==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 02-FEB-08 2K0F . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.GSPONER,J.CHRISTODOULOU,A.CAVALLI,J.M.BUI,B.RICHTER, . 161 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9495.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 68.3 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 3.1 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 . 1 0.6 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 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 50.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 1 0 4 1 0 1 0 0 1 0 0 0 0 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 . 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 1 A T >> 0 0 127 0, 0.0 4,-1.5 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0-159.1 3.1 4.8 17.6 2 2 A E H 3> + 0 0 154 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.637 360.0 66.8 -64.8 -20.2 3.1 1.0 18.2 3 3 A E H 3> S+ 0 0 130 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.856 106.5 42.8 -74.5 -38.2 -0.1 0.3 16.4 4 4 A Q H <> S+ 0 0 88 -3,-0.6 4,-2.0 2,-0.2 5,-0.2 0.830 110.7 57.7 -71.8 -41.2 1.6 1.3 13.1 5 5 A I H X S+ 0 0 69 -4,-1.5 4,-1.4 1,-0.2 3,-0.3 0.940 109.4 44.1 -54.5 -49.1 4.7 -0.6 14.2 6 6 A A H X S+ 0 0 26 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.835 112.7 52.7 -58.1 -40.4 2.6 -3.8 14.6 7 7 A E H X S+ 0 0 4 -4,-1.1 4,-1.2 1,-0.2 -1,-0.2 0.831 111.9 44.1 -75.9 -23.2 0.8 -3.1 11.3 8 8 A F H X S+ 0 0 15 -4,-2.0 4,-1.6 -3,-0.3 -1,-0.2 0.659 112.3 53.2 -89.4 -25.8 4.1 -2.7 9.4 9 9 A K H X S+ 0 0 106 -4,-1.4 4,-3.1 -5,-0.2 -2,-0.2 0.854 108.9 48.6 -71.6 -41.7 5.5 -5.7 11.1 10 10 A E H X S+ 0 0 80 -4,-2.6 4,-0.6 2,-0.2 -2,-0.2 0.941 112.9 49.4 -64.3 -41.5 2.6 -7.7 10.0 11 11 A A H X S+ 0 0 0 -4,-1.2 4,-1.0 -5,-0.2 3,-0.4 0.900 112.0 47.2 -58.3 -40.5 3.1 -6.3 6.6 12 12 A F H X S+ 0 0 11 -4,-1.6 4,-3.1 1,-0.2 3,-0.5 0.884 108.9 53.8 -63.8 -47.9 6.8 -7.2 6.7 13 13 A S H < S+ 0 0 74 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.579 100.1 64.3 -66.7 -12.3 6.0 -10.8 8.0 14 14 A L H < S+ 0 0 9 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.881 114.4 30.4 -76.6 -43.5 3.8 -11.0 4.9 15 15 A F H < S+ 0 0 8 -4,-1.0 2,-0.7 -3,-0.5 -2,-0.2 0.895 103.0 85.3 -61.2 -63.3 6.8 -10.7 2.8 16 16 A D < + 0 0 17 -4,-3.1 3,-0.1 1,-0.2 7,-0.1 -0.510 47.6 173.2 -63.9 