==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN/PROTEIN BINDING 14-JUN-01 1IQ5 . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS; . AUTHOR H.KUROKAWA,M.OSAWA,H.KURIHARA,N.KATAYAMA,H.TOKUMITSU, . 168 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8913.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 67.3 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 . 12 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 47.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 3 2 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 4 A L 0 0 185 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 122.4 1.3 25.2 -3.2 2 5 A T > - 0 0 61 1,-0.1 4,-1.7 0, 0.0 5,-0.1 -0.771 360.0-120.0-117.9 164.8 5.0 25.0 -4.2 3 6 A E H > S+ 0 0 160 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.879 113.9 54.6 -67.5 -39.1 7.3 22.2 -5.2 4 7 A E H > S+ 0 0 130 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.787 106.4 53.1 -65.8 -29.1 9.8 23.0 -2.3 5 8 A Q H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.943 108.4 48.1 -69.7 -50.6 6.9 22.8 0.2 6 9 A I H X S+ 0 0 58 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.910 110.4 52.8 -56.1 -45.7 5.9 19.3 -1.0 7 10 A A H X S+ 0 0 55 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.898 107.8 51.0 -58.5 -43.4 9.5 18.2 -0.8 8 11 A E H X S+ 0 0 30 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.924 112.6 45.2 -60.8 -46.0 9.7 19.4 2.8 9 12 A F H X S+ 0 0 24 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.870 110.1 56.7 -65.8 -36.3 6.6 17.6 3.8 10 13 A K H X S+ 0 0 124 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.937 109.3 43.9 -60.6 -48.5 7.8 14.5 2.0 11 14 A E H X S+ 0 0 82 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.830 111.1 54.3 -69.5 -29.7 11.0 14.4 4.0 12 15 A A H X S+ 0 0 5 -4,-1.9 4,-0.9 -5,-0.2 3,-0.5 0.964 112.5 44.2 -65.9 -48.0 9.2 15.1 7.3 13 16 A F H >X S+ 0 0 12 -4,-2.6 4,-2.9 1,-0.2 3,-0.8 0.905 109.8 56.6 -60.7 -42.4 7.0 12.1 6.5 14 17 A S H 3< S+ 0 0 64 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.792 94.8 66.3 -60.1 -31.6 10.0 10.0 5.4 15 18 A L H 3< S+ 0 0 27 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.899 115.1 29.0 -58.4 -39.8 11.7 10.5 8.8 16 19 A F H << S+ 0 0 1 -4,-0.9 2,-2.5 -3,-0.8 9,-0.2 0.877 105.6 75.2 -87.6 -43.3 8.9 8.5 10.4 17 20 A D >< + 0 0 12 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 -0.431 63.2 172.8 -72.6 74.8 7.9 6.2 7.5 18 21 A K T 3 S+ 0 0 113 -2,-2.5 -1,-0.2 1,-0.3 6,-0.1 0.875 73.8 38.2 -52.9 -51.5 11.0 4.0 8.0 19 22 A D T 3 S- 0 0 106 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.456 105.0-126.8 -84.6 2.5 10.2 1.2 5.5 20 23 A G < + 0 0 54 -3,-1.1 -2,-0.1 -6,-0.2 4,-0.1 0.790 64.3 138.7 59.7 30.8 8.7 3.7 3.1 21 24 A D S S- 0 0 89 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.370 76.1-105.5 -88.3 8.7 5.5 1.8 2.8 22 25 A G S S+ 0 0 34 1,-0.2 40,-0.6 -5,-0.1 2,-0.3 0.516 91.6 85.8 85.8 3.7 3.4 5.0 2.8 23 26 A T E -A 61 0A 30 38,-0.2 2,-0.5 39,-0.1 -2,-0.3 -0.972 66.7-137.6-136.6 