==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 13-OCT-00 1GGZ . COMPND 2 MOLECULE: CALMODULIN-RELATED PROTEIN NB-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.-G.HAN,M.HAN,H.SUI,P.YASWEN,P.J.WALIAN,B.K.JAP . 144 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9829.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 75.0 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 4.2 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 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 54.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 0 2 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 4 A L 0 0 103 0, 0.0 2,-0.1 0, 0.0 69,-0.0 0.000 360.0 360.0 360.0 157.2 25.7 0.5 18.8 2 5 A T > - 0 0 77 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.373 360.0-110.5 -79.8 162.9 26.7 0.5 22.4 3 6 A E H > S+ 0 0 148 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.917 120.8 54.2 -54.1 -47.1 24.3 -0.2 25.3 4 7 A E H > S+ 0 0 126 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.881 108.5 46.5 -52.2 -50.6 24.7 3.5 26.3 5 8 A Q H > S+ 0 0 56 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.922 109.4 52.8 -63.8 -45.9 23.8 4.8 22.8 6 9 A V H X S+ 0 0 28 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.922 110.1 52.2 -58.1 -36.1 20.8 2.5 22.5 7 10 A T H X S+ 0 0 51 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.937 107.9 47.5 -66.7 -45.5 19.7 4.0 25.9 8 11 A E H X S+ 0 0 103 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.898 113.8 49.5 -61.0 -41.0 20.0 7.6 24.9 9 12 A F H X S+ 0 0 22 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.854 107.9 53.3 -69.7 -36.7 18.1 6.9 21.7 10 13 A K H X S+ 0 0 111 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.892 108.8 50.9 -61.2 -43.4 15.3 5.0 23.7 11 14 A E H X S+ 0 0 99 -4,-2.8 4,-1.0 2,-0.2 -2,-0.2 0.936 111.9 46.3 -59.0 -45.9 15.0 8.1 25.9 12 15 A A H >X S+ 0 0 21 -4,-2.1 4,-1.0 1,-0.2 3,-0.9 0.928 110.1 53.3 -59.5 -46.1 14.7 10.3 22.8 13 16 A F H >X S+ 0 0 13 -4,-2.6 4,-2.4 1,-0.3 3,-0.9 0.906 103.5 58.1 -55.8 -47.8 12.1 8.0 21.3 14 17 A S H 3< S+ 0 0 75 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.783 100.6 57.3 -54.4 -28.4 10.0 8.1 24.5 15 18 A L H << S+ 0 0 113 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.772 111.1 41.6 -76.5 -27.2 9.8 11.9 24.0 16 19 A F H << S+ 0 0 53 -4,-1.0 2,-2.0 -3,-0.9 -2,-0.2 0.847 99.3 74.8 -85.4 -31.5 8.2 11.5 20.6 17 20 A D >< + 0 0 14 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 -0.495 61.9 174.9 -87.5 78.1 5.9 8.6 21.4 18 21 A K T 3 S+ 0 0 112 -2,-2.0 -1,-0.2 1,-0.3 6,-0.1 0.752 75.5 41.5 -58.6 -35.6 3.4 10.6 23.4 19 22 A D T 3 S- 0 0 103 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.454 103.0-127.9 -94.1 4.2 