==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 29-JUN-99 1QTX . COMPND 2 MOLECULE: PROTEIN (CALMODULIN); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.WEIGAND,W.F.ANDERSON . 168 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9039.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 68.5 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 . 6 3.6 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 . 11 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 48.8 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 1 1 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 1 A A 0 0 134 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-134.4 1.0 26.1 -13.2 2 2 A D - 0 0 109 73,-0.0 2,-0.4 2,-0.0 71,-0.1 -0.954 360.0-131.1-176.2 170.4 3.2 24.0 -10.9 3 3 A Q - 0 0 172 -2,-0.3 2,-0.3 70,-0.1 0, 0.0 -0.973 15.5-152.2-143.2 125.3 3.9 20.3 -9.9 4 4 A L - 0 0 37 -2,-0.4 2,-0.1 4,-0.0 69,-0.0 -0.747 15.1-128.0-102.0 145.5 4.1 18.9 -6.4 5 5 A T > - 0 0 73 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.433 28.7-110.6 -81.1 162.3 6.2 15.9 -5.3 6 6 A D H > S+ 0 0 138 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.863 120.5 55.2 -61.4 -34.0 4.5 13.1 -3.4 7 7 A E H > S+ 0 0 70 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.923 106.9 48.1 -64.3 -46.0 6.5 14.2 -0.4 8 8 A Q H > S+ 0 0 58 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.917 111.1 51.9 -60.7 -42.4 5.2 17.7 -0.5 9 9 A I H X S+ 0 0 50 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.910 109.0 49.3 -61.3 -42.8 1.7 16.4 -0.9 10 10 A A H X S+ 0 0 34 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.871 110.4 51.7 -64.3 -38.1 2.0 14.2 2.2 11 11 A E H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.921 109.8 48.3 -64.7 -43.2 3.4 17.2 4.1 12 12 A F H X S+ 0 0 6 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.793 105.3 59.6 -68.3 -25.5 0.5 19.3 3.1 13 13 A K H X S+ 0 0 104 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.904 106.7 47.5 -67.9 -40.8 -1.9 16.5 4.1 14 14 A E H X S+ 0 0 59 -4,-1.7 4,-0.7 2,-0.2 3,-0.3 0.942 111.4 49.9 -65.3 -44.5 -0.5 16.7 7.7 15 15 A A H >X S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 4,-0.6 0.907 105.5 58.4 -58.4 -41.6 -0.8 20.5 7.7 16 16 A F H >X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.3 3,-1.7 0.899 97.1 61.8 -54.7 -42.8 -4.4 20.2 6.5 17 17 A S H 3< S+ 0 0 51 -4,-1.6 -1,-0.3 1,-0.3 6,-0.2 0.752 93.1 63.5 -59.3 -25.9 -5.2 18.1 9.6 18 18 A L H << S+ 0 0 7 -3,-1.3 -1,-0.3 -4,-0.7 3,-0.2 0.782 112.5 36.1 -70.0 -25.1 -4.4 21.0 11.9 19 19 A F H << S+ 0 0 3 -3,-1.7 2,-2.1 -4,-0.6 -2,-0.2 0.874 113.0 58.4 -88.7 -48.0 -7.3 22.9 10.3 20 20 A D >< + 0 0 11 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 -0.465 66.5 161.4 -83.1 69.0 -9.6 19.9 9.9 21 21 A K T 3 S+ 0 0 102 -2,-2.1 -1,-0.2 1,-0.3 -4,-0.1 0.741 71.6 51.1 -64.6 -26.2 -9.6 19.1 13.6 22 22 A D T 3 S- 0 0 106 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.493 104.4-132.3 -89.9 -1.3 -12.7 16.9 13.5 23 23 A G < + 0 0 57 -3,-1.4 -2,-0.1 -6,-0.2 4,-0.1 0.771 62.1 136.1 59.6 32.2 -11.2 14.9 10.6 24 24 A D S S- 0 0 91 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.437 77.4-105.7 -88.9 1.9 -14.3 15.1 8.3 25 25 A G S S+ 0 0 32 1,-0.2 40,-0.6 -5,-0.2 2,-0.3 0.515 89.7 81.9 90.1 5.1 -12.2 15.9 5.3 26 26 A T E -A 64 0A 26 38,-0.2 2,-0.6 39,-0.1 -2,-0.3 -0.971 67.6-133.4-141.8 156.9 -13.1 19.6 5.0 27 27 A I E -A 63 0A 3 36,-2.2 36,-2.2 -2,-0.3 2,-0.1 -0.953 26.8-163.4-111.4 117.7 -12.1 22.9 6.5 28 28 A T > - 0 0 38 -2,-0.6 4,-2.3 34,-0.2 5,-0.2 -0.448 35.8-105.4 -92.6 170.3 -15.1 25.1 7.5 29 29 A T H > S+ 0 0 30 32,-0.2 4,-2.7 1,-0.2 5,-0.2 0.877 123.2 55.6 -62.3 -35.5 -15.0 28.8 8.2 30 30 A K H > S+ 0 0 152 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.916 108.6 46.1 -62.6 -44.2 -15.3 27.9 11.9 31 31 A E H > S+ 0 0 19 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.891 114.3 46.7 -68.2 -39.6 -12.2 25.7 11.8 32 32 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.915 113.5 49.9 -67.7 -40.5 -10.2 28.2 9.9 33 33 A G H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.908 107.7 54.3 -63.7 -41.3 -11.3 30.9 12.3 34 34 A T H X S+ 0 0 61 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.915 110.4 44.8 -59.8 -46.5 -10.4 28.8 15.3 35 35 A V H X S+ 0 0 5 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.964 113.9 48.9 -64.8 -49.7 -6.8 28.3 14.1 36 36 A M H <>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 3,-0.2 0.882 112.0 48.6 -58.0 -41.0 -6.3 31.9 13.2 37 37 A R H ><5S+ 0 0 107 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.886 107.1 55.6 -67.7 -36.1 -7.6 33.2 16.5 38 38 A S H 3<5S+ 0 0 47 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.789 106.7 52.5 -65.4 -25.6 -5.4 30.7 18.4 39 39 A L T 3<5S- 0 0 38 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.343 129.9 -96.8 -89.7 3.5 -2.5 32.3 16.5 40 40 A G T < 5S+ 0 0 70 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.443 84.0 124.3 98.5 -1.4 -3.5 35.7 17.6 41 41 A Q < - 0 0 86 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.0 -0.337 47.0-152.4 -87.4 172.4 -5.4 36.9 14.5 42 42 A N + 0 0 137 -2,-0.1 -9,-0.1 2,-0.0 -5,-0.0 -0.377 18.5 178.2-145.2 62.8 -9.0 38.1 14.4 43 43 A P - 0 0 7 0, 0.0 2,-0.1 0, 0.0 -6,-0.0 -0.315 25.1-128.3 -70.2 147.0 -10.7 37.4 11.0 44 44 A T > - 0 0 74 1,-0.1 4,-2.6 -2,-0.0 5,-0.2 -0.472 25.4-107.0 -88.0 166.6 -14.3 38.5 10.6 45 45 A E H > S+ 