -0.279 21.2-120.5 -70.8 156.1 5.0 53.1 21.8 41 44 A T > - 0 0 79 1,-0.1 4,-1.8 0, 0.0 3,-0.5 -0.602 34.1-101.3 -85.3 156.9 4.5 56.4 19.8 42 45 A E H > S+ 0 0 99 1,-0.2 4,-2.0 -2,-0.2 5,-0.1 0.821 119.5 65.1 -48.3 -30.5 0.8 57.7 19.3 43 46 A A H > S+ 0 0 64 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.965 105.3 37.1 -62.7 -51.8 1.1 56.3 15.7 44 47 A E H > S+ 0 0 79 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.821 112.7 60.1 -78.2 -18.7 1.4 52.5 16.6 45 48 A L H X S+ 0 0 1 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.916 105.6 50.3 -58.1 -41.8 -1.1 53.1 19.5 46 49 A Q H X S+ 0 0 62 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.894 108.2 50.4 -66.5 -38.8 -3.5 54.2 16.7 47 50 A D H X S+ 0 0 102 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.932 108.8 52.6 -66.7 -39.3 -2.8 51.1 14.7 48 51 A M H X S+ 0 0 57 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.940 112.3 44.6 -60.8 -45.6 -3.5 48.9 17.7 49 52 A I H >X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 3,-1.5 0.935 107.8 58.5 -65.4 -42.1 -6.8 50.6 18.4 50 53 A N H 3< S+ 0 0 97 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.844 100.8 56.9 -57.0 -37.2 -7.9 50.5 14.7 51 54 A E H 3< S+ 0 0 146 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.736 119.5 29.4 -56.5 -33.2 -7.5 46.7 14.6 52 55 A V H << S+ 0 0 20 -3,-1.5 2,-1.9 -4,-0.7 -2,-0.2 0.617 94.5 97.2-109.2 -23.5 -10.0 46.3 17.5 53 56 A D >< + 0 0 16 -4,-2.8 3,-1.1 1,-0.2 5,-0.1 -0.415 43.6 171.2 -75.5 86.7 -12.3 49.3 17.0 54 57 A A T 3 S+ 0 0 91 -2,-1.9 -1,-0.2 1,-0.3 6,-0.1 0.776 73.1 44.3 -68.9 -36.9 -15.2 48.0 15.1 55 58 A D T 3 S- 0 0 92 4,-0.3 -1,-0.3 1,-0.0 -2,-0.1 0.389 102.6-124.6 -84.3 -0.5 -17.7 51.0 15.2 56 59 A G S < S+ 0 0 58 -3,-1.1 -2,-0.1 1,-0.1 -3,-0.1 0.454 70.5 129.6 75.9 -1.6 -15.0 53.6 14.4 57 60 A N S S- 0 0 92 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.507 79.3-111.6 -64.8 2.5 -15.6 55.8 17.4 58 61 A G S S+ 0 0 32 1,-0.3 2,-0.3 -5,-0.1 -32,-0.3 0.430 86.2 80.1 85.6 -4.2 -11.8 55.8 18.2 59 62 A T S S- 0 0 25 -34,-0.1 2,-0.6 -10,-0.1 -4,-0.3 -0.940 72.2-121.8-134.5 165.9 -12.1 53.7 21.4 60 63 A I E -A 24 0A 8 -36,-2.0 -36,-2.0 -2,-0.3 2,-0.2 -0.862 25.7-173.7-108.0 123.4 -12.5 50.3 22.6 61 64 A D E > -A 23 0A 46 -2,-0.6 4,-2.1 -38,-0.2 3,-0.3 -0.572 44.2 -86.9-105.8-178.6 -15.4 49.2 24.7 62 65 A F H > S+ 0 0 33 -40,-0.5 4,-2.6 1,-0.2 5,-0.2 0.885 123.1 50.7 -62.4 -49.7 -16.1 45.9 26.5 63 66 A P H > S+ 0 0 82 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.900 113.4 48.5 -51.3 -37.6 -17.9 44.0 23.5 64 67 A E H > S+ 0 0 18 -3,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.881 112.4 46.4 -77.2 -33.6 -15.0 45.0 21.3 65 68 A F H X S+ 0 0 8 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.880 109.8 55.7 -69.5 -34.4 -12.5 43.8 23.9 66 69 A L H X S+ 0 0 49 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.919 