150.6 2.1 4.6 6.4 24 27 A I E -A 60 0A 0 36,-2.0 36,-2.1 -2,-0.3 2,-0.2 -0.945 25.4-161.0-108.4 126.1 3.5 5.5 9.8 25 28 A T > - 0 0 39 -2,-0.5 4,-2.6 -9,-0.2 5,-0.2 -0.624 33.1-110.8-103.3 164.5 3.0 2.9 12.5 26 29 A T H > S+ 0 0 26 32,-0.3 4,-2.5 1,-0.2 5,-0.1 0.873 121.1 55.5 -60.2 -33.9 3.0 3.1 16.2 27 30 A K H > S+ 0 0 155 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.925 107.9 45.9 -64.0 -46.0 6.2 1.1 16.1 28 31 A E H > S+ 0 0 15 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.910 111.7 52.0 -64.4 -42.0 7.9 3.5 13.7 29 32 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.952 106.5 55.2 -57.9 -47.9 6.8 6.5 15.8 30 33 A G H X S+ 0 0 4 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.851 103.2 55.4 -53.5 -39.2 8.3 4.7 18.9 31 34 A T H X S+ 0 0 48 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.942 110.7 43.1 -61.3 -49.3 11.7 4.5 17.2 32 35 A V H X S+ 0 0 2 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.886 114.5 51.9 -65.2 -38.2 11.9 8.2 16.5 33 36 A M H ><>S+ 0 0 0 -4,-2.5 5,-1.1 1,-0.2 3,-0.6 0.935 109.8 48.0 -64.0 -46.8 10.6 9.0 20.0 34 37 A R H ><5S+ 0 0 146 -4,-2.7 3,-2.2 1,-0.2 -1,-0.2 0.912 107.0 55.5 -61.4 -44.5 13.2 6.8 21.7 35 38 A S H 3<5S+ 0 0 50 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.782 103.6 57.2 -60.4 -24.6 16.0 8.2 19.7 36 39 A L T <<5S- 0 0 9 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.306 124.6-103.1 -88.6 8.5 15.0 11.7 21.0 37 40 A G T < 5S+ 0 0 42 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.1 0.033 83.5 125.0 95.4 -28.5 15.3 10.6 24.5 38 41 A Q < - 0 0 47 -5,-1.1 -1,-0.3 -6,-0.2 -2,-0.1 -0.119 44.2-160.6 -62.0 162.0 11.6 10.2 25.2 39 42 A N + 0 0 137 -3,-0.1 -1,-0.1 2,-0.0 -5,-0.0 -0.477 15.6 179.1-145.6 69.8 10.2 6.9 26.4 40 43 A P - 0 0 20 0, 0.0 2,-0.1 0, 0.0 -6,-0.0 -0.306 26.4-120.7 -75.3 158.5 6.4 6.6 25.7 41 44 A T > - 0 0 79 1,-0.1 4,-2.1 -2,-0.0 5,-0.2 -0.433 32.6-103.5 -86.0 168.9 4.3 3.6 26.7 42 45 A E H > S+ 0 0 114 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.893 123.5 53.6 -62.2 -39.0 2.4 1.7 23.9 43 46 A A H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.900 108.5 49.5 -62.4 -40.4 -0.8 3.4 25.0 44 47 A E H > S+ 0 0 61 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.904 111.4 48.6 -64.9 -42.7 0.8 6.8 24.6 45 48 A L H X S+ 0 0 9 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.899 111.8 48.5 -64.6 -42.1 2.1 6.0 21.2 46 49 A Q H X S+ 0 0 62 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.855 108.5 55.4 -67.2 -33.1 -1.3 4.7 20.0 47 50 A D H X S+ 0 0 102 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.903 105.3 52.6 -63.9 -42.4 -2.9 7.8 21.4 48 51 A M H < S+ 0 0 6 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.887 112.4 45.1 -60.2 -41.5 -0.5 9.9 19.3 49 52 A I H >X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 3,-1.6 0.951 108.0 57.5 -67.9 -50.2 -1.6 8.0 16.2 50 53 A N H 3< S+ 0 0 84 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.807 98.7 58.3 -52.2 -37.0 -5.3 8.1 17.0 51 54 A E T 3< S+ 0 