==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM BINDING PROTEIN 16-OCT-08 3EWT . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.JIANG,P.CAO,Y.GONG,H.J.YU,W.J.GUI,W.T.ZHANG . 159 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 73.0 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 . 10 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 50.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 0 2 4 0 1 1 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 . 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 0 131 0, 0.0 2,-1.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-105.9 14.8 9.6 57.8 2 2 A D + 0 0 164 2,-0.0 2,-0.2 75,-0.0 71,-0.0 -0.694 360.0 109.8 -70.8 76.0 15.9 13.2 57.3 3 3 A Q - 0 0 137 -2,-1.7 2,-0.3 70,-0.0 0, 0.0 -0.810 60.6-144.0-158.1 121.6 19.4 12.3 58.7 4 4 A L - 0 0 65 -2,-0.2 2,-0.1 1,-0.1 -2,-0.0 -0.655 25.0-139.1 -80.1 135.3 22.7 11.9 57.0 5 5 A T > - 0 0 70 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.309 27.7 -94.8 -91.9 177.2 24.9 9.1 58.4 6 6 A E H > S+ 0 0 174 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.823 127.6 44.2 -58.5 -36.6 28.7 8.9 59.1 7 7 A E H > S+ 0 0 145 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.807 110.1 54.3 -80.6 -32.1 29.3 7.4 55.7 8 8 A Q H > S+ 0 0 61 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.829 109.0 50.5 -66.9 -34.5 27.0 9.8 53.9 9 9 A I H X S+ 0 0 50 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.926 109.4 49.9 -65.3 -49.0 29.0 12.6 55.5 10 10 A A H X S+ 0 0 60 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.824 109.6 51.9 -61.0 -34.5 32.3 11.1 54.3 11 11 A E H X S+ 0 0 47 -4,-1.8 4,-2.5 2,-0.2 137,-0.4 0.864 110.4 47.9 -69.4 -38.7 30.9 10.8 50.7 12 12 A F H X S+ 0 0 7 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.845 109.3 53.5 -67.9 -35.4 29.9 14.5 50.8 13 13 A K H X S+ 0 0 104 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.883 110.2 48.0 -66.3 -37.0 33.4 15.4 52.0 14 14 A E H >X S+ 0 0 78 -4,-1.5 3,-1.0 2,-0.2 4,-0.7 0.952 111.3 49.1 -65.7 -53.1 34.8 13.4 49.1 15 15 A A H >X S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 4,-0.7 0.851 104.2 61.3 -50.8 -41.4 32.5 15.2 46.7 16 16 A F H >X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.3 3,-0.6 0.818 96.3 60.5 -57.1 -34.5 33.5 18.5 48.2 17 17 A S H << S+ 0 0 64 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.740 91.6 66.6 -69.6 -25.1 37.1 17.8 47.1 18 18 A L H << S+ 0 0 3 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.891 112.7 33.2 -54.6 -41.8 36.0 17.7 43.5 19 19 A F H << S+ 0 0 2 -4,-0.7 2,-2.1 -3,-0.6 9,-0.2 0.831 105.9 70.3 -87.1 -40.7 35.2 21.5 43.8 20 20 A D >< + 0 0 8 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 -0.498 65.3 176.4 -79.1 74.7 37.9 22.5 46.2 21 21 A K T 3 S+ 0 0 94 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.738 75.9 40.7 -56.2 -28.4 40.7 22.0 43.7 22 22 A D T 3 S- 0 0 106 4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.425 101.9-128.4-104.1 0.3 43.5 23.3 45.9 23 