==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 11-JUL-12 2LVV . COMPND 2 MOLECULE: FLAGELLAR CALCIUM-BINDING PROTEIN TB-24; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI; . AUTHOR J.AMES . 220 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15126.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 59.5 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 2.3 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 5 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 45.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.2 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 1 0 1 0 0 0 0 3 0 1 0 1 0 0 0 0 0 1 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 1 A M 0 0 241 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 77.8 1.6 94.9 48.5 2 2 A G - 0 0 72 1,-0.1 2,-0.2 2,-0.0 3,-0.1 0.229 360.0-155.1 93.2 141.6 3.0 96.7 45.5 3 3 A C + 0 0 130 1,-0.1 -1,-0.1 2,-0.0 0, 0.0 -0.728 54.4 93.4-156.8 101.6 1.3 97.4 42.2 4 4 A S + 0 0 127 -2,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.225 54.4 94.8-174.7 21.6 3.2 98.0 38.9 5 5 A G - 0 0 56 1,-0.2 2,-0.1 -3,-0.1 -2,-0.0 0.526 61.4-167.8 -99.7 -8.6 3.4 94.6 37.1 6 6 A S - 0 0 118 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.356 42.3 -51.1 58.6-125.7 0.3 95.2 35.0 7 7 A K + 0 0 182 -2,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.964 56.4 162.6-144.3 161.0 -0.6 91.9 33.4 8 8 A D - 0 0 129 -2,-0.3 -2,-0.0 1,-0.1 -3,-0.0 -0.820 45.4 -45.3-156.5-164.5 0.9 89.1 31.3 9 9 A T - 0 0 127 -2,-0.2 2,-0.3 1,-0.0 -1,-0.1 -0.265 51.9-163.1 -73.1 164.7 0.6 85.5 30.2 10 10 A T - 0 0 127 -2,-0.0 2,-0.3 0, 0.0 -1,-0.0 -0.895 9.4-175.7-142.3 172.2 -0.5 82.8 32.5 11 11 A N - 0 0 123 -2,-0.3 4,-0.1 1,-0.1 2,-0.0 -0.906 27.2 -94.0-156.2-177.1 -0.5 79.0 32.8 12 12 A S - 0 0 89 2,-0.6 -1,-0.1 -2,-0.3 0, 0.0 -0.029 62.5 -70.1 -92.0-160.0 -1.6 76.0 34.9 13 13 A K S S+ 0 0 210 -2,-0.0 2,-0.3 2,-0.0 -1,-0.0 0.304 119.2 45.6 -77.9 13.8 0.3 74.1 37.6 14 14 A D + 0 0 112 2,-0.0 -2,-0.6 1,-0.0 0, 0.0 -0.997 49.2 169.9-153.5 152.6 2.4 72.7 34.8 15 15 A G + 0 0 57 -2,-0.3 2,-1.9 -4,-0.1 -4,-0.0 -0.315 2.0 172.8-164.0 70.1 4.3 73.9 31.7 16 16 A A + 0 0 120 2,-0.0 2,-0.2 0, 0.0 -2,-0.0 -0.112 56.8 98.9 -76.3 44.1 6.6 71.3 30.1 17 17 A A - 0 0 89 -2,-1.9 2,-0.3 2,-0.0 -2,-0.0 -0.699 55.6-153.2-123.0 176.3 7.1 73.7 27.2 18 18 A S - 0 0 119 -2,-0.2 2,-0.3 0, 0.0 -2,-0.0 -0.945 7.7-148.7-146.3 167.0 9.7 76.3 26.1 19 19 A K + 0 0 180 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.836 17.6 169.3-144.7 104.0 10.1 79.4 24.1 20 20 A G S S- 0 0 62 -2,-0.3 -1,-0.1 0, 0.0 0, 0.0 0.390 74.2 -82.3 -93.2 4.2 13.3 80.3 22.2 21 21 A G S S- 0 0 54 2,-0.0 -2,-0.1 1,-0.0 0, 0.0 0.878 87.6 -44.6 97.1 53.6 11.6 83.2 20.4 22 22 A K S S+ 0 0 196 1,-0.0 -3,-0.0 0, 0.0 -1,-0.0 0.920 104.6 128.5 58.3 44.0 9.8 81.5 17.5 23 23 A D - 0 0 133 2,-0.0 -1,-0.0 0, 0.0 -4,-0.0 0.897 38.5-172.1 -93.0 -75.4 12.9 79.4 16.7 24 24 A G - 0 0 56 1,-0.1 2,-0.3 0, 0.0 -5,-0.0 0.172 4.0-177.0 92.2 146.3 11.9 75.7 16.5 25 25 A K + 0 0 111 4,-0.0 2,-0.2 3,-0.0 -1,-0.1 -0.899 9.2 156.1-175.9 145.6 14.1 72.7 16.2 26 26 A T > - 0 0 67 -2,-0.3 4,-3.3 120,-0.0 5,-0.4 -0.845 63.7 -50.3-156.4-168.2 14.0 68.9 15.7 27 27 A T H > S+ 0 0 50 -2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.887 128.4 60.1 -42.6 -46.0 15.9 65.9 14.5 28 28 A A H > S+ 0 0 58 2,-0.2 4,-2.1 1,-0.2 3,-0.3 0.961 113.9 32.2 -48.4 -64.7 16.5 67.7 11.3 29 29 A D H > S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 5,-0.3 0.876 120.9 52.6 -63.2 -36.3 18.4 70.6 12.9 30 30 A R H X S+ 0 0 20 -4,-3.3 4,-1.6 1,-0.2 -1,-0.2 0.795 108.4 52.6 -70.7 -25.1 19.8 68.3 15.5 31 31 A K H X S+ 0 0 116 -4,-3.2 4,-1.2 -5,-0.4 -2,-0.2 0.945 109.4 45.0 -76.3 -48.8 21.0 65.9 12.8 32 32 A V H X S+ 0 0 92 -4,-2.1 4,-1.5 -5,-0.3 5,-0.2 0.932 116.9 45.7 -62.0 -45.1 23.0 68.5 10.7 33 33 A A H >X S+ 0 0 20 -4,-1.8 4,-2.6 1,-0.2 3,-0.5 0.962 113.3 47.8 -64.3 -50.2 24.6 70.1 13.8 34 34 A W H 3X S+ 0 0 14 -4,-1.6 4,-2.3 -5,-0.3 5,-0.2 0.727 107.0 60.9 -63.7 -18.1 25.5 66.8 15.4 35 35 A E H 3X S+ 0 0 100 -4,-1.2 4,-1.2 2,-0.2 -1,-0.2 0.895 109.3 39.4 -75.3 -38.0 26.9 65.7 12.1 36 36 A R H X S+ 0 0 24 -4,-2.6 4,-3.3 2,-0.2 3,-1.3 0.988 109.4 51.6 -69.7 -61.0 30.1 68.2 15.7 38 38 A R H 3< S+ 0 0 124 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.881 110.6 52.0 -42.5 -43.1 30.4 64.4 15.8 39 39 A C H 3< S+ 0 0 82 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.869 113.9 43.3 -64.4 -34.6 32.9 64.8 12.9 40 40 A A H << S+ 0 0 42 -3,-1.3 -2,-0.2 -4,-1.2 -1,-0.2 0.938 103.9 69.4 -76.6 -47.3 34.8 67.3 15.0 41 41 A I S < S- 0 0 20 -4,-3.3 8,-0.1 -5,-0.1 -1,-0.1 -0.605 85.8-134.3 -75.2 121.3 34.7 65.4 18.3 42 42 A P + 0 0 25 0, 0.0 -1,-0.1 0, 0.0 88,-0.1 0.127 24.6 180.0 -61.3-175.1 36.9 62.3 18.0 43 43 A R S S+ 0 0 126 87,-0.1 -2,-0.0 88,-0.0 -5,-0.0 0.320 74.0 39.3-170.1 0.4 35.7 58.8 19.1 44 44 A D S S- 0 0 108 2,-0.0 5,-0.1 164,-0.0 83,-0.0 0.119 96.9-114.6-148.3 25.4 38.5 56.3 18.5 45 45 A K + 0 0 34 1,-0.1 164,-0.3 78,-0.1 2,-0.1 0.887 61.1 162.9 38.2 53.8 41.8 58.1 19.3 46 46 A D > - 0 0 106 1,-0.1 4,-3.5 163,-0.0 5,-0.3 -0.303 57.4 -84.3 -92.3-178.9 42.8 58.0 15.7 47 47 A A H > S+ 0 0 71 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.941 133.9 45.3 -50.5 -51.4 45.5 59.9 13.9 48 48 A E H > S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.849 115.0 50.6 -62.5 -31.7 43.1 62.8 13.3 49 49 A S H > S+ 0 0 11 2,-0.2 4,-3.7 3,-0.2 5,-0.2 0.975 105.0 53.4 -70.7 -54.8 42.0 62.5 16.9 50 50 A K H X S+ 0 0 92 -4,-3.5 4,-1.8 2,-0.2 5,-0.2 0.924 112.4 46.0 -45.3 -53.4 45.4 62.5 18.5 51 51 A S H >X S+ 0 0 77 -4,-1.9 4,-2.3 -5,-0.3 3,-0.8 0.982 114.6 45.1 -55.4 -62.0 46.3 65.8 16.7 52 52 A R H 3X>S+ 0 0 60 -4,-1.9 4,-2.2 1,-0.3 5,-0.6 0.916 105.6 63.7 -48.5 -46.8 43.0 67.5 17.5 53 53 A R H 3X5S+ 0 0 28 -4,-3.7 4,-1.5 1,-0.3 -1,-0.3 0.910 108.6 40.2 -44.5 -49.3 43.3 66.3 21.0 54 54 A I H < S+ 0 0 77 -4,-1.4 3,-1.3 -5,-0.2 -2,-0.2 0.995 109.8 28.4 -62.0 -76.3 43.2 76.0 23.5 60 60 A F H >< S+ 0 0 18 -4,-1.5 3,-0.6 1,-0.3 -2,-0.2 0.831 117.0 64.9 -55.7 -29.8 41.8 76.0 27.0 61 61 A D G >< + 0 0 32 -4,-2.8 3,-1.0 -5,-0.3 -1,-0.3 -0.003 64.0 119.1 -83.7 33.4 45.4 75.7 28.2 62 62 A T G < + 0 0 121 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.634 67.7 62.6 -72.9 -10.9 46.1 79.1 26.8 63 63 A N G < S- 0 0 75 -3,-0.6 -1,-0.2 -4,-0.1 -2,-0.1 0.673 111.4-119.4 -86.6 -17.4 47.0 80.2 30.3 64 64 A G S < S+ 0 0 55 -3,-1.0 -2,-0.1 -6,-0.1 -3,-0.1 0.936 74.7 110.0 77.9 86.1 49.9 77.7 30.5 65 65 A T - 0 0 82 -4,-0.2 -4,-0.1 0, 0.0 -3,-0.0 0.368 59.1-144.3-152.6 -48.5 49.3 75.2 33.4 66 66 A G S S+ 0 0 21 -9,-0.1 2,-0.5 1,-0.1 53,-0.2 0.338 80.8 89.4 87.3 -8.9 48.5 71.7 32.1 67 67 A K + 0 0 108 51,-0.1 2,-0.1 49,-0.1 51,-0.1 -0.765 57.7 175.5-123.7 85.8 46.1 71.4 35.0 68 68 A L