==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 26-APR-13 2M7L . COMPND 2 MOLECULE: CALPONIN HOMOLOGY DOMAIN PROTEIN, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTAMOEBA HISTOLYTICA; . AUTHOR C.K.PERSSON,M.L.MAYZEL,B.G.KARLSSON,L.BACKMAN . 144 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8877.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 71.5 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 . 1 0.7 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 . 11 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.5 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 2 0 0 0 0 0 4 0 1 1 0 0 0 0 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 G 0 0 85 0, 0.0 3,-0.3 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 -57.4 -10.5 6.0 11.5 2 2 A S + 0 0 63 1,-0.3 2,-1.1 0, 0.0 72,-0.1 0.960 360.0 5.1 -75.1 -83.7 -9.4 2.4 11.4 3 3 A S S S- 0 0 47 70,-0.2 2,-0.6 2,-0.0 -1,-0.3 -0.800 85.5-167.2-103.0 89.6 -6.1 2.5 9.5 4 4 A S + 0 0 86 -2,-1.1 69,-0.0 -3,-0.3 0, 0.0 -0.712 46.8 90.8 -83.7 119.3 -5.7 6.1 9.1 5 5 A G + 0 0 58 -2,-0.6 2,-0.3 2,-0.0 -1,-0.1 0.204 39.4 152.0 154.8 70.0 -3.0 7.0 6.6 6 6 A V - 0 0 50 3,-0.0 2,-0.3 4,-0.0 -2,-0.0 -0.810 33.6-132.4-110.9 156.6 -4.0 7.5 3.1 7 7 A T > - 0 0 67 -2,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.707 20.9-113.0-110.7 166.7 -2.3 9.7 0.7 8 8 A A H > S+ 0 0 75 -2,-0.3 4,-0.6 1,-0.3 5,-0.1 0.848 115.9 57.8 -66.5 -37.2 -3.6 12.3 -1.8 9 9 A E H >> S+ 0 0 126 1,-0.2 4,-2.7 2,-0.2 3,-1.2 0.906 106.2 49.6 -58.1 -41.6 -2.6 10.2 -4.7 10 10 A Q H 3>>S+ 0 0 37 1,-0.3 4,-2.7 2,-0.2 5,-0.8 0.935 100.7 62.7 -67.6 -42.1 -4.7 7.4 -3.4 11 11 A M H 3<5S+ 0 0 77 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.663 112.2 39.4 -53.7 -19.2 -7.6 9.7 -3.0 12 12 A Q H X S+ 0 0 1 -4,-2.0 4,-3.4 -5,-0.1 3,-2.0 0.924 114.2 60.9 -79.3 -41.4 -14.5 2.9 -7.4 19 19 A D H 3< S+ 0 0 53 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.718 91.4 67.9 -54.3 -33.1 -15.6 5.5 -10.1 20 20 A A T 3< S+ 0 0 81 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.1 0.817 121.7 17.4 -56.9 -32.9 -15.1 2.9 -12.8 21 21 A F T <4 S+ 0 0 61 -3,-2.0 2,-0.4 -4,-0.3 -2,-0.2 0.800 119.1 66.9-102.5 -53.2 -18.0 1.0 -11.3 22 22 A D < - 0 0 5 -4,-3.4 3,-0.3 1,-0.1 -1,-0.1 -0.585 54.4-169.6 -83.2 126.1 -19.8 3.6 -9.2 23 23 A G S S+ 0 0 64 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.1 