23 A G < + 0 0 59 -3,-1.7 -2,-0.1 -6,-0.2 4,-0.1 0.739 65.7 134.0 60.6 27.5 42.3 21.5 49.1 24 24 A D S S- 0 0 92 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.473 79.5-107.4 -83.1 -3.4 42.4 24.7 51.2 25 25 A G S S+ 0 0 28 1,-0.2 40,-0.6 -5,-0.1 2,-0.4 0.425 89.8 88.2 94.1 2.6 38.9 23.8 52.6 26 26 A T E -A 64 0A 31 38,-0.2 2,-0.6 39,-0.1 -2,-0.3 -0.985 67.4-136.8-130.5 139.6 36.9 26.5 50.7 27 27 A I E -A 63 0A 5 36,-2.8 36,-2.1 -2,-0.4 2,-0.2 -0.892 27.7-162.4 -88.5 120.7 35.3 26.6 47.3 28 28 A T > - 0 0 29 -2,-0.6 4,-2.3 -9,-0.2 5,-0.1 -0.496 33.9-106.6 -90.0 168.0 36.0 29.9 45.6 29 29 A T H > S+ 0 0 46 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.846 122.8 55.7 -57.7 -36.6 34.1 31.4 42.6 30 30 A K H > S+ 0 0 150 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 108.7 45.1 -65.3 -43.6 37.2 30.6 40.5 31 31 A E H > S+ 0 0 15 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.861 112.7 51.9 -68.3 -36.1 37.0 26.9 41.5 32 32 A L H X S+ 0 0 7 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.896 108.9 50.5 -64.6 -40.5 33.2 26.9 40.9 33 33 A G H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.902 109.2 50.4 -66.8 -41.5 33.7 28.4 37.4 34 34 A T H X S+ 0 0 59 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.871 113.8 45.3 -64.8 -38.5 36.3 25.8 36.5 35 35 A V H X S+ 0 0 0 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.947 113.3 50.8 -64.7 -50.2 33.9 23.0 37.7 36 36 A M H ><>S+ 0 0 0 -4,-3.1 5,-2.5 1,-0.2 3,-0.9 0.901 112.7 45.1 -52.0 -48.1 31.0 24.6 35.9 37 37 A R H ><5S+ 0 0 124 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.808 105.9 59.9 -71.0 -30.1 32.9 24.9 32.6 38 38 A S H 3<5S+ 0 0 23 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.622 105.8 51.1 -71.1 -11.3 34.2 21.3 33.0 39 39 A L T <<5S- 0 0 3 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.027 128.4 -98.4-108.0 19.8 30.4 20.3 33.0 40 40 A G T < 5S+ 0 0 65 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.530 85.1 123.9 77.6 7.8 29.7 22.3 29.8 41 41 A Q < - 0 0 43 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.528 46.1-158.8 -93.3 166.5 28.3 25.4 31.5 42 42 A N + 0 0 134 -2,-0.2 -9,-0.1 -3,-0.1 -5,-0.0 -0.323 17.2 175.9-143.0 60.3 29.5 29.0 31.2 43 43 A P - 0 0 15 0, 0.0 2,-0.1 0, 0.0 -6,-0.1 -0.291 27.9-122.6 -66.7 151.2 28.4 31.1 34.2 44 44 A T > - 0 0 65 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.290 31.9 -98.3 -83.3 174.1 29.6 34.8 34.4 45 45 A E H > S+ 0 0 138 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.912 126.5 47.3 -59.1 -40.4 31.6 36.2 37.3 46 46 A A H > S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.857 109.6 52.1 -70.3 -42.8 28.4 37.6 38.8 47 47 A E H > S+ 0 0 98 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.891 108.4 52.2 -57.1 -42.1 26.4 34.4 38.3 48 48 A L H X S+ 0 0 12 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.893 109.6 49.0 -63.8 -39.3 29.2 32.5 40.1 49 49 A Q H X S+ 0 0 115 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.877 109.9 51.6 -65.9 -40.0 