B -A 117 0A 13 49,-1.0 49,-2.9 -2,-0.5 2,-0.1 -0.486 10.9-159.1 -88.3 161.1 42.6 72.6 34.0 69 69 A G - 0 0 21 47,-0.2 4,-0.5 -2,-0.1 47,-0.1 -0.238 33.2 -90.4-116.8-153.3 39.5 72.4 36.2 70 70 A F S > S+ 0 0 30 2,-0.2 4,-3.7 3,-0.1 3,-0.3 0.927 116.0 50.2 -91.2 -62.4 35.7 72.4 35.4 71 71 A R H > S+ 0 0 179 1,-0.3 4,-1.7 2,-0.2 5,-0.3 0.904 115.0 47.1 -41.9 -51.4 34.7 76.1 35.5 72 72 A E H > S+ 0 0 102 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.907 115.7 45.9 -60.3 -40.5 37.6 76.9 33.2 73 73 A V H > S+ 0 0 5 -4,-0.5 4,-1.8 -3,-0.3 5,-0.3 0.957 108.2 56.1 -67.9 -49.9 36.7 74.1 30.9 74 74 A L H X S+ 0 0 24 -4,-3.7 4,-2.7 1,-0.2 5,-0.4 0.954 111.0 41.6 -45.1 -70.6 33.0 74.9 30.9 75 75 A D H X>S+ 0 0 94 -4,-1.7 4,-2.4 1,-0.2 5,-0.5 0.870 106.9 68.8 -46.8 -39.4 33.4 78.5 29.7 76 76 A G H X5S+ 0 0 10 -4,-1.5 4,-3.3 -5,-0.3 5,-0.3 0.951 115.8 20.8 -45.2 -66.8 36.0 77.1 27.3 77 77 A C H <>S+ 0 0 11 -4,-1.8 5,-3.9 -3,-0.3 -2,-0.2 0.965 119.2 62.2 -69.8 -51.7 33.6 75.2 25.1 78 78 A Y H <5S+ 0 0 96 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.791 121.2 27.7 -44.2 -28.3 30.5 77.2 26.2 79 79 A G H <5S+ 0 0 42 -4,-2.4 -1,-0.2 -5,-0.4 -2,-0.2 0.775 138.4 22.9-104.1 -37.1 32.3 80.1 24.6 80 80 A I T < + 0 0 6 1,-0.2 4,-1.6 2,-0.1 3,-0.1 0.453 60.2 86.4 -87.3 0.5 27.8 73.4 22.0 84 84 A D T 4 S+ 0 0 71 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.934 73.2 69.2 -66.0 -45.4 24.6 75.3 22.8 85 85 A E T 4 S+ 0 0 161 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.883 114.8 26.5 -38.5 -52.8 23.5 75.8 19.2 86 86 A F T 4 S+ 0 0 18 -4,-0.3 2,-0.5 1,-0.2 -2,-0.2 0.982 126.6 41.7 -77.8 -67.2 22.8 72.0 19.0 87 87 A T S < S- 0 0 34 -4,-1.6 2,-0.8 1,-0.0 3,-0.2 -0.698 84.4-129.5 -86.3 128.3 22.0 71.1 22.6 88 88 A T S S- 0 0 100 -2,-0.5 -4,-0.1 1,-0.2 -3,-0.1 -0.642 86.3 -4.3 -78.0 110.7 19.8 73.5 24.5 89 89 A H S S+ 0 0 118 -2,-0.8 -1,-0.2 1,-0.1 3,-0.1 0.930 70.7 165.2 70.8 90.6 21.6 74.2 27.8 90 90 A L > + 0 0 2 -3,-0.2 4,-1.5 2,-0.1 5,-0.3 0.189 41.1 108.7-122.6 15.5 24.7 72.0 28.0 91 91 A P H > S+ 0 0 24 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.829 87.8 49.6 -62.2 -24.6 26.6 73.5 30.8 92 92 A D H > S+ 0 0 98 2,-0.2 4,-2.6 1,-0.1 5,-0.3 0.784 99.5 65.3 -82.8 -28.4 25.6 70.4 32.7 93 93 A I H > S+ 0 0 