0.9 7.9 23.9 20 23 A G < + 0 0 57 -3,-1.8 -2,-0.1 -6,-0.2 4,-0.1 0.625 66.2 132.8 66.9 17.1 3.5 5.3 24.7 21 24 A D S S- 0 0 95 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.416 78.6-103.2 -86.1 2.6 2.2 2.8 22.2 22 25 A G S S+ 0 0 36 1,-0.2 40,-0.6 -5,-0.1 2,-0.4 0.483 92.4 75.4 95.6 -0.1 5.5 2.0 20.7 23 26 A C E -A 61 0A 20 38,-0.2 2,-0.5 39,-0.1 -2,-0.3 -0.997 69.7-131.3-140.5 154.9 5.3 4.0 17.5 24 27 A I E -A 60 0A 5 36,-2.8 36,-2.3 -2,-0.4 2,-0.2 -0.887 27.0-161.1-101.8 122.3 5.6 7.6 16.5 25 28 A T > - 0 0 40 -2,-0.5 4,-2.7 -9,-0.2 5,-0.2 -0.553 34.8-103.1 -95.1 167.5 2.7 8.8 14.3 26 29 A T H > S+ 0 0 37 32,-0.4 4,-2.5 1,-0.2 5,-0.1 0.870 122.9 54.8 -55.1 -35.9 2.7 11.9 12.1 27 30 A R H > S+ 0 0 182 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.905 107.6 47.7 -66.0 -39.7 0.5 13.6 14.7 28 31 A E H > S+ 0 0 14 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.908 110.6 51.7 -67.0 -38.4 3.0 12.9 17.5 29 32 A L H X S+ 0 0 16 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.923 110.5 50.5 -62.5 -39.0 5.8 14.2 15.2 30 33 A G H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.910 109.4 50.1 -58.7 -45.7 3.6 17.4 14.7 31 34 A T H X S+ 0 0 64 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.940 112.7 46.7 -64.0 -45.7 3.1 17.7 18.4 32 35 A V H X S+ 0 0 14 -4,-2.8 4,-0.9 2,-0.2 -2,-0.2 0.931 113.2 48.2 -59.5 -50.1 6.9 17.4 19.1 33 36 A M H ><>S+ 0 0 33 -4,-3.0 5,-2.7 1,-0.2 3,-1.1 0.929 112.4 48.1 -62.0 -41.3 7.8 19.9 16.3 34 37 A R H ><5S+ 0 0 108 -4,-2.9 3,-1.9 1,-0.3 -1,-0.2 0.895 107.1 57.8 -66.1 -34.1 5.3 22.5 17.5 35 38 A S H 3<5S+ 0 0 84 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.693 103.7 53.3 -66.9 -17.2 6.6 22.1 21.0 36 39 A L T <<5S- 0 0 130 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.293 128.3 -98.5 -95.3 7.9 10.0 23.1 19.7 37 40 A G T < 5S+ 0 0 67 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.593 86.5 123.3 82.9 10.8 8.6 26.3 18.2 38 41 A Q < - 0 0 123 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.0 -0.349 45.0-161.6 -96.3 179.2 8.3 24.9 14.7 39 42 A N + 0 0 134 -2,-0.1 -9,-0.1 -3,-0.1 -5,-0.0 -0.217 16.4 177.0-158.3 64.6 5.2 24.7 12.6 40 43 A P - 0 0 18 0, 0.0 2,-0.1 0, 0.0 -6,-0.1 -0.340 30.9-111.6 -71.6 156.1 5.4 22.2 9.6 41 44 A T > - 0 0 71 1,-0.1 4,-2.4 -2,-0.0 5,-0.2 -0.356 28.4-109.2 -78.1 164.6 2.6 21.4 7.3 42 45 A E H > S+ 0 0 160 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.891 121.4 52.5 -62.6 -40.3 0.9 18.1 7.3 43 46 A A H > S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 109.7 48.8 -58.5 -41.6 2.5 17.3 3.9 44 47 A E H > S+ 0 0 95 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.903 110.1 50.9 -65.1 -43.0 6.0 18.1 5.3 45 48 A L H X S+ 0 0 10 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.913 