==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CONTRACTILE SYSTEM PROTEINS 27-MAY-88 5TNC . COMPND 2 MOLECULE: TROPONIN-C; . SOURCE 2 ORGANISM_SCIENTIFIC: MELEAGRIS GALLOPAVO; . AUTHOR O.HERZBERG,M.N.G.JAMES . 161 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10001.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 70.2 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 4.3 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 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 52.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 0 2 0 4 0 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 . 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 2 A S > 0 0 112 0, 0.0 4,-1.3 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 27.3 11.1 54.0 4.8 2 3 A M H > + 0 0 45 2,-0.2 4,-3.4 1,-0.2 5,-0.1 0.781 360.0 57.0 -78.8 -33.1 13.3 52.9 1.9 3 4 A T H > S+ 0 0 106 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.813 106.2 51.7 -67.3 -24.8 16.2 54.7 3.4 4 5 A D H > S+ 0 0 79 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.916 111.0 46.3 -74.0 -46.1 15.5 52.4 6.4 5 6 A Q H X S+ 0 0 65 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.865 112.0 52.2 -61.0 -41.5 15.6 49.4 4.0 6 7 A Q H X S+ 0 0 37 -4,-3.4 4,-2.1 2,-0.2 -2,-0.2 0.918 109.5 47.7 -62.8 -48.9 18.7 50.8 2.5 7 8 A A H X S+ 0 0 62 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.828 114.2 47.4 -64.9 -34.1 20.5 51.1 5.9 8 9 A E H X S+ 0 0 129 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.782 107.2 57.0 -78.9 -24.8 19.4 47.6 6.8 9 10 A A H >X S+ 0 0 5 -4,-1.8 3,-0.8 1,-0.2 4,-0.6 0.951 109.2 45.8 -70.1 -43.3 20.6 46.3 3.5 10 11 A R H >< S+ 0 0 79 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.827 108.0 56.5 -64.9 -38.0 24.1 47.7 4.2 11 12 A A H 3< S+ 0 0 87 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.676 101.0 59.1 -67.7 -21.8 24.2 46.3 7.8 12 13 A F H << S+ 0 0 108 -3,-0.8 -1,-0.2 -4,-0.8 2,-0.2 0.709 105.7 58.8 -78.6 -24.3 23.6 42.8 6.5 13 14 A L S << S- 0 0 22 -4,-0.6 2,-0.3 -3,-0.6 3,-0.0 -0.645 84.4-117.2-105.5 160.0 26.7 43.0 4.4 14 15 A S > - 0 0 51 -2,-0.2 4,-2.4 1,-0.1 3,-0.5 -0.784 31.2-116.3 -95.1 149.6 30.3 43.5 5.1 15 16 A E H > S+ 0 0 115 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.820 113.9 54.4 -51.7 -43.6 32.0 46.6 3.6 16 17 A E H > S+ 0 0 150 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.887 109.9 47.1 -59.3 -40.8 34.4 44.5 1.3 17 18 A M H > S+ 0 0 62 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.903 110.8 51.8 -67.7 -42.7 31.4 42.6 -0.2 18 19 A I H X S+ 0 0 5 