==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM/PHOSPHOLIPID-BINDING PROTEIN 21-SEP-95 1ANN . COMPND 2 MOLECULE: ANNEXIN IV; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.B.SUTTON,S.R.SPRANG . 315 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14631.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 74.9 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 . 0 0.0 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 . 7 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 5 0 2 4 2 1 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 54 0, 0.0 276,-3.1 0, 0.0 277,-0.6 0.000 360.0 360.0 360.0-152.3 -1.4 -6.8 8.3 2 5 A G - 0 0 16 271,-0.5 271,-0.3 274,-0.2 270,-0.1 -0.393 360.0-144.7 -89.1 164.0 -2.7 -3.2 8.1 3 6 A T S S+ 0 0 28 269,-2.9 2,-0.5 307,-0.2 270,-0.2 0.702 81.3 73.7 -96.4 -30.6 -5.0 -1.5 5.6 4 7 A V - 0 0 12 268,-1.3 2,-0.3 306,-0.1 -2,-0.1 -0.786 64.8-179.7 -91.9 128.3 -3.3 2.0 5.7 5 8 A K - 0 0 165 -2,-0.5 2,-0.0 36,-0.1 -2,-0.0 -0.927 34.9 -91.9-128.1 155.8 0.0 2.2 4.0 6 9 A A - 0 0 63 -2,-0.3 34,-0.1 34,-0.2 2,-0.1 -0.340 46.9-121.2 -61.5 134.7 2.6 4.9 3.3 7 10 A A - 0 0 29 32,-0.1 3,-0.4 34,-0.1 2,-0.2 -0.449 18.7-129.2 -79.8 151.0 2.0 6.6 -0.1 8 11 A S S S+ 0 0 118 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 -0.634 91.3 36.5 -94.1 162.2 4.7 6.6 -2.8 9 12 A G S S- 0 0 84 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.919 87.0-176.2 62.0 38.3 5.8 9.8 -4.4 10 13 A F + 0 0 60 -3,-0.4 2,-0.4 4,-0.0 -1,-0.2 -0.592 17.9 171.9 -75.3 131.3 5.4 11.4 -1.0 11 14 A N >> - 0 0 75 -2,-0.4 4,-1.7 -3,-0.1 3,-0.5 -0.866 14.5-167.0-143.9 95.7 6.0 15.2 -0.8 12 15 A A H 3> S+ 0 0 15 -2,-0.4 4,-2.2 1,-0.2 -1,-0.1 0.816 88.1 51.7 -51.8 -41.7 5.1 16.6 2.5 13 16 A A H 3> S+ 0 0 31 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.795 107.5 51.8 -71.0 -30.6 5.2 20.3 1.3 14 17 A E H <> S+ 0 0 101 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.870 112.3 47.7 -71.9 -35.9 2.9 19.6 -1.6 15 18 A D H X S+ 0 0 13 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.875 108.0 54.0 -68.7 -43.7 0.5 18.0 0.9 16 19 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.930 109.7 48.8 -56.3 -45.4 0.8 21.0 3.4 17 20 A Q H X S+ 0 0 116 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.889 110.2 51.3 -62.3 -41.7 -0.2 23.3 0.5 18 21 A T H X S+ 0 0 58 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.881 110.3 48.3 -63.9 -41.1 -3.1 21.0 -0.4 19 22 A L H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.937 111.2 50.8 -65.5 -44.4 -4.4 21.0 3.2 20 23 A R H >X S+ 0 0 62 -4,-2.6 4,-2.6 1,-0.2 3,-0.5 0.926 109.8 49.2 -58.8 -46.6 -4.1 24.9 3.4 21 24 A K H 3< S+ 0 0 175 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.854 108.9 54.2 -64.0 -31.5 -6.0 25.4 0.2 22 25 A A H 3< S+ 0 0 8 -4,-1.5 7,-2.7 -5,-0.2 -1,-0.2 0.789 118.6 33.8 -72.6 -28.0 -8.7 23.0 1.5 23 26 A M H << S+ 0 0 4 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.660 90.5 106.8-100.5 -22.9 -9.2 25.0 4.7 24 27 A K S < S+ 0 0 140 -4,-2.6 2,-0.1 -5,-0.2 5,-0.0 -0.340 74.1 15.2 -61.3 138.7 -8.5 28.6 3.6 25 28 A G S S- 0 0 57 3,-0.0 2,-0.5 -2,-0.0 -3,-0.0 -0.339 112.2 -28.0 94.5-177.4 -11.6 30.7 3.4 26 29 A L S S+ 0 0 189 -2,-0.1 2,-0.1 2,-0.0 -2,-0.1 -0.655 116.8 3.6 -75.8 123.5 -15.1 30.5 4.7 27 30 A G S S- 0 0 48 -2,-0.5 2,-0.3 -4,-0.1 40,-0.0 -0.454 83.1 -95.1 98.7-170.2 -15.9 26.8 5.1 28 31 A T - 0 0 33 -2,-0.1 2,-1.1 4,-0.0 -5,-0.2 -0.996 8.0-133.8-154.3 143.6 -13.8 23.6 4.5 29 32 A D > + 0 0 85 -7,-2.7 4,-1.3 -2,-0.3 3,-0.4 -0.769 29.8 177.0 -97.5 86.2 -13.1 21.1 1.8 30 33 A E H > S+ 0 0 62 -2,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.827 75.5 56.7 -61.6 -33.6 -13.4 18.0 3.9 31 34 A D H > S+ 0 0 52 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.873 103.9 51.5 -69.3 -32.0 -12.9 15.6 1.0 32 35 A A H 4 S+ 0 0 19 -3,-0.4 4,-0.5 1,-0.2 -1,-0.2 0.829 111.1 50.7 -70.5 -31.0 -9.6 17.2 0.1 33 36 A I H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 3,-0.5 0.907 113.1 44.3 -70.6 -43.7 -8.6 16.7 3.7 34 37 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 5,-0.3 0.914 107.3 58.5 -66.6 -46.7 -9.6 13.0 3.6 35 38 A N H < S+ 0 0 86 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.634 117.7 34.1 -61.9 -13.8 -8.0 12.3 0.2 36 39 A V H >4 S+ 0 0 9 -3,-0.5 3,-1.6 -4,-0.5 -2,-0.2 0.806 122.5 38.2-101.8 -67.6 -4.7 13.4 1.7 37 40 A L H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.3 -3,-0.2 0.746 114.1 53.7 -56.8 -36.8 -4.6 12.4 5.4 38 41 A A T 3< S+ 0 0 2 -4,-2.1 -1,-0.3 -5,-0.3 -3,-0.1 0.621 107.4 53.1 -75.9 -12.8 -6.4 9.0 5.0 39 42 A Y T < S+ 0 0 113 -3,-1.6 2,-0.3 -5,-0.3 -1,-0.2 -0.108 99.1 75.3-114.1 35.7 -3.9 7.9 2.3 40 43 A R S < S- 0 0 40 -3,-0.9 -34,-0.2 -34,-0.1 2,-0.1 -0.968 80.9-113.9-141.5 150.3 -0.8 8.6 4.3 41 44 A S > - 0 0 14 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.409 35.8-104.9 -80.7 165.6 0.8 6.6 7.1 42 45 A T H > S+ 0 0 22 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.909 122.2 53.2 -57.3 -42.6 1.0 8.2 10.6 43 46 A A H > S+ 0 0 66 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.930 109.0 48.1 -59.1 -47.1 4.7 8.9 10.1 44 47 A Q H > S+ 0 0 21 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.899 107.4 57.0 -61.0 -38.3 4.1 10.7 6.9 45 48 A R H X S+ 0 0 7 -4,-2.3 4,-2.1 1,-0.3 -1,-0.2 0.879 103.6 53.4 -59.6 -38.9 1.3 12.7 8.6 46 49 A Q H X S+ 0 0 42 -4,-1.9 4,-1.6 1,-0.2 -1,-0.3 0.840 106.4 52.7 -64.0 -34.3 3.9 13.9 11.1 47 50 A E H X S+ 0 0 113 -4,-1.3 4,-1.9 -3,-0.3 -1,-0.2 0.750 106.6 53.1 -71.0 -30.2 6.1 15.0 8.2 48 51 A I H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.914 105.5 53.2 -73.1 -38.9 3.1 17.0 6.9 49 52 A R H X S+ 0 0 74 -4,-2.1 4,-1.8 1,-0.2 11,-0.3 0.910 111.5 47.0 -58.5 -42.9 2.7 18.7 10.3 50 53 A T H X S+ 0 0 87 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.904 113.9 46.2 -64.7 -44.3 6.3 19.8 10.2 51 54 A A H X S+ 0 0 13 -4,-1.9 4,-3.1 2,-0.2 5,-0.5 0.860 107.8 57.2 -68.1 -37.8 6.2 21.0 6.6 52 55 A Y H X>S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-1.2 0.955 111.7 42.4 -59.5 -48.9 2.9 22.9 7.2 53 56 A K H X5S+ 0 0 106 -4,-1.8 4,-1.9 3,-0.2 -2,-0.2 0.991 120.5 41.1 -60.8 -58.6 4.6 24.9 9.9 54 57 A T H <5S+ 0 0 119 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.777 129.2 29.4 -62.5 -26.4 7.8 25.5 8.1 55 58 A T H <5S+ 0 0 83 -4,-3.1 -1,-0.2 -5,-0.2 -3,-0.2 0.741 132.9 28.7-107.6 -28.7 6.1 26.1 4.7 56 59 A I H <5S- 0 0 46 -4,-3.1 -3,-0.2 -5,-0.5 -2,-0.2 0.650 93.9-132.3-104.5 -23.8 2.8 27.6 5.6 57 60 A G << + 0 0 56 -4,-1.9 2,-0.3 -5,-1.2 -4,-0.2 0.541 69.8 109.7 81.0 7.4 3.9 29.2 8.9 58 61 A R S S- 0 0 96 -6,-0.9 2,-0.6 -5,-0.0 -1,-0.3 -0.745 75.4-111.8-116.7 160.5 0.8 27.8 10.6 59 62 A D > - 0 0 54 -2,-0.3 4,-1.3 1,-0.2 5,-0.1 -0.831 24.7-154.4 -88.7 124.1 0.1 25.1 13.2 60 63 A L H > S+ 0 0 4 -2,-0.6 4,-2.6 -11,-0.3 5,-0.2 0.877 89.5 54.6 -67.7 -40.2 -1.7 22.2 11.4 61 64 A M H > S+ 0 0 19 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.892 106.5 52.5 -62.5 -38.1 -3.5 20.8 14.5 62 65 A D H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.877 111.7 45.9 -66.4 -38.6 -5.0 24.3 15.4 63 66 A D H X S+ 0 0 11 -4,-1.3 4,-2.8 2,-0.2 5,-0.2 0.890 112.7 49.5 -70.0 -41.1 -6.4 24.6 11.9 64 67 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.943 114.1 47.3 -64.3 -43.3 -7.7 21.1 11.9 65 68 A K H < S+ 0 0 90 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.925 116.9 40.8 -62.7 -47.2 -9.3 21.7 15.3 66 69 A S H < S+ 0 0 90 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.879 119.9 45.5 -71.4 -34.0 -10.9 25.1 14.4 67 70 A E H < S+ 0 0 52 -4,-2.8 2,-0.2 -5,-0.2 -2,-0.2 0.779 110.4 53.3 -77.9 -34.5 -12.0 23.9 10.9 68 71 A L < - 0 0 8 -4,-2.2 2,-0.3 -5,-0.2 0, 0.0 -0.681 60.8-175.1-103.9 164.5 -13.5 20.5 11.8 69 72 A S > + 0 0 91 -2,-0.2 4,-1.2 0, 0.0 3,-0.5 -0.958 40.6 10.7-150.1 167.1 -16.1 19.4 14.3 70 73 A G H > S- 0 0 52 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 -0.174 113.3 -25.4 65.7-155.9 -17.8 16.4 15.7 71 74 A N H > S+ 0 0 54 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.840 135.3 60.4 -61.8 -35.7 -16.8 12.8 15.3 72 75 A F H > S+ 0 0 18 -3,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.942 106.8 45.9 -59.1 -46.8 -15.1 13.6 12.0 73 76 A E H X S+ 0 0 50 -4,-1.2 4,-2.8 1,-0.2 5,-0.3 0.906 111.0 54.3 -61.2 -41.2 -12.8 16.0 13.8 74 77 A Q H X S+ 0 0 50 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.887 110.6 44.9 -60.7 -42.0 -12.3 13.3 16.5 75 78 A V H >X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 3,-0.7 0.992 114.7 48.1 -65.6 -57.0 -11.2 10.7 13.8 76 79 A I H 3X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.3 -2,-0.2 0.884 111.5 47.5 -53.0 -47.3 -8.9 13.2 12.0 77 80 A L H 3X S+ 0 0 30 -4,-2.8 4,-0.6 1,-0.2 -1,-0.3 0.837 109.9 55.6 -65.4 -29.5 -7.1 14.5 15.1 78 81 A G H X< S+ 0 0 5 -4,-1.2 3,-0.9 -3,-0.7 -1,-0.2 0.906 106.2 50.6 -66.8 -40.2 -6.7 10.9 16.2 79 82 A M H 3< S+ 0 0 2 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.746 108.8 53.0 -68.0 -24.8 -5.0 10.1 12.9 80 83 A M H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.514 88.2 95.7 -89.1 -10.9 -2.7 13.1 13.4 81 84 A T S << S- 0 0 15 -3,-0.9 5,-0.1 -4,-0.6 -35,-0.1 -0.656 86.4-105.1 -85.1 132.3 -1.4 12.2 16.8 82 85 A P > - 0 0 46 0, 0.0 4,-2.0 0, 0.0 3,-0.4 -0.373 39.6-110.0 -58.6 137.4 1.9 10.3 17.1 83 86 A T H > S+ 0 0 94 1,-0.2 4,-1.3 2,-0.2 -2,-0.1 0.752 110.9 40.5 -32.1 -57.1 1.1 6.6 17.9 84 87 A V H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 