103.2 9.3 -12.3 5.0 17 17 A K S S+ 0 0 106 -2,-0.7 2,-0.5 1,-0.2 -1,-0.2 0.957 76.3 39.4 -73.9 -61.9 9.2 -16.1 4.5 18 18 A D S > S- 0 0 87 4,-0.2 2,-1.9 1,-0.0 3,-0.5 -0.864 96.0-128.5 -92.3 122.3 12.2 -17.0 6.5 19 19 A G T 3 S+ 0 0 80 -2,-0.5 4,-0.1 1,-0.2 -6,-0.0 -0.426 71.1 113.0 -87.1 67.0 12.0 -14.8 9.6 20 20 A D T 3 S- 0 0 106 -2,-1.9 -1,-0.2 2,-0.3 3,-0.1 0.535 88.6-105.2 -99.9 -22.5 15.5 -13.1 9.9 21 21 A G S < S+ 0 0 25 -3,-0.5 40,-0.6 1,-0.2 2,-0.4 0.592 91.4 97.6 111.0 8.3 14.3 -9.6 9.2 22 22 A T E -A 60 0A 26 -4,-0.4 2,-0.6 38,-0.2 -2,-0.3 -0.981 61.4-148.4-133.8 118.1 15.6 -9.3 5.6 23 23 A I E -A 59 0A 2 36,-2.7 36,-1.9 -2,-0.4 2,-0.1 -0.828 22.3-159.3 -95.1 119.8 13.4 -9.9 2.6 24 24 A T > - 0 0 36 -2,-0.6 4,-2.3 34,-0.2 5,-0.2 -0.348 32.9-104.2 -82.3 163.7 15.5 -11.4 -0.2 25 25 A T H > S+ 0 0 29 32,-0.3 4,-2.6 1,-0.2 5,-0.1 0.844 121.1 58.3 -55.9 -31.1 14.9 -11.5 -3.9 26 26 A K H > S+ 0 0 157 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.891 108.2 42.7 -59.6 -48.6 14.0 -15.1 -3.5 27 27 A E H > S+ 0 0 4 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.957 114.6 52.2 -67.2 -47.4 11.3 -14.4 -1.0 28 28 A L H X S+ 0 0 15 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.855 110.5 46.5 -53.0 -49.1 10.1 -11.5 -3.1 29 29 A G H X S+ 0 0 2 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.911 107.8 56.8 -56.8 -45.9 9.9 -13.5 -6.2 30 30 A T H X S+ 0 0 51 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.754 108.4 50.5 -51.6 -40.8 8.1 -16.3 -4.3 31 31 A V H X S+ 0 0 1 -4,-1.7 4,-1.7 2,-0.2 3,-0.2 0.979 112.2 43.3 -58.8 -60.1 5.5 -13.7 -3.4 32 32 A M H >X S+ 0 0 13 -4,-2.3 4,-2.6 1,-0.2 3,-0.7 0.958 113.9 52.1 -49.5 -53.0 5.1 -12.5 -7.0 33 33 A R H 3< S+ 0 0 142 -4,-3.1 -1,-0.2 1,-0.3 -3,-0.2 0.821 107.2 53.8 -51.4 -38.0 5.0 -16.1 -8.2 34 34 A S H 3< S+ 0 0 45 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.867 109.7 47.1 -69.5 -38.8 2.3 -16.9 -5.7 35 35 A L H << S- 0 0 36 -4,-1.7 -2,-0.2 -3,-0.7 -3,-0.2 0.961 125.4 -92.8 -69.8 -53.2 0.2 -14.0 -7.0 36 36 A G S < S+ 0 0 53 -4,-2.6 2,-0.1 1,-0.6 -1,-0.0 -0.280 94.6 60.2-176.3 -76.1 0.6 -14.9 -10.7 37 37 A Q - 0 0 185 -2,-0.0 -1,-0.6 1,-0.0 -2,-0.2 -0.415 66.2-147.4 -80.8 147.4 3.2 -13.6 -12.9 38 38 A N - 0 0 75 -2,-0.1 -9,-0.1 -5,-0.1 -8,-0.1 -0.912 8.1-160.4-127.7 101.0 6.7 -14.3 -12.0 39 39 A P - 0 0 43 0, 0.0 2,-0.2 0, 0.0 -6,-0.1 -0.052 25.0-106.5 -63.4 172.2 9.7 -12.0 -12.6 40 40 A T >> - 0 0 70 1,-0.0 3,-0.9 0, 0.0 4,-0.8 -0.533 35.3 -95.8 -93.7 171.7 13.3 -13.0 -12.6 41 41 A E H >> S+ 0 0 134 1,-0.2 4,-2.0 2,-0.2 3,-0.7 0.827 119.7 56.2 -51.7 -44.6 15.9 -12.3 -10.0 42 42 A A H 3> S+ 0 0 60 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.693 108.1 49.4 -60.0 -37.8 17.3 -9.2 -11.7 43 43 A E H <> S+ 0 0 106 -3,-0.9 4,-0.6 2,-0.2 -1,-0.3 0.559 109.4 49.8 -83.8 -20.0 14.0 -7.6 -11.8 44 44 A L H X S+ 0 0 2 -4,-1.2 4,-1.6 1,-0.2 3,-1.1 0.968 110.9 51.8 -70.1 -53.7 15.1 -4.1 -3.7 49 49 A N H 3< S+ 0 0 76 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.1 0.528 98.7 67.1 -75.8 -6.6 18.2 -2.1 -4.4 50 50 A E H 3< S+ 0 0 153 -4,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.927 110.1 34.2 -68.4 -46.3 16.2 1.1 -5.0 51 51 A V H << S+ 0 0 33 -3,-1.1 -2,-0.2 -4,-0.6 -3,-0.1 0.826 90.3 123.9 -80.9 -29.9 15.1 1.2 -1.3 52 52 A D < + 0 0 26 -4,-1.6 7,-0.1 1,-0.1 -3,-0.0 0.081 31.9 175.6 -61.5 125.5 18.3 -0.2 0.1 53 53 A A S S+ 0 0 79 1,-0.0 -1,-0.1 2,-0.0 6,-0.1 0.677 77.3 38.3-100.9 -30.2 20.0 2.1 2.6 54 54 A D S S- 0 0 92 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.893 103.2-118.2 -78.2 -63.1 23.0 -0.0 3.7 55 55 A G S S+ 0 0 64 3,-0.2 -6,-0.0 0, 0.0 -2,-0.0 0.631 78.5 116.3 111.3 47.1 23.9 -1.5 0.4 56 56 A N S S- 0 0 92 2,-0.2 3,-0.1 0, 0.0 -7,-0.1 0.566 75.3-122.2-118.7 -22.4 23.5 -5.2 1.2 57 57 A G S S+ 0 0 18 1,-0.3 2,-0.4 -9,-0.1 -32,-0.3 0.714 78.4 95.8 85.5 19.6 20.7 -6.0 -1.2 58 58 A T S S- 0 0 26 -34,-0.1 2,-0.6 -10,-0.1 -1,-0.3 -0.997 77.1-117.0-130.2 145.4 18.0 -7.2 1.1 59 59 A I E -A 23 0A 11 -36,-1.9 -36,-2.7 -2,-0.4 2,-0.1 -0.692 35.3-161.6 -86.0 120.5 15.3 -5.0 2.3 60 60 A D E > -A 22 0A 36 -2,-0.6 4,-3.2 -38,-0.2 3,-0.5 -0.308 30.1 -95.1 -95.3 174.6 15.4 -4.6 6.1 61 61 A F H > S+ 0 0 51 -40,-0.6 4,-2.7 1,-0.3 5,-0.2 0.955 121.6 46.3 -70.7 -52.5 12.8 -3.4 8.6 62 62 A P H > S+ 0 0 90 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.616 116.2 50.7 -63.5 -11.2 13.7 0.2 9.0 63 63 A E H > S+ 0 0 14 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.901 110.4 46.4 -85.9 -43.5 13.9 0.3 5.2 64 64 A F H X S+ 0 0 2 -4,-3.2 4,-1.5 1,-0.2 5,-0.2 0.917 117.2 45.6 -47.5 -60.6 10.5 -1.3 4.8 65 65 A L H X S+ 0 0 39 -4,-2.7 4,-2.1 1,-0.2 5,-0.3 0.875 110.6 51.5 -56.9 -45.8 9.1 1.1 7.4 66 66 A T H X S+ 0 0 63 -4,-1.0 