29.0 35.0 43.0 50 50 A D H X S+ 0 0 109 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.881 109.8 50.1 -60.9 -44.7 25.2 34.5 43.1 51 51 A M H >X S+ 0 0 4 -4,-2.4 4,-0.6 2,-0.2 3,-0.6 0.966 112.4 45.5 -56.8 -57.3 25.7 30.7 43.2 52 52 A I H >X S+ 0 0 5 -4,-2.4 4,-1.9 1,-0.2 3,-1.1 0.881 109.8 59.2 -51.0 -41.0 28.2 31.0 46.1 53 53 A N H 3< S+ 0 0 115 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.827 96.6 56.6 -63.5 -37.4 25.8 33.5 47.8 54 54 A E H << S+ 0 0 141 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.716 122.2 30.3 -65.6 -18.0 22.8 31.1 48.0 55 55 A V H << S+ 0 0 14 -3,-1.1 2,-2.1 -4,-0.6 -2,-0.2 0.598 92.1 98.0-115.3 -20.7 25.0 28.7 50.0 56 56 A D >< + 0 0 14 -4,-1.9 3,-1.9 1,-0.2 5,-0.1 -0.449 45.4 174.6 -82.8 75.3 27.4 31.1 51.7 57 57 A A T 3 S+ 0 0 93 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.786 76.3 44.2 -56.0 -35.0 25.7 31.2 55.1 58 58 A D T 3 S- 0 0 95 4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.370 101.3-128.4 -94.7 5.5 28.4 33.3 56.8 59 59 A G < + 0 0 58 -3,-1.9 -2,-0.1 -6,-0.1 -6,-0.1 0.657 68.1 129.1 60.9 18.6 28.9 35.8 54.0 60 60 A N S S- 0 0 95 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.524 78.5-110.7 -81.6 -3.2 32.7 35.4 53.8 61 61 A G S S+ 0 0 38 1,-0.3 2,-0.3 -5,-0.1 -32,-0.2 0.071 87.9 77.5 99.8 -24.5 32.7 34.9 50.0 62 62 A T S S- 0 0 29 -34,-0.1 2,-0.6 -33,-0.0 -2,-0.3 -0.774 75.5-120.8-116.6 161.6 33.7 31.2 50.0 63 63 A I E -A 27 0A 9 -36,-2.1 -36,-2.8 -2,-0.3 2,-0.1 -0.923 29.3-167.9-100.0 115.0 31.8 27.9 50.6 64 64 A D E > -A 26 0A 44 -2,-0.6 4,-2.2 -38,-0.2 -38,-0.2 -0.343 40.2 -92.9 -87.4 177.0 33.4 25.8 53.4 65 65 A F H > S+ 0 0 39 -40,-0.6 4,-3.4 1,-0.2 5,-0.2 0.926 123.7 52.9 -60.8 -48.2 32.5 22.1 54.1 66 66 A P H > S+ 0 0 79 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.894 112.0 47.1 -51.7 -41.9 29.7 22.8 56.7 67 67 A E H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.907 113.2 48.2 -66.1 -42.3 28.0 25.2 54.2 68 68 A F H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.935 112.1 49.2 -60.1 -48.2 28.4 22.6 51.4 69 69 A L H X S+ 0 0 32 -4,-3.4 4,-2.8 1,-0.2 -2,-0.2 0.878 110.0 52.4 -60.5 -41.4 27.0 19.9 53.7 70 70 A T H X S+ 0 0 92 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.937 110.3 46.7 -57.1 -50.9 24.1 22.2 54.7 71 71 A M H X S+ 0 0 18 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.905 115.1 47.3 -60.3 -41.8 23.2 22.9 51.0 72 72 A M H X S+ 0 0 3 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.883 108.7 52.7 -69.3 -42.1 23.4 19.1 50.2 73 73 A A H X S+ 0 0 38 -4,-2.8 4,-0.8 -5,-0.2 -1,-0.2 0.931 115.9 42.8 -53.2 -46.1 21.3 18.1 53.3 74 74 A R H >X S+ 0 0 152 -4,-2.2 4,-2.3 1,-0.2 3,-1.1 0.935 111.2 52.4 -70.1 -48.3 18.7 20.6 52.0 75 75 A K H 3< S+ 0 0 33 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.742 102.0 62.0 -59.5 -28.1 18.9 19.6 48.3 76 76 A M H 3< S+ 0 0 63 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.833 112.3 37.8 -63.8 -34.8 18.4 16.0 49.3 77 77 A K H << S+ 0 0 68 