==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 19-JUL-06 2HQW . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR Z.AKYOL,L.GAKHAR,B.R.SORENSEN,J.H.HELL,M.A.SHEA . 160 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8588.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 69.4 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 . 6 3.8 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 . 9 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 50.6 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 0 2 0 2 3 0 0 1 0 1 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 . 0 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 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 3 A Q 0 0 231 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-106.4 19.0 -11.4 0.5 2 4 A L - 0 0 71 69,-0.0 2,-0.0 4,-0.0 69,-0.0 -0.759 360.0-162.5-164.3 101.7 22.9 -11.2 0.8 3 5 A T > - 0 0 56 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.241 35.8-113.0 -86.4 165.6 25.6 -8.6 0.1 4 6 A E H > S+ 0 0 152 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.819 120.3 57.8 -68.3 -28.2 29.3 -9.0 -0.4 5 7 A E H > S+ 0 0 116 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.882 107.7 46.9 -62.6 -40.7 29.8 -7.3 3.0 6 8 A Q H > S+ 0 0 38 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.874 110.4 50.3 -70.4 -40.2 27.7 -10.0 4.6 7 9 A I H X S+ 0 0 61 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.947 111.6 50.6 -61.8 -44.7 29.6 -12.8 2.8 8 10 A A H X S+ 0 0 57 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.898 111.2 48.4 -52.0 -45.9 32.8 -11.0 4.1 9 11 A E H X S+ 0 0 44 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.904 111.8 47.6 -68.2 -40.0 31.3 -11.0 7.6 10 12 A F H X S+ 0 0 9 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.835 107.4 58.0 -69.8 -31.1 30.3 -14.6 7.5 11 13 A K H X S+ 0 0 89 -4,-2.2 4,-1.1 -5,-0.2 -2,-0.2 0.938 110.0 42.8 -64.9 -44.6 33.7 -15.5 6.2 12 14 A E H X S+ 0 0 94 -4,-2.2 4,-0.9 2,-0.2 3,-0.4 0.924 111.1 55.4 -69.1 -36.5 35.4 -13.9 9.3 13 15 A A H >X S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.2 4,-0.6 0.936 104.1 55.0 -53.5 -49.7 32.7 -15.6 11.6 14 16 A F H >X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.3 3,-0.9 0.837 100.2 61.0 -49.3 -37.5 33.8 -19.0 10.0 15 17 A S H 3< S+ 0 0 47 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.782 94.3 62.5 -68.3 -23.2 37.4 -18.1 11.1 16 18 A L H << S+ 0 0 6 -3,-1.5 -1,-0.2 -4,-0.9 -2,-0.2 0.784 113.6 35.0 -65.6 -30.0 36.2 -18.0 14.7 17 19 A F H << S+ 0 0 5 -3,-0.9 2,-1.8 -4,-0.6 -2,-0.2 0.821 105.8 70.7 -91.1 -42.7 35.3 -21.7 14.4 18 20 A D >< + 0 0 9 -4,-3.1 3,-1.4 1,-0.2 -1,-0.2 -0.545 64.8 175.8 -79.6 81.2 38.1 -22.8 12.0 19 21 A K T 3 S+ 0 0 85 -2,-1.8 -1,-0.2 1,-0.3 6,-0.1 0.846 73.7 42.9 -59.1 -41.4 40.8 -22.5 14.7 20 22 A D T 3 S- 0 0 100 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.341 101.5-126.6 -94.9 10.0 43.7 -23.8 12.5 21 23 A G < + 0 0 60 -3,-1.4 -2,-0.1 -6,-0.2 4,-0.1 0.686 68.8 132.6 54.6 21.6 42.8 -21.8 9.4 22 24 A D S S- 0 0 91 