114.6 54.2 -70.3 -36.6 2.3 6.3 21.6 85 88 A L H > S+ 0 0 38 -3,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.853 101.7 58.4 -65.5 -36.3 0.9 9.7 22.5 86 89 A Y H X S+ 0 0 14 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.938 108.2 45.6 -59.9 -45.0 -2.5 8.7 21.2 87 90 A D H X S+ 0 0 16 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.933 112.4 51.6 -60.8 -49.8 -2.7 5.7 23.6 88 91 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.902 112.6 46.1 -52.7 -45.3 -1.4 8.0 26.5 89 92 A Q H X S+ 0 0 65 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.862 111.6 49.9 -68.8 -38.6 -4.1 10.5 25.7 90 93 A E H X S+ 0 0 15 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.877 112.1 49.4 -68.0 -35.9 -6.9 8.0 25.5 91 94 A L H X S+ 0 0 0 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.959 112.1 47.7 -66.5 -48.8 -5.7 6.5 28.8 92 95 A R H >X S+ 0 0 49 -4,-2.7 4,-1.9 1,-0.2 3,-0.8 0.915 112.6 48.9 -56.9 -47.7 -5.7 9.9 30.4 93 96 A K H 3< S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.843 103.6 61.2 -62.0 -35.8 -9.2 10.7 29.0 94 97 A A H 3< S+ 0 0 4 -4,-1.9 7,-3.3 1,-0.2 -1,-0.2 0.734 110.4 40.4 -65.7 -25.2 -10.6 7.4 30.2 95 98 A M H << S+ 0 0 1 -4,-1.0 2,-1.0 -3,-0.8 -2,-0.2 0.878 100.3 73.8 -92.3 -38.6 -9.8 8.3 33.8 96 99 A K S < S+ 0 0 84 -4,-1.9 2,-0.3 5,-0.1 -1,-0.1 -0.619 76.2 74.3 -86.7 100.4 -10.7 12.0 34.0 97 100 A G S S- 0 0 61 -2,-1.0 3,-0.2 1,-0.1 -3,-0.0 -0.855 101.2 -74.0-173.0-162.8 -14.5 12.4 33.9 98 101 A A S S+ 0 0 122 1,-0.3 2,-0.4 -2,-0.3 -1,-0.1 0.854 123.7 18.8 -78.7 -36.8 -17.3 11.9 36.5 99 102 A G S S- 0 0 60 -3,-0.1 -1,-0.3 -5,-0.0 40,-0.0 -0.995 91.4-108.9-136.0 137.9 -16.8 8.1 35.9 100 103 A T - 0 0 31 -2,-0.4 2,-1.1 39,-0.3 -5,-0.2 -0.182 20.6-127.1 -60.9 151.1 -13.9 6.2 34.4 101 104 A D >> + 0 0 54 -7,-3.3 4,-1.5 1,-0.2 3,-0.6 -0.794 35.4 176.7 -99.0 84.3 -14.1 4.6 30.9 102 105 A E H 3> S+ 0 0 68 -2,-1.1 4,-2.1 1,-0.2 5,-0.2 0.785 71.5 62.4 -62.5 -28.7 -13.0 1.3 32.2 103 106 A G H 3> S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.878 102.9 49.1 -65.5 -38.0 -13.5 -0.4 28.9 104 107 A C H <> S+ 0 0 0 -3,-0.6 4,-2.1 2,-0.2 5,-0.3 0.925 109.3 52.7 -67.1 -43.2 -10.8 1.9 27.3 105 108 A L H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 5,-0.2 0.902 113.9 42.6 -57.9 -46.2 -8.4 1.1 30.2 106 109 A I H X S+ 0 0 6 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.933 110.5 56.1 -64.0 -52.4 -8.8 -2.7 29.7 107 110 A E H X S+ 0 0 0 -4,-2.6 4,-1.0 -5,-0.2 -2,-0.2 0.860 117.4 33.3 -48.0 -47.4 -8.7 -2.5 25.9 108 111 A I H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.947 118.9 47.8 -79.2 -54.2 -5.3 -0.8 25.8 109 112 A L H < S+ 0 0 4 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.767 116.9 45.0 -62.5 -24.5 -3.6 -2.2 28.9 110 113 A A H < S+ 0 0 16 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.816 115.7 42.7 -88.4 -30.8 -4.6 -5.8 27.8 111 114 A S H < S+ 0 0 0 -4,-1.0 2,-0.3 -5,-0.3 -2,-0.2 0.515 91.0 97.3 -94.4 -6.8 -3.7 -5.6 24.1 112 115 A R S < S- 0 0 20 -4,-1.3 42,-0.0 1,-0.1 -4,-0.0 -0.637 70.9-124.8 -88.6 142.3 -0.4 -3.8 24.2 113 116 A T > - 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