108.6 46.7 -68.6 -46.0 -14.5 40.6 24.3 67 70 A S H X S+ 0 0 73 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.904 113.4 48.8 -56.6 -47.4 -14.3 39.8 20.6 68 71 A L H X S+ 0 0 45 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.976 113.4 47.1 -54.0 -56.8 -10.6 40.5 20.4 69 72 A M H X S+ 0 0 52 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.847 112.8 48.1 -57.5 -45.1 -9.9 38.3 23.5 70 73 A A H X S+ 0 0 48 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.940 114.1 45.5 -61.3 -49.9 -11.9 35.4 22.3 71 74 A R H X S+ 0 0 164 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.920 112.7 52.4 -61.6 -38.3 -10.3 35.5 18.8 72 75 A K H X S+ 0 0 115 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.892 106.3 53.2 -68.4 -37.0 -6.9 35.9 20.4 73 76 A M H X S+ 0 0 78 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.941 106.8 50.6 -69.8 -38.4 -7.4 32.9 22.6 74 77 A K H X S+ 0 0 161 -4,-2.1 4,-2.0 1,-0.2 3,-0.4 0.949 112.8 48.8 -57.5 -45.3 -8.4 30.6 19.7 75 78 A E H X S+ 0 0 91 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.914 107.0 54.0 -59.0 -42.8 -5.2 31.7 17.9 76 79 A Q H X S+ 0 0 108 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.831 107.6 52.1 -65.8 -28.6 -3.0 31.1 20.9 77 80 A D H X S+ 0 0 64 -4,-1.7 4,-2.7 -3,-0.4 5,-0.2 0.984 105.0 53.6 -66.5 -54.6 -4.3 27.5 21.1 78 81 A S H X S+ 0 0 57 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.880 112.5 46.9 -46.3 -42.3 -3.5 26.9 17.4 79 82 A E H X S+ 0 0 100 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.951 108.1 53.1 -62.9 -47.2 0.0 28.0 18.2 80 83 A E H X S+ 0 0 83 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.924 110.9 50.1 -57.5 -41.8 0.3 25.9 21.5 81 84 A E H X S+ 0 0 121 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.882 110.9 45.9 -61.1 -44.1 -0.6 22.9 19.4 82 85 A L H X S+ 0 0 52 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.842 112.1 51.8 -72.5 -33.7 1.9 23.5 16.6 83 86 A I H X S+ 0 0 66 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.929 110.4 48.9 -67.8 -45.9 4.7 24.2 19.1 84 87 A E H X S+ 0 0 127 -4,-2.4 4,-1.5 -5,-0.2 3,-0.5 0.970 111.4 49.4 -55.4 -53.4 4.0 20.9 21.0 85 88 A A H X S+ 0 0 39 -4,-2.3 4,-1.3 1,-0.3 3,-0.4 0.892 110.7 49.5 -55.6 -41.7 3.9 18.9 17.7 86 89 A F H X S+ 0 0 17 -4,-1.9 4,-2.0 1,-0.2 -1,-0.3 0.847 108.2 56.0 -63.4 -34.2 7.3 20.5 16.6 87 90 A K H < S+ 0 0 138 -4,-1.7 6,-0.2 -3,-0.5 -1,-0.2 0.788 102.1 53.4 -77.8 -26.3 8.8 19.6 19.9 88 91 A V H < S+ 0 0 96 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.800 112.1 46.7 -71.3 -34.0 7.9 15.9 19.7 89 92 A F H < S+ 0 0 38 -4,-1.3 2,-2.3 1,-0.2 9,-0.2 0.832 98.7 70.4 -70.9 -38.4 9.8 15.8 16.3 90 93 A D >< + 0 0 10 -4,-2.0 3,-2.7 1,-0.2 -1,-0.2 -0.435 66.3 176.6 -87.2 77.7 12.9 17.7 17.5 91 94 A R T 3 S+ 0 0 151 -2,-2.3 -1,-0.2 1,-0.3 6,-0.1 0.780 75.3 44.5 -50.5 -38.8 14.0 14.8 19.6 92 95 A