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.1 0.925 105.5 74.0 -82.9 -49.8 15.0 17.0 50.6 78 78 A D S < S- 0 0 34 -4,-2.3 2,-0.4 1,-0.1 0, 0.0 -0.124 71.2-128.0 -74.1 162.4 13.7 19.6 48.1 79 79 A T - 0 0 136 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.886 21.8-151.1-110.6 140.5 12.4 19.2 44.6 80 80 A D - 0 0 39 -2,-0.4 2,-0.1 1,-0.1 65,-0.0 -0.519 30.7 -79.5-106.0 170.0 13.7 21.1 41.6 81 81 A S >> - 0 0 81 -2,-0.2 4,-1.9 1,-0.1 3,-1.3 -0.463 42.2-116.7 -66.2 140.6 12.2 22.3 38.3 82 82 A E H 3> S+ 0 0 113 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.801 116.3 49.3 -46.7 -33.9 12.0 19.6 35.6 83 83 A E H 3> S+ 0 0 114 2,-0.2 4,-1.5 3,-0.2 -1,-0.3 0.663 103.1 57.6 -88.3 -16.5 14.4 21.7 33.5 84 84 A E H <> S+ 0 0 26 -3,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.940 114.6 39.3 -69.2 -49.2 17.0 22.2 36.2 85 85 A I H X S+ 0 0 13 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.821 111.8 58.6 -68.6 -32.1 17.3 18.4 36.6 86 86 A R H X S+ 0 0 82 -4,-1.4 4,-2.1 -5,-0.3 -1,-0.2 0.919 106.1 48.1 -61.2 -44.6 17.1 18.0 32.8 87 87 A E H X S+ 0 0 60 -4,-1.5 4,-0.7 2,-0.2 -2,-0.2 0.850 111.1 51.3 -64.0 -37.0 20.2 20.2 32.3 88 88 A A H >X S+ 0 0 1 -4,-1.5 3,-0.9 2,-0.2 4,-0.9 0.927 108.9 51.1 -64.2 -44.4 22.0 18.2 35.0 89 89 A F H >X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 3,-0.5 0.883 103.4 59.1 -59.4 -43.3 21.1 14.9 33.3 90 90 A R H 3< S+ 0 0 110 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.716 94.9 63.6 -60.9 -24.7 22.4 16.2 29.9 91 91 A V H << S+ 0 0 4 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.935 114.4 32.4 -68.1 -40.1 25.9 16.7 31.4 92 92 A F H << S+ 0 0 0 -4,-0.9 2,-2.4 -3,-0.5 9,-0.2 0.896 107.5 69.3 -76.3 -47.5 26.2 12.9 32.0 93 93 A D >< + 0 0 12 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 -0.426 63.8 167.2 -75.5 73.0 24.1 11.7 29.1 94 94 A K T 3 S+ 0 0 113 -2,-2.4 -1,-0.2 1,-0.3 6,-0.1 0.823 71.4 46.2 -62.6 -36.5 26.7 12.8 26.5 95 95 A D T 3 S- 0 0 104 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.371 103.5-127.2 -89.6 5.8 25.3 11.0 23.5 96 96 A G < + 0 0 60 -3,-1.6 -2,-0.1 -6,-0.2 -3,-0.1 0.519 68.6 130.7 66.5 8.2 21.7 12.1 24.2 97 97 A N S S- 0 0 86 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.577 79.0-107.5 -75.0 -8.7 20.3 8.5 24.1 98 98 A G S S+ 0 0 23 1,-0.2 40,-0.6 -5,-0.1 2,-0.4 0.442 90.2 90.7 98.2 4.3 18.4 8.8 27.4 99 99 A Y E -B 137 0B 87 38,-0.2 2,-0.7 39,-0.1 38,-0.2 -0.994 65.5-142.6-138.2 125.9 20.8 6.6 29.4 100 100 A I E -B 136 0B 4 36,-3.3 36,-2.4 -2,-0.4 2,-0.2 -0.810 29.1-164.5 -84.9 116.4 23.8 7.4 31.5 101 101 A S > - 0 0 25 -2,-0.7 4,-2.0 -9,-0.2 5,-0.2 -0.532 34.1-105.9 -91.9 165.0 26.2 4.6 30.9 102 102 A A H > S+ 0 0 20 32,-0.3 4,-2.2 1,-0.2 5,-0.1 0.853 122.5 54.6 -53.8 -44.1 29.3 3.8 33.0 103 103 A A H > S+ 0 0 34 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.883 107.2 49.8 -60.1 -40.3 31.5 5.1 30.2 104 104 A E H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.905 112.0 47.0 -69.8 -41.1 29.6 8.4 30.3 105 105 A L