==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 25-APR-02 1LKJ . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR H.ISHIDA,K.NAKASHIMA,Y.KUMAKI,M.NAKATA,K.HIKICHI,M.YAZAWA . 146 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10673.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 63.0 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 . 8 5.5 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 . 1 0.7 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 . 6 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 49.3 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 1 0 0 5 1 0 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 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 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 S 0 0 166 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.8 -13.4 3.7 -21.5 2 2 A S + 0 0 113 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.836 360.0 140.4-146.9 106.4 -11.8 3.1 -18.1 3 3 A N - 0 0 136 -2,-0.3 67,-0.0 1,-0.2 0, 0.0 -0.763 55.6 -61.1-134.6-178.2 -10.1 5.8 -16.0 4 4 A L - 0 0 32 -2,-0.2 2,-0.2 1,-0.1 -1,-0.2 -0.117 54.3-124.8 -60.1 164.9 -9.8 6.9 -12.4 5 5 A T > - 0 0 78 1,-0.1 4,-3.4 0, 0.0 5,-0.3 -0.640 23.9-102.1-109.3 170.1 -13.0 8.0 -10.6 6 6 A E H > S+ 0 0 163 1,-0.2 4,-2.2 -2,-0.2 5,-0.2 0.919 123.2 50.9 -58.1 -41.6 -13.8 11.3 -8.7 7 7 A E H > S+ 0 0 154 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.949 115.1 41.7 -62.9 -46.1 -13.2 9.5 -5.4 8 8 A Q H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.942 116.7 47.6 -67.6 -45.2 -9.8 8.2 -6.4 9 9 A I H X S+ 0 0 37 -4,-3.4 4,-1.8 1,-0.2 -1,-0.2 0.834 108.6 57.2 -66.0 -28.6 -8.8 11.5 -8.2 10 10 A A H X S+ 0 0 44 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.918 105.9 48.6 -69.4 -40.8 -10.0 13.4 -5.1 11 11 A E H X S+ 0 0 101 -4,-1.7 4,-1.9 1,-0.2 5,-0.3 0.950 112.0 47.9 -65.2 -46.8 -7.6 11.5 -2.8 12 12 A F H X S+ 0 0 6 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.894 107.9 57.0 -62.4 -36.7 -4.6 12.0 -5.0 13 13 A K H X S+ 0 0 118 -4,-1.8 4,-2.8 -5,-0.2 5,-0.3 0.915 106.1 49.7 -62.1 -40.3 -5.4 15.7 -5.3 14 14 A E H X S+ 0 0 129 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.949 116.7 39.9 -65.0 -46.9 -5.3 16.1 -1.5 15 15 A A H X S+ 0 0 8 -4,-1.9 4,-1.3 2,-0.2 5,-0.2 0.877 117.7 49.8 -71.0 -34.9 -1.9 14.4 -1.3 16 16 A F H X S+ 0 0 6 -4,-3.0 4,-2.1 -5,-0.3 -2,-0.2 0.937 111.8 46.6 -70.1 -44.3 -0.6 16.1 -4.4 17 17 A A H < S+ 0 0 60 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.819 103.9 65.5 -68.0 -27.3 -1.6 19.6 -3.3 18 18 A L H < S+ 0 0 116 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.946 113.2 30.1 -61.1 -46.5 -0.1 18.9 0.1 19 19 A F H < S+ 0 0 51 -4,-1.3 2,-1.0 -3,-0.2 -1,-0.2 0.795 99.5 94.4 -83.7 -27.7 3.4 