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.887 110.6 48.2 -59.8 -41.0 29.5 45.9 -0.7 19 20 A A H X S+ 0 0 48 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.796 109.6 52.5 -68.2 -32.4 32.5 47.4 -2.5 20 21 A E H X S+ 0 0 105 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.878 109.4 50.2 -67.4 -44.4 32.8 44.2 -4.7 21 22 A F H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.879 112.0 47.4 -60.9 -45.0 29.1 44.6 -5.6 22 23 A K H X S+ 0 0 68 -4,-2.0 4,-3.5 1,-0.2 -1,-0.2 0.825 104.9 59.0 -63.0 -44.3 29.7 48.2 -6.6 23 24 A A H < S+ 0 0 63 -4,-1.7 4,-0.4 2,-0.2 -1,-0.2 0.863 112.8 40.1 -52.0 -44.9 32.9 47.3 -8.6 24 25 A A H >< S+ 0 0 15 -4,-1.6 3,-1.5 2,-0.2 4,-0.3 0.960 116.5 51.2 -67.6 -55.4 30.6 45.0 -10.8 25 26 A F H >< S+ 0 0 0 -4,-2.5 3,-2.7 1,-0.3 4,-0.3 0.902 102.9 57.9 -42.6 -58.0 27.7 47.6 -10.7 26 27 A D G >< S+ 0 0 68 -4,-3.5 3,-0.8 1,-0.3 -1,-0.3 0.688 89.5 75.3 -58.9 -18.6 30.0 50.5 -11.9 27 28 A M G < S+ 0 0 159 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.742 102.8 38.9 -65.7 -25.2 30.9 48.5 -15.0 28 29 A F G < S+ 0 0 66 -3,-2.7 2,-0.8 -4,-0.3 9,-0.3 0.322 97.6 88.6-107.4 6.5 27.4 49.5 -16.3 29 30 A D < + 0 0 15 -3,-0.8 7,-0.1 -4,-0.3 -1,-0.1 -0.897 47.1 166.5-113.0 99.9 27.4 53.0 -15.0 30 31 A A S S+ 0 0 97 -2,-0.8 -1,-0.2 1,-0.2 6,-0.1 0.981 72.1 50.7 -70.4 -68.7 28.9 55.2 -17.7 31 32 A D S S- 0 0 138 1,-0.1 -1,-0.2 4,-0.1 -2,-0.0 0.376 108.2-120.5 -55.9 -0.2 28.1 58.7 -16.7 32 33 A G S S+ 0 0 59 -6,-0.2 -1,-0.1 3,-0.1 -2,-0.1 0.857 72.0 140.2 55.1 35.9 29.6 57.7 -13.3 33 34 A G - 0 0 55 2,-0.3 3,-0.1 40,-0.0 -1,-0.1 0.646 69.3-115.7 -81.8 -21.9 26.1 58.7 -12.1 34 35 A G S S+ 0 0 18 1,-0.3 40,-1.7 39,-0.1 2,-0.3 0.696 83.6 88.9 92.3 22.0 25.8 55.8 -9.6 35 36 A D E -A 73 0A 48 38,-0.2 -1,-0.3 39,-0.1 -2,-0.3 -0.981 56.3-154.2-150.4 152.0 22.9 54.2 -11.3 36 37 A I E -A 72 0A 3 36,-2.0 36,-2.4 -2,-0.3 2,-0.3 -0.692 37.1 -91.4-115.5 168.7 22.4 51.6 -14.1 37 38 A S E > -A 71 0A 49 -9,-0.3 3,-1.9 -2,-0.3 4,-0.4 -0.639 33.0-124.4 -81.9 141.6 19.4 51.1 -16.4 38 39 A T T 3> S+ 0 0 20 32,-1.3 4,-0.5 1,-0.3 3,-0.4 0.656 110.2 75.3 -66.4 -11.8 16.9 48.6 -15.0 39 40 A K T 34 S+ 0 0 134 31,-0.5 4,-0.3 1,-0.2 -1,-0.3 0.821 98.7 41.4 -68.3 -29.6 17.6 46.8 -18.3 40 41 A E T <> S+ 0 0 58 -3,-1.9 4,-2.5 2,-0.1 -1,-0.2 0.458 87.9 95.9 -95.8 -6.9 20.9 45.7 -16.8 41 42 A L H > S+ 0 0 0 -4,-0.4 4,-2.6 -3,-0.4 5,-0.2 0.948 84.7 48.9 -52.4 -52.5 19.6 44.8 -13.3 42 43 A G H X S+ 0 0 8 -4,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.914 112.0 50.6 -54.1 -48.1 19.2 41.1 -14.1 43 44 A T H > S+ 0 0 56 -4,-0.3 4,-2.2 1,-0.2 5,-0.2 0.922 110.9 