==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN/TRANSFERASE 20-MAR-09 3GP2 . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR H.L.NG,T.A.ALBER,A.J.WAND . 166 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9035.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 69.9 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 3.0 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 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 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 1 0 3 2 0 1 1 1 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 2 A D 0 0 202 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.8 15.7 4.9 33.5 2 3 A Q - 0 0 145 1,-0.1 2,-0.2 2,-0.0 0, 0.0 0.529 360.0 -99.4 -7.8 135.0 16.8 8.5 34.1 3 4 A L - 0 0 108 1,-0.1 2,-0.2 4,-0.0 -1,-0.1 -0.459 49.7-138.4 -57.0 132.1 16.4 11.4 31.7 4 5 A T > - 0 0 63 -2,-0.2 4,-2.1 -3,-0.1 5,-0.2 -0.642 16.1-117.0-102.0 162.1 19.8 11.7 30.0 5 6 A E H > S+ 0 0 170 -2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.904 117.3 51.0 -59.9 -42.4 21.9 14.8 29.0 6 7 A E H > S+ 0 0 57 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 106.3 53.6 -65.6 -39.5 21.6 13.9 25.4 7 8 A Q H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 108.5 50.9 -57.6 -44.7 17.8 13.6 25.6 8 9 A I H X S+ 0 0 74 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.935 108.2 51.3 -58.7 -43.0 17.7 17.0 27.1 9 10 A A H X S+ 0 0 23 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.844 108.1 52.9 -64.2 -37.5 19.8 18.4 24.2 10 11 A E H X S+ 0 0 19 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.919 111.4 46.0 -62.5 -48.2 17.4 16.8 21.7 11 12 A F H X S+ 0 0 48 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.888 111.5 52.2 -61.5 -39.2 14.5 18.5 23.3 12 13 A K H X S+ 0 0 142 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.884 107.0 52.7 -65.6 -37.4 16.4 21.8 23.4 13 14 A E H X S+ 0 0 33 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.922 110.4 47.5 -61.4 -49.1 17.1 21.5 19.7 14 15 A A H X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 3,-0.5 0.941 111.4 51.4 -57.5 -43.3 13.4 21.0 19.0 15 16 A F H >X S+ 0 0 14 -4,-2.7 4,-2.8 1,-0.3 3,-0.7 0.922 107.0 54.1 -61.5 -42.9 12.6 24.0 21.3 16 17 A S H 3< S+ 0 0 50 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.804 98.9 61.7 -62.6 -29.4 15.1 26.2 19.4 17 18 A L H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 -3,-0.5 3,-0.2 0.851 114.8 35.2 -68.0 -30.2 13.4 25.4 16.0 18 19 A F H << S+ 0 0 4 -4,-1.1 2,-1.8 -3,-0.7 -2,-0.2 0.866 112.8 60.4 -79.5 -44.9 10.3 27.1 17.4 19 20 A D >< + 0 0 12 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 -0.545 63.5 161.1 -86.3 68.2 12.2 29.8 19.5 20 21 A K T 3 S+ 0 0 100 -2,-1.8 -1,-0.2 1,-0.3 -4,-0.1 0.757 71.1 52.4 -70.4 -19.9 13.9 31.3 16.5 21 22 A D T 3 S- 0 0 104 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.423 103.2-133.7 -95.7 0.7 14.6 34.6 18.3 22 23 A G < + 0 0 58 -3,-1.6 -2,-0.1 -6,-0.2 -6,-0.1 0.715 63.2 134.4 53.0 30.3 16.2 32.6 21.1 23 24 A D S S- 0 0 91 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.495 75.7-111.0 -85.4 1.8 14.5 34.6 23.8 