18.7 -1.3 20 20 A D < + 0 0 31 -4,-2.1 7,-0.1 -5,-0.2 -1,-0.0 -0.480 45.1 161.8 -66.9 101.9 2.7 21.2 -4.2 21 21 A K + 0 0 166 -2,-1.0 -1,-0.1 5,-0.2 -4,-0.1 -0.332 49.3 69.7-118.7 52.7 3.9 24.5 -2.6 22 22 A D S S- 0 0 129 4,-0.1 -2,-0.0 -2,-0.0 0, 0.0 0.318 98.7 -85.0-128.8 -98.6 4.3 26.7 -5.7 23 23 A N S S+ 0 0 148 3,-0.1 -2,-0.0 0, 0.0 -3,-0.0 0.158 103.6 39.7-174.4 34.1 1.4 28.0 -7.9 24 24 A N S S- 0 0 156 2,-0.1 -4,-0.0 0, 0.0 40,-0.0 0.237 101.3 -87.1-150.1 -75.0 0.4 25.4 -10.5 25 25 A G S S+ 0 0 20 1,-0.1 40,-1.1 -9,-0.0 2,-0.3 0.341 73.1 119.6 151.3 56.6 0.3 21.7 -9.6 26 26 A S E -A 64 0A 27 38,-0.2 2,-0.3 39,-0.1 38,-0.2 -0.999 34.1-166.3-141.9 141.9 3.6 19.9 -10.0 27 27 A I E -A 63 0A 4 36,-2.2 36,-3.2 -2,-0.3 2,-0.1 -0.913 25.1-111.1-126.8 154.9 5.9 18.0 -7.6 28 28 A S E >> -A 62 0A 50 -2,-0.3 3,-1.2 34,-0.2 4,-1.1 -0.410 30.0-113.4 -80.0 160.1 9.5 16.7 -7.8 29 29 A S H 3> S+ 0 0 6 32,-0.6 4,-1.1 1,-0.3 3,-0.2 0.836 114.5 68.3 -63.0 -28.9 10.3 13.0 -7.9 30 30 A S H 34 S+ 0 0 89 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.834 107.8 37.9 -60.7 -28.6 12.0 13.3 -4.5 31 31 A E H <> S+ 0 0 70 -3,-1.2 4,-3.0 2,-0.1 -1,-0.2 0.631 99.0 79.6 -96.6 -15.1 8.5 14.0 -3.0 32 32 A L H X S+ 0 0 3 -4,-1.1 4,-1.9 1,-0.2 5,-0.2 0.962 94.1 47.5 -57.4 -51.5 6.7 11.4 -5.3 33 33 A A H X S+ 0 0 21 -4,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.909 114.2 48.2 -58.1 -39.7 7.8 8.5 -3.2 34 34 A T H > S+ 0 0 65 -4,-0.4 4,-1.8 1,-0.2 5,-0.2 0.917 107.3 54.9 -68.8 -40.3 6.7 10.3 -0.0 35 35 A V H X S+ 0 0 0 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.870 108.1 50.5 -61.6 -32.9 3.3 11.3 -1.5 36 36 A M H X>S+ 0 0 5 -4,-1.9 5,-1.9 -5,-0.2 4,-1.3 0.886 106.7 53.6 -73.2 -36.6 2.7 7.6 -2.2 37 37 A R H <5S+ 0 0 184 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.864 111.5 45.9 -66.7 -32.8 3.6 6.6 1.4 38 38 A S H <5S+ 0 0 91 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.814 107.6 57.1 -79.9 -28.9 1.0 9.1 2.7 39 39 A L H <5S- 0 0 32 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.801 131.5 -87.2 -72.3 -25.7 -1.7 8.0 0.3 40 40 A G T <5S+ 0 0 61 -4,-1.3 2,-0.2 1,-0.2 -3,-0.2 0.639 88.5 116.2 123.9 36.1 -1.4 4.4 1.5 41 41 A L < - 0 0 44 -5,-1.9 -1,-0.2 -6,-0.1 0, 0.0 -0.702 38.7-170.1-123.5 177.8 1.3 2.8 -0.5 42 42 A S + 0 0 104 -2,-0.2 2,-0.2 2,-0.0 -5,-0.0 -0.181 12.0 179.3-168.7 64.0 4.8 1.2 0.2 43 43 A P - 0 0 18 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 -0.493 33.6-113.6 -73.3 137.4 6.8 0.4 -2.9 44 44 A S >> - 0 0 82 -2,-0.2 4,-2.1 1,-0.1 3,-0.5 -0.130 36.1 -95.4 -63.5 168.0 10.3 -1.1 -2.2 45 45 A E H 3> S+ 0 0 178 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.814 127.7 58.2 -57.2 -26.0 13.4 1.0 -3.1 46 46 A A H 3> S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.911 