H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.852 111.1 53.1 -61.0 -40.6 30.0 8.8 34.1 106 106 A R H X S+ 0 0 73 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.905 108.6 50.0 -63.3 -43.7 33.7 7.9 33.7 107 107 A H H X S+ 0 0 111 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.956 112.4 46.3 -58.7 -50.4 34.0 10.7 31.1 108 108 A V H X S+ 0 0 5 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.924 114.3 47.2 -60.5 -47.0 32.3 13.3 33.4 109 109 A M H <>S+ 0 0 0 -4,-2.5 5,-2.8 2,-0.2 -1,-0.2 0.901 112.6 49.8 -62.8 -43.9 34.3 12.3 36.5 110 110 A T H ><5S+ 0 0 87 -4,-2.5 3,-2.4 1,-0.2 -2,-0.2 0.927 108.3 51.7 -58.3 -49.9 37.6 12.3 34.5 111 111 A N H 3<5S+ 0 0 113 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.781 107.0 56.2 -60.1 -25.9 36.8 15.8 33.1 112 112 A L T 3<5S- 0 0 2 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.352 126.9-102.9 -84.4 2.8 36.3 16.8 36.7 113 113 A G T < 5S+ 0 0 58 -3,-2.4 2,-0.5 1,-0.2 -3,-0.2 0.540 71.2 151.2 90.2 10.8 39.8 15.6 37.6 114 114 A E < - 0 0 35 -5,-2.8 2,-1.2 -6,-0.2 -1,-0.2 -0.680 43.9-143.6 -94.7 128.3 38.7 12.3 39.2 115 115 A K + 0 0 128 -2,-0.5 2,-0.5 -5,-0.0 -1,-0.1 -0.629 33.9 173.3 -77.8 85.3 40.7 9.1 39.4 116 116 A L - 0 0 29 -2,-1.2 2,-0.1 -10,-0.1 -6,-0.1 -0.873 26.0-153.5-113.7 126.7 38.0 6.3 39.0 117 117 A T > - 0 0 78 -2,-0.5 4,-1.6 1,-0.1 3,-0.1 -0.389 35.4-114.0 -68.8 160.4 38.4 2.5 38.6 118 118 A D H > S+ 0 0 98 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.502 117.8 60.8 -82.9 -0.3 35.5 0.9 36.7 119 119 A E H > S+ 0 0 64 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.768 107.1 47.1 -82.6 -32.1 34.5 -1.0 39.8 120 120 A E H > S+ 0 0 75 2,-0.2 4,-1.3 -3,-0.1 -2,-0.2 0.855 114.4 47.1 -71.5 -38.0 34.1 2.5 41.4 121 121 A V H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 3,-0.4 0.958 111.7 48.1 -66.4 -53.3 32.1 3.6 38.3 122 122 A D H X S+ 0 0 70 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.854 110.2 54.6 -56.8 -36.4 29.9 0.5 38.1 123 123 A E H X S+ 0 0 28 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.843 105.5 51.1 -67.5 -36.8 29.2 0.9 41.8 124 124 A M H X S+ 0 0 8 -4,-1.3 4,-1.1 -3,-0.4 -2,-0.2 0.893 113.4 45.5 -63.2 -44.2 28.0 4.6 41.3 125 125 A I H X S+ 0 0 7 -4,-2.0 4,-2.1 2,-0.2 3,-0.3 0.891 108.3 58.6 -61.4 -41.4 25.7 3.3 38.6 126 126 A R H < S+ 0 0 154 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.920 104.7 49.7 -57.5 -46.1 24.6 0.5 40.9 127 127 A E H < S+ 0 0 113 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.804 117.3 38.8 -61.4 -35.7 23.4 3.0 43.6 128 128 A A H < S+ 0 0 6 -4,-1.1 2,-0.3 -3,-0.3 -1,-0.2 0.679 92.3 101.6 -91.4 -20.7 21.3 5.1 41.1 129 129 A D < + 0 0 28 -4,-2.1 7,-0.1 1,-0.2 -4,-0.0 -0.482 37.9 169.2 -70.5 125.7 19.9 2.2 39.0 130 130 A I S S+ 0 0 110 -2,-0.3 -1,-0.2 0, 0.0 6,-0.1 0.798 76.2 42.1-101.5 -49.2 16.3 1.3 39.9 131 131 A D S S- 0 0 94 4,-0.2 -2,-0.1 1,-0.1 5,-0.1 0.672 104.0-122.0 -78.2 -16.5 15.3 -1.1 37.1 132 132 A G S S+ 0 0 60 3,-0.2 -1,-0.1 -6,-0.1 -3,-0.1 0.537 72.3 128.5 87.6 9.6 18.6 -3.0 