==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 18-SEP-12 2LYI . COMPND 2 MOLECULE: PROTEIN (ENTITY); . SOURCE 2 ORGANISM_SCIENTIFIC: NEPHILA ANTIPODIANA; . AUTHOR S.WANG,W.HUANG,D.YANG . 167 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8941.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 71.9 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 . 8 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 56.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 0 0 0 0 1 1 1 0 2 0 0 1 0 0 0 0 0 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 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 -6 A M 0 0 202 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -43.9 -3.3 18.4 15.6 2 -5 A H + 0 0 101 2,-0.1 10,-0.1 0, 0.0 0, 0.0 0.618 360.0 102.0-115.6 -26.4 -3.0 19.5 11.9 3 -4 A H S S- 0 0 117 1,-0.1 2,-0.0 7,-0.1 94,-0.0 -0.016 74.9-105.9 -55.1 165.2 -6.5 21.0 11.3 4 -3 A H - 0 0 120 1,-0.1 -1,-0.1 0, 0.0 6,-0.1 -0.117 19.5-120.2 -84.6-174.2 -6.9 24.7 11.3 5 -2 A H - 0 0 185 1,-0.1 2,-0.2 4,-0.0 -1,-0.1 0.907 65.9 -54.9 -92.0 -73.2 -8.5 26.9 14.0 6 -1 A H S S+ 0 0 150 3,-0.1 -1,-0.1 2,-0.0 0, 0.0 -0.754 86.6 92.1-177.4 126.8 -11.5 28.8 12.4 7 0 A H S S+ 0 0 172 -2,-0.2 153,-0.3 -3,-0.0 154,-0.0 -0.059 101.0 4.8-177.7 -64.4 -12.0 31.0 9.4 8 1 A S S S- 0 0 24 151,-0.1 -2,-0.0 152,-0.1 0, 0.0 0.026 109.4 -90.8-130.4 24.6 -13.1 29.3 6.2 9 2 A G - 0 0 39 150,-0.1 -3,-0.1 148,-0.0 5,-0.1 0.836 48.9 -92.7 65.3 110.8 -13.5 25.7 7.5 10 3 A S > - 0 0 15 1,-0.1 4,-1.6 -5,-0.1 5,-0.2 -0.144 27.5-128.8 -51.6 144.3 -10.4 23.5 7.3 11 4 A L H > S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.883 109.6 50.2 -64.0 -39.3 -10.2 21.5 4.1 12 5 A G H > S+ 0 0 8 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.846 103.7 59.8 -68.3 -34.3 -9.6 18.3 6.1 13 6 A D H > S+ 0 0 84 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.943 110.1 40.4 -58.8 -50.8 -12.6 19.0 8.3 14 7 A Q H X S+ 0 0 33 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.915 113.8 54.0 -65.1 -44.5 -15.0 19.0 5.4 15 8 A L H X S+ 0 0 5 -4,-2.0 4,-3.2 1,-0.2 5,-0.3 0.907 112.2 44.3 -56.6 -44.3 -13.3 16.0 3.7 16 9 A T H X S+ 0 0 21 -4,-2.6 4,-2.9 2,-0.2 5,-0.4 0.890 110.9 54.3 -68.4 -40.4 -13.6 14.0 6.9 17 10 A S H X S+ 0 0 78 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.909 119.3 33.5 -60.2 -43.9 -17.2 15.0 7.4 18 11 A T H X S+ 0 0 34 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.932 119.9 49.1 -78.0 -49.5 -18.2 13.9 3.9 19 12 A L H X S+ 0 0 11 -4,-3.2 4,-2.2 -5,-0.3 -3,-0.2 0.916 118.0 41.3 -56.4 -46.2 -15.8 10.9 3.7 20 13 A A H X S+ 0 0 12 -4,-2.9 4,-1.3 -5,-0.3 -1,-0.2 0.883 113.7 53.4 -69.7 -39.7 -16.9 9.6 7.1 21 14 A S H X S+ 0 0 64 -4,-1.4 4,-0.5 -5,-0.4 -2,-0.2 0.915 113.1 43.0 -61.7 -44.8 -20.6 10.4 6.4 22 15 A A H >< S+ 0 0 3 -4,-3.0 3,-1.2 1,-0.2 -2,-0.2 0.919 114.3 49.3 -67.8 -45.1 -20.6 8.5 3.1 23 16 A L