24 25 A G S S+ 0 0 37 1,-0.2 40,-0.4 -5,-0.2 2,-0.3 0.458 87.7 88.1 87.1 3.8 13.5 31.4 25.7 25 26 A T - 0 0 38 38,-0.1 2,-0.6 39,-0.0 -2,-0.3 -0.979 65.2-140.2-134.1 145.8 9.8 31.5 25.1 26 27 A I B -A 62 0A 0 36,-2.7 36,-2.8 -2,-0.3 2,-0.2 -0.936 22.7-163.2-106.1 121.9 7.6 30.2 22.2 27 28 A T > - 0 0 40 -2,-0.6 4,-2.5 34,-0.2 5,-0.2 -0.533 35.2-106.0 -91.0 167.9 4.9 32.5 21.2 28 29 A T H > S+ 0 0 25 32,-0.4 4,-2.7 1,-0.2 5,-0.2 0.895 123.4 56.6 -61.2 -35.2 1.7 31.7 19.1 29 30 A K H > S+ 0 0 162 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.940 108.6 45.4 -61.8 -42.4 3.5 33.5 16.2 30 31 A E H > S+ 0 0 17 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.892 111.9 51.7 -68.9 -40.2 6.5 31.2 16.5 31 32 A L H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.956 111.7 47.5 -56.7 -48.1 4.3 28.1 16.7 32 33 A G H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 5,-0.3 0.895 108.1 55.2 -60.7 -43.3 2.4 29.2 13.6 33 34 A T H X S+ 0 0 61 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.951 111.0 43.3 -57.5 -47.7 5.6 29.9 11.7 34 35 A V H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.952 114.0 51.4 -64.6 -45.6 7.0 26.5 12.3 35 36 A M H ><>S+ 0 0 16 -4,-2.5 5,-2.5 1,-0.2 3,-0.6 0.915 110.8 46.9 -62.4 -45.6 3.7 24.8 11.5 36 37 A R H ><5S+ 0 0 116 -4,-2.8 3,-1.8 1,-0.2 -1,-0.2 0.871 106.9 58.4 -63.6 -33.7 3.2 26.6 8.2 37 38 A S H 3<5S+ 0 0 29 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.806 105.7 51.0 -61.0 -29.3 6.8 25.8 7.3 38 39 A L T <<5S- 0 0 3 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.162 129.4 -98.1 -95.5 12.3 5.8 22.1 7.7 39 40 A G T < 5S+ 0 0 65 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.571 82.9 128.4 85.5 12.0 2.7 22.6 5.4 40 41 A Q < - 0 0 50 -5,-2.5 -1,-0.3 -6,-0.2 126,-0.1 -0.507 45.7-155.1 -90.8 167.6 0.1 23.0 8.1 41 42 A N + 0 0 141 -2,-0.2 -9,-0.1 2,-0.0 -5,-0.0 -0.359 18.8 179.8-141.1 59.9 -2.4 25.9 8.3 42 43 A P - 0 0 15 0, 0.0 2,-0.1 0, 0.0 -6,-0.1 -0.283 24.2-127.4 -64.8 147.0 -3.5 26.4 11.9 43 44 A T > - 0 0 71 1,-0.1 4,-2.0 4,-0.0 5,-0.2 -0.445 25.8-108.4 -83.6 163.4 -5.9 29.1 12.7 44 45 A E H > S+ 0 0 113 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.924 121.8 51.0 -54.2 -46.2 -5.2 31.7 15.5 45 46 A A H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.857 108.1 52.7 -66.2 -34.1 -7.7 30.1 17.8 46 47 A E H > S+ 0 0 97 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.890 108.8 49.6 -65.6 -39.1 -6.1 26.7 17.2 47 48 A L H X S+ 0 0 5 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.926 111.6 49.6 -64.6 -38.8 -2.7 28.1 18.2 48 49 A Q H X S+ 0 0 60 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.901 107.8 53.2 -66.3 -37.8 -4.2 29.6 21.3 49 50 A D H X S+ 0 0 91 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.899 107.7 51.7 -64.3 -43.9 -5.8 26.3 22.1 50 51 A M H X S+ 0 0 34 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.908 113.6 43.8 -59.2 -47.9 -2.3 24.6 21.8 51 52 A I H >X S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 4,-1.2 0.928 110.4 54.8 -66.2 -42.9 -0.8 27.1 24.2 52 53 A N H 3< S+ 0 0 96 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.815 