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.429 78.5-108.0 -82.9 1.8 42.8 -25.0 7.3 23 25 A G S S+ 0 0 31 1,-0.2 40,-0.5 -5,-0.1 2,-0.3 0.404 88.7 80.0 90.9 -1.5 39.5 -24.1 5.8 24 26 A T E -A 62 0A 33 38,-0.1 2,-0.6 39,-0.1 -2,-0.3 -0.937 69.4-131.1-132.7 156.6 37.2 -26.7 7.5 25 27 A I E -A 61 0A 4 36,-2.4 36,-2.2 -2,-0.3 2,-0.2 -0.952 27.8-163.2-105.7 122.5 35.5 -26.9 10.9 26 28 A T > - 0 0 30 -2,-0.6 4,-2.5 -9,-0.2 5,-0.2 -0.482 35.7-105.0 -96.0 169.6 36.0 -30.3 12.6 27 29 A T H > S+ 0 0 37 32,-0.3 4,-2.1 2,-0.2 5,-0.1 0.886 123.4 55.6 -58.9 -36.3 34.1 -31.8 15.5 28 30 A K H > S+ 0 0 159 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.934 108.1 46.3 -66.4 -45.7 37.1 -30.9 17.7 29 31 A E H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.911 112.2 50.4 -60.2 -44.2 37.0 -27.2 16.7 30 32 A L H X S+ 0 0 8 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.878 109.0 52.8 -60.6 -38.6 33.2 -27.0 17.2 31 33 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.925 107.8 50.6 -63.4 -48.5 33.7 -28.6 20.7 32 34 A T H X S+ 0 0 64 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.906 112.9 46.3 -51.2 -48.7 36.3 -26.0 21.6 33 35 A V H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.926 112.0 50.4 -61.4 -49.2 33.9 -23.2 20.5 34 36 A M H ><>S+ 0 0 0 -4,-2.9 5,-2.5 1,-0.2 3,-0.6 0.901 110.4 48.1 -62.5 -42.7 31.0 -24.6 22.3 35 37 A R H ><5S+ 0 0 120 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.865 105.8 59.3 -65.7 -33.6 32.9 -25.0 25.6 36 38 A S H 3<5S+ 0 0 30 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.776 105.9 49.4 -64.7 -22.4 34.1 -21.4 25.3 37 39 A L T <<5S- 0 0 4 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.034 129.7 -97.4-102.1 19.3 30.4 -20.4 25.3 38 40 A G T < 5S+ 0 0 64 -3,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.618 83.9 122.5 81.0 15.6 29.7 -22.5 28.4 39 41 A Q < - 0 0 31 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.616 46.7-154.6-103.4 170.2 28.3 -25.6 26.8 40 42 A N + 0 0 121 -2,-0.2 -9,-0.1 -5,-0.0 -5,-0.0 -0.354 16.9 178.1-143.8 64.4 29.4 -29.3 26.9 41 43 A P - 0 0 10 0, 0.0 -6,-0.1 0, 0.0 2,-0.0 -0.312 28.1-122.5 -62.6 143.8 28.3 -31.3 23.9 42 44 A T > - 0 0 64 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.268 31.2-100.2 -71.7 171.9 29.4 -35.0 23.8 43 45 A E H > S+ 0 0 140 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.894 126.0 49.0 -58.5 -41.2 31.5 -36.4 20.9 44 46 A A H > S+ 0 0 40 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.829 109.4 52.1 -73.0 -34.1 28.3 -37.8 19.3 45 47 A E H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.889 108.8 50.7 -64.9 -42.7 26.4 -34.5 19.7 46 48 A L H X S+ 0 0 12 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.873 109.6 50.0 -63.7 -35.3 29.2 -32.6 18.0 47 49 A Q H X S+ 0 0 104 -4,-1.5 4,-2.9 2,-0.2 -1,-0.2 0.879 109.0 52.9 -72.3 -36.5 29.1 -35.1 15.2 48 50 A D H X S+ 0 0 45 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.929 109.0 48.7 -59.4 -46.3 25.4 -34.6 15.0 49 51 A M H X S+ 0 0 5 -4,-2.5 4,-1.0 1,-0.2 3,-0.2 0.920 114.7 45.7 -62.5 -43.3 25.8 -30.8 14.7 50 52 A I H >X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 3,-0.8 0.937 109.1 54.3 -62.6 -49.1 28.5 -31.3 12.0 51 53 A N H 3< S+ 0 0 96 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.736 103.2 58.2 -63.4 -24.8 26.4 -33.9 10.0 52 54 A E H 3< S+ 0 0 125 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.853 117.2 30.9 -71.7 -36.5 23.4 -31.5 9.8 53 55 A V H << S+ 0 0 19 -4,-1.0 2,-1.3 -3,-0.8 -2,-0.2 0.594 95.3 101.7 -94.7 -16.5 25.4 -28.7 8.1 54 56 A D < + 0 0 15 -4,-2.0 3,-0.4 1,-0.2 7,-0.1 -0.580 45.2 175.2 -75.3 91.4 27.8 -31.1 6.2 55 57 A A S S+ 0 0 92 -2,-1.3 -1,-0.2 1,-0.2 6,-0.1 0.882 77.5 41.5 -67.8 -43.4 26.2 -31.1 2.8 56 58 A D S S- 0 0 97 4,-0.2 -1,-0.2 1,-0.0 -2,-0.1 0.476 102.7-128.2 -85.8 -2.8 28.9 -33.3 1.1 57 59 A G + 0 0 61 -3,-0.4 -2,-0.1 3,-0.1 4,-0.1 0.717 65.1 133.9 67.2 24.8 29.2 -35.7 4.0 58 60 A N S S- 0 0 90 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.461 77.4-106.4 -89.7 1.8 33.0 -35.5 4.3 59 61 A G S S+ 0 0 37 1,-0.2 -32,-0.3 -9,-0.1 2,-0.3 0.305 91.7 69.9 93.4 -7.5 33.0 -35.1 8.0 60 62 A T S S- 0 0 27 -34,-0.1 2,-0.5 -10,-0.1 -2,-0.3 -0.929 76.5-116.3-138.9 162.9 33.8 -31.4 8.2 61 63 A I E -A 25 0A 7 -36,-2.2 -36,-2.4 -2,-0.3 2,-0.2 -0.892 27.1-168.0-105.5 124.5 32.2 -28.1 7.4 62 64 A D E > -A 24 0A 43 -2,-0.5 4,-2.5 -38,-0.2 5,-0.2 -0.463 40.8 -93.3-100.5 175.6 33.7 -25.8 4.8 63 65 A F H > S+ 0 0 37 -40,-0.5 4,-3.5 1,-0.2 5,-0.2 0.907 123.2 53.5 -64.5 -43.4 32.8 -22.3 4.1 64 66 A P H > S+ 0 0 81 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.897 112.3 46.5 -54.8 -38.8 30.1 -23.0 1.4 65 67 A E H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.914 114.7 47.6 -65.5 -43.3 28.4 -25.3 3.9 66 68 A F H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.903 112.0 49.1 -61.7 -44.6 28.7 -22.7 6.7 67 69 A L H X S+ 0 0 37 -4,-3.5 4,-1.9 2,-0.2 -2,-0.2 0.896 110.1 51.7 -64.7 -42.4 27.4 -19.9 4.4 68 70 A T H < S+ 0 0 101 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.921 108.2 51.2 -56.9 -51.1 24.4 -22.1 3.4 69 71 A M H < S+ 0 0 59 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.937 110.2 49.8 -50.7 -50.5 23.6 -22.8 7.0 70 72 A M H < S+ 0 0 17 -4,-2.2 2,-0.6 2,-0.2 -1,-0.2 0.795 87.2 89.4 -66.4 -29.5 23.7 -19.1 7.7 71 73 A A < 0 0 58 -4,-1.9 -69,-0.0 1,-0.2 0, 0.0 -0.662 360.0 360.0 -66.7 115.6 21.4 -18.4 4.7 72 74 A R 0 0 267 -2,-0.6 -1,-0.2 67,-0.0 -2,-0.2 -0.858 360.0 360.0 116.9 360.0 18.3 -18.8 6.8 73 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 74 81 A S > 0 0 110 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-166.3 11.9 -21.6 19.2 75 82 A E H > + 0 0 92 1,-0.2 4,-2.5 2,-0.1 5,-0.2 0.986 360.0 45.2 -57.9 -57.0 11.4 -20.0 22.6 76 83 A E H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.800 110.2 49.0 -69.5 -35.4 13.9 -22.1 24.5 77 84 A E H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.921 114.6 45.8 -68.6 -42.9 16.9 -22.1 22.1 78 85 A I H X S+ 0 0 31 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.911 114.3 48.5 -66.0 -43.4 16.9 -18.3 21.7 79 86 A R H X S+ 