0.421 79.6 72.8 -94.3 2.7 -21.4 6.5 -10.9 24 24 A N S S- 0 0 112 4,-0.1 -1,-0.2 1,-0.1 5,-0.1 0.766 72.7-170.5 -87.3 -23.6 -22.2 8.5 -7.8 25 25 A H + 0 0 116 -3,-0.3 4,-0.1 1,-0.1 -6,-0.1 0.560 35.4 138.3 45.7 24.1 -18.4 9.3 -7.6 26 26 A D S S- 0 0 101 2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.724 81.6 -96.0 -69.8 -22.8 -19.1 10.8 -4.1 27 27 A G S S+ 0 0 7 1,-0.7 2,-0.3 -12,-0.1 -1,-0.1 0.216 106.5 75.2 112.8 -8.8 -16.0 9.3 -2.5 28 28 A I - 0 0 65 43,-0.1 -1,-0.7 47,-0.1 -2,-0.4 -0.848 69.5-144.7-125.5 163.5 -18.0 6.5 -1.2 29 29 A L B -A 70 0A 1 41,-2.5 41,-2.6 -2,-0.3 2,-0.1 -0.975 14.0-122.8-131.1 146.3 -19.4 3.4 -3.0 30 30 A D > - 0 0 74 -2,-0.3 4,-2.3 39,-0.2 5,-0.2 -0.391 29.4-109.5 -78.6 163.4 -22.6 1.4 -2.6 31 31 A K H > S+ 0 0 39 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.907 112.6 55.9 -60.7 -43.2 -22.7 -2.4 -1.8 32 32 A L H > S+ 0 0 128 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.943 114.3 35.0 -62.0 -54.0 -24.1 -3.3 -5.3 33 33 A E H > S+ 0 0 66 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.880 113.6 57.2 -72.4 -32.6 -21.4 -1.7 -7.4 34 34 A F H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.849 105.4 55.0 -65.2 -26.8 -18.6 -2.5 -4.9 35 35 A R H X S+ 0 0 38 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.942 107.3 48.0 -65.1 -43.3 -19.8 -6.0 -5.4 36 36 A S H X S+ 0 0 39 -4,-1.5 4,-3.1 2,-0.2 -2,-0.2 0.875 109.7 54.2 -68.0 -35.5 -19.3 -5.5 -9.2 37 37 A C H X S+ 0 0 3 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.973 111.8 42.4 -59.1 -55.4 -15.9 -4.1 -8.5 38 38 A L H <>S+ 0 0 1 -4,-2.5 5,-2.8 1,-0.2 6,-1.6 0.725 115.5 51.5 -68.6 -22.8 -14.8 -7.1 -6.5 39 39 A S H ><5S+ 0 0 29 -4,-1.8 3,-1.4 4,-0.2 -1,-0.2 0.936 111.9 43.9 -76.6 -45.9 -16.3 -9.4 -9.0 40 40 A S H 3<5S+ 0 0 94 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.710 108.7 60.2 -71.4 -20.4 -14.6 -7.8 -12.0 41 41 A M T 3<5S- 0 0 98 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.597 120.8-111.2 -79.7 -11.9 -11.4 -7.8 -9.9 42 42 A G T < 5S+ 0 0 67 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.805 89.5 103.7 85.6 32.2 -11.7 -11.5 -9.7 43 43 A L S S- 0 0 152 -3,-0.3 3,-1.3 1,-0.1 2,-0.9 -0.640 87.2-148.3 -77.6 98.9 -22.5 -20.5 -2.2 49 49 A T T 3 S+ 0 0 126 -2,-1.2 3,-0.1 1,-0.2 -2,-0.1 -0.612 81.0 46.3 -71.9 103.0 -25.7 -20.6 -4.2 50 50 A G T 3 S+ 0 0 75 -2,-0.9 2,-0.5 1,-0.5 -1,-0.2 -0.071 