44.9 -55.6 -55.8 22.7 40.9 -15.6 44 45 A V H X S+ 0 0 0 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.913 113.7 52.2 -57.5 -44.8 24.5 42.5 -12.7 45 46 A M H <>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 -2,-0.2 0.879 111.2 47.1 -57.2 -49.0 22.5 40.3 -10.2 46 47 A R H ><5S+ 0 0 111 -4,-2.6 3,-1.6 3,-0.2 -1,-0.2 0.750 106.7 55.1 -62.5 -38.5 23.4 37.2 -12.1 47 48 A M H 3<5S+ 0 0 111 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.835 109.0 51.0 -67.8 -25.5 27.1 38.0 -12.3 48 49 A L T 3<5S- 0 0 29 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.094 127.8-102.3 -98.4 25.3 27.0 38.4 -8.6 49 50 A G T < 5S+ 0 0 61 -3,-1.6 -3,-0.2 1,-0.2 2,-0.2 0.492 76.9 129.9 65.2 26.4 25.4 35.0 -8.3 50 51 A Q < - 0 0 24 -5,-2.1 -1,-0.2 -8,-0.1 35,-0.1 -0.568 41.4-155.3 -98.3 160.8 21.7 35.7 -7.7 51 52 A N + 0 0 121 -2,-0.2 2,-0.2 33,-0.1 -9,-0.0 -0.563 16.7 177.1-145.0 74.3 18.9 34.1 -9.8 52 53 A P - 0 0 4 0, 0.0 2,-0.1 0, 0.0 -6,-0.0 -0.560 31.9-120.1 -78.1 141.6 15.8 36.2 -9.8 53 54 A T > - 0 0 74 -2,-0.2 4,-1.7 1,-0.1 5,-0.1 -0.469 28.9-109.9 -74.2 161.5 13.0 34.9 -12.0 54 55 A K H > S+ 0 0 135 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.866 121.4 55.7 -58.6 -40.6 11.9 37.3 -14.8 55 56 A E H > S+ 0 0 134 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.892 107.2 47.3 -59.8 -40.9 8.7 37.9 -12.9 56 57 A E H > S+ 0 0 33 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.859 111.9 51.5 -73.4 -27.9 10.6 39.0 -9.7 57 58 A L H X S+ 0 0 6 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.920 109.5 49.8 -70.5 -42.9 12.8 41.2 -11.9 58 59 A D H X S+ 0 0 68 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.840 109.6 51.2 -62.1 -41.4 9.7 42.8 -13.4 59 60 A A H X S+ 0 0 45 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.890 110.6 50.2 -62.3 -43.8 8.3 43.3 -9.8 60 61 A I H X S+ 0 0 13 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.877 108.1 48.7 -63.5 -44.5 11.5 45.1 -8.8 61 62 A I H X S+ 0 0 40 -4,-2.0 4,-3.9 2,-0.2 -1,-0.2 0.930 109.7 55.2 -58.8 -48.4 11.8 47.5 -11.7 62 63 A E H < S+ 0 0 139 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.919 111.6 45.2 -43.2 -44.3 8.1 48.4 -11.0 63 64 A E H < S+ 0 0 91 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.869 122.1 33.6 -78.8 -43.5 9.1 49.2 -7.4 64 65 A V H < S+ 0 0 16 -4,-2.8 2,-0.9 1,-0.2 3,-0.4 0.776 110.3 61.7 -83.6 -37.5 12.3 51.2 -8.1 65 66 A D < + 0 0 43 -4,-3.9 3,-0.2 -5,-0.3 -1,-0.2 -0.396 58.0 136.3 -89.4 52.8 11.3 52.9 -11.4 66 67 A E S S+ 0 0 92 -2,-0.9 -1,-0.2 -3,-0.3 -2,-0.1 0.815 74.7 44.2 -70.8 -27.8 8.3 54.8 -10.0 67 68 A D S S- 0 0 128 -3,-0.4 -1,-0.2 0, 0.0 -2,-0.1 0.625 109.2-112.8 -91.0 -13.2 9.4 58.1 -11.9 68 69 A G S S+ 0 0 60 -3,-0.2 -2,-0.1 3,-0.1 -3,-0.1 0.621 74.3 132.1 89.7 17.3 10.2 56.7 -15.4 69 70 A S - 0 0 72 2,-0.2 3,-0.1 1,-0.1 -4,-0.1 0.869 63.4-137.3 -64.1 -38.0 14.0 57.4 -15.2 70 71 A G + 0 0 25 1,-0.3 -32,-1.3 -9,-0.1 -31,-0.5 0.696 68.0 102.5 84.3 24.9 14.6 53.9 -16.4 71 72 A T E -A 37 0A 36 -34,-0.3 2,-0.4 -33,-0.1 -1,-0.3 -0.914 56.8-153.7-141.4 158.4 17.4 53.6 -13.8 72 73 A I E -A 36 0A 0 -36,-2.4 -36,-2.0 -2,-0.3 2,-0.2 -0.987 22.6-134.8-133.4 130.7 18.1 52.0 -10.3 73 74 A D E > -A 35 0A 56 -2,-0.4 4,-2.2 -38,-0.2 -38,-0.2 -0.539 27.6-105.5 -91.6 160.1 20.7 53.5 -7.9 74 75 A F H > S+ 0 0 10 -40,-1.7 4,-2.2 1,-0.2 5,-0.2 0.848 117.6 55.0 -49.6 -47.8 23.3 51.5 -6.0 75 76 A E H > S+ 0 0 63 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.931 111.4 41.7 -55.9 -52.5 21.5 51.9 -2.7 76 77 A E H > S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.830 112.7 59.3 -64.7 -29.6 18.1 50.5 -4.0 77 78 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.901 104.0 47.5 -66.1 -41.8 20.3 47.9 -5.8 78 79 A L H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.886 109.5 55.9 -66.0 -38.4 21.8 46.6 -2.4 79 80 A V H X S+ 0 0 5 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.961 111.9 41.5 -51.4 -52.5 18.2 46.5 -1.1 80 81 A M H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.884 112.0 56.4 -66.1 -39.9 17.2 44.2 -4.0 81 82 A M H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.900 108.5 45.3 -58.1 -53.7 20.4 42.2 -3.7 82 83 A V H X S+ 0 0 7 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.884 111.4 52.9 -62.0 -39.2 19.8 41.4 0.0 83 84 A R H X S+ 0 0 83 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.954 113.9 43.8 -56.3 -52.1 16.1 40.5 -0.6 84 85 A Q H X S+ 0 0 4 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.870 111.6 53.3 -58.9 -45.4 17.2 38.1 -3.3 85 86 A M H X S+ 0 0 43 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.913 112.6 43.8 -62.0 -43.1 20.1 36.7 -1.2 86 87 A K H X S+ 0 0 112 -4,-3.1 4,-1.9 2,-0.2 5,-0.3 0.896 113.0 50.9 -66.0 -41.7 17.7 35.9 1.7 87 88 A E H X S+ 0 0 95 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.917 114.9 44.9 -60.6 -44.0 15.1 34.4 -0.6 88 89 A D H X S+ 0 0 52 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.938 111.3 50.6 -66.6 -54.9 17.7 32.2 -2.3 89 90 A A H X S+ 0 0 62 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.902 110.1 49.2 -49.4 -56.0 19.5 31.0 0.9 90 91 A K H X S+ 0 0 128 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.976 110.4 53.4 -47.0 -56.4 16.2 29.9 2.6 91 92 