19 -3,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.972 109.4 36.7 -58.5 -54.0 26.7 68.1 30.0 94 94 A V H X S+ 0 0 4 -4,-1.5 4,-3.3 2,-0.2 5,-0.3 0.835 111.8 63.4 -68.4 -30.2 30.4 69.0 30.4 95 95 A Q H X S+ 0 0 71 -4,-1.0 4,-2.4 -5,-0.3 -2,-0.2 0.970 107.8 40.0 -57.9 -53.8 29.9 69.3 34.1 96 96 A R H X S+ 0 0 107 -4,-2.6 4,-1.7 1,-0.2 5,-0.4 0.870 116.4 52.4 -63.8 -35.1 29.0 65.6 34.5 97 97 A A H X S+ 0 0 1 -4,-1.7 4,-1.8 -5,-0.3 -2,-0.2 0.921 110.9 45.5 -68.6 -43.1 31.7 64.8 31.9 98 98 A F H X S+ 0 0 13 -4,-3.3 4,-2.0 2,-0.2 5,-0.2 0.935 115.9 46.7 -66.6 -44.9 34.5 66.7 33.7 99 99 A D H X S+ 0 0 84 -4,-2.4 4,-2.0 -5,-0.3 5,-0.2 0.997 116.6 39.6 -60.1 -70.2 33.5 65.3 37.2 100 100 A K H X>S+ 0 0 50 -4,-1.7 4,-2.6 1,-0.2 5,-0.5 0.924 112.6 58.5 -45.7 -53.8 33.2 61.6 36.3 101 101 A A H X5S+ 0 0 4 -4,-1.8 4,-1.8 -5,-0.4 -1,-0.2 0.928 107.6 45.4 -42.4 -61.2 36.2 61.7 34.0 102 102 A K H X5S+ 0 0 13 -4,-2.0 4,-1.2 -5,-0.2 3,-0.4 0.960 120.6 38.9 -49.4 -60.6 38.5 62.9 36.8 103 103 A D H X5S+ 0 0 67 -4,-2.0 4,-0.9 1,-0.2 3,-0.4 0.986 114.6 50.2 -54.8 -68.2 37.2 60.4 39.3 104 104 A L H X5S+ 0 0 29 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.767 103.0 69.8 -43.5 -25.4 36.8 57.4 37.0 105 105 A G H X - 0 0 52 -2,-0.4 4,-3.1 -51,-0.1 5,-0.3 -0.631 43.2 -89.1-112.7 173.1 45.2 65.8 32.7 119 119 A F H > S+ 0 0 76 -2,-0.2 4,-1.4 2,-0.2 -1,-0.0 0.874 129.6 46.6 -49.3 -36.8 45.8 64.9 29.1 120 120 A L H >> S+ 0 0 71 2,-0.2 4,-1.6 1,-0.2 3,-0.9 0.994 113.5 42.5 -70.5 -63.8 44.6 61.5 30.0 121 121 A E H 3> S+ 0 0 4 1,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.821 110.7 62.2 -53.3 -27.8 41.5 62.3 32.0 122 122 A F H 3X S+ 0 0 10 -4,-3.1 4,-2.1 1,-0.2 -1,-0.3 0.930 98.8 53.0 -64.5 -43.8 40.9 64.9 29.3 123 123 A R H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 3,-1.2 0.989 108.8 49.3 -58.7 -63.8 22.4 58.6 22.4 136 136 A T H 3X S+ 0 0 37 -4,-1.7 4,-2.3 1,-0.3 3,-0.3 0.905 117.1 42.5 -42.6 -51.6 20.3 61.7 22.4 137 137 A V H 3< S+ 0 0 35 -4,-2.4 4,-0.3 1,-0.2 -1,-0.3 0.755 117.7 48.4 -69.5 -21.8 20.2 61.7 18.6 138 138 A M H - 0 0 107 -2,-0.3 4,-2.2 35,-0.2 5,-0.2 -0.975 48.5 -88.4-148.6 161.8 9.9 53.6 29.4 152 152 A L H > S+ 0 0 81 33,-0.4 4,-1.6 -2,-0.3 5,-0.1 0.732 123.8 62.8 -42.2 -20.3 9.9 49.9 29.5 153 153 