37.0 133 133 A D S S- 0 0 76 2,-0.2 3,-0.1 1,-0.1 -1,-0.0 0.532 78.9-114.4 -73.4 -5.2 19.5 -2.4 33.4 134 134 A G S S+ 0 0 40 1,-0.3 -32,-0.3 -9,-0.1 2,-0.3 0.682 86.9 85.1 82.7 17.8 23.0 -1.1 34.5 135 135 A Q S S- 0 0 54 -34,-0.1 2,-0.6 -10,-0.1 -1,-0.3 -0.915 77.2-116.2-140.4 167.6 22.4 2.4 33.3 136 136 A V E -B 100 0B 3 -36,-2.4 -36,-3.3 -2,-0.3 2,-0.1 -0.930 29.9-170.4-115.1 115.6 20.8 5.6 34.7 137 137 A N E > -B 99 0B 32 -2,-0.6 4,-1.7 -38,-0.2 -38,-0.2 -0.420 40.7 -92.7 -95.4 176.2 17.7 6.9 32.9 138 138 A Y H > S+ 0 0 35 -40,-0.6 4,-2.6 1,-0.2 5,-0.1 0.906 122.5 52.0 -59.2 -48.1 15.9 10.2 33.5 139 139 A E H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.911 112.6 46.3 -53.8 -47.9 13.4 8.9 36.1 140 140 A E H > S+ 0 0 6 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.786 110.4 53.5 -66.0 -31.9 16.2 7.3 38.2 141 141 A F H X S+ 0 0 0 -4,-1.7 4,-0.5 2,-0.2 -2,-0.2 0.918 110.2 48.2 -66.4 -45.3 18.2 10.5 37.9 142 142 A V H >< S+ 0 0 48 -4,-2.6 3,-2.7 1,-0.2 -2,-0.2 0.977 109.8 49.9 -54.5 -61.8 15.2 12.5 39.2 143 143 A Q H 3< S+ 0 0 130 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.749 104.3 61.8 -52.2 -29.2 14.6 10.2 42.2 144 144 A M H 3< 0 0 51 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.670 360.0 360.0 -69.8 -25.5 18.2 10.5 43.0 145 145 A M << 0 0 32 -3,-2.7 -1,-0.2 -4,-0.5 -2,-0.2 0.304 360.0 360.0 -88.2 360.0 17.9 14.2 43.6 146 !* 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 0.0 147 230 E S 0 0 23 0, 0.0 4,-0.1 0, 0.0 -135,-0.1 0.000 360.0 360.0 360.0 145.4 29.1 7.9 46.4 148 231 E K > + 0 0 37 -137,-0.4 4,-2.0 2,-0.1 5,-0.2 0.134 360.0 106.7-127.9 20.2 27.6 11.4 46.4 149 232 E Y H > S+ 0 0 7 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.951 80.8 44.6 -59.1 -57.6 29.4 12.7 43.2 150 233 E I H > S+ 0 0 15 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.914 115.2 49.1 -58.5 -47.0 26.4 12.7 40.9 151 234 E T H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.872 114.4 44.4 -61.9 -40.7 24.1 14.2 43.5 152 235 E T H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 -2,-0.2 0.872 112.3 52.2 -74.6 -36.8 26.5 17.0 44.3 153 236 E I H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.968 115.9 40.6 -58.5 -54.4 27.3 17.7 40.6 154 237 E A H X S+ 0 0 3 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.877 113.9 55.6 -57.7 -40.4 23.5 18.0 40.0 155 238 E G H X S+ 0 0 5 -4,-2.3 4,-0.6 -5,-0.2 -2,-0.2 0.930 110.1 44.5 -57.9 -48.8 23.2 19.9 43.4 156 239 E V H >X S+ 0 0 4 -4,-3.2 3,-1.2 1,-0.2 4,-0.5 0.898 108.2 57.1 -63.1 -45.0 25.8 22.5 42.2 157 240 E M H >< S+ 0 0 13 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.894 102.0 59.2 -47.0 -45.6 24.1 22.7 38.7 158 241 E T H 3< S+ 0 0 27 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.718 90.1 68.3 -60.8 -27.4 20.9 23.7 40.6 159 242 E L H << 0 0 18 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.759 360.0 360.0 -62.0 -25.3 22.6 26.7 42.2 160 243 E S << 0 0 95 -3,-1.5 -2,-0.1 -4,-0.5 -3,-0.1 0.882 360.0 360.0 -76.4 360.0 22.7 28.3 38.7