0 0 93 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.893 111.0 51.2 -59.0 -43.6 16.5 -17.8 25.4 80 87 A E H X S+ 0 0 53 -4,-2.1 4,-0.8 -5,-0.2 -2,-0.2 0.895 112.7 45.6 -59.7 -42.5 19.3 -20.2 26.0 81 88 A A H >X S+ 0 0 1 -4,-2.2 4,-1.1 2,-0.2 3,-0.5 0.878 107.8 56.9 -68.1 -39.9 21.5 -18.3 23.6 82 89 A F H >X S+ 0 0 3 -4,-2.9 4,-2.7 1,-0.2 3,-0.6 0.904 103.8 54.3 -56.4 -42.0 20.5 -15.0 25.1 83 90 A R H 3< S+ 0 0 155 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.741 97.9 64.4 -66.8 -25.9 21.8 -16.2 28.5 84 91 A V H << S+ 0 0 8 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.914 114.1 31.7 -61.0 -43.4 25.1 -17.0 27.0 85 92 A F H << S+ 0 0 0 -4,-1.1 2,-2.6 -3,-0.6 9,-0.2 0.826 104.4 72.7 -81.4 -40.3 25.7 -13.3 26.3 86 93 A D >< + 0 0 11 -4,-2.7 3,-2.1 1,-0.2 -1,-0.2 -0.447 65.6 174.4 -79.9 72.1 23.8 -11.8 29.2 87 94 A K T 3 S+ 0 0 106 -2,-2.6 -1,-0.2 1,-0.3 6,-0.1 0.794 72.5 43.4 -56.7 -36.2 26.5 -12.8 31.6 88 95 A D T 3 S- 0 0 104 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.423 103.3-126.6 -91.6 2.4 25.1 -11.1 34.6 89 96 A G < + 0 0 59 -3,-2.1 -2,-0.1 -6,-0.2 4,-0.1 0.602 68.3 130.1 68.9 17.0 21.5 -12.1 34.0 90 97 A N S S- 0 0 84 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.487 79.0-108.6 -88.6 0.8 20.1 -8.6 34.2 91 98 A G S S+ 0 0 29 -5,-0.2 40,-0.5 1,-0.1 2,-0.4 0.466 90.3 89.8 93.1 -1.5 18.1 -8.9 30.9 92 99 A Y E -B 130 0B 88 38,-0.2 2,-0.6 39,-0.1 -2,-0.3 -0.993 66.6-140.6-132.1 127.9 20.3 -6.6 28.9 93 100 A I E -B 129 0B 0 36,-3.3 36,-2.5 -2,-0.4 2,-0.2 -0.786 27.1-161.2 -83.8 121.9 23.4 -7.5 26.8 94 101 A S > - 0 0 28 -2,-0.6 4,-1.9 -9,-0.2 5,-0.2 -0.578 32.1-107.9 -93.4 162.0 25.9 -4.8 27.2 95 102 A A H > S+ 0 0 17 32,-0.4 4,-2.9 -2,-0.2 5,-0.1 0.884 121.2 53.0 -51.1 -42.5 28.9 -4.0 24.9 96 103 A A H > S+ 0 0 29 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.867 106.3 51.8 -67.7 -34.2 31.2 -5.3 27.7 97 104 A E H > S+ 0 0 13 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.913 112.8 45.3 -67.4 -38.8 29.3 -8.6 27.9 98 105 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.932 109.3 55.5 -69.7 -45.1 29.6 -9.0 24.1 99 106 A R H X S+ 0 0 78 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.943 108.2 50.3 -42.3 -54.6 33.3 -8.0 24.3 100 107 A H H X S+ 0 0 105 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.878 110.0 48.5 -58.9 -39.0 33.8 -10.8 26.8 101 108 A V H X S+ 0 0 2 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.944 112.2 48.7 -67.5 -48.1 32.1 -13.4 24.6 102 109 A M H <>S+ 0 0 1 -4,-2.8 5,-0.8 1,-0.2 3,-0.3 0.879 109.7 52.2 -61.8 -38.0 34.1 -12.4 21.5 103 110 A T H ><5S+ 0 0 84 -4,-2.5 3,-1.1 -5,-0.2 -1,-0.2 0.825 105.6 55.0 -65.9 -34.8 37.4 -12.6 23.5 104 111 A N H 3<5S+ 0 0 98 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.767 102.9 56.9 -67.1 -26.9 36.5 -16.1 24.7 105 112 A L T 3<5S- 0 0 2 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.316 129.2 -98.5 -85.3 7.2 36.1 -17.1 21.0 106 113 A G T < 5S+ 0 0 58 -3,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.948 83.1 129.8 75.9 52.9 39.7 -15.9 