A Q H >> S+ 0 0 106 2,-0.2 4,-1.5 1,-0.2 3,-0.6 0.995 107.9 32.7 -71.7 -68.6 9.1 50.2 25.9 154 154 A E H 3> S+ 0 0 39 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.692 114.9 67.2 -62.5 -13.9 12.1 51.9 24.4 155 155 A F H 3X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.941 101.8 41.5 -72.2 -47.1 14.0 50.0 27.1 156 156 A K H << S+ 0 0 88 -4,-1.6 -2,-0.2 -3,-0.6 -1,-0.2 0.779 121.7 43.9 -71.1 -25.1 13.3 46.6 25.5 157 157 A E H X S+ 0 0 98 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.856 119.2 41.0 -86.0 -37.7 14.0 48.1 22.1 158 158 A A H X S+ 0 0 0 -4,-2.6 4,-4.2 -5,-0.2 5,-0.3 0.801 101.3 72.6 -79.4 -28.9 17.0 50.0 23.1 159 159 A L H X S+ 0 0 47 -4,-2.6 4,-1.7 -5,-0.2 10,-0.2 0.953 109.3 31.9 -49.5 -55.0 18.3 47.2 25.3 160 160 A P H > S+ 0 0 62 0, 0.0 4,-1.4 0, 0.0 3,-0.2 0.971 120.6 50.3 -67.2 -54.7 19.3 45.2 22.1 161 161 A K H X S+ 0 0 58 -4,-1.6 4,-1.5 1,-0.3 3,-0.3 0.882 109.0 54.8 -51.5 -38.2 20.1 48.2 20.0 162 162 A L H X>S+ 0 0 3 -4,-4.2 4,-1.3 1,-0.2 5,-0.7 0.938 96.5 63.6 -62.0 -45.4 22.3 49.4 22.8 163 163 A K H <5S+ 0 0 142 -4,-1.7 3,-0.4 -5,-0.3 -1,-0.2 0.883 104.0 49.2 -45.7 -41.0 24.2 46.2 22.8 164 164 A E H <5S+ 0 0 164 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.897 94.9 72.3 -67.5 -39.3 25.3 47.1 19.3 165 165 A W H <5S- 0 0 25 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.885 125.1 -92.6 -41.9 -45.6 26.3 50.6 20.5 166 166 A G T <5S+ 0 0 39 -4,-1.3 -1,-0.1 1,-0.4 -3,-0.1 0.139 96.6 88.5 151.4 -21.9 29.3 49.0 22.2 167 167 A V < - 0 0 3 -5,-0.7 -1,-0.4 36,-0.0 2,-0.1 -0.276 59.6-144.6 -92.9-176.6 28.1 48.3 25.8 168 168 A D - 0 0 81 28,-0.1 3,-0.2 -2,-0.1 -9,-0.0 -0.558 13.7-178.7-152.5 80.8 26.3 45.3 27.2 169 169 A I + 0 0 11 -10,-0.2 2,-0.2 1,-0.2 6,-0.1 0.622 20.2 179.2 -57.4 -9.7 23.8 46.0 29.9 170 170 A T + 0 0 95 -11,-0.1 2,-0.3 -3,-0.0 -1,-0.2 -0.168 64.9 49.9 43.5-101.9 23.3 42.2 30.1 171 171 A D S S+ 0 0 104 -3,-0.2 4,-0.3 -2,-0.2 -3,-0.0 -0.470 72.3 176.4 -65.0 123.8 20.7 42.2 32.9 172 172 A A >> + 0 0 17 -2,-0.3 3,-2.2 2,-0.1 4,-1.9 0.876 66.6 44.4 -92.8 -84.0 18.0 44.7 31.9 173 173 A T H 3> S+ 0 0 84 1,-0.3 4,-1.4 2,-0.2 5,-0.2 0.801 113.9 55.5 -29.7 -47.6 15.1 45.0 34.3 174 174 A T H 3> S+ 0 0 86 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.921 