H >< S+ 0 0 8 -4,-2.2 3,-0.8 -5,-0.3 -1,-0.2 0.712 102.1 65.8 -67.3 -19.8 -18.6 5.6 4.6 24 17 A T H 3< S+ 0 0 50 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.726 107.4 39.3 -73.9 -22.3 -21.0 5.6 7.5 25 18 A K T << S+ 0 0 111 -3,-1.2 2,-0.5 -4,-0.5 -1,-0.2 0.149 95.0 107.7-111.4 16.0 -23.8 4.5 5.1 26 19 A T X> - 0 0 0 -3,-0.8 3,-2.6 1,-0.1 4,-2.6 -0.841 67.3-141.1-100.6 129.2 -21.6 2.1 3.1 27 20 A N H 3> S+ 0 0 33 -2,-0.5 4,-3.1 1,-0.3 5,-0.4 0.819 102.7 68.2 -53.6 -32.1 -22.1 -1.6 3.4 28 21 A T H 34 S+ 0 0 2 1,-0.2 -1,-0.3 2,-0.2 4,-0.3 0.725 113.4 29.7 -61.1 -20.7 -18.3 -1.9 3.2 29 22 A L H <> S+ 0 0 2 -3,-2.6 4,-2.4 -6,-0.2 -2,-0.2 0.745 120.6 50.3-106.5 -37.5 -18.3 -0.2 6.6 30 23 A K H X S+ 0 0 103 -4,-2.6 4,-2.2 2,-0.2 -3,-0.2 0.841 111.8 50.1 -70.7 -34.2 -21.6 -1.4 8.1 31 24 A A H X S+ 0 0 33 -4,-3.1 4,-1.4 -5,-0.3 -1,-0.2 0.933 116.9 38.6 -69.7 -47.7 -20.8 -5.0 7.3 32 25 A V H > S+ 0 0 17 -5,-0.4 4,-0.9 -4,-0.3 -2,-0.2 0.887 118.2 49.9 -70.3 -40.2 -17.3 -4.9 8.8 33 26 A S H >< S+ 0 0 11 -4,-2.4 3,-0.7 1,-0.2 48,-0.4 0.937 113.9 43.8 -64.1 -48.4 -18.4 -2.8 11.7 34 27 A A H 3< S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.792 107.3 61.9 -67.3 -28.2 -21.4 -4.9 12.6 35 28 A S H 3< S- 0 0 62 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.755 92.9-150.5 -69.3 -24.3 -19.2 -8.0 12.1 36 29 A K << + 0 0 112 -4,-0.9 -3,-0.1 -3,-0.7 -2,-0.1 0.957 32.2 162.8 50.2 60.0 -17.0 -6.8 15.0 37 30 A P - 0 0 34 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.964 41.7 -85.8 -69.7 -89.1 -13.9 -8.5 13.6 38 31 A S > - 0 0 30 41,-0.1 4,-2.8 1,-0.1 3,-0.4 -0.883 20.7-105.1 176.2 152.8 -10.8 -7.0 15.2 39 32 A A H > S+ 0 0 18 -2,-0.3 4,-1.2 1,-0.2 5,-0.1 0.683 116.3 64.9 -62.3 -16.7 -8.3 -4.1 15.0 40 33 A N H > S+ 0 0 132 2,-0.2 4,-0.9 1,-0.1 -1,-0.2 0.945 112.8 28.0 -71.7 -50.1 -5.9 -6.7 13.7 41 34 A V H > S+ 0 0 27 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.817 115.5 63.3 -80.5 -33.0 -7.8 -7.5 10.5 42 35 A A H X S+ 0 0 11 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.882 102.8 50.1 -58.6 -39.9 -9.3 -4.0 10.3 43 36 A V H X S+ 0 0 34 -4,-1.2 4,-1.9 -5,-0.2 -1,-0.2 0.883 111.0 48.4 -66.8 -39.4 -5.9 -2.4 9.9 44 37 A A H X S+ 0 0 30 -4,-0.9 4,-1.4 2,-0.2 -2,-0.2 0.835 112.0 50.3 -69.7 -33.6 -5.0 -4.8 7.1 45 38 A I H X S+ 0 0 7 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.937 111.9 45.3 -70.1 -48.4 -8.3 -4.1 5.3 46 39 A V H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.888 110.3 55.5 -62.6 -40.3 -8.0 -0.3 5.5 47 40 A T H X S+ 0 0 32 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.878 103.5 55.5 -60.6 -39.2 -4.3 -0.5 4.3 48 41 A S H X S+ 0 0 36 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.919 112.4 41.2 -60.7 -45.5 -5.4 -2.5 1.3 49 42 A G H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.824 112.5 55.3 -72.6 -31.8 -7.8 0.2 0.2 50 43 