105.8 46.5 -72.1 -40.1 13.4 -1.0 -6.3 47 47 A E H <> S+ 0 0 85 -3,-0.5 4,-2.2 1,-0.2 5,-0.2 0.898 111.2 52.3 -69.5 -37.6 9.9 0.1 -7.3 48 48 A V H X S+ 0 0 31 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.903 108.5 51.0 -66.0 -38.2 10.7 3.7 -6.5 49 49 A N H X S+ 0 0 98 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.936 110.3 48.7 -66.0 -43.6 13.8 3.7 -8.7 50 50 A D H X S+ 0 0 110 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.940 115.1 44.6 -62.8 -44.6 11.9 2.3 -11.7 51 51 A L H X S+ 0 0 21 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.938 114.2 48.6 -66.5 -44.0 9.1 4.9 -11.3 52 52 A M H X S+ 0 0 50 -4,-2.7 4,-3.2 -5,-0.2 -1,-0.2 0.839 107.3 58.3 -65.7 -29.0 11.6 7.7 -10.8 53 53 A N H < S+ 0 0 101 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.943 105.4 47.3 -67.0 -45.1 13.5 6.5 -13.9 54 54 A E H < S+ 0 0 150 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.898 121.1 38.8 -64.1 -36.9 10.5 6.9 -16.2 55 55 A I H < S+ 0 0 3 -4,-1.7 2,-0.9 -5,-0.2 -2,-0.2 0.972 104.7 68.3 -77.7 -57.6 9.8 10.4 -14.8 56 56 A D < + 0 0 56 -4,-3.2 5,-0.1 -5,-0.2 -1,-0.1 -0.466 56.7 159.9 -65.6 103.2 13.5 11.6 -14.4 57 57 A V S S+ 0 0 119 -2,-0.9 -1,-0.2 3,-0.5 4,-0.1 0.862 79.4 15.5 -93.7 -43.4 14.5 11.9 -18.1 58 58 A D S S- 0 0 135 2,-0.7 -1,-0.1 0, 0.0 -2,-0.1 -0.020 124.6 -79.9-120.1 31.1 17.5 14.3 -17.7 59 59 A G S S+ 0 0 55 -6,-0.1 2,-0.4 1,-0.1 -3,-0.1 -0.080 117.0 58.6 98.5 -36.4 18.1 14.1 -14.0 60 60 A N + 0 0 111 -5,-0.1 -2,-0.7 -32,-0.0 -3,-0.5 -0.959 56.1 157.0-128.1 146.2 15.2 16.5 -13.1 61 61 A H - 0 0 38 -2,-0.4 -32,-0.6 -5,-0.1 2,-0.6 -0.841 31.6-137.0-167.9 127.3 11.5 16.3 -13.9 62 62 A Q E -A 28 0A 124 -2,-0.3 2,-0.5 -34,-0.1 -34,-0.2 -0.767 23.1-137.5 -91.1 121.8 8.4 17.8 -12.3 63 63 A I E -A 27 0A 0 -36,-3.2 -36,-2.2 -2,-0.6 2,-0.2 -0.641 18.6-151.4 -79.9 124.4 5.5 15.4 -12.1 64 64 A E E > -A 26 0A 86 -2,-0.5 4,-2.8 -38,-0.2 5,-0.3 -0.551 30.0-105.9 -91.7 160.2 2.1 17.0 -13.1 65 65 A F H > S+ 0 0 48 -40,-1.1 4,-1.8 1,-0.2 5,-0.2 0.808 122.0 55.1 -55.1 -25.6 -1.3 15.9 -11.7 66 66 A S H > S+ 0 0 78 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.969 111.6 38.9 -73.8 -52.9 -1.9 14.2 -15.1 67 67 A E H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.854 116.2 54.8 -66.4 -31.5 1.3 12.1 -15.1 68 68 A F H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.952 106.4 48.9 -68.1 -47.2 0.9 11.4 -11.4 69 69 A L H X S+ 0 0 23 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.897 110.5 53.0 -60.5 -37.2 -2.7 10.0 -11.8 70 70 A A H X S+ 0 0 34 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.957 110.7 44.8 -64.4 -48.4 -1.6 7.8 -14.6 71 71 A L H X S+ 0 0 25 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.894 114.5 50.2 -64.1 -36.3 1.3 6.2 -12.6 