0 0 113 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.908 122.7 53.0 -60.7 -38.6 -16.9 36.1 9.3 46 46 A A H > S+ 0 0 64 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 109.5 47.9 -62.4 -43.5 -16.9 38.0 6.0 47 47 A E H > S+ 0 0 92 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.902 110.6 51.4 -65.1 -40.5 -13.1 37.6 5.7 48 48 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.925 109.7 50.1 -62.1 -43.0 -13.3 33.9 6.5 49 49 A Q H X S+ 0 0 91 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.907 111.2 49.4 -61.0 -41.2 -16.0 33.4 3.8 50 50 A D H X S+ 0 0 104 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.912 109.6 50.8 -64.8 -43.1 -13.8 35.3 1.3 51 51 A M H X S+ 0 0 13 -4,-2.6 4,-0.8 2,-0.2 -2,-0.2 0.930 113.5 45.4 -60.0 -45.8 -10.7 33.2 2.2 52 52 A I H >X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-1.1 0.956 109.0 57.2 -60.4 -50.9 -12.8 30.0 1.7 53 53 A N H 3< S+ 0 0 96 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.851 96.5 64.2 -47.7 -44.9 -14.2 31.4 -1.6 54 54 A E H 3< S+ 0 0 96 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.850 119.5 20.9 -50.6 -42.9 -10.8 31.9 -3.1 55 55 A V H << S+ 0 0 1 -3,-1.1 2,-2.6 -4,-0.8 -1,-0.2 0.493 93.0 106.8-107.4 -5.3 -9.9 28.2 -3.1 56 56 A D >< + 0 0 15 -4,-1.9 3,-1.2 1,-0.2 5,-0.2 -0.419 42.0 170.5 -77.0 73.2 -13.4 26.7 -2.9 57 57 A A T 3 S+ 0 0 89 -2,-2.6 -1,-0.2 1,-0.3 6,-0.1 0.834 75.8 41.4 -52.3 -44.3 -13.5 25.6 -6.6 58 58 A D T 3 S- 0 0 94 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.527 103.2-132.6 -85.4 -4.4 -16.7 23.6 -6.3 59 59 A G < + 0 0 54 -3,-1.2 -2,-0.1 -6,-0.1 4,-0.1 0.784 60.3 138.4 61.0 32.3 -18.3 26.2 -4.2 60 60 A N S S- 0 0 89 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.306 75.6-106.4 -90.4 10.9 -19.7 23.9 -1.6 61 61 A G S S+ 0 0 32 1,-0.2 2,-0.3 -5,-0.2 -32,-0.2 0.256 90.5 73.0 88.2 -13.3 -18.7 26.2 1.2 62 62 A T S S- 0 0 26 -34,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.872 76.5-115.9-132.1 165.4 -15.7 24.3 2.6 63 63 A I E -A 27 0A 2 -36,-2.2 -36,-2.2 -2,-0.3 2,-0.1 -0.890 30.0-168.9-102.6 119.4 -12.1 23.6 1.6 64 64 A D E > -A 26 0A 39 -2,-0.6 4,-2.0 -38,-0.2 -38,-0.2 -0.462 40.1 -93.3 -96.4 179.4 -11.3 19.9 1.0 65 65 A F H > S+ 0 0 29 -40,-0.6 4,-2.8 1,-0.2 5,-0.2 0.916 122.7 54.1 -61.7 -46.3 -7.8 18.5 0.6 66 66 A P H > S+ 0 0 77 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.913 111.8 46.4 -54.8 -39.3 -7.6 18.7 -3.2 67 67 A E H > S+ 0 0 8 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.872 109.6 54.6 -69.5 -34.6 -8.5 22.4 -2.9 68 68 A F H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.922 105.0 53.9 -62.9 -45.3 -6.0 22.8 -0.2 69 69 A L H X S+ 0 0 30 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.899 