96.2 65.6 -64.1 -28.1 -3.6 27.1 26.7 53 54 A E H 3< S+ 0 0 127 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.736 120.9 19.7 -62.5 -26.2 -3.4 23.3 27.1 54 55 A V H << S+ 0 0 11 -3,-1.4 2,-2.3 -4,-0.5 -1,-0.2 0.346 85.9 118.2-126.5 4.7 0.0 23.6 28.7 55 56 A D >< + 0 0 24 -4,-1.2 3,-1.6 1,-0.2 5,-0.1 -0.429 31.7 168.7 -82.1 73.8 0.3 27.3 29.9 56 57 A A T 3 S+ 0 0 97 -2,-2.3 -1,-0.2 1,-0.3 6,-0.1 0.721 75.8 42.3 -54.8 -34.3 0.6 26.6 33.6 57 58 A D T 3 S- 0 0 89 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.366 103.3-129.6-100.7 0.3 1.6 30.1 34.5 58 59 A G < + 0 0 58 -3,-1.6 -2,-0.1 1,-0.1 -3,-0.1 0.645 66.1 130.5 63.1 25.1 -1.0 31.7 32.3 59 60 A N S S- 0 0 86 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.463 74.6-116.2 -94.2 3.3 1.4 34.1 30.6 60 61 A G S S+ 0 0 29 1,-0.2 -32,-0.4 -5,-0.1 2,-0.3 0.426 84.6 82.4 80.6 0.4 0.2 33.3 27.1 61 62 A T S S- 0 0 31 -34,-0.1 2,-0.5 -10,-0.1 -2,-0.3 -0.858 76.9-111.0-130.1 167.2 3.5 31.8 25.9 62 63 A I B -A 26 0A 0 -36,-2.8 -36,-2.7 -2,-0.3 2,-0.1 -0.876 28.0-171.6-104.6 124.4 5.4 28.5 26.2 63 64 A D > - 0 0 44 -2,-0.5 4,-2.6 -38,-0.2 5,-0.2 -0.357 45.0 -83.7 -99.1-177.9 8.5 28.1 28.3 64 65 A F H > S+ 0 0 61 -40,-0.4 4,-2.7 1,-0.2 5,-0.2 0.929 125.9 44.4 -57.2 -52.5 10.8 25.0 28.4 65 66 A P H > S+ 0 0 76 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.897 115.0 49.5 -60.6 -36.8 8.9 23.0 31.0 66 67 A E H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.905 110.4 51.4 -69.3 -35.6 5.6 23.7 29.3 67 68 A F H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.923 108.8 51.0 -66.5 -42.9 7.1 22.7 25.9 68 69 A L H X S+ 0 0 53 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.908 108.6 52.2 -61.0 -36.9 8.3 19.4 27.5 69 70 A T H X S+ 0 0 57 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.916 106.8 52.2 -64.9 -42.8 4.8 18.8 28.7 70 71 A M H X S+ 0 0 19 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.902 112.9 46.2 -54.9 -49.5 3.4 19.4 25.2 71 72 A M H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.895 108.9 53.7 -60.5 -42.9 5.9 16.9 23.9 72 73 A A H X S+ 0 0 63 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.909 109.5 48.1 -64.3 -40.2 5.2 14.3 26.6 73 74 A R H X S+ 0 0 148 -4,-2.2 4,-0.6 2,-0.2 3,-0.4 0.933 113.6 48.7 -64.1 -42.3 1.4 14.4 25.9 74 75 A K H < S+ 0 0 27 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.927 115.2 42.5 -61.5 -45.1 2.2 14.0 22.1 75 76 A M H < S+ 0 0 55 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.615 94.3 89.8 -82.6 -11.2 4.5 11.2 22.5 76 77 A K H < S+ 0 0 146 -4,-1.1 2,-0.4 -3,-0.4 -1,-0.2 0.901 98.7 12.8 -49.8 -61.9 2.3 9.4 25.2 77 78 A D < + 0 0 115 -4,-0.6 3,-0.3 -3,-0.3 -1,-0.2 -0.712 67.9 145.2-132.5 82.4 0.0 7.1 23.1 78 79 A T > + 0 0 23 -2,-0.4 3,-2.0 -3,-0.4 6,-0.3 0.229 34.3 112.7-110.0 11.3 1.1 6.8 19.5 79 80 A D T 3 + 0 0 161 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.686 67.7 66.8 -63.4 -21.9 0.1 3.1 18.8 80 81 A S T 3 S- 0 0 65 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.797 96.1-144.4 -68.3 -21.9 -2.7 4.1 16.3 81 82 A E <> + 0 0 60 -3,-2.0 4,-2.6 1,-0.0 5,-0.3 