0 86 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.756 118.1 31.9 -69.3 -20.4 -5.5 11.9 17.1 52 55 A V T <4 S+ 0 0 13 -3,-1.6 2,-2.1 -4,-0.5 -2,-0.2 0.558 92.7 100.8-107.3 -15.9 -4.2 12.2 13.5 53 56 A D >< + 0 0 14 -4,-1.8 3,-1.8 1,-0.2 5,-0.1 -0.445 45.8 174.0 -75.3 73.1 -5.8 8.9 12.2 54 57 A A T 3 S+ 0 0 88 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.844 78.2 41.2 -49.4 -47.8 -8.8 10.4 10.4 55 58 A D T 3 S- 0 0 91 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.384 103.1-132.8 -86.0 6.1 -10.0 7.1 8.8 56 59 A G < + 0 0 56 -3,-1.8 -2,-0.1 -6,-0.1 4,-0.1 0.696 62.8 133.7 51.7 29.5 -9.3 5.2 12.0 57 60 A N S S- 0 0 97 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.479 77.8-103.6 -87.4 -1.2 -7.5 2.3 10.3 58 61 A G S S+ 0 0 26 1,-0.2 -32,-0.3 -5,-0.1 2,-0.3 0.300 91.2 67.9 102.9 -12.4 -4.6 2.3 12.7 59 62 A T S S- 0 0 32 -34,-0.1 2,-0.5 -10,-0.1 -2,-0.3 -0.903 76.2-114.6-135.5 165.3 -1.8 4.0 10.8 60 63 A I E -A 24 0A 0 -36,-2.1 -36,-2.0 -2,-0.3 2,-0.2 -0.899 30.0-169.0-104.5 124.7 -1.1 7.5 9.4 61 64 A D E > -A 23 0A 44 -2,-0.5 4,-2.2 -38,-0.2 5,-0.2 -0.483 39.1 -92.3-101.5 177.4 -0.9 8.0 5.6 62 65 A F H > S+ 0 0 61 -40,-0.6 4,-3.1 1,-0.2 5,-0.2 0.900 121.4 50.2 -57.3 -49.2 0.3 11.0 3.7 63 66 A P H > S+ 0 0 79 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.922 113.2 46.9 -57.0 -43.8 -3.0 12.9 3.3 64 67 A E H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.899 112.7 50.8 -63.8 -39.3 -3.7 12.5 7.0 65 68 A F H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.936 111.5 47.2 -62.5 -47.6 -0.2 13.7 7.7 66 69 A L H X S+ 0 0 58 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.888 110.6 51.8 -61.9 -41.7 -0.7 16.7 5.4 67 70 A T H X S+ 0 0 63 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.897 106.9 53.9 -62.7 -40.8 -4.0 17.6 7.0 68 71 A M H X S+ 0 0 10 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.941 108.8 49.4 -57.6 -48.3 -2.4 17.5 10.4 69 72 A M H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.919 108.5 52.1 -57.1 -47.4 0.2 20.0 9.2 70 73 A A H < S+ 0 0 56 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.891 112.3 46.4 -57.2 -42.0 -2.5 22.3 7.8 71 74 A R H >X S+ 0 0 153 -4,-2.2 4,-1.0 1,-0.2 3,-0.7 0.859 110.9 52.0 -69.3 -36.2 -4.3 22.3 11.1 72 75 A K H 3< S+ 0 0 7 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.791 102.4 59.6 -70.8 -28.3 -1.0 22.8 13.1 73 76 A M T 3< S+ 0 0 57 -4,-2.0 -1,-0.2 1,-0.2 3,-0.2 0.661 98.7 61.0 -72.6 -16.6 -0.2 25.8 10.9 74 77 A K T <4 S+ 0 0 128 -3,-0.7 2,-0.4 -4,-0.4 -1,-0.2 0.888 120.7 13.3 -76.0 -43.5 -3.5 27.4 12.1 75 78 A D < + 0 0 94 -4,-1.0 -1,-0.3 1,-0.1 3,-0.1 -0.950 54.9 144.1-143.2 118.9 -2.4 27.4 15.8 76 79 A T + 0 0 20 -2,-0.4 2,-0.7 -3,-0.2 -1,-0.1 0.123 64.0 91.3-128.6 5.5 1.1 26.9 17.1 77 80 A D + 0 0 103 4,-0.1 3,-0.1 1,-0.1 -1,-0.0 -0.812 41.6 101.2-116.1 97.2 0.4 29.4 19.8 78 81 A S S S- 0 0 53 -2,-0.7 -1,-0.1 -3,-0.1 -2,-0.1 0.398 76.1-114.8-123.9 -87.3 -1.0 28.3 23.1 79 82 A E S > S+ 0 0 121 -3,-0.0 4,-4.2 0, 0.0 5,-0.2 -0.268 116.2 56.2 