A G H X S+ 0 0 36 -4,-1.7 4,-1.6 -5,-0.3 -2,-0.2 0.898 107.2 50.2 -47.5 -55.0 15.4 28.1 -0.6 92 93 A K H X S+ 0 0 113 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.857 110.1 50.0 -51.4 -48.8 18.8 26.2 -0.5 93 94 A S H X S+ 0 0 50 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.922 105.3 56.6 -63.5 -43.2 18.3 25.1 3.1 94 95 A E H X S+ 0 0 60 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.861 111.8 45.0 -48.7 -44.3 14.7 23.8 2.3 95 96 A E H X S+ 0 0 96 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.857 111.2 49.0 -68.4 -46.0 16.3 21.6 -0.3 96 97 A E H X S+ 0 0 88 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.898 111.4 53.0 -63.8 -34.1 19.2 20.3 1.7 97 98 A L H X S+ 0 0 16 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.909 108.2 49.0 -68.1 -41.2 16.7 19.5 4.4 98 99 A E H X S+ 0 0 92 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.918 113.2 47.4 -63.2 -43.4 14.6 17.5 2.0 99 100 A D H X S+ 0 0 60 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.943 108.8 55.0 -62.7 -46.5 17.7 15.7 0.9 100 101 A C H X S+ 0 0 27 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.899 107.3 49.8 -49.8 -48.8 18.8 15.1 4.5 101 102 A F H X S+ 0 0 14 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.919 108.0 51.7 -61.2 -50.2 15.4 13.5 5.3 102 103 A R H < S+ 0 0 143 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.837 112.7 47.7 -57.7 -35.2 15.5 11.1 2.3 103 104 A I H < S+ 0 0 122 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.942 113.2 46.4 -72.6 -45.1 19.0 10.1 3.4 104 105 A F H < S+ 0 0 49 -4,-2.7 2,-1.7 1,-0.2 -2,-0.2 0.784 97.9 73.8 -65.7 -31.2 18.0 9.5 7.1 105 106 A D >< + 0 0 10 -4,-2.4 3,-1.2 -5,-0.2 -1,-0.2 -0.684 67.4 176.7 -86.5 78.1 14.9 7.6 6.1 106 107 A K T 3 S+ 0 0 106 -2,-1.7 -1,-0.2 1,-0.3 6,-0.1 0.609 75.9 42.4 -64.3 -21.6 16.9 4.5 5.1 107 108 A N T 3 S- 0 0 93 4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.343 103.4-130.5-105.8 2.4 13.9 2.3 4.2 108 109 A A < + 0 0 84 -3,-1.2 -2,-0.1 -6,-0.2 4,-0.1 0.891 63.7 135.9 52.1 48.9 12.2 5.2 2.4 109 110 A D S S- 0 0 71 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.385 79.9-103.6-103.5 -0.2 8.9 4.6 4.3 110 111 A G S S+ 0 0 36 1,-0.2 40,-0.4 -5,-0.1 2,-0.3 0.479 91.7 84.1 93.6 3.2 8.4 8.3 4.9 111 112 A F - 0 0 51 38,-0.1 2,-0.7 39,-0.1 -2,-0.4 -0.992 69.5-134.6-140.4 155.6 9.4 8.2 8.5 112 113 A I E -B 148 0B 3 36,-3.0 36,-2.5 -2,-0.3 2,-0.1 -0.939 35.6-163.2-100.9 112.7 12.5 8.3 10.7 113 114 A D E > -B 147 0B 39 -2,-0.7 4,-3.7 34,-0.2 5,-0.2 -0.362 35.3 -98.0 -93.5 172.7 11.9 5.6 13.3 114 115 A I H > S+ 0 0 47 32,-0.5 4,-2.2 1,-0.2 