4,-0.9 -5,-0.2 -1,-0.2 0.859 110.7 50.6 -67.8 -25.9 10.8 4.3 5.9 67 67 A M H < S+ 0 0 20 -4,-2.1 -1,-0.2 -3,-0.2 -2,-0.2 0.893 120.6 31.2 -73.1 -37.2 9.5 3.5 2.4 68 68 A M H < S+ 0 0 25 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.838 117.0 51.8 -93.6 -25.0 5.9 3.0 3.5 69 69 A A H < S+ 0 0 62 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.1 0.814 104.1 55.8 -94.9 -28.4 5.4 5.4 6.4 70 70 A R S < S- 0 0 180 -4,-0.9 2,-0.1 -5,-0.3 0, 0.0 -0.330 93.5 -88.7 -95.1 176.2 6.8 8.6 4.9 71 71 A K - 0 0 198 1,-0.1 -1,-0.2 -2,-0.1 2,-0.1 -0.282 39.1-113.8 -89.1 168.5 5.6 10.3 1.8 72 72 A M - 0 0 51 2,-0.2 -1,-0.1 1,-0.1 -4,-0.0 -0.406 17.7-113.5 -86.4 175.2 6.8 9.8 -1.8 73 73 A K S S+ 0 0 184 -2,-0.1 -1,-0.1 3,-0.0 -2,-0.0 0.971 89.9 5.4 -63.1 -83.6 8.6 11.9 -4.4 74 74 A D S S- 0 0 98 1,-0.1 3,-0.3 2,-0.0 -2,-0.2 0.388 105.5 -61.0 -89.9-139.9 6.0 12.5 -7.1 75 75 A T S > S+ 0 0 119 1,-0.2 3,-2.1 2,-0.1 4,-0.4 0.251 86.3 122.1 -95.9 9.2 2.3 11.8 -7.5 76 76 A D T 3> + 0 0 54 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.496 51.9 82.0 -58.9 -13.6 2.8 8.0 -7.2 77 77 A S H 3> S+ 0 0 58 -3,-0.3 4,-0.9 1,-0.2 -1,-0.3 0.660 89.1 55.6 -59.0 -22.9 0.4 7.7 -4.3 78 78 A E H <> S+ 0 0 129 -3,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.843 108.0 49.2 -73.1 -39.7 -2.4 7.8 -6.8 79 79 A E H > S+ 0 0 81 -4,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.740 101.0 60.5 -79.2 -26.6 -0.8 4.8 -8.6 80 80 A E H X S+ 0 0 8 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.940 107.1 48.3 -62.8 -45.4 -0.3 2.7 -5.5 81 81 A I H X S+ 0 0 10 -4,-0.9 4,-3.2 1,-0.2 -2,-0.2 0.974 111.7 49.0 -57.6 -56.6 -4.1 2.8 -5.0 82 82 A R H X S+ 0 0 145 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.840 114.4 44.4 -38.3 -54.4 -4.7 1.8 -8.6 83 83 A E H X S+ 0 0 28 -4,-1.9 4,-0.7 2,-0.3 -1,-0.2 0.793 110.1 54.5 -78.6 -31.6 -2.3 -1.1 -8.5 84 84 A A H >X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 3,-1.1 0.974 111.5 47.7 -58.3 -41.9 -3.6 -2.2 -5.2 85 85 A F H 3X S+ 0 0 16 -4,-3.2 4,-2.7 1,-0.3 -2,-0.3 0.857 109.8 50.8 -63.5 -39.8 -7.0 -2.2 -6.9 86 86 A R H 3< S+ 0 0 176 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.621 107.4 53.7 -79.5 -4.0 -5.7 -4.1 -9.9 87 87 A V H << S+ 0 0 36 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.887 115.4 40.9 -87.9 -44.4 -4.1 -6.8 -7.7 88 88 A F H < S+ 0 0 0 -4,-2.2 2,-0.8 -5,-0.1 -2,-0.2 0.973 105.4 66.3 -66.0 -50.4 -7.5 -7.3 -5.9 89 89 A D < - 0 0 9 -4,-2.7 -1,-0.1 -5,-0.2 7,-0.1 -0.593 60.7-179.6 -84.6 104.9 -9.8 -7.1 -8.9 90 90 A K S S+ 0 0 116 -2,-0.8 -1,-0.2 1,-0.1 6,-0.1 0.808 80.5 43.3 -77.6 -30.8 -8.9 -10.1 -11.0 91 91 A D S S- 0 0 122 4,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.946 99.3-131.8 -76.4 -47.3 -11.3 -9.4 -13.8 92 92 A G + 0 0 64 3,-0.2 4,-0.1 -7,-0.1 -6,-0.1 0.859 66.3 125.2 83.6 55.2 -10.7 -5.7 -14.1 93 93 A N S S- 0 0 90 2,-0.3 3,-0.1 0, 0.0 -3,-0.0 0.565 83.7-100.9-109.3 -24.4 -14.3 -4.6 -14.0 94 94 A G S S+ 0 0 31 1,-0.2 2,-0.4 -9,-0.1 40,-0.4 0.509 90.3 92.5 123.3 4.4 -14.1 -2.2 -11.2 95 95 A Y - 0 0 92 38,-0.1 2,-0.5 39,-0.1 -2,-0.3 -0.997 57.9-147.6-144.7 126.4 -15.5 -4.3 -8.3 96 96 A I B -B 132 0B 0 36,-2.1 36,-2.2 -2,-0.4 -7,-0.1 -0.868 19.7-163.1 -97.5 132.3 -13.9 -6.5 -5.8 97 97 A S > - 0 0 28 -2,-0.5 4,-0.8 34,-0.2 34,-0.1 -0.160 35.6 -99.4 -90.4-175.3 -15.8 -9.6 -4.5 98 98 A A H > S+ 0 0 33 2,-0.2 4,-1.6 3,-0.1 33,-0.1 0.632 121.5 51.0 -79.2 -25.0 -15.4 -11.9 -1.6 99 99 A A H > S+ 0 0 43 2,-0.2 4,-2.5 3,-0.1 -1,-0.1 0.907 105.3 52.1 -82.9 -46.3 -13.7 -14.4 -3.7 100 100 A E H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.894 110.4 53.0 -52.5 -47.0 -11.0 -12.1 -5.1 101 101 A L H X S+ 0 0 0 -4,-0.8 4,-2.7 2,-0.2 5,-0.3 0.978 109.5 47.3 -42.1 -57.3 -10.4 -11.2 -1.5 102 102 A R H X S+ 0 0 96 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.864 109.7 54.0 -59.3 -41.0 -9.9 -14.7 -0.7 103 103 A H H X S+ 0 0 101 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.949 110.9 43.1 -57.3 -58.3 -7.7 -15.3 -3.7 104 104 A V H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 5,-0.3 0.940 114.5 50.8 -56.6 -49.1 -5.2 -12.5 -2.8 105 105 A M H X>S+ 0 0 0 -4,-2.7 5,-2.7 -5,-0.2 4,-2.3 0.912 109.5 50.7 -61.5 -32.7 -5.2 -13.4 0.8 106 106 A T H <5S+ 0 0 96 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.980 111.2 50.9 -50.4 -51.8 -4.5 -17.1 -0.2 107 107 A N H <5S+ 0 0 43 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.664 112.9 42.2 -62.7 -33.4 -1.7 -15.8 -2.3 108 108 A L H <5S- 0 0 8 -4,-1.9 -1,-0.2 -3,-0.1 -2,-0.2 0.817 124.2-102.3 -83.9 -35.0 -0.0 -13.8 0.3 109 109 A G T <5 + 0 0 53 -4,-2.3 2,-0.4 -5,-0.3 -3,-0.2 0.591 67.6 140.3 123.8 36.5 -0.6 -16.5 2.9 110 110 A E < - 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