72 72 A M H X S+ 0 0 1 -4,-2.4 4,-3.5 1,-0.2 -1,-0.2 0.899 105.7 55.9 -69.7 -37.7 -1.1 5.8 -9.6 73 73 A S H < S+ 0 0 41 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.907 106.8 50.4 -62.0 -38.6 -3.8 4.1 -11.8 74 74 A R H >< S+ 0 0 170 -4,-1.7 3,-0.6 1,-0.2 -1,-0.2 0.913 118.3 37.8 -67.1 -39.7 -1.3 1.5 -12.9 75 75 A Q H 3< S+ 0 0 82 -4,-1.6 2,-0.5 1,-0.2 -2,-0.2 0.846 116.2 53.1 -80.3 -33.0 -0.2 0.8 -9.3 76 76 A L T 3< S+ 0 0 48 -4,-3.5 -1,-0.2 -5,-0.2 2,-0.1 -0.239 79.6 152.6 -95.5 47.9 -3.8 1.1 -7.9 77 77 A K < + 0 0 156 -3,-0.6 -3,-0.1 -2,-0.5 -4,-0.0 -0.478 9.5 155.6 -76.8 148.4 -5.3 -1.4 -10.4 78 78 A S + 0 0 102 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.053 38.4 91.2-167.2 50.6 -8.5 -3.2 -9.3 79 79 A N + 0 0 112 5,-0.0 2,-0.1 0, 0.0 -1,-0.1 -0.927 28.8 140.8-154.0 125.9 -10.6 -4.4 -12.3 80 80 A D > + 0 0 76 -2,-0.3 4,-1.3 1,-0.1 5,-0.1 -0.575 13.9 175.8-167.9 97.7 -10.5 -7.7 -14.3 81 81 A S H > S+ 0 0 85 2,-0.2 4,-1.7 -2,-0.1 -1,-0.1 0.936 88.6 46.7 -72.8 -45.0 -13.6 -9.5 -15.6 82 82 A E H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.980 114.4 45.5 -61.7 -55.3 -11.7 -12.2 -17.4 83 83 A Q H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.877 108.7 59.2 -57.1 -34.9 -9.3 -13.0 -14.5 84 84 A E H X S+ 0 0 120 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.914 105.2 48.5 -62.3 -39.9 -12.4 -12.9 -12.2 85 85 A L H X S+ 0 0 13 -4,-1.7 4,-2.2 -3,-0.5 5,-0.2 0.938 110.7 49.5 -67.0 -44.4 -14.0 -15.8 -14.2 86 86 A L H X S+ 0 0 55 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.869 109.2 54.2 -63.5 -33.1 -10.8 -17.9 -14.1 87 87 A E H X S+ 0 0 108 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.946 108.6 47.0 -67.4 -46.0 -10.5 -17.4 -10.4 88 88 A A H X S+ 0 0 25 -4,-1.9 4,-1.9 1,-0.2 5,-0.2 0.954 112.1 49.6 -61.7 -47.9 -14.1 -18.6 -9.7 89 89 A F H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.836 107.7 57.2 -61.6 -28.9 -13.6 -21.7 -11.9 90 90 A K H < S+ 0 0 127 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.925 104.1 50.6 -69.4 -42.1 -10.3 -22.4 -10.0 91 91 A V H < S+ 0 0 100 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.937 110.7 48.7 -62.4 -44.0 -12.0 -22.5 -6.6 92 92 A F H < S+ 0 0 64 -4,-1.9 2,-1.2 1,-0.1 -1,-0.2 0.834 99.4 76.1 -66.1 -28.8 -14.6 -25.0 -7.9 93 93 A D < + 0 0 6 -4,-1.4 -1,-0.1 -5,-0.2 7,-0.1 -0.679 57.5 177.5 -86.0 97.7 -11.8 -27.1 -9.4 94 94 A K S S+ 0 0 184 -2,-1.2 -1,-0.2 5,-0.2 -2,-0.1 0.811 75.0 64.9 -70.2 -26.7 -10.3 -28.9 -6.4 95 95 A N S S- 0 0 124 4,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.996 100.4-128.9 -59.7 -65.0 -7.9 -30.8 -8.8 96 96 A G S S+ 0 0 57 3,-0.1 -1,-0.1 -6,-0.1 -3,-0.1 0.015 88.8 79.4 138.1 -29.7 -5.9 -27.7 -10.0 97 97 A D S S- 0 0 140 2,-0.1 -4,-0.1 -7,-0.0 -7,-0.0 0.967 106.1-100.2 -72.9 -52.2 -6.1 -28.1 -13.8 98 98 A G + 0 0 4 1,-0.2 39,-2.1 -8,-0.1 2,-0.5 0.571 66.9 143.8 133.0 47.0 -9.6 -26.8 -14.3 99 99 A L E +B 136 0B 47 37,-0.2 2,-0.3 38,-0.1 -4,-0.3 -0.938 14.6 158.3-116.2 131.8 -12.1 -29.7 -14.7 100 100 A I E -B 135 0B 2 35,-2.0 35,-2.5 -2,-0.5 2,-0.1 -0.975 39.8-101.5-146.2 160.3 -15.6 -29.6 -13.3 101 101 A S E > -B 134 0B 42 -2,-0.3 4,-2.2 33,-0.2 5,-0.2 -0.407 40.7-104.7 -79.8 160.2 -19.0 -31.4 -13.9 102 102 A A H > S+ 0 0 52 31,-0.8 4,-2.2 1,-0.2 5,-0.2 0.856 122.0 58.1 -53.4 -32.5 -21.8 -29.7 -15.9 103 103 A A H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.971 107.8 42.9 -64.3 -51.6 -23.5 -29.1 -12.5 104 104 A E H > S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.855 112.6 55.9 -63.9 -31.0 -20.6 -27.2 -11.0 105 105 A L H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.917 107.0 48.1 -68.5 -40.7 -20.3 -25.3 -14.3 106 106 A K H X S+ 0 0 112 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.910 111.7 50.1 -67.2 -39.3 -23.9 -24.1 -14.2 107 107 A H H X S+ 0 0 109 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.916 109.3 51.3 -66.4 -40.4 -23.6 -23.0 -10.6 108 108 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.911 108.2 52.0 -64.6 -39.3 -20.4 -21.0 -11.3 109 109 A L H X>S+ 0 0 7 -4,-1.9 5,-1.7 1,-0.2 4,-0.7 0.869 112.8 45.7 -66.0 -33.3 -22.1 -19.2 -14.3 110 110 A T H <5S+ 0 0 103 -4,-1.6 3,-0.4 2,-0.2 -2,-0.2 0.908 110.7 51.8 -76.9 -41.0 -25.0 -18.2 -12.0 111 111 A S H <5S+ 0 0 77 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.937 106.2 54.1 -61.8 -44.2 -22.8 -17.1 -9.1 112 112 A I H <5S- 0 0 64 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.815 111.7-124.5 -60.8 -26.6 -20.8 -14.8 -11.4 113 113 A G T <5 + 0 0 46 -4,-0.7 2,-0.2 -3,-0.4 -3,-0.2 0.786 44.6 173.9 87.6 28.2 -24.1 -13.2 -12.5 114 114 A E < - 0 0 55 -5,-1.7 2,-2.6 1,-0.1 -1,-0.2 -0.492 38.7-124.9 -70.9 134.6 -23.5 -13.9 -16.2 115 115 A K S S+ 0 0 171 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 -0.333 70.3 122.8 -77.1 64.0 -26.6 -12.9 -18.3 116 116 A L - 0 0 35 -2,-2.6 -2,-0.1 -7,-0.2 5,-0.1 -0.858 44.7-161.9-129.8 100.9 -26.8 -16.4 -19.9 117 117 A T > - 0 0 96 -2,-0.5 4,-1.6 1,-0.1 5,-0.2 0.164 45.9 -83.7 -63.0-167.2 -30.1 -18.3 -19.5 118 118 A D H > S+ 0 0 115 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.851 128.0 60.5 -72.7 -31.6 -30.3 -22.1 -20.0 119 119 A A H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.936 105.4 47.5 -62.1 -44.0 -30.6 -21.7 -23.8 120 120 A E H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.976 112.9 46.6 -62.6 -53.2 -27.3 -19.9 -24.0 121 121 A V H X S+ 0 0 14 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.837 110.1 57.6 -59.2 -28.7 -25.4 -22.5 -21.9 122 122 A D H X S+ 0 0 111 