D T 3 S- 0 0 103 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.208 103.5-125.1 -92.4 10.1 17.3 16.6 20.7 93 96 A G < + 0 0 64 -3,-2.7 -2,-0.1 -6,-0.2 4,-0.1 0.738 69.8 129.4 54.5 25.2 15.7 20.0 21.4 94 97 A N S S- 0 0 87 2,-0.3 -1,-0.1 -4,-0.0 3,-0.1 0.348 79.5-109.2 -86.8 8.6 18.1 21.9 19.0 95 98 A G S S+ 0 0 35 -5,-0.2 40,-0.4 1,-0.1 2,-0.4 0.421 90.8 93.0 79.6 -4.8 15.4 23.8 17.0 96 99 A L - 0 0 46 38,-0.1 2,-0.6 39,-0.1 -2,-0.3 -0.990 65.3-145.2-128.4 127.3 15.9 21.7 13.9 97 100 A I B -B 133 0B 4 36,-2.3 36,-2.1 -2,-0.4 2,-0.2 -0.812 27.1-163.4 -78.1 118.1 14.1 18.6 12.7 98 101 A S > - 0 0 27 -2,-0.6 4,-2.3 -9,-0.2 5,-0.2 -0.557 34.7-101.1-101.1 174.1 16.7 16.4 10.8 99 102 A A H > S+ 0 0 30 32,-0.3 4,-2.1 1,-0.2 5,-0.2 0.910 122.9 52.6 -61.5 -42.6 16.0 13.4 8.4 100 103 A A H > S+ 0 0 61 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.926 109.7 48.3 -58.4 -42.5 16.8 10.9 11.3 101 104 A E H > S+ 0 0 14 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.938 113.1 45.8 -64.9 -42.8 14.4 12.5 13.7 102 105 A L H X S+ 0 0 22 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.911 113.4 49.8 -66.3 -37.4 11.5 12.6 11.2 103 106 A R H X S+ 0 0 105 -4,-2.1 4,-2.4 -5,-0.2 10,-0.2 0.930 110.6 50.9 -70.6 -43.0 12.2 9.0 10.2 104 107 A H H X S+ 0 0 78 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.934 112.9 44.8 -61.2 -49.0 12.2 7.9 13.8 105 108 A V H X S+ 0 0 15 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.906 110.9 54.1 -67.9 -29.8 9.0 9.6 14.6 106 109 A M H <>S+ 0 0 42 -4,-2.8 5,-2.7 2,-0.2 4,-0.3 0.929 105.6 52.7 -68.2 -37.7 7.3 8.3 11.4 107 110 A T H ><5S+ 0 0 53 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.943 108.1 51.9 -64.2 -41.9 8.2 4.7 12.2 108 111 A N H 3<5S+ 0 0 124 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.832 106.7 53.0 -62.5 -32.0 6.5 5.2 15.6 109 112 A L T 3<5S- 0 0 119 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.445 129.9 -98.1 -76.1 -3.6 3.4 6.6 13.9 110 113 A G T < 5S+ 0 0 57 -3,-1.9 2,-0.6 -4,-0.3 -3,-0.2 0.564 88.1 118.0 105.4 10.0 3.4 3.3 11.8 111 114 A E < - 0 0 107 -5,-2.7 2,-0.9 -6,-0.2 -1,-0.2 -0.912 47.1-159.3-124.6 107.5 5.0 4.5 8.6 112 115 A K - 0 0 191 -2,-0.6 2,-0.4 -5,-0.1 -8,-0.1 -0.771 21.3-175.5 -90.6 104.3 8.4 2.9 7.6 113 116 A L - 0 0 29 -2,-0.9 -6,-0.1 -10,-0.2 2,-0.1 -0.823 20.7-130.5-108.2 140.9 10.0 5.3 5.3 114 117 A T > - 0 0 82 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.266 32.3-106.9 -75.2 169.0 13.3 5.0 3.3 115 118 A D H > S+ 0 0 94 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.909 121.6 54.8 -64.2 -35.3 15.9 7.7 3.4 116 119 A D H > S+ 0 0 122 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.908 109.5 46.2 -66.7 -37.0 15.0 8.7 -0.1 117 120 A E H > S+ 0 0 88 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.907 114.4 47.2 -75.4 -37.3 11.3 9.2 0.9 118 121 