0.359 66.9 118.6 71.6 1.2 0.3 5.3 14.2 82 83 A E H > S+ 0 0 144 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.942 75.9 40.5 -62.3 -45.5 -1.9 8.1 13.0 83 84 A E H > S+ 0 0 49 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.897 115.8 48.6 -74.4 -41.3 0.4 10.8 14.4 84 85 A I H > S+ 0 0 13 -6,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.912 111.5 50.6 -62.9 -43.1 3.7 9.2 13.4 85 86 A R H X S+ 0 0 110 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.866 108.0 53.4 -64.6 -33.5 2.5 8.5 9.9 86 87 A E H X S+ 0 0 46 -4,-1.7 4,-1.1 -5,-0.3 -1,-0.2 0.935 111.8 45.1 -66.0 -45.8 1.4 12.2 9.6 87 88 A A H >X S+ 0 0 0 -4,-2.2 4,-1.1 1,-0.2 3,-0.5 0.913 111.2 53.2 -64.4 -41.6 4.9 13.3 10.7 88 89 A F H >X S+ 0 0 12 -4,-2.9 4,-3.1 1,-0.2 3,-0.6 0.906 104.9 56.1 -60.9 -40.3 6.5 10.8 8.3 89 90 A R H 3< S+ 0 0 165 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.771 96.7 63.0 -64.7 -26.7 4.4 12.2 5.4 90 91 A V H << S+ 0 0 11 -4,-1.1 -1,-0.3 -3,-0.5 3,-0.2 0.912 115.2 32.7 -58.5 -45.2 5.8 15.7 6.1 91 92 A F H << S+ 0 0 1 -4,-1.1 2,-2.0 -3,-0.6 -2,-0.2 0.913 113.1 60.8 -78.4 -45.4 9.2 14.3 5.2 92 93 A D >< + 0 0 9 -4,-3.1 3,-1.6 1,-0.2 -1,-0.2 -0.464 67.1 166.1 -83.6 73.0 8.1 11.7 2.6 93 94 A K T 3 + 0 0 97 -2,-2.0 -1,-0.2 1,-0.3 6,-0.1 0.773 69.8 49.2 -68.3 -31.7 6.6 14.3 0.3 94 95 A D T 3 S- 0 0 105 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.433 104.0-129.0 -88.8 -0.0 6.2 12.0 -2.8 95 96 A G < + 0 0 59 -3,-1.6 -2,-0.1 -6,-0.2 4,-0.1 0.648 66.6 131.9 68.4 20.5 4.6 9.3 -0.7 96 97 A N S S- 0 0 88 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.427 77.8-107.0 -88.9 1.7 6.9 6.6 -1.9 97 98 A G S S+ 0 0 30 -5,-0.2 40,-0.5 1,-0.1 2,-0.4 0.379 90.5 86.4 94.4 -8.5 7.7 5.2 1.5 98 99 A Y E -B 136 0B 87 38,-0.2 2,-0.7 39,-0.1 -2,-0.3 -0.995 68.2-137.8-131.3 133.0 11.3 6.4 1.8 99 100 A I E -B 135 0B 6 36,-2.9 36,-2.3 -2,-0.4 2,-0.1 -0.824 31.3-157.6 -84.6 111.5 12.6 9.7 3.0 100 101 A S > - 0 0 36 -2,-0.7 4,-2.6 -9,-0.2 5,-0.2 -0.451 30.5-106.8 -81.3 166.1 15.4 10.6 0.6 101 102 A A H > S+ 0 0 22 32,-0.4 4,-2.8 1,-0.2 5,-0.2 0.903 123.5 52.7 -56.5 -46.8 18.3 13.0 1.2 102 103 A A H > S+ 0 0 53 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.872 108.7 50.0 -57.4 -41.9 16.6 15.6 -1.0 103 104 A E H > S+ 0 0 20 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.902 110.7 48.7 -65.1 -40.6 13.4 15.2 1.0 104 105 A L H X S+ 0 0 4 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.919 109.6 52.0 -65.4 -41.7 15.2 15.7 4.3 105 106 A R H X S+ 0 0 95 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.905 106.4 55.4 -60.1 -36.2 17.0 18.7 2.9 106 107 A H H X S+ 0 0 88 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.943 111.4 43.5 -58.6 -52.3 13.5 20.2 1.9 107 108 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.924 113.9 49.0 -65.5 -45.6 12.2 19.9 5.4 108 109 A M H <>S+ 0 0 1 -4,-2.9 5,-2.5 2,-0.2 4,-0.3 0.907 111.6 50.5 -61.5 -37.7 15.4 21.3 7.0 109 110 A T H ><5S+ 0 0 96 -4,-2.7 3,-1.6 -5,-0.2 -2,-0.2 0.941 109.6 50.9 -61.8 -43.1 15.4 24.2 4.6 110 111 A N H 3<5S+ 0 0 64 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.876 