20.4 107 114 A E < - 0 0 27 -5,-0.8 2,-0.8 -8,-0.1 -2,-0.2 -0.789 41.7-162.9-149.0 100.5 38.8 -12.5 19.0 108 115 A K - 0 0 188 -2,-0.3 2,-0.4 -5,-0.1 -9,-0.0 -0.720 23.5-178.1 -83.5 107.6 40.3 -9.2 20.2 109 116 A L - 0 0 29 -2,-0.8 -6,-0.1 -10,-0.1 -2,-0.1 -0.884 28.8-111.4-115.7 142.8 38.1 -6.4 18.9 110 117 A T > - 0 0 83 -2,-0.4 4,-1.6 1,-0.1 3,-0.2 -0.204 34.5-111.4 -60.5 155.8 38.3 -2.7 19.2 111 118 A D H > S+ 0 0 99 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.782 119.1 58.1 -62.7 -24.6 35.7 -1.0 21.4 112 119 A E H > S+ 0 0 125 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 101.4 51.3 -71.6 -43.0 34.3 0.4 18.2 113 120 A E H > S+ 0 0 69 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.916 112.3 47.9 -59.9 -45.2 33.6 -2.9 16.4 114 121 A V H X S+ 0 0 1 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.908 107.9 54.0 -59.4 -50.2 31.8 -4.2 19.5 115 122 A D H X S+ 0 0 61 -4,-1.8 4,-3.1 1,-0.2 -1,-0.2 0.870 106.8 52.7 -56.7 -38.7 29.7 -1.0 19.7 116 123 A E H X S+ 0 0 56 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.881 107.7 51.0 -65.2 -36.7 28.6 -1.5 16.1 117 124 A M H X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.943 115.1 42.6 -62.6 -49.7 27.5 -5.0 16.8 118 125 A I H X S+ 0 0 6 -4,-2.5 4,-2.3 1,-0.2 3,-0.5 0.940 113.8 52.6 -58.0 -47.3 25.5 -3.7 19.7 119 126 A R H < S+ 0 0 125 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.902 107.4 51.0 -59.1 -44.1 24.2 -0.8 17.7 120 127 A E H < S+ 0 0 85 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.780 115.9 41.1 -64.2 -31.1 23.0 -3.0 14.8 121 128 A A H < S+ 0 0 2 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.728 94.7 97.2 -83.4 -31.2 21.0 -5.2 17.2 122 129 A D < + 0 0 28 -4,-2.3 7,-0.1 -5,-0.2 -4,-0.0 -0.430 41.9 170.2 -65.6 131.2 19.7 -2.3 19.3 123 130 A I S S+ 0 0 101 5,-0.3 -1,-0.1 -2,-0.2 6,-0.1 0.765 74.2 43.8-110.5 -47.8 16.2 -1.2 18.3 124 131 A D S S- 0 0 95 4,-0.2 -2,-0.1 1,-0.1 5,-0.1 0.623 103.3-122.2 -80.7 -12.0 15.0 1.2 21.1 125 132 A G S S+ 0 0 60 3,-0.2 -1,-0.1 -6,-0.1 -3,-0.0 0.593 73.2 127.2 86.3 9.6 18.4 3.1 21.3 126 133 A D S S- 0 0 79 2,-0.2 3,-0.1 1,-0.0 -1,-0.0 0.498 80.1-113.3 -73.7 -6.3 19.3 2.5 25.0 127 134 A G S S+ 0 0 40 1,-0.3 -32,-0.4 -9,-0.1 2,-0.3 0.567 86.9 82.9 87.3 5.5 22.7 1.1 23.9 128 135 A Q S S- 0 0 59 -34,-0.1 2,-0.6 -10,-0.1 -1,-0.3 -0.863 76.9-116.9-132.7 168.6 22.0 -2.5 25.0 129 136 A V E -B 93 0B 0 -36,-2.5 -36,-3.3 -2,-0.3 2,-0.1 -0.945 28.3-167.7-113.6 116.7 20.3 -5.5 23.6 130 137 A N E > -B 92 0B 34 -2,-0.6 4,-2.3 -38,-0.2 -38,-0.2 -0.303 39.7 -93.4 -90.2 178.2 17.3 -6.8 25.5 131 138 A Y H > S+ 0 0 38 -40,-0.5 4,-2.8 1,-0.2 5,-0.2 0.931 123.7 50.9 -64.6 -47.8 15.6 -10.2 24.9 132 139 A E H > S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.913 111.6 48.5 -57.1 -42.7 13.0 -8.9 22.4 133 140 A E H > S+ 0 0 6 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.897 111.5 50.6 -61.2 -41.2 15.7 -7.2 20.4 134 141 A F H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.930 107.4 53.1 -62.5 -45.0 17.7 -10.4 20.4 135 142 A V H X S+ 0 0 26 