105.0 53.7 -57.2 -41.5 -3.3 21.4 -2.4 70 70 A N H >X S+ 0 0 84 -4,-1.6 4,-1.2 -5,-0.2 3,-0.5 0.914 107.1 52.2 -60.3 -40.4 -4.1 23.9 -5.1 71 71 A L H >< S+ 0 0 2 -4,-1.8 3,-0.6 1,-0.2 -2,-0.2 0.933 112.2 44.7 -59.1 -46.3 -3.6 26.7 -2.5 72 72 A M H 3< S+ 0 0 9 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.603 113.8 50.5 -76.2 -10.3 -0.2 25.3 -1.6 73 73 A A H << S+ 0 0 22 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.566 89.7 106.9-100.8 -13.3 0.7 24.8 -5.3 74 74 A R S << S- 0 0 98 -4,-1.2 2,-0.2 -3,-0.6 -3,-0.0 0.020 82.6 -80.9 -59.9 169.9 -0.2 28.4 -6.4 75 75 A K - 0 0 172 1,-0.1 -1,-0.1 2,-0.1 -2,-0.1 -0.529 33.3-123.5 -77.4 140.7 2.2 31.1 -7.3 76 76 A M - 0 0 70 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.868 29.3-162.6 -48.9 -42.6 3.7 33.1 -4.4 77 77 A K + 0 0 102 1,-0.2 2,-0.4 2,-0.1 -1,-0.1 0.590 47.9 122.9 65.7 11.0 2.3 36.3 -6.0 78 78 A D - 0 0 69 1,-0.1 -1,-0.2 3,-0.1 3,-0.2 -0.818 64.6-143.2-106.4 143.6 4.8 38.2 -3.8 79 79 A T S S+ 0 0 146 -2,-0.4 2,-1.3 1,-0.3 -1,-0.1 0.948 105.3 51.1 -65.2 -48.0 7.5 40.6 -5.0 80 80 A D S > S- 0 0 65 1,-0.2 3,-2.3 -3,-0.1 4,-0.5 -0.769 80.8-165.6 -90.0 91.8 9.8 39.2 -2.2 81 81 A S T 3 S+ 0 0 83 -2,-1.3 3,-0.3 1,-0.3 4,-0.3 0.746 87.1 50.1 -51.8 -26.4 9.3 35.5 -3.1 82 82 A E T 3> S+ 0 0 90 1,-0.2 4,-2.1 2,-0.1 3,-0.5 0.541 83.3 90.0 -89.7 -10.5 10.9 34.7 0.3 83 83 A E H <> S+ 0 0 63 -3,-2.3 4,-2.8 1,-0.2 5,-0.2 0.852 82.2 58.8 -57.3 -35.0 8.7 37.1 2.4 84 84 A E H > S+ 0 0 11 -4,-0.5 4,-1.8 -3,-0.3 -1,-0.2 0.916 108.9 43.1 -61.8 -41.6 6.2 34.3 2.9 85 85 A L H > S+ 0 0 40 -3,-0.5 4,-2.2 -4,-0.3 -1,-0.2 0.865 114.2 50.9 -72.4 -34.5 8.7 32.1 4.6 86 86 A K H X S+ 0 0 59 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.882 109.7 50.9 -68.9 -37.4 10.1 35.0 6.6 87 87 A E H X S+ 0 0 60 -4,-2.8 4,-1.0 -5,-0.2 -2,-0.2 0.886 109.2 50.6 -66.8 -38.9 6.6 35.8 7.7 88 88 A A H >X S+ 0 0 2 -4,-1.8 4,-1.3 -5,-0.2 3,-0.7 0.922 108.8 52.2 -64.1 -42.7 6.1 32.2 8.8 89 89 A F H 3X S+ 0 0 6 -4,-2.2 4,-3.0 1,-0.3 3,-0.4 0.902 104.8 55.9 -59.1 -43.4 9.3 32.3 10.8 90 90 A R H 3< S+ 0 0 115 -4,-2.1 -1,-0.3 1,-0.2 6,-0.2 0.758 99.5 60.1 -63.1 -24.4 8.2 35.5 12.6 91 91 A V H << S+ 0 0 51 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.905 112.5 38.9 -69.1 -39.0 5.1 33.7 13.7 92 92 A F H < S+ 0 0 0 -4,-1.3 2,-2.3 -3,-0.4 -2,-0.2 0.923 105.4 68.0 -73.6 -47.0 7.3 31.2 15.5 93 93 A D >< - 0 0 5 -4,-3.0 3,-2.3 1,-0.2 -1,-0.2 -0.457 70.0-179.2 -77.1 74.6 9.9 33.7 16.7 94 94 A K T 3 S+ 0 0 152 -2,-2.3 -1,-0.2 1,-0.3 6,-0.1 0.837 77.1 40.4 -43.7 -54.0 7.5 35.4 19.1 95 95 A D T 3 S- 0 0 105 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.395 103.3-131.2 -83.7 8.5 9.9 38.1 20.4 96 96 A G < + 0 0 54 -3,-2.3 -2,-0.1 -6,-0.2 4,-0.1 0.709 64.6 133.1 52.3 31.0 11.2 38.7 17.0 97 97 A N S S- 0 0 84 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.449 81.6-100.2 -89.5 0.1 14.9 38.6 18.0 98 98 A G S S+ 0 0 26 -5,-0.2 40,-0.6 1,-0.1 2,-0.4 0.404 94.6 86.0 99.2 -0.5 15.8 36.2 15.1 99 99 A F E -B 137 0B 74 38,-0.2 2,-0.7 39,-0.1 -2,-0.3 -0.994 67.5-136.9-138.3 132.8 15.8 32.9 17.0 100 100 A I E -B 136 0B 0 36,-3.0 36,-2.3 -2,-0.4 2,-0.1 -0.778 26.6-157.1 -88.2 118.3 13.1 30.5 17.9 101 101 A S > - 0 0 18 -2,-0.7 4,-2.6 34,-0.2 5,-0.2 -0.474 30.0-109.6 -88.9 163.6 13.5 29.3 21.5 102 102 A A H > S+ 0 0 22 32,-0.3 4,-2.7 1,-0.2 5,-0.2 0.902 121.3 53.8 -58.9 -40.2 12.1 26.1 22.9 103 103 A A H > S+ 0 0 53 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.908 109.7 46.4 -60.3 -44.4 9.6 28.2 24.9 104 104 A E H > S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.895 112.4 50.6 -67.0 -38.9 8.4 30.0 21.8 105 105 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.922 107.5 53.0 -66.3 -42.6 8.1 26.7 19.8 106 106 A R H X S+ 0 0 85 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.917 109.1 51.2 -58.1 -40.8 6.1 25.1 22.6 107 107 A H H X S+ 0 0 91 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.922 111.0 45.3 -64.3 -45.3 3.7 28.0 22.5 108 108 A V H X S+ 0 0 7 -4,-2.1 4,-2.3 2,-0.2 6,-0.2 0.874 111.3 53.6 -68.9 -33.4 3.1 27.9 18.7 109 109 A M H X>S+ 0 0 2 -4,-2.5 5,-2.7 2,-0.2 4,-0.8 0.947 111.3 46.3 -64.0 -44.9 2.7 24.1 18.8 110 110 A T H ><5S+ 0 0 106 -4,-2.3 3,-0.8 -5,-0.2 -2,-0.2 0.922 111.6 51.3 -62.1 -44.3 0.0 24.5 21.5 111 111 A N H 3<5S+ 0 0 33 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.892 110.8 47.8 -61.0 -40.4 -1.7 27.3 19.5 112 112 A L H 3<5S- 0 0 5 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.587 115.3-114.5 -76.8 -10.2 -1.8 25.2 16.3 113 113 A G T <<5 + 0 0 43 -4,-0.8 2,-1.1 -3,-0.8 -3,-0.2 0.771 66.4 147.2 81.3 23.2 -3.2 22.2 18.2 114 114 A E < - 0 0 16 -5,-2.7 2,-0.5 -6,-0.2 -1,-0.2 -0.804 42.0-147.2 -93.4 92.3 -0.0 20.2 17.5 115 115 A K + 0 0 176 -2,-1.1 2,-0.3 -3,-0.1 -5,-0.1 -0.514 34.3 151.6 -68.8 113.1 0.0 18.1 20.7 116 116 A L - 0 0 35 -2,-0.5 2,-0.1 -10,-0.1 -2,-0.0 -0.997 43.1-119.7-143.7 144.8 3.6 17.4 21.8 117 117 A T > - 0 0 77 -2,-0.3 4,-2.0 1,-0.1 3,-0.2 -0.381 37.9-106.4 -76.8 162.7 5.4 16.8 25.1 118 118 A D H > S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.876 123.4 55.8 -57.0 -35.2 8.1 19.2 26.0 119 119 A E H > S+ 0 0 109 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.889 106.1 49.4 -64.9 -40.0 10.6 16.5 25.2 120 120 A E H > S+ 0 0 52 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.865 109.2 52.4 -69.1 -33.3 9.2 16.1 21.7 121 121 A V H X S+ 0 0 2 -4,-2.0 4,-1.9 