110.2 49.9 -61.6 -39.7 5.3 15.9 8.4 46 49 A R H X S+ 0 0 133 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.915 111.8 49.5 -63.4 -42.3 4.3 12.9 6.1 47 50 A D H X S+ 0 0 77 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.949 110.2 48.6 -62.3 -41.0 7.4 13.5 4.1 48 51 A M H < S+ 0 0 72 -4,-2.6 4,-0.5 1,-0.2 3,-0.2 0.938 114.5 47.4 -65.8 -45.1 9.7 13.5 7.2 49 52 A M H >X S+ 0 0 9 -4,-2.5 4,-2.4 1,-0.2 3,-1.7 0.901 105.8 58.9 -65.1 -41.5 8.0 10.3 8.4 50 53 A S H 3< S+ 0 0 50 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.831 99.3 57.7 -56.7 -30.6 8.4 8.7 5.0 51 54 A E T 3< S+ 0 0 153 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.695 116.7 32.6 -72.1 -20.7 12.1 9.0 5.1 52 55 A I T <4 S+ 0 0 39 -3,-1.7 2,-2.0 -4,-0.5 -2,-0.2 0.582 92.3 95.9-109.9 -21.5 12.4 7.0 8.4 53 56 A D >< + 0 0 20 -4,-2.4 3,-1.3 1,-0.2 5,-0.2 -0.446 49.9 177.1 -78.6 84.9 9.5 4.6 8.0 54 57 A R T 3 S+ 0 0 148 -2,-2.0 -1,-0.2 1,-0.3 6,-0.1 0.876 74.6 41.9 -59.9 -43.7 11.3 1.7 6.7 55 58 A D T 3 S- 0 0 100 4,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.546 103.3-125.9 -85.7 -2.7 8.5 -0.9 6.4 56 59 A G < + 0 0 58 -3,-1.3 -2,-0.1 3,-0.1 4,-0.1 0.719 68.4 132.1 71.0 21.6 6.0 1.6 5.1 57 60 A N S S- 0 0 96 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.498 78.4-109.5 -86.8 -1.4 3.4 1.0 7.7 58 61 A G S S+ 0 0 38 1,-0.3 -32,-0.4 -5,-0.2 2,-0.3 0.300 89.5 71.8 98.2 -12.3 3.0 4.8 8.2 59 62 A T S S- 0 0 30 -34,-0.1 2,-0.6 -33,-0.1 -2,-0.3 -0.886 75.7-119.3-131.6 169.9 4.5 5.1 11.6 60 63 A V E -A 24 0A 3 -36,-2.3 -36,-2.8 -2,-0.3 2,-0.1 -0.926 26.1-167.9-116.3 118.1 8.0 4.8 13.1 61 64 A D E > -A 23 0A 53 -2,-0.6 4,-2.5 -38,-0.2 5,-0.2 -0.392 41.0 -92.9 -95.2 178.8 8.8 2.2 15.7 62 65 A F H > S+ 0 0 44 -40,-0.6 4,-3.5 1,-0.2 5,-0.3 0.927 123.5 54.0 -65.3 -40.9 11.9 2.0 17.9 63 66 A P H > S+ 0 0 90 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.913 112.6 46.5 -57.6 -42.0 14.0 -0.2 15.5 64 67 A E H > S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.899 112.5 49.2 -65.4 -40.0 13.3 2.3 12.7 65 68 A F H X S+ 0 0 9 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.946 112.2 47.9 -64.6 -43.8 14.2 5.2 14.9 66 69 A L H X S+ 0 0 36 -4,-3.5 4,-2.8 1,-0.2 5,-0.2 0.879 108.5 55.0 -63.8 -38.3 17.4 3.5 16.0 67 70 A G H X S+ 0 0 21 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.913 107.6 50.4 -62.1 -40.9 18.2 2.7 12.3 68 71 A M H X S+ 0 0 24 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.933 113.1 45.8 -61.5 -46.1 17.8 6.5 11.5 69 72 A M H X S+ 0 0 44 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.898 111.1 51.4 -67.6 -41.1 20.2 7.4 14.4 70 73 A A H X S+ 0 0 37 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.924 111.7 47.3 -62.2 -41.1 