106.3 55.0 -62.0 -33.5 11.8 24.9 5.5 111 112 A L T 3<5S- 0 0 1 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.492 121.7-108.8 -79.6 -3.2 12.7 24.8 9.2 112 113 A G T < 5 + 0 0 53 -3,-1.6 2,-0.5 -4,-0.3 -3,-0.2 0.618 69.8 143.2 88.7 12.5 15.3 27.5 8.5 113 114 A E < - 0 0 49 -5,-2.5 2,-0.7 -6,-0.2 -1,-0.3 -0.777 42.2-147.3 -95.9 127.7 18.4 25.3 9.0 114 115 A K + 0 0 199 -2,-0.5 2,-0.3 -5,-0.0 -5,-0.0 -0.843 32.1 164.9 -89.8 117.5 21.4 25.8 6.8 115 116 A L - 0 0 42 -2,-0.7 2,-0.1 -10,-0.1 -6,-0.0 -0.983 31.7-125.8-137.2 147.1 23.1 22.5 6.3 116 117 A T > - 0 0 67 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.442 33.9-107.3 -81.5 166.3 25.7 21.1 3.9 117 118 A D H > S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 123.2 52.3 -57.2 -44.3 25.2 18.0 1.8 118 119 A E H > S+ 0 0 137 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 107.9 50.7 -61.3 -41.4 27.6 16.1 4.2 119 120 A E H > S+ 0 0 54 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.922 112.1 45.5 -63.4 -48.9 25.6 17.2 7.3 120 121 A V H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.920 110.5 54.3 -65.4 -37.8 22.3 16.0 5.8 121 122 A D H X S+ 0 0 61 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.908 106.7 52.5 -60.2 -37.9 24.0 12.7 4.7 122 123 A E H X S+ 0 0 60 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.906 106.5 53.3 -65.9 -40.2 25.1 12.2 8.3 123 124 A M H X S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.926 109.6 47.8 -56.1 -47.6 21.5 12.7 9.4 124 125 A I H >X S+ 0 0 8 -4,-2.5 4,-1.7 1,-0.2 3,-0.6 0.949 108.8 54.3 -59.3 -43.8 20.4 10.0 7.0 125 126 A R H 3< S+ 0 0 166 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.863 102.0 58.9 -58.3 -37.3 23.1 7.7 8.2 126 127 A E H 3< S+ 0 0 61 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.900 117.8 30.3 -59.5 -42.1 21.9 8.2 11.8 127 128 A A H << S+ 0 0 2 -4,-1.2 2,-2.1 -3,-0.6 -1,-0.2 0.619 95.0 99.0 -88.7 -16.7 18.4 6.8 11.0 128 129 A D >< + 0 0 22 -4,-1.7 3,-1.2 1,-0.2 5,-0.1 -0.438 38.7 163.5 -86.7 75.1 19.4 4.4 8.2 129 130 A I T 3 S+ 0 0 125 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.879 75.4 46.5 -57.5 -43.3 19.5 1.1 9.9 130 131 A D T 3 S- 0 0 88 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.500 104.1-127.1 -87.0 -0.2 19.5 -1.0 6.7 131 132 A G < + 0 0 58 -3,-1.2 -2,-0.1 3,-0.1 -3,-0.1 0.571 68.6 128.2 74.8 11.9 22.1 1.1 4.9 132 133 A D S S- 0 0 68 2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.459 78.3-112.2 -81.2 2.3 20.1 1.8 1.8 133 134 A G S S+ 0 0 44 1,-0.3 -32,-0.4 -5,-0.1 2,-0.3 0.620 89.1 76.8 79.5 12.0 20.7 5.5 1.9 134 135 A Q S S- 0 0 58 -34,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.933 77.7-115.3-147.1 164.1 17.1 6.4 2.6 135 136 A V E -B 99 0B 7 -36,-2.3 -36,-2.9 -2,-0.3 -7,-0.1 -0.913 27.8-163.6-114.3 116.7 14.8 6.4 5.7 136 137 A N E > -B 98 0B 36 -2,-0.6 4,-2.3 -38,-0.2 -38,-0.2 -0.281 38.2 -92.9 -89.6-179.2 11.8 4.1 5.8 137 138 A Y H > S+ 0 0 20 -40,-0.5 4,-2.3 2,-0.2 5,-0.2 0.913 124.1 48.0 -64.5 -45.1 8.9 4.3 8.1 138 139 A E H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.897 111.2 51.5 -66.6 -33.3 10.2 1.8 10.6 139 