5,-0.2 0.866 125.1 53.1 -61.0 -34.9 13.8 5.2 16.5 115 116 A E H > S+ 0 0 138 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.940 113.1 42.0 -65.8 -46.3 16.1 2.6 15.0 116 117 A E H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.892 112.8 54.7 -60.5 -47.5 17.0 4.9 12.0 117 118 A L H X S+ 0 0 6 -4,-3.7 4,-2.4 1,-0.2 5,-0.2 0.943 110.4 46.5 -53.5 -50.2 17.3 7.9 14.4 118 119 A G H X S+ 0 0 1 -4,-2.2 4,-3.6 -5,-0.2 5,-0.3 0.912 110.4 51.1 -57.5 -50.2 19.9 5.9 16.6 119 120 A E H X S+ 0 0 103 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.969 112.2 46.3 -57.8 -55.1 22.0 4.7 13.8 120 121 A I H < S+ 0 0 29 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.877 117.3 44.3 -57.0 -44.0 22.4 8.2 12.2 121 122 A L H ><>S+ 0 0 40 -4,-2.4 3,-1.7 -5,-0.2 5,-0.6 0.947 114.4 48.4 -63.4 -49.8 23.2 9.7 15.7 122 123 A R H ><5S+ 0 0 123 -4,-3.6 3,-1.2 1,-0.3 -1,-0.2 0.788 102.3 63.0 -60.5 -31.4 25.5 7.0 16.6 123 124 A A T 3<5S+ 0 0 85 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.629 87.3 73.7 -68.0 -16.7 27.3 7.2 13.3 124 125 A T T < 5S- 0 0 88 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.774 105.4-124.9 -68.0 -25.4 28.3 10.8 14.2 125 126 A G T < 5 + 0 0 56 -3,-1.2 -3,-0.1 -4,-0.4 -2,-0.1 0.376 65.6 140.3 95.4 -4.9 30.9 9.4 16.6 126 127 A E < - 0 0 144 -5,-0.6 2,-1.3 1,-0.1 -1,-0.4 -0.359 64.8-115.6 -72.5 154.2 29.3 11.5 19.3 127 128 A H + 0 0 179 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.582 57.3 153.1 -92.3 68.5 28.9 9.8 22.7 128 129 A V - 0 0 33 -2,-1.3 2,-0.2 -7,-0.1 -3,-0.1 -0.725 31.4-146.4 -97.8 142.6 25.1 9.9 22.7 129 130 A T > - 0 0 71 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.548 28.5-102.4-102.8 173.9 23.3 7.2 24.8 130 131 A E H > S+ 0 0 67 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.919 123.1 55.3 -60.0 -45.7 20.0 5.4 24.1 131 132 A E H > S+ 0 0 136 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.903 108.1 49.8 -55.7 -40.7 18.3 7.6 26.7 132 133 A D H > S+ 0 0 72 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.938 110.9 48.5 -63.6 -53.4 19.5 10.6 24.8 133 134 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.895 113.1 47.4 -57.2 -44.5 18.3 9.2 21.4 134 135 A E H X S+ 0 0 88 -4,-3.3 4,-2.0 2,-0.2 -1,-0.2 0.804 108.0 56.7 -69.3 -23.9 14.9 8.4 22.9 135 136 A D H X S+ 0 0 84 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.2 0.909 108.3 46.3 -68.5 -47.9 14.7 11.9 24.5 136 137 A L H X S+ 0 0 67 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.914 111.8 53.8 -63.1 -43.9 15.2 13.7 21.1 137 138 A M H X S+ 0 0 13 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.901 