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.887 107.0 50.0 -68.0 -39.7 -5.4 3.0 1.1 51 44 A K H X S+ 0 0 138 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.914 115.0 43.0 -65.1 -44.1 -2.7 1.6 -1.1 52 45 A K H X S+ 0 0 93 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.916 114.7 49.9 -68.4 -44.4 -5.0 1.3 -4.1 53 46 A A H X S+ 0 0 0 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.937 116.8 40.3 -59.8 -49.5 -6.6 4.7 -3.5 54 47 A L H <>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 3,-0.3 0.861 114.4 54.0 -68.5 -36.3 -3.3 6.4 -3.2 55 48 A G H ><5S+ 0 0 53 -4,-2.2 3,-0.7 -5,-0.3 -1,-0.2 0.818 107.8 49.8 -68.0 -30.8 -1.8 4.4 -6.1 56 49 A A H 3<5S+ 0 0 45 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.673 109.7 51.9 -80.5 -18.4 -4.7 5.3 -8.4 57 50 A L T 3<5S- 0 0 34 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.215 111.7-119.1-100.8 13.0 -4.2 9.0 -7.5 58 51 A R T < 5 + 0 0 219 -3,-0.7 2,-0.2 1,-0.2 -3,-0.2 0.853 50.7 177.3 51.8 37.2 -0.4 8.9 -8.3 59 52 A I < - 0 0 26 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.528 38.1 -95.9 -75.3 136.0 0.2 9.8 -4.7 60 53 A N > - 0 0 99 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.195 26.0-131.7 -51.0 135.6 3.9 10.0 -3.6 61 54 A A H > S+ 0 0 76 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.860 105.1 60.2 -58.6 -37.0 5.0 6.8 -2.0 62 55 A G H > S+ 0 0 40 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.942 112.9 34.6 -57.1 -51.7 6.5 8.8 0.8 63 56 A V H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.840 115.4 57.3 -72.6 -34.1 3.2 10.4 1.9 64 57 A S H X S+ 0 0 25 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.736 105.6 53.2 -68.3 -22.2 1.3 7.2 1.0 65 58 A S H X S+ 0 0 71 -4,-1.6 4,-1.5 -5,-0.2 -1,-0.2 0.908 112.0 41.0 -78.9 -45.3 3.5 5.3 3.4 66 59 A Q H X S+ 0 0 95 -4,-1.4 4,-2.3 1,-0.2 5,-0.2 0.846 109.4 60.8 -71.1 -34.9 3.0 7.6 6.4 67 60 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.886 106.8 45.9 -59.4 -40.2 -0.8 7.9 5.6 68 61 A T H X S+ 0 0 21 -4,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.891 109.8 53.7 -70.3 -40.7 -1.2 4.1 6.0 69 62 A S H X S+ 0 0 76 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.893 116.2 39.3 -61.3 -41.0 0.8 4.0 9.3 70 63 A A H X S+ 0 0 28 -4,-2.3 4,-2.3 2,-0.2 3,-0.5 0.959 113.6 51.8 -73.6 -54.1 -1.4 6.7 10.8 71 64 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.3 -2,-0.2 0.862 110.6 51.3 -50.7 -39.2 -4.7 5.5 9.4 72 65 A S H X S+ 0 0 22 -4,-2.2 4,-2.0 2,-0.2 -1,-0.3 0.867 107.1 53.4 -67.6 -37.3 -3.9 2.1 10.8 73 66 A Q H < S+ 0 0 118 -4,-1.1 -2,-0.2 -3,-0.5 4,-0.2 0.941 111.1 44.4 -63.2 -49.2 -3.1 3.5 14.2 74 67 A A H >X S+ 0 0 30 -4,-2.3 4,-1.2 16,-0.3 3,-1.0 0.894 116.1 47.3 -62.8 -41.4 -6.5 5.4 14.5 75 68 A V H 3< S+ 0 0 1 -4,-2.1 4,-0.5 15,-0.4 -1,-0.2 0.806 110.1 53.1 -70.2 -29.9 -8.4 2.3 13.2 76 69 A A T 3< S+ 0 0 41 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.405 