175.0 -51.6 1.4 28.1 25.9 80 83 A E H > S+ 0 0 139 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.785 107.6 50.8 -67.4 -30.9 1.1 24.4 26.3 81 84 A E H > S+ 0 0 34 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.952 115.5 41.0 -72.2 -49.8 2.0 24.1 22.6 82 85 A I H > S+ 0 0 3 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.917 115.9 50.0 -64.0 -43.7 5.1 26.3 23.1 83 86 A R H X S+ 0 0 135 -4,-4.2 4,-2.4 1,-0.2 -1,-0.2 0.929 109.7 52.6 -60.5 -43.0 5.9 24.6 26.4 84 87 A E H X S+ 0 0 33 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.921 111.1 46.3 -58.1 -45.9 5.6 21.2 24.6 85 88 A A H >X S+ 0 0 2 -4,-2.3 3,-1.4 1,-0.2 4,-1.1 0.943 111.0 51.1 -62.5 -49.2 8.0 22.3 21.9 86 89 A F H 3X S+ 0 0 9 -4,-2.8 4,-2.4 1,-0.3 3,-0.3 0.871 104.2 59.7 -56.9 -38.1 10.5 23.7 24.4 87 90 A R H 3< S+ 0 0 134 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.720 96.9 60.5 -64.2 -23.4 10.4 20.4 26.3 88 91 A V H << S+ 0 0 8 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.2 0.930 111.6 38.8 -69.3 -44.6 11.6 18.6 23.2 89 92 A F H < S+ 0 0 0 -4,-1.1 2,-3.0 -3,-0.3 -2,-0.2 0.972 100.4 73.8 -66.9 -58.5 14.8 20.6 23.2 90 93 A D < + 0 0 17 -4,-2.4 -1,-0.2 1,-0.2 7,-0.1 -0.312 63.1 170.1 -59.8 74.4 15.4 20.7 26.9 91 94 A K S S+ 0 0 120 -2,-3.0 -1,-0.2 1,-0.2 -2,-0.1 0.944 77.1 33.9 -55.0 -56.0 16.4 17.1 27.0 92 95 A D S S- 0 0 108 -3,-0.2 -1,-0.2 1,-0.0 -2,-0.1 0.645 105.2-131.2 -76.8 -15.6 17.7 17.1 30.6 93 96 A G + 0 0 52 3,-0.2 -2,-0.1 -6,-0.1 -3,-0.1 0.754 60.4 138.2 73.0 27.9 15.1 19.6 31.7 94 97 A N S S- 0 0 88 2,-0.3 3,-0.1 1,-0.0 -1,-0.1 0.426 78.7 -99.2 -84.1 2.4 17.2 22.1 33.5 95 98 A G S S+ 0 0 27 1,-0.2 40,-0.8 -5,-0.1 2,-0.3 0.395 93.6 79.9 99.9 -4.0 15.4 25.1 31.9 96 99 A Y E -B 134 0B 87 38,-0.2 2,-0.6 39,-0.1 -2,-0.3 -0.955 68.6-131.2-136.0 154.3 17.8 26.0 29.1 97 100 A I E -B 133 0B 0 36,-1.7 36,-1.5 -2,-0.3 2,-0.2 -0.930 28.2-160.9-104.8 123.5 18.6 24.8 25.6 98 101 A S > - 0 0 27 -2,-0.6 4,-2.6 34,-0.2 3,-0.2 -0.624 32.0-110.4 -99.9 163.5 22.3 24.3 25.1 99 102 A A H > S+ 0 0 25 32,-0.4 4,-2.3 1,-0.2 5,-0.2 0.852 120.4 54.8 -59.2 -34.6 24.1 24.1 21.7 100 103 A A H > S+ 0 0 62 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.873 110.5 44.2 -66.8 -39.1 24.7 20.4 22.5 101 104 A E H > S+ 0 0 22 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.870 112.2 51.9 -73.0 -40.4 21.0 19.7 23.0 102 105 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.930 111.6 47.7 -62.0 -44.9 20.0 21.7 20.0 103 106 A R H X S+ 0 0 86 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.909 112.3 48.8 -63.9 -42.7 22.4 19.7 17.8 104 107 A H H X S+ 0 0 87 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.914 112.3 47.6 -64.7 -43.4 21.3 16.4 19.2 105 108 A V H X S+ 0 0 2 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.928 113.6 47.3 -63.6 -46.1 17.6 17.1 18.7 106 109 A M H <>S+ 0 0 0 -4,-2.3 5,-3.4 -5,-0.2 3,-0.4 0.839 109.1 54.2 -65.8 -35.2 18.1 18.4 15.2 107 110 A T H ><5S+ 0 0 84 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.930 108.6 