1,-0.2 3,-0.3 0.895 106.8 52.5 -69.4 -38.0 9.4 19.9 21.2 122 122 A D H X S+ 0 0 80 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.853 104.0 57.6 -65.2 -31.3 13.1 19.7 22.3 123 123 A E H X S+ 0 0 85 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.856 104.8 51.7 -65.9 -32.9 13.6 17.1 19.6 124 124 A M H X S+ 0 0 4 -4,-1.2 4,-2.1 -3,-0.3 5,-0.2 0.930 110.3 47.5 -67.2 -45.5 12.3 19.5 17.0 125 125 A I H X S+ 0 0 11 -4,-1.9 4,-3.1 1,-0.2 -2,-0.2 0.943 111.5 52.0 -59.7 -46.1 14.8 22.2 18.2 126 126 A R H < S+ 0 0 205 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.873 108.0 50.8 -59.6 -39.2 17.6 19.6 18.1 127 127 A E H < S+ 0 0 89 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.936 119.2 36.3 -65.4 -43.5 16.8 18.6 14.5 128 128 A A H < S+ 0 0 2 -4,-2.1 2,-1.6 -5,-0.1 -2,-0.2 0.796 94.6 91.8 -80.0 -29.8 16.8 22.2 13.3 129 129 A D < + 0 0 28 -4,-3.1 -1,-0.1 -5,-0.2 7,-0.1 -0.487 41.4 158.0 -75.1 89.3 19.6 23.5 15.5 130 130 A V S S+ 0 0 118 -2,-1.6 -1,-0.2 1,-0.2 6,-0.1 0.827 70.4 50.6 -80.8 -34.4 22.7 23.0 13.3 131 131 A D S S- 0 0 95 4,-0.2 -1,-0.2 1,-0.0 -2,-0.1 0.586 104.4-125.8 -82.6 -7.8 25.0 25.6 14.9 132 132 A G S S+ 0 0 58 3,-0.2 -2,-0.1 -6,-0.1 4,-0.1 0.679 70.9 126.6 77.8 19.5 24.3 24.3 18.4 133 133 A D S S- 0 0 80 2,-0.3 3,-0.1 1,-0.0 -1,-0.1 0.422 80.0-113.7 -87.6 2.3 23.2 27.4 20.3 134 134 A G S S+ 0 0 39 1,-0.3 -32,-0.3 -9,-0.1 2,-0.3 0.483 87.6 78.9 82.6 0.8 20.1 25.6 21.4 135 135 A Q S S- 0 0 66 -34,-0.1 2,-0.6 -7,-0.1 -2,-0.3 -0.830 79.3-109.6-133.0 174.9 17.7 27.8 19.4 136 136 A V E -B 100 0B 0 -36,-2.3 -36,-3.0 -2,-0.3 -7,-0.1 -0.909 26.7-165.0-114.7 113.4 16.6 27.9 15.8 137 137 A N E > -B 99 0B 32 -2,-0.6 4,-1.9 -38,-0.2 -38,-0.2 -0.277 41.1 -93.3 -84.8 178.0 17.6 30.8 13.5 138 138 A Y H > S+ 0 0 43 -40,-0.6 4,-2.7 1,-0.2 5,-0.2 0.915 123.9 52.2 -57.8 -46.2 16.0 31.7 10.2 139 139 A E H > S+ 0 0 153 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.895 110.4 48.2 -58.7 -41.1 18.5 29.7 8.1 140 140 A E H > S+ 0 0 9 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.849 110.0 53.1 -68.9 -32.2 17.9 26.6 10.2 141 141 A F H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.931 106.7 53.0 -66.4 -46.7 14.1 27.0 9.9 142 142 A V H X S+ 0 0 40 -4,-2.7 4,-0.9 1,-0.2 3,-0.2 0.923 108.0 51.4 -54.2 -46.5 14.5 27.2 6.1 143 143 A Q H >< S+ 0 0 94 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.898 110.7 45.1 -62.7 -42.7 16.4 23.9 6.1 144 144 A V H 3< S+ 0 0 5 -4,-1.8 -1,-0.2 1,-0.2 10,-0.2 0.729 109.8 57.4 -75.4 -17.4 13.9 21.9 8.2 145 145 A M H 3< S+ 0 0 13 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.658 83.3 105.6 -82.5 -15.7 11.0 23.4 6.1 146 146 A M << - 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