107.7 53.8 -84.9 2.1 -6.4 0.1 15.6 77 70 A N T <4 S+ 0 0 107 -3,-1.0 -2,-0.2 -4,-0.2 -1,-0.2 0.684 93.6 65.6-105.2 -27.9 -7.5 2.4 18.5 78 71 A V S < S- 0 0 28 -4,-1.2 -2,-0.1 -5,-0.1 -3,-0.1 0.749 93.8-153.7 -66.5 -23.5 -11.2 2.3 17.9 79 72 A R - 0 0 180 -4,-0.5 3,-0.4 2,-0.1 -2,-0.1 0.330 26.9 -60.0 63.3 158.2 -11.2 -1.4 18.8 80 73 A P S S+ 0 0 32 0, 0.0 3,-0.1 0, 0.0 -47,-0.1 -0.275 113.2 49.8 -69.8 156.5 -13.8 -3.9 17.5 81 74 A G S S+ 0 0 50 -48,-0.4 2,-0.4 1,-0.3 -48,-0.1 0.682 81.2 127.6 88.0 19.3 -17.5 -3.6 18.3 82 75 A S - 0 0 22 -3,-0.4 -1,-0.3 -49,-0.1 -46,-0.2 -0.886 64.5-101.7-112.9 141.9 -17.7 0.1 17.2 83 76 A S >> - 0 0 82 -2,-0.4 4,-1.2 1,-0.1 3,-0.7 -0.015 34.8-108.0 -53.1 161.1 -20.1 1.6 14.7 84 77 A P H 3> S+ 0 0 12 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.567 113.3 73.0 -69.7 -8.2 -18.9 2.3 11.1 85 78 A A H 3> S+ 0 0 43 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.897 99.5 41.4 -73.3 -42.1 -19.0 6.0 11.9 86 79 A V H <> S+ 0 0 58 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.874 114.7 52.0 -72.9 -38.8 -15.9 5.8 14.1 87 80 A Y H < S+ 0 0 10 -4,-1.2 4,-0.5 2,-0.2 -2,-0.2 0.932 110.3 47.4 -63.4 -47.3 -14.0 3.5 11.8 88 81 A A H X S+ 0 0 0 -4,-1.8 4,-1.2 1,-0.2 3,-0.5 0.851 114.3 48.2 -62.9 -35.3 -14.6 5.8 8.8 89 82 A K H X S+ 0 0 116 -4,-1.3 4,-2.8 1,-0.2 -1,-0.2 0.858 105.7 56.6 -73.5 -36.5 -13.6 8.8 10.8 90 83 A A H < S+ 0 0 9 -4,-2.3 -15,-0.4 1,-0.2 -16,-0.3 0.566 113.4 43.0 -71.4 -7.8 -10.4 7.0 12.1 91 84 A I H 4 S+ 0 0 7 -4,-0.5 -1,-0.2 -3,-0.5 -2,-0.2 0.634 118.3 41.5-108.5 -23.7 -9.5 6.5 8.4 92 85 A A H X S+ 0 0 3 -4,-1.2 4,-3.2 3,-0.1 5,-0.3 0.820 108.2 59.0 -91.8 -38.2 -10.4 10.0 7.1 93 86 A A H X S+ 0 0 33 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.969 113.3 37.0 -54.6 -59.4 -9.0 12.0 10.0 94 87 A P H > S+ 0 0 7 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.617 118.2 55.5 -69.8 -12.3 -5.4 10.7 9.6 95 88 A S H > S+ 0 0 3 2,-0.2 4,-2.6 -3,-0.1 -2,-0.2 0.879 109.2 42.0 -86.9 -44.4 -6.0 10.8 5.8 96 89 A V H X S+ 0 0 8 -4,-3.2 4,-2.6 2,-0.2 5,-0.3 0.883 111.5 56.1 -70.0 -39.6 -7.0 14.4 5.4 97 90 A Q H X S+ 0 0 66 -4,-2.0 4,-1.1 -5,-0.3 -1,-0.2 0.876 117.8 34.6 -60.2 -38.9 -4.3 15.6 7.8 98 91 A I H X S+ 0 0 12 -4,-0.6 4,-1.7 2,-0.2 6,-0.3 0.838 115.9 54.8 -84.1 -36.9 -1.6 13.9 5.7 99 92 A L H <>S+ 0 0 4 -4,-2.6 6,-1.6 1,-0.2 5,-1.0 0.849 114.4 41.6 -64.9 -34.7 -3.3 14.6 2.4 100 93 A V H <5S+ 0 0 48 -4,-2.6 3,-0.4 4,-0.2 -1,-0.2 0.826 112.7 53.0 -81.2 -34.2 -3.5 18.3 3.1 101 94 A S H <5S+ 0 0 76 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.764 114.4 43.0 -71.8 -25.5 0.0 18.4 4.6 102 95 A S T <5S- 0 0 52 -4,-1.7 -1,-0.2 -39,-0.0 -2,-0.2 0.443 110.9-121.4 -97.9 -3.3 1.4 16.8 1.5 103 96 A G T 5S+ 0 0 40 -3,-0.4 -3,-0.2 2,-0.2 -4,-0.1 0.530 74.3 132.1 75.1 4.5 -0.7 18.9 -0.8 104 97 A S S - 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