22.7 4.7 13.5 71 74 A R H X S+ 0 0 110 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.902 111.9 50.4 -72.4 -31.8 22.8 5.9 9.9 72 75 A K H X S+ 0 0 126 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.926 111.9 47.7 -68.5 -46.1 23.2 9.6 11.0 73 76 A M H X S+ 0 0 61 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.900 110.8 51.3 -60.5 -39.1 26.0 8.7 13.3 74 77 A K H X S+ 0 0 112 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.928 109.3 50.7 -67.2 -40.1 27.7 6.7 10.5 75 78 A D H X S+ 0 0 98 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.924 111.1 48.0 -61.6 -44.6 27.4 9.7 8.1 76 79 A T H X S+ 0 0 88 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.924 112.9 49.2 -61.0 -45.5 29.0 12.0 10.7 77 80 A D H X S+ 0 0 83 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.907 109.4 50.5 -64.0 -38.2 31.8 9.4 11.3 78 81 A N H X S+ 0 0 57 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.934 110.6 49.6 -67.0 -38.9 32.6 8.9 7.6 79 82 A E H X S+ 0 0 127 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.919 114.2 46.0 -65.0 -43.2 32.8 12.7 7.2 80 83 A E H X S+ 0 0 68 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.911 109.8 54.1 -66.6 -39.4 35.2 12.9 10.2 81 84 A E H X S+ 0 0 110 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.914 109.5 47.0 -63.4 -40.7 37.2 10.0 9.0 82 85 A I H X S+ 0 0 29 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.927 113.6 49.0 -68.7 -39.2 37.8 11.7 5.6 83 86 A R H X S+ 0 0 73 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.894 111.8 48.9 -65.4 -45.8 38.7 15.1 7.4 84 87 A E H X S+ 0 0 94 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.900 109.5 52.1 -62.4 -39.9 41.1 13.3 9.7 85 88 A A H X S+ 0 0 31 -4,-2.4 4,-2.9 -5,-0.2 5,-0.2 0.912 108.2 51.1 -60.7 -44.2 42.7 11.5 6.8 86 89 A F H X S+ 0 0 11 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.944 109.7 49.8 -58.4 -42.0 43.2 14.8 5.0 87 90 A R H < S+ 0 0 127 -4,-2.4 6,-0.2 1,-0.2 -2,-0.2 0.891 111.5 49.3 -66.8 -34.7 44.9 16.3 8.1 88 91 A V H < S+ 0 0 102 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.931 112.0 47.4 -69.9 -41.5 47.2 13.2 8.3 89 92 A F H < S+ 0 0 37 -4,-2.9 2,-2.1 1,-0.2 -2,-0.2 0.898 100.1 70.5 -64.7 -35.7 48.1 13.5 4.6 90 93 A D >< + 0 0 8 -4,-2.7 3,-2.0 -5,-0.2 -1,-0.2 -0.475 69.2 175.4 -82.6 75.7 48.8 17.3 5.0 91 94 A K T 3 S+ 0 0 155 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.847 73.4 45.0 -60.0 -35.9 51.9 16.6 7.1 92 95 A D T 3 S- 0 0 108 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.485 104.8-127.9 -91.4 5.4 53.0 20.3 7.4 93 96 A G < + 0 0 59 -3,-2.0 -2,-0.1 -6,-0.2 4,-0.1 0.595 67.1 131.8 66.0 18.9 49.5 21.5 8.3 94 97 A N S S- 0 0 79 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.437 