47.5 -66.7 -44.3 20.3 15.4 14.1 108 111 A N H 3<5S+ 0 0 50 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.589 109.1 55.3 -73.8 -8.8 17.7 12.8 15.2 109 112 A L T 3<5S- 0 0 1 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.154 124.0-104.5-105.6 15.1 15.0 14.8 13.4 110 113 A G T < 5S+ 0 0 45 -3,-1.5 2,-0.6 1,-0.2 -3,-0.2 0.680 79.3 129.4 73.5 21.7 17.0 14.6 10.2 111 114 A E < - 0 0 17 -5,-3.4 2,-0.8 -6,-0.1 -1,-0.2 -0.920 45.8-151.7-113.3 113.3 18.3 18.2 10.1 112 115 A K - 0 0 68 -2,-0.6 2,-0.4 -3,-0.1 -5,-0.1 -0.726 18.7-178.7 -85.9 112.3 22.0 18.6 9.6 113 116 A L - 0 0 24 -2,-0.8 2,-0.2 -10,-0.2 47,-0.0 -0.903 23.9-126.3-112.3 139.4 23.3 21.8 11.2 114 117 A T >> - 0 0 69 -2,-0.4 4,-2.7 1,-0.1 3,-0.7 -0.502 29.0-111.5 -78.4 151.2 26.9 23.1 11.1 115 118 A D H 3> S+ 0 0 106 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.917 123.3 50.9 -46.7 -46.4 28.5 23.9 14.4 116 119 A E H 3> S+ 0 0 145 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.850 108.6 50.4 -62.2 -35.4 28.4 27.5 13.2 117 120 A E H <> S+ 0 0 49 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.875 108.6 52.7 -70.8 -36.6 24.7 27.2 12.4 118 121 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.961 110.9 47.0 -61.3 -50.8 24.0 25.8 15.8 119 122 A D H X S+ 0 0 85 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.892 112.7 48.3 -59.0 -43.9 25.7 28.7 17.5 120 123 A E H X S+ 0 0 94 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.855 108.2 54.5 -66.8 -35.3 24.0 31.3 15.4 121 124 A M H X S+ 0 0 4 -4,-2.1 4,-0.8 2,-0.2 43,-0.3 0.923 113.2 43.3 -63.2 -43.8 20.6 29.8 16.1 122 125 A I H >X S+ 0 0 8 -4,-2.1 4,-2.1 1,-0.2 3,-0.7 0.921 111.8 54.3 -66.0 -45.9 21.3 30.0 19.8 123 126 A R H 3< S+ 0 0 154 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.854 101.0 58.3 -59.1 -39.0 22.7 33.5 19.6 124 127 A E H 3< S+ 0 0 67 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.836 117.1 33.5 -61.8 -33.3 19.7 35.0 17.8 125 128 A A H << S+ 0 0 1 -4,-0.8 2,-1.1 -3,-0.7 -1,-0.2 0.663 90.1 103.3 -96.0 -21.6 17.4 33.9 20.7 126 129 A D >< + 0 0 22 -4,-2.1 3,-0.5 1,-0.2 7,-0.1 -0.503 42.5 173.4 -66.9 98.7 19.9 34.4 23.5 127 130 A I T 3 S+ 0 0 109 -2,-1.1 -1,-0.2 1,-0.2 6,-0.1 0.815 77.4 41.1 -78.5 -31.5 18.6 37.7 24.9 128 131 A D T 3 S- 0 0 89 4,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.122 102.6-126.0-104.2 21.0 20.9 37.7 28.0 129 132 A G < + 0 0 63 -3,-0.5 -2,-0.1 1,-0.2 -3,-0.1 0.643 69.7 130.5 45.0 24.2 24.0 36.5 26.2 130 133 A D S S- 0 0 75 2,-0.3 -1,-0.2 1,-0.0 3,-0.1 0.496 80.0-110.8 -82.3 -1.4 24.6 33.6 28.6 131 134 A G S S+ 0 0 43 1,-0.3 -32,-0.4 -9,-0.1 2,-0.3 0.585 87.5 78.0 85.0 11.3 24.9 31.2 25.7 132 135 A Q S S- 0 0 57 -34,-0.1 2,-0.5 -10,-0.1 -1,-0.3 -0.864 74.1-119.5-140.5 173.2 21.7 29.3 26.2 133 136 A V E -B 97 0B 0 -36,-1.5 -36,-1.7 -2,-0.3 2,-0.1 -0.956 25.9-166.3-124.3 112.6 18.0 29.7 25.6 134 137 A N E > -B 96 0B 27 -2,-0.5 4,-2.4 -38,-0.2 3,-0.4 -0.414 41.5 -93.2 -89.2 170.6 15.6 29.7 28.5 135 138 A Y H > S+ 0 0 64 -40,-0.8 4,-3.5 1,-0.2 5,-0.2 0.906 