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.958 108.5 42.5 -68.1 -48.5 -27.1 -25.2 -24.0 123 123 A D H X S+ 0 0 100 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.871 117.9 47.8 -66.6 -33.6 -25.8 -23.9 -27.4 124 124 A M H X S+ 0 0 26 -4,-2.3 4,-1.8 -5,-0.2 5,-0.3 0.842 107.8 55.4 -76.4 -31.2 -22.3 -23.3 -25.7 125 125 A L H X S+ 0 0 41 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.867 102.6 56.6 -69.8 -33.6 -22.4 -26.8 -24.2 126 126 A R H < S+ 0 0 216 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.911 113.0 39.7 -65.2 -39.7 -22.9 -28.5 -27.6 127 127 A E H < S+ 0 0 160 -4,-1.1 -1,-0.2 1,-0.1 -2,-0.2 0.797 127.7 34.7 -80.1 -27.3 -19.8 -26.8 -29.0 128 128 A V H < S+ 0 0 6 -4,-1.8 -3,-0.2 -5,-0.1 -2,-0.2 0.920 102.0 75.3 -91.1 -57.7 -17.8 -27.4 -25.8 129 129 A S < + 0 0 47 -4,-2.3 6,-0.1 -5,-0.3 5,-0.0 -0.314 52.8 177.4 -56.9 130.6 -19.1 -30.7 -24.4 130 130 A D - 0 0 153 -2,-0.0 -1,-0.2 0, 0.0 5,-0.0 0.736 60.3 -75.8-107.0 -32.5 -17.6 -33.5 -26.5 131 131 A G S S+ 0 0 75 3,-0.1 -2,-0.1 0, 0.0 3,-0.0 0.527 100.9 91.7 136.1 54.2 -19.0 -36.6 -24.7 132 132 A S S S- 0 0 118 2,-0.0 3,-0.1 0, 0.0 -3,-0.0 0.524 79.9-112.7-132.2 -67.9 -17.2 -37.3 -21.4 133 133 A G S S+ 0 0 52 1,-0.3 -31,-0.8 -33,-0.1 2,-0.5 -0.144 87.4 70.9 155.7 -49.5 -18.7 -35.7 -18.3 134 134 A E E -B 101 0B 104 -33,-0.2 -1,-0.3 -32,-0.1 2,-0.3 -0.824 65.2-154.5 -99.3 129.9 -16.3 -33.1 -17.0 135 135 A I E -B 100 0B 13 -35,-2.5 -35,-2.0 -2,-0.5 2,-0.4 -0.702 18.4-116.2-100.5 154.4 -15.9 -29.8 -19.0 136 136 A N E > -B 99 0B 62 -2,-0.3 4,-1.4 -37,-0.2 -37,-0.2 -0.720 8.8-148.3 -90.4 135.4 -12.7 -27.6 -18.9 137 137 A I H > S+ 0 0 14 -39,-2.1 4,-3.2 -2,-0.4 5,-0.3 0.722 91.0 73.9 -73.9 -18.0 -13.2 -24.0 -17.6 138 138 A Q H > S+ 0 0 151 -40,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.975 104.2 34.4 -59.9 -54.1 -10.4 -22.8 -20.0 139 139 A Q H > S+ 0 0 104 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.924 121.9 48.1 -68.7 -42.0 -12.7 -23.0 -23.1 140 140 A F H X S+ 0 0 0 -4,-1.4 4,-1.7 1,-0.2 5,-0.2 0.920 109.1 53.6 -65.6 -41.0 -15.8 -22.0 -21.2 141 141 A A H X S+ 0 0 3 -4,-3.2 4,-1.8 1,-0.2 5,-0.3 0.904 109.8 48.3 -61.5 -38.4 -14.0 -19.1 -19.5 142 142 A A H < S+ 0 0 39 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.909 106.2 56.5 -69.7 -39.7 -13.0 -17.8 -23.0 143 143 A L H < S+ 0 0 81 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.877 111.5 43.8 -60.5 -34.7 -16.5 -18.1 -24.4 144 144 A L H < S+ 0 0 25 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.848 134.4 16.3 -79.7 -33.3 -17.8 -15.9 -21.6 145 145 A S < 0 0 44 -4,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.820 360.0 360.0-102.6 -73.7 -14.9 -13.3 -21.9 146 146 A K 0 0 198 -5,-0.3 -1,-0.2 -64,-0.0 -2,-0.1 -0.723 360.0 360.0 -90.1 360.0 -13.0 -13.7 -25.2