79.8-106.8 -83.0 -1.2 49.3 24.2 5.7 95 98 A G S S+ 0 0 30 -5,-0.2 40,-0.5 1,-0.2 2,-0.4 0.426 92.0 85.3 94.2 2.0 45.9 23.1 4.4 96 99 A F E -B 134 0B 78 38,-0.1 2,-0.7 39,-0.1 -2,-0.3 -0.995 69.3-134.8-135.6 139.9 47.2 21.5 1.1 97 100 A V E -B 133 0B 3 36,-3.2 36,-2.7 -2,-0.4 -7,-0.1 -0.841 27.1-157.9 -94.7 117.4 48.6 18.1 0.2 98 101 A S > - 0 0 28 -2,-0.7 4,-2.7 34,-0.2 5,-0.2 -0.430 30.7-106.0 -86.6 166.1 51.7 18.4 -1.9 99 102 A A H > S+ 0 0 28 32,-0.4 4,-2.8 1,-0.2 5,-0.2 0.921 122.7 51.1 -57.9 -42.6 53.1 15.8 -4.2 100 103 A A H > S+ 0 0 78 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.921 111.3 48.4 -62.5 -42.7 55.9 15.1 -1.7 101 104 A E H > S+ 0 0 18 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.917 111.4 49.5 -60.8 -41.8 53.4 14.8 1.1 102 105 A L H X S+ 0 0 13 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.931 110.3 50.0 -66.2 -41.0 51.3 12.4 -0.9 103 106 A R H X S+ 0 0 111 -4,-2.8 4,-1.6 1,-0.2 10,-0.2 0.941 114.4 46.5 -61.2 -43.2 54.3 10.2 -1.9 104 107 A H H X S+ 0 0 89 -4,-2.5 4,-1.3 -5,-0.2 3,-0.2 0.936 112.1 46.8 -66.1 -44.5 55.4 10.0 1.8 105 108 A V H X S+ 0 0 9 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.866 106.5 59.5 -71.3 -29.7 52.0 9.3 3.3 106 109 A M H ><>S+ 0 0 18 -4,-2.3 5,-3.0 -5,-0.2 3,-0.6 0.898 101.0 56.0 -63.4 -33.7 51.3 6.5 0.7 107 110 A T H ><5S+ 0 0 61 -4,-1.6 3,-1.6 1,-0.2 -1,-0.2 0.872 104.2 53.3 -61.8 -36.1 54.4 4.7 1.9 108 111 A R H 3<5S+ 0 0 178 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.794 107.4 51.7 -67.3 -25.1 52.9 4.8 5.4 109 112 A L T <<5S- 0 0 110 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.212 128.4-100.4 -89.9 2.4 49.8 3.1 4.0 110 113 A G T < 5S+ 0 0 68 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.611 84.7 121.2 91.7 12.0 52.0 0.5 2.4 111 114 A E < - 0 0 99 -5,-3.0 2,-0.9 -6,-0.2 -1,-0.2 -0.932 44.2-162.0-113.2 118.5 52.1 1.8 -1.2 112 115 A K + 0 0 197 -2,-0.5 2,-0.3 -5,-0.1 -8,-0.1 -0.830 23.0 176.5 -99.2 105.5 55.5 2.6 -2.8 113 116 A L - 0 0 27 -2,-0.9 -6,-0.1 -10,-0.2 2,-0.1 -0.809 28.0-116.3-111.6 149.8 54.7 4.8 -5.7 114 117 A S > - 0 0 47 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.316 31.4-108.5 -76.8 163.5 57.1 6.6 -8.1 115 118 A D H > S+ 0 0 97 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.915 121.5 53.3 -61.4 -36.0 57.3 10.4 -8.3 116 119 A E H > S+ 0 0 127 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.901 108.0 48.9 -66.8 -43.1 55.5 10.2 -11.7 117 120 A E H > S+ 0 0 91 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.891 113.0 46.8 -61.5 -40.5 52.7 8.1 -10.3 118 121 A V H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.900 110.4 53.0 -67.9 -42.3 52.1 10.5 -7.4 119 122 A D H X S+ 0 0 68 -4,-2.6 4,-3.0 -5,-0.2 -2,-0.2 0.891 108.0 51.5 -60.6 -37.6 52.3 13.5 -9.8 120 123 A E H X S+ 0 0 95 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.887 109.6 50.2 -61.6 -41.2 49.6 11.8 -12.0 121 124 A M H X S+ 0 0 75 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.895 111.0 49.1 -62.4 -46.1 47.4 11.4 -8.8 122 125 A I H X S+ 0 0 8 -4,-2.3 4,-2.2 1,-0.2 3,-0.2 0.949 112.5 47.2 -57.6 -51.4 48.0 15.1 -7.9 123 126 A R H < S+ 0 0 154 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.873 109.9 53.0 -65.5 -36.4 47.0 16.2 -11.5 124 127 A A H < S+ 0 0 82 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.852 119.9 33.9 -61.4 -36.3 43.9 14.0 -11.5 125 128 A A H < S+ 0 0 13 -4,-1.8 2,-1.8 -3,-0.2 -1,-0.2 0.646 94.1 93.7 -95.6 -14.8 42.6 15.5 -8.2 126 129 A D >< + 0 0 23 -4,-2.2 3,-1.3 -5,-0.2 5,-0.2 -0.486 43.5 165.7 -82.3 80.7 43.9 19.0 -8.6 127 130 A T T 3 S+ 0 0 77 -2,-1.8 -1,-0.2 1,-0.3 6,-0.1 0.495 71.8 50.0 -81.8 -2.9 40.8 20.8 -10.1 128 131 A D T 3 S- 0 0 88 4,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.316 104.0-123.3-111.3 0.4 42.0 24.4 -9.6 129 132 A G S < S+ 0 0 64 -3,-1.3 -2,-0.1 -6,-0.1 -3,-0.1 0.597 72.7 125.0 75.6 16.6 45.5 24.0 -11.1 130 133 A D S S- 0 0 79 2,-0.3 3,-0.1 1,-0.0 -1,-0.1 0.514 78.6-116.9 -87.8 0.1 47.5 25.1 -8.1 131 134 A G S S+ 0 0 42 1,-0.3 -32,-0.4 -5,-0.2 2,-0.3 0.473 85.7 85.7 81.3 4.1 49.6 21.9 -8.1 132 135 A Q S S- 0 0 61 -34,-0.1 2,-0.7 -10,-0.1 -2,-0.3 -0.918 78.4-116.6-129.9 163.1 48.3 20.8 -4.7 133 136 A V E -B 97 0B 8 -36,-2.7 -36,-3.2 -2,-0.3 2,-0.1 -0.886 30.3-161.7-104.6 117.4 45.3 18.9 -3.4 134 137 A N E > -B 96 0B 25 -2,-0.7 4,-2.6 -38,-0.2 5,-0.2 -0.310 35.3 -94.2 -88.5 174.8 43.1 21.0 -1.1 135 138 A Y H > S+ 0 0 101 -40,-0.5 4,-2.7 2,-0.2 5,-0.2 0.958 124.0 45.4 -60.6 -47.0 40.5 19.5 1.3 136 139 A E H > S+ 0 0 83 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.919 112.5 52.8 -66.1 -33.8 37.5 19.7 -1.0 137 140 A E H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.907 110.6 49.1 -64.1 -40.5 39.5 18.3 -3.9 138 141 A F H X S+ 0 0 29 -4,-2.6 4,-2.2 1,-0.2 3,-0.3 0.920 108.2 52.3 -66.6 -45.1 40.5 15.4 -1.6 139 142 A V H X S+ 0 0 39 -4,-2.7 4,-0.8 1,-0.2 5,-0.3 0.906 103.1 59.8 -58.0 -41.1 36.9 14.8 -0.6 140 143 A R H >X S+ 0 0 137 -4,-2.4 4,-1.3 1,-0.2 3,-0.6 0.909 108.8 43.2 -55.2 -43.6 35.9 14.6 -4.3 141 144 A V H 3< S+ 0 0 82 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.903 111.6 52.7 -66.6 -44.8 38.1 11.7 -4.9 142 145 A L H 3< S+ 0 0 95 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.408 113.0 45.7 -71.6 -2.9 37.2 9.8 -1.7 143 146 A V H << 0 0 104 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.637 360.0 360.0-110.8 -26.0 33.6 10.1 -2.5 144 147 A S < 0 0 130 -4,-1.3 -3,-0.0 -5,-0.3 -4,-0.0 -0.313 360.0 360.0 -60.8 360.0 33.7 9.0 -6.1