86.7 89.0 155.4 -37.6 -28.3 -19.9 -1.7 51 51 A G S < S- 0 0 23 -3,-1.3 2,-1.6 1,-0.1 -1,-0.5 -0.770 85.1-114.6 -91.8 129.6 -27.1 -16.9 0.3 52 52 A E S S- 0 0 169 -2,-0.5 5,-0.1 1,-0.3 -1,-0.1 -0.471 85.7 -43.2 -67.5 85.5 -28.0 -13.6 -1.1 53 53 A D S >> S+ 0 0 28 -2,-1.6 3,-2.4 -5,-0.2 4,-1.4 0.568 92.2 155.2 66.9 17.0 -24.5 -12.2 -2.1 54 54 A A H 3> + 0 0 45 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.648 59.5 66.6 -49.2 -28.4 -23.3 -13.6 1.3 55 55 A Q H 3> S+ 0 0 55 -4,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.887 107.5 40.5 -65.2 -35.4 -19.7 -14.0 0.1 56 56 A Y H X> S+ 0 0 2 -3,-2.4 4,-3.0 2,-0.2 3,-1.5 0.932 110.3 58.9 -73.4 -47.6 -19.5 -10.2 -0.1 57 57 A D H 3X S+ 0 0 59 -4,-1.4 4,-2.8 1,-0.3 -2,-0.2 0.830 99.7 56.9 -53.4 -36.9 -21.5 -9.8 3.1 58 58 A A H 3< S+ 0 0 64 -4,-2.2 -1,-0.3 1,-0.2 4,-0.2 0.816 115.7 37.7 -63.2 -30.0 -18.9 -11.8 5.0 59 59 A I H XX S+ 0 0 45 -3,-1.5 4,-2.1 -4,-0.6 3,-1.1 0.829 112.6 56.0 -88.0 -37.9 -16.3 -9.2 3.8 60 60 A Y H 3X S+ 0 0 31 -4,-3.0 4,-3.2 1,-0.3 -2,-0.2 0.912 98.7 64.3 -58.6 -43.7 -18.7 -6.2 4.1 61 61 A N H 3< S+ 0 0 116 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.770 107.8 41.2 -45.9 -34.9 -19.0 -7.3 7.7 62 62 A N H <4 S+ 0 0 111 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.2 0.840 115.0 48.6 -88.1 -39.2 -15.3 -6.5 8.0 63 63 A V H < S+ 0 0 4 -4,-2.1 2,-0.4 2,-0.1 -2,-0.2 0.909 108.2 57.2 -70.6 -42.0 -15.2 -3.3 6.0 64 64 A T < + 0 0 17 -4,-3.2 6,-0.1 1,-0.2 4,-0.0 -0.760 54.6 175.6 -91.0 134.1 -18.3 -1.7 7.7 65 65 A K S S- 0 0 113 -2,-0.4 -1,-0.2 3,-0.0 -2,-0.1 0.830 86.9 -26.5 -97.9 -55.3 -18.1 -1.2 11.5 66 66 A G S S+ 0 0 75 2,-0.0 2,-0.2 0, 0.0 -2,-0.1 0.011 119.7 93.2-146.8 27.9 -21.3 0.6 12.0 67 67 A E - 0 0 73 2,-0.1 2,-0.4 4,-0.0 -3,-0.1 -0.525 68.6-125.0-114.2-179.6 -21.7 2.2 8.7 68 68 A N S S+ 0 0 136 -2,-0.2 2,-0.1 -4,-0.0 -2,-0.0 -0.960 73.5 7.4-133.8 109.6 -23.5 1.3 5.5 69 69 A G S S- 0 0 6 -2,-0.4 2,-1.0 -39,-0.1 -39,-0.2 -0.282 94.3 -67.0 110.1 168.7 -21.5 1.3 2.4 70 70 A V B +A 29 0A 0 -41,-2.6 -41,-2.5 4,-0.1 2,-0.1 -0.808 64.9 166.2-101.3 98.8 -17.9 1.6 1.6 71 71 A S >> - 0 0 29 -2,-1.0 4,-3.1 -43,-0.3 5,-0.6 -0.237 54.4 -64.0 -99.2-169.7 -16.9 5.1 2.5 72 72 A F H >5S+ 0 0 108 2,-0.2 4,-0.6 1,-0.2 5,-0.1 0.811 135.7 30.3 -49.6 -41.4 -13.6 7.0 2.9 73 73 A D H >5S+ 0 0 37 3,-0.1 4,-3.0 2,-0.1 -1,-0.2 0.955 124.2 46.8 -80.1 -54.4 -12.6 4.9 6.0 74 74 A N H >5S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.891 116.2 39.9 -53.2 -59.0 -14.3 1.7 5.0 75 75 A Y H X5S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 5,-0.2 0.971 117.5 47.7 -61.3 -55.8 -13.2 1.4 1.4 76 76 A V H XX S+ 0 0 15 -4,-3.6 4,-3.8 2,-0.2 3,-0.7 0.887 109.2 57.0 -65.3 -38.2 -5.1 -0.4 1.8 81 81 A E H 3X S+ 0 0 69 -4,-2.8 4,-1.5 -5,-0.4 -1,-0.2 0.941 108.6 47.1 -52.2 -48.2 -5.3 -3.6 4.0 82 82 A K H 3< S+ 0 0 85 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.663 117.3 43.4 -71.8 -21.1 -4.9 -5.6 0.9 83 83 A N H X< S+ 0 0 92 -4,-1.0 3,-2.1 -3,-0.7 -2,-0.2 0.846 106.7 59.2 -85.9 -42.0 -2.0 -3.3 -0.1 84 84 A D H 3< S+ 0 0 99 -4,-3.8 -2,-0.2 1,-0.3 -3,-0.2 0.751 92.2 71.0 -59.2 -29.4 -0.3 -3.2 3.4 85 85 A E T 3< S+ 0 0 123 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.1 0.756 90.3 67.0 -59.4 -26.2 -0.0 -7.0 3.1 86 86 A N S < S- 0 0 128 -3,-2.1 -1,-0.1 -4,-0.1 -4,-0.0 -0.875 88.6-139.7-100.4 109.1 2.7 -6.4 0.5 87 87 A P - 0 0 84 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.211 9.6-150.7 -67.6 156.6 5.7 -4.8 2.1 88 88 A S > - 0 0 66 -4,-0.1 3,-0.5 0, 0.0 4,-0.1 -0.445 42.0 -88.2-110.5-178.2 7.7 -2.0 0.5 89 89 A P T >> S+ 0 0 55 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.217 93.5 116.3 -78.0 23.5 11.5 -1.3 1.1 90 90 A E H >> + 0 0 75 1,-0.3 3,-1.8 2,-0.2 4,-0.6 0.893 66.2 57.8 -60.0 -43.7 10.4 0.9 4.1 91 91 A Q H X> S+ 0 0 108 -3,-0.5 4,-2.0 1,-0.3 3,-0.8 0.780 92.2 69.7 -57.9 -28.2 12.1 -1.3 6.6 92 92 A L H <> S+ 0 0 28 -3,-1.2 4,-2.5 1,-0.3 -1,-0.3 0.799 89.4 63.7 -66.2 -23.0 15.4 -0.7 4.8 93 93 A N H X S+ 0 0 64 -4,-2.0 4,-2.4 1,-0.3 3,-1.4 0.884 104.5 54.1 -57.1 -40.7 18.3 -0.7 8.5 96 96 A F H 3X S+ 0 0 14 -4,-2.5 4,-1.3 1,-0.3 -1,-0.3 0.869 108.3 49.9 -64.5 -30.5 20.2 2.3 7.1 97 97 A S H << S+ 0 0 79 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.475 110.0 53.0 -85.9 -3.6 19.8 3.9 10.5 98 98 A T H <4 S+ 0 0 101 -3,-1.4 -2,-0.2 -4,-0.4 -1,-0.2 0.818 125.1 20.3 -90.9 -43.3 21.1 0.6 12.0 99 99 A I H < S+ 0 0 44 -4,-2.4 -3,-0.2 1,-0.1 -2,-0.2 0.944 130.0 40.0 -90.3 -61.2 24.3 0.4 9.9 100 100 A A S >< S+ 0 0 0 -4,-1.3 3,-2.6 -5,-0.3 -3,-0.2 0.231 84.2 154.0 -81.1 17.7 25.1 3.9 8.6 101 101 A A T 3 + 0 0 52 1,-0.3 3,-0.1 -6,-0.2 -4,-0.1 -0.221 68.9 6.5 -56.4 114.3 24.0 5.2 12.0 102 102 A G T 3 S+ 0 0 85 1,-0.4 -1,-0.3 -2,-0.1 2,-0.2 0.325 115.1 95.9 93.8 -7.4 25.7 8.6 12.7 103 103 A K < - 0 0 90 -3,-2.6 -1,-0.4 1,-0.1 3,-0.1 -0.581 62.1-152.4-108.2 168.8 27.1 8.7 9.2 104 104 A D S S+ 0 0 55 -2,-0.2 33,-1.4 -3,-0.1 34,-1.0 0.648 83.1 64.9-102.8 -33.7 26.0 10.4 6.0 105 105 A S E -B 136 0B 39 31,-0.2 2,-0.5 32,-0.1 31,-0.2 -0.730 62.4-165.3-101.1 132.8 27.7 8.0 3.8 106 106 A I E -B 135 0B 0 29,-2.0 29,-2.6 -2,-0.4 28,-0.6 -0.959 18.5-168.1-121.5 110.3 26.8 4.3 3.5 107 107 A T >> - 0 0 33 -2,-0.5 4,-2.3 27,-0.3 3,-0.9 -0.208 39.1 -92.2 -91.6 177.8 29.4 2.1 1.8 108 108 A E H 3>>S+ 0 0 65 1,-0.3 4,-2.3 2,-0.2 5,-0.7 0.946 128.6 52.8 -50.4 -50.3 29.6 -1.4 0.3 109 109 A T H 345S+ 0 0 82 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.643 104.6 55.7 -68.7 -17.6 30.9 -2.5 3.6 110 110 A D H <>5S+ 0 0 16 -3,-0.9 4,-0.6 3,-0.1 -1,-0.2 0.946 124.7 20.5 -72.1 -52.3 28.0 -0.9 5.3 111 111 A M H <>S+ 0 0 0 -4,-2.3 5,-1.9 2,-0.2 -2,-0.2 0.977 124.4 45.2 -85.0 -58.2 25.5 -2.9 3.3 112 112 A Q T ><5S+ 0 0 72 -4,-2.3 3,-1.3 1,-0.2 -3,-0.2 0.906 115.6 48.1 -56.1 -50.0 27.1 -6.1 1.7 113 113 A K T 34> - 0 0 57 -2,-0.6 4,-2.4 -3,-0.1 3,-1.5 -0.188 24.2 -88.6 -87.8 176.2 23.0 -8.6 -1.0 118 118 A A H 3> S+ 0 0 61 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.778 121.0 58.4 -54.2 -36.9 23.8 -7.4 -4.5 119 119 A E H 3> S+ 0 0 130 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.818 113.3 40.1 -65.7 -30.4 20.2 -7.1 -5.6 120 120 A Q H <> S+ 0 0 45 -3,-1.5 4,-3.1 2,-0.2 3,-0.5 0.926 110.7 58.6 -82.2 -45.3 19.6 -4.7 -2.8 121 121 A I H X S+ 0 0 12 -4,-2.4 4,-2.6 1,-0.3 -2,-0.2 0.883 106.9 46.6 -50.2 -51.4 22.9 -2.9 -3.2 122 122 A E H < S+ 0 0 102 -4,-2.4 4,-0.5 2,-0.2 -1,-0.3 0.834 114.6 48.3 -66.3 -29.5 22.1 -1.9 -6.8 123 123 A Y H >X S+ 0 0 115 -4,-0.7 4,-2.2 -3,-0.5 3,-1.2 0.974 111.7 48.1 -74.9 -50.5 18.6 -0.8 -5.8 124 124 A V H 3X S+ 0 0 4 -4,-3.1 4,-2.9 1,-0.3 -2,-0.2 0.900 114.4 46.2 -56.1 -44.4 19.8 1.3 -2.9 125 125 A K H 3< S+ 0 0 30 -4,-2.6 5,-0.3 -5,-0.3 -1,-0.3 0.576 109.2 56.0 -80.2 -8.6 22.5 3.0 -4.8 126 126 A A H <4 S+ 0 0 68 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.823 118.2 32.9 -85.4 -36.3 20.1 3.6 -7.7 127 127 A N H < S+ 0 0 99 -4,-2.2 -2,-0.2 1,-0.1 -3,-0.2 0.797 119.0 57.4 -86.0 -34.3 17.7 5.5 -5.5 128 128 A L S < S- 0 0 27 -4,-2.9 -1,-0.1 -5,-0.3 9,-0.1 -0.903 105.6 -94.8-103.8 125.6 20.3 6.9 -3.2 129 129 A P - 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