123.4 54.0 -49.4 -50.1 11.9 29.3 28.3 136 139 A E H > S+ 0 0 144 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.879 111.1 43.8 -53.2 -47.1 11.3 33.1 28.3 137 140 A E H > S+ 0 0 9 -3,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.875 114.6 52.5 -67.3 -36.3 13.6 33.7 25.4 138 141 A F H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 3,-0.5 0.949 110.5 46.0 -62.8 -50.7 12.1 30.7 23.6 139 142 A V H X S+ 0 0 25 -4,-3.5 4,-3.6 1,-0.2 -2,-0.2 0.897 108.7 56.4 -59.1 -43.4 8.6 32.0 24.1 140 143 A Q H < S+ 0 0 104 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.806 108.4 47.7 -60.1 -32.0 9.6 35.5 22.9 141 144 A M H < S+ 0 0 51 -4,-1.4 3,-0.4 -3,-0.5 25,-0.3 0.854 117.2 42.3 -77.1 -36.8 10.9 34.1 19.7 142 145 A M H < S+ 0 0 18 -4,-1.8 2,-1.9 23,-0.2 24,-0.4 0.935 107.7 59.3 -73.8 -50.1 7.8 32.1 19.1 143 146 A T < 0 0 63 -4,-3.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.256 360.0 360.0 -78.4 51.1 5.3 34.7 20.1 144 147 A A 0 0 118 -2,-1.9 -1,-0.2 -3,-0.4 22,-0.0 -0.319 360.0 360.0 173.5 360.0 6.4 37.2 17.5 145 !* 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 0.0 146 334 B I 0 0 91 0, 0.0 2,-0.1 0, 0.0 -62,-0.0 0.000 360.0 360.0 360.0 152.3 4.6 13.5 25.9 147 335 B P - 0 0 6 0, 0.0 2,-0.1 0, 0.0 -66,-0.0 -0.454 360.0-112.0 -84.6 158.7 4.8 15.7 22.8 148 336 B R > - 0 0 81 -2,-0.1 4,-1.3 1,-0.1 3,-0.5 -0.458 25.2-113.4 -85.4 161.5 2.4 15.5 19.9 149 337 B L H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.912 118.6 54.3 -60.2 -41.9 3.4 14.4 16.4 150 338 B D H > S+ 0 0 13 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.761 101.4 58.5 -66.2 -23.9 2.8 17.8 15.1 151 339 B T H > S+ 0 0 1 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.874 104.1 52.2 -71.3 -35.2 5.1 19.3 17.7 152 340 B L H X S+ 0 0 2 -4,-1.3 4,-2.1 -3,-0.4 -2,-0.2 0.895 110.2 47.5 -66.2 -40.0 7.9 17.1 16.3 153 341 B I H X S+ 0 0 8 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.848 109.3 54.6 -69.5 -34.1 7.2 18.4 12.8 154 342 B L H X S+ 0 0 2 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.931 110.2 46.2 -63.7 -45.1 7.1 22.0 14.1 155 343 B V H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.903 110.3 52.6 -64.6 -42.7 10.6 21.5 15.7 156 344 B K H X S+ 0 0 11 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.910 107.1 53.4 -59.9 -41.7 12.0 19.9 12.5 157 345 B A H X S+ 0 0 2 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.852 106.8 51.7 -62.1 -36.7 10.8 22.9 10.5 158 346 B M H X>S+ 0 0 0 -4,-1.5 5,-1.8 2,-0.2 4,-0.6 0.900 110.3 48.4 -66.4 -42.7 12.6 25.3 12.9 159 347 B G H <5S+ 0 0 0 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.876 109.7 53.7 -64.1 -36.1 15.8 23.2 12.4 160 348 B H H <5S+ 0 0 68 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.850 111.0 44.1 -65.8 -36.3 15.1 23.4 8.7 161 349 B R H <5S- 0 0 80 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.510 105.0-134.0 -84.4 -7.4 14.9 27.2 8.8 162 350 B K T <5S+ 0 0 79 -4,-0.6 2,-0.3 -3,-0.4 -3,-0.2 0.805 74.5 95.9 56.4 30.4 18.0 27.2 11.0 163 351 B R S