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.875 110.3 52.9 -69.7 -39.0 12.2 11.2 4.0 119 122 A D H X S+ 0 0 74 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.863 105.4 54.7 -63.0 -39.0 14.7 13.3 2.1 120 123 A E H X S+ 0 0 89 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.915 109.4 48.7 -58.1 -45.6 11.8 14.1 -0.4 121 124 A M H X S+ 0 0 72 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.907 112.3 45.8 -67.3 -36.2 9.7 15.3 2.4 122 125 A I H >X S+ 0 0 6 -4,-2.3 4,-1.4 2,-0.2 3,-1.3 0.960 110.0 55.3 -65.3 -50.7 12.4 17.5 3.9 123 126 A R H 3< S+ 0 0 162 -4,-2.7 3,-0.3 1,-0.3 -2,-0.2 0.844 105.4 54.4 -53.0 -40.3 13.3 18.9 0.4 124 127 A E H 3< S+ 0 0 133 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.761 116.5 34.5 -60.6 -31.7 9.6 19.9 0.0 125 128 A A H << S+ 0 0 7 -3,-1.3 2,-0.5 -4,-0.8 -1,-0.2 0.503 91.6 105.1-103.6 -11.7 9.5 21.9 3.2 126 129 A D < + 0 0 34 -4,-1.4 7,-0.1 -3,-0.3 -4,-0.0 -0.642 32.2 163.1 -84.0 121.9 13.0 23.3 3.3 127 130 A I S S+ 0 0 101 -2,-0.5 -1,-0.2 1,-0.0 6,-0.1 0.774 75.5 46.7 -99.9 -48.5 13.2 27.0 2.4 128 131 A D S S- 0 0 93 4,-0.2 -2,-0.1 1,-0.1 -1,-0.0 0.340 103.5-126.0 -72.5 2.0 16.7 28.1 3.7 129 132 A G S S+ 0 0 60 1,-0.1 -1,-0.1 -6,-0.1 -3,-0.1 0.569 72.5 123.6 60.5 19.5 18.4 25.0 2.1 130 133 A D S S- 0 0 65 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.172 79.7-116.8 -80.8 11.9 20.1 23.5 5.2 131 134 A G S S+ 0 0 36 1,-0.2 -32,-0.3 -8,-0.1 2,-0.3 0.656 85.1 98.9 58.3 7.7 18.3 20.1 4.8 132 135 A H S S- 0 0 63 -34,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.864 73.7-123.8-112.2 166.3 16.6 20.5 8.2 133 136 A I B -B 97 0B 12 -36,-2.1 -36,-2.3 -2,-0.3 2,-0.1 -0.907 27.5-169.5-107.5 112.6 13.1 21.7 9.1 134 137 A N > - 0 0 37 -2,-0.6 4,-2.3 -38,-0.2 5,-0.1 -0.475 41.5 -91.1 -92.5-175.0 13.0 24.8 11.5 135 138 A Y H > S+ 0 0 64 -40,-0.4 4,-2.6 1,-0.2 5,-0.2 0.883 124.6 50.2 -66.2 -40.4 9.8 26.0 13.2 136 139 A E H > S+ 0 0 107 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.958 111.5 48.0 -58.2 -52.3 8.9 28.5 10.5 137 140 A E H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.905 111.6 53.9 -58.7 -37.3 9.3 25.9 7.7 138 141 A F H X S+ 0 0 13 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.902 110.1 42.9 -64.7 -45.1 7.2 23.5 9.9 139 142 A V H X S+ 0 0 41 -4,-2.6 4,-0.5 2,-0.2 5,-0.2 0.912 111.0 56.5 -70.2 -34.2 4.2 25.8 10.4 140 143 A R H >X S+ 0 0 118 -4,-2.4 4,-3.1 1,-0.2 3,-1.0 0.938 111.2 43.9 -62.7 -46.6 4.3 26.8 6.7 141 144 A M H 3< S+ 0 0 69 -4,-2.3 -1,-0.2 3,-0.3 -2,-0.2 0.768 100.5 68.4 -60.5 -33.3 4.0 23.1 5.8 142 145 A M H 3< S+ 0 0 104 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.628 121.0 21.1 -68.7 -7.0 1.3 22.5 8.4 143 146 A V H << 0 0 128 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.638 360.0 360.0-108.1 -42.5 -0.8 24.7 6.1 144 147 A S < 0 0 104 -4,-3.1 -3,-0.3 -5,-0.2 -4,-0.1 0.517 360.0 360.0-155.1 360.0 1.0 24.5 2.7