110.6 43.8 -56.5 -53.4 12.5 11.3 19.6 138 139 A K H < S+ 0 0 132 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.914 114.6 50.1 -58.6 -42.6 9.8 12.1 22.2 139 140 A D H < S+ 0 0 115 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.858 118.5 37.6 -63.6 -37.5 10.5 15.8 22.0 140 141 A S H < S+ 0 0 4 -4,-2.0 2,-1.6 -5,-0.2 -2,-0.2 0.743 94.1 90.6 -86.8 -27.5 10.3 15.8 18.2 141 142 A D >< + 0 0 10 -4,-2.7 3,-1.1 -5,-0.2 5,-0.1 -0.543 51.1 174.7 -80.2 89.6 7.5 13.4 17.8 142 143 A K T 3 S+ 0 0 124 -2,-1.6 -1,-0.2 1,-0.2 6,-0.1 0.604 74.9 42.7 -67.6 -26.3 4.4 15.7 17.8 143 144 A N T 3 S- 0 0 92 4,-0.3 -1,-0.2 0, 0.0 -2,-0.1 0.228 105.0-123.7-108.6 12.5 1.6 13.2 17.1 144 145 A N S < S+ 0 0 139 -3,-1.1 -2,-0.1 -6,-0.2 -3,-0.1 0.702 70.6 131.1 53.6 35.2 3.1 10.6 19.5 145 146 A D S S- 0 0 53 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.294 76.3-113.1 -95.6 4.0 3.2 7.9 16.8 146 147 A G S S+ 0 0 39 1,-0.2 -32,-0.5 -5,-0.1 2,-0.3 0.342 87.1 80.8 85.0 -2.2 6.8 7.0 17.6 147 148 A R E S-B 113 0B 91 -34,-0.2 2,-0.5 -33,-0.1 -2,-0.3 -0.854 74.0-122.0-133.9 166.6 8.3 8.2 14.3 148 149 A I E -B 112 0B 0 -36,-2.5 -36,-3.0 -2,-0.3 2,-0.2 -0.964 24.4-163.4-110.4 121.7 9.3 11.5 12.7 149 150 A D > - 0 0 42 -2,-0.5 4,-2.3 -38,-0.2 5,-0.1 -0.344 41.2 -94.6 -92.8 178.5 7.6 12.6 9.5 150 151 A F H > S+ 0 0 63 -40,-0.4 4,-2.4 1,-0.2 5,-0.2 0.886 127.8 55.0 -58.7 -43.7 9.1 15.3 7.2 151 152 A D H > S+ 0 0 102 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.954 111.9 40.6 -54.8 -59.5 6.9 17.8 9.0 152 153 A E H > S+ 0 0 10 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.809 112.0 58.8 -65.0 -31.4 8.2 16.9 12.4 153 154 A F H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.893 105.2 47.9 -63.3 -41.3 11.8 16.7 10.9 154 155 A L H X S+ 0 0 38 -4,-2.4 4,-3.4 2,-0.2 -2,-0.2 0.907 114.9 46.0 -65.3 -42.6 11.7 20.3 9.7 155 156 A K H X S+ 0 0 114 -4,-1.8 4,-1.2 -5,-0.2 -2,-0.2 0.928 114.2 49.9 -64.2 -43.2 10.4 21.4 13.1 156 157 A M H < S+ 0 0 48 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.916 118.4 36.3 -57.7 -53.1 13.0 19.2 14.7 157 158 A M H < S+ 0 0 89 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.953 123.7 39.9 -70.3 -52.7 15.9 20.6 12.6 158 159 A E H < S- 0 0 95 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.311 87.7-166.7 -81.8 -0.0 14.8 24.3 12.4 159 160 A G < - 0 0 46 -4,-1.2 2,-0.9 -3,-0.2 -1,-0.2 0.060 55.3 -4.5 49.5-150.2 13.5 24.8 15.9 160 161 A V 0 0 146 1,-0.2 -1,-0.1 0, 0.0 -5,-0.0 -0.669 360.0 360.0 -80.2 103.4 11.4 27.8 16.8 161 162 A Q 0 0 139 -2,-0.9 -1,-0.2 -6,-0.0 -2,-0.0 0.752 360.0 360.0 -72.5 360.0 11.2 30.2 13.8