140 A E H > S+ 0 0 7 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.890 109.2 51.1 -67.7 -38.2 13.6 3.6 10.7 140 141 A F H X S+ 0 0 2 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.924 110.0 49.2 -63.7 -42.8 11.7 6.9 11.3 141 142 A V H >X S+ 0 0 19 -4,-2.3 3,-1.7 1,-0.2 4,-1.4 0.927 108.3 54.4 -62.7 -44.7 9.8 5.3 14.2 142 143 A Q H 3< S+ 0 0 81 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.840 96.7 64.8 -65.8 -29.6 13.0 4.0 15.7 143 144 A M H 3< S+ 0 0 13 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.773 107.1 42.7 -58.7 -27.7 14.5 7.4 15.7 144 145 A M H << S+ 0 0 35 -3,-1.7 -1,-0.2 -4,-0.6 -2,-0.2 0.727 131.5 24.5 -87.5 -28.1 11.8 8.5 18.3 145 146 A T < 0 0 95 -4,-1.4 -3,-0.2 0, 0.0 -2,-0.1 0.771 360.0 360.0 -97.4 -95.1 12.2 5.3 20.3 146 147 A A 0 0 96 -5,-0.0 -3,-0.1 0, 0.0 -2,-0.0 0.002 360.0 360.0 45.0 360.0 15.7 3.8 19.7 147 !* 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 0.0 148 1 B S 0 0 174 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.6 30.9 19.5 16.2 149 2 B F - 0 0 61 1,-0.1 2,-0.7 2,-0.0 0, 0.0 -0.160 360.0-148.6 -35.7 125.6 27.5 19.2 14.5 150 3 B N > - 0 0 51 1,-0.2 4,-2.2 2,-0.0 5,-0.1 -0.910 11.6-170.9-111.5 102.8 25.6 16.3 16.0 151 4 B A H > S+ 0 0 0 -2,-0.7 4,-2.5 2,-0.2 5,-0.3 0.818 84.4 55.9 -63.8 -32.7 23.4 14.8 13.2 152 5 B R H > S+ 0 0 120 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.951 110.9 43.6 -71.2 -43.6 21.5 12.6 15.7 153 6 B R H > S+ 0 0 81 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.901 114.0 51.4 -65.1 -40.2 20.5 15.5 17.8 154 7 B K H X S+ 0 0 25 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.940 113.9 42.1 -63.2 -48.8 19.6 17.6 14.7 155 8 B L H X S+ 0 0 9 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.935 115.5 49.7 -67.4 -43.3 17.4 14.9 13.2 156 9 B K H X S+ 0 0 35 -4,-2.7 4,-2.8 -5,-0.3 5,-0.2 0.921 110.3 50.5 -60.1 -45.1 15.7 14.0 16.5 157 10 B G H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.912 112.6 47.3 -58.0 -44.1 15.0 17.6 17.2 158 11 B A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.903 113.0 48.4 -66.7 -39.0 13.4 18.0 13.7 159 12 B I H X S+ 0 0 5 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.923 111.8 48.6 -65.4 -45.9 11.3 14.8 14.1 160 13 B L H X S+ 0 0 16 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.921 111.5 50.7 -61.4 -41.8 10.1 15.9 17.5 161 14 B T H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.934 110.2 49.9 -59.2 -46.3 9.2 19.4 16.1 162 15 B T H X S+ 0 0 1 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.908 107.5 54.0 -64.8 -33.6 7.3 17.7 13.2 163 16 B M H >< S+ 0 0 1 -4,-2.4 3,-0.7 1,-0.3 -1,-0.2 0.919 111.1 45.3 -67.3 -40.0 5.4 15.5 15.6 164 17 B L H 3< S+ 0 0 11 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.830 106.5 58.3 -70.5 -32.4 4.3 18.5 17.6 165 18 B A H 3< S+ 0 0 3 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.674 94.0 95.2 -75.6 -10.9 3.4 20.4 14.4 166 19 B T << 0 0 11 -4,-1.0 -83,-0.1 -3,-0.7 -82,-0.0 -0.286 360.0 360.0 -75.2 149.9 0.9 17.4 13.6 167 20 B A 0 0 112 -2,-0.1 -84,-0.1 -84,-0.1 -1,-0.1 0.960 360.0 360.0 -53.9 360.0 -2.9 17.2 14.4