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.907 110.4 48.7 -54.9 -43.7 14.7 -12.5 19.2 136 143 A Q H < S+ 0 0 103 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.869 102.7 60.0 -67.7 -40.0 14.3 -10.1 16.3 137 144 A M H < S+ 0 0 1 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.918 110.1 43.5 -53.1 -44.9 17.9 -10.2 15.3 138 145 A M H < 0 0 37 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.981 360.0 360.0 -65.7 -57.6 17.6 -14.0 14.7 139 146 A T < 0 0 144 -4,-2.0 -67,-0.0 0, 0.0 -4,-0.0 -0.208 360.0 360.0 -52.5 360.0 14.3 -14.1 12.9 140 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 141 875 B K 0 0 32 0, 0.0 2,-0.2 0, 0.0 -132,-0.0 0.000 360.0 360.0 360.0-159.3 31.3 -5.9 12.7 142 876 B K >> - 0 0 36 -136,-0.1 4,-1.2 -23,-0.1 3,-0.7 -0.802 360.0 -37.2-157.5-148.1 27.5 -6.4 12.7 143 877 B K H 3> S+ 0 0 50 -2,-0.2 4,-3.9 1,-0.2 5,-0.2 0.683 114.6 73.7 -58.7 -26.0 24.7 -9.0 12.9 144 878 B A H 3> S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.918 103.1 38.6 -60.3 -47.6 26.5 -11.7 10.8 145 879 B T H <> S+ 0 0 0 -3,-0.7 4,-2.1 2,-0.2 5,-0.2 0.925 119.3 48.5 -61.0 -51.0 29.0 -12.6 13.7 146 880 B F H X S+ 0 0 0 -4,-1.2 4,-2.2 1,-0.2 -2,-0.2 0.937 115.3 44.6 -55.7 -50.1 26.3 -12.2 16.3 147 881 B R H X S+ 0 0 61 -4,-3.9 4,-3.2 1,-0.2 -1,-0.2 0.869 109.3 56.2 -63.6 -41.9 23.9 -14.4 14.3 148 882 B A H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.883 111.6 42.5 -56.9 -45.4 26.7 -17.0 13.5 149 883 B I H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.912 116.3 49.2 -69.0 -46.2 27.4 -17.6 17.3 150 884 B T H X S+ 0 0 6 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.920 109.8 50.3 -58.6 -45.4 23.7 -17.6 18.1 151 885 B S H X S+ 0 0 45 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.888 109.5 50.8 -65.7 -37.5 22.8 -20.1 15.3 152 886 B T H X S+ 0 0 9 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.880 109.2 51.7 -66.6 -37.6 25.5 -22.5 16.4 153 887 B L H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.972 107.5 52.0 -60.8 -53.7 24.2 -22.3 20.0 154 888 B A H X S+ 0 0 20 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.878 106.0 56.0 -42.0 -49.6 20.7 -23.1 18.7 155 889 B S H X S+ 0 0 16 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.932 103.9 54.1 -50.1 -54.6 22.2 -26.1 17.0 156 890 B S H >< S+ 0 0 4 -4,-2.0 3,-1.1 1,-0.2 4,-0.4 0.925 113.6 40.7 -41.3 -58.3 23.6 -27.4 20.3 157 891 B F H >< S+ 0 0 23 -4,-1.8 3,-0.8 1,-0.3 -1,-0.2 0.855 113.1 52.7 -72.2 -36.6 20.2 -27.3 22.0 158 892 B K H 3< S+ 0 0 133 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.573 113.4 46.6 -70.5 -9.9 18.3 -28.7 19.0 159 893 B R T << S+ 0 0 91 -3,-1.1 -1,-0.2 -4,-1.0 -2,-0.2 0.378 80.2 126.0-119.1 6.1 20.7 -31.6 18.8 160 894 B R < - 0 0 104 -3,-0.8 2,-0.3 -4,-0.4 -3,-0.0 -0.170 45.2-141.4 -71.3 158.9 21.0 -32.9 22.4 161 895 B R 0 0 197 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.915 360.0 360.0-125.1 149.7 20.4 -36.5 23.6 162 896 B S 0 0 157 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.088 360.0 360.0 28.6 360.0 18.7 -38.1 26.7