110.2 44.6 -58.4 -43.2 17.5 44.9 37.2 175 175 A V H <>>S+ 0 0 21 -3,-2.2 4,-2.1 -4,-0.3 5,-0.6 0.937 102.0 64.6 -68.1 -45.5 19.4 47.9 35.8 176 176 A F H X5S+ 0 0 20 -4,-1.9 4,-1.0 1,-0.3 -1,-0.2 0.860 108.4 44.3 -45.7 -35.8 16.2 49.8 34.9 177 177 A N H <5S+ 0 0 99 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.876 112.2 52.1 -77.9 -37.4 15.7 49.9 38.7 178 178 A E H <5S+ 0 0 151 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.994 111.1 43.3 -62.2 -63.9 19.3 50.7 39.5 179 179 A I H <5S+ 0 0 17 -4,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.880 102.0 87.7 -49.9 -38.4 19.7 53.8 37.2 180 180 A D << + 0 0 26 -4,-1.0 7,-0.1 -5,-0.6 -3,-0.0 -0.284 43.5 158.0 -61.7 147.0 16.3 54.8 38.5 181 181 A T + 0 0 106 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.394 62.7 65.2-147.8 -10.1 16.3 56.9 41.6 182 182 A N S S- 0 0 124 4,-0.2 -2,-0.1 0, 0.0 5,-0.1 0.687 89.1-136.6 -91.8 -19.9 13.0 58.8 41.7 183 183 A G + 0 0 67 3,-0.1 -6,-0.0 -6,-0.1 -3,-0.0 0.937 65.8 121.4 65.4 45.6 10.8 55.7 42.0 184 184 A S S S- 0 0 93 2,-0.3 3,-0.1 0, 0.0 -1,-0.0 0.831 82.6 -98.2-104.2 -53.4 8.3 57.0 39.4 185 185 A G S S+ 0 0 41 1,-0.5 -33,-0.4 -8,-0.0 2,-0.3 0.349 91.3 49.6 145.3 3.9 8.2 54.4 36.6 186 186 A V - 0 0 43 -35,-0.1 -1,-0.5 -34,-0.1 2,-0.4 -0.904 66.0-125.9-152.6 179.6 10.5 55.7 33.9 187 187 A V E -B 150 0B 8 -37,-1.1 -37,-3.2 -2,-0.3 2,-0.2 -0.993 19.7-125.4-137.8 144.7 14.0 57.2 33.3 188 188 A T E >> -B 149 0B 63 -2,-0.4 4,-2.5 -39,-0.2 3,-0.9 -0.533 29.9-109.8 -87.2 155.2 15.1 60.4 31.6 189 189 A F H 3>>S+ 0 0 7 -41,-2.3 4,-3.2 1,-0.3 5,-0.5 0.950 117.6 52.8 -44.0 -69.4 17.6 60.5 28.7 190 190 A D H 3>5S+ 0 0 68 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.789 115.4 44.9 -39.3 -34.4 20.4 62.0 30.7 191 191 A E H <>5S+ 0 0 53 -3,-0.9 4,-1.7 2,-0.2 5,-0.2 0.980 115.7 40.4 -78.4 -62.9 19.9 59.2 33.2 192 192 A F H X5S+ 0 0 3 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.930 119.5 49.0 -50.8 -46.4 19.6 56.2 31.0 193 193 A S H X5S+ 0 0 4 -4,-3.2 4,-2.2 -5,-0.4 5,-0.4 0.917 101.2 63.4 -61.6 -43.3 22.3 57.5 28.8 194 194 A C H XX S+ 0 0 22 -4,-2.0 4,-2.3 -5,-0.4 3,-1.3 0.949 112.5 44.3 -46.1 -62.0 30.0 55.6 31.4 199 199 A K H >X S+ 0 0 70 -4,-1.7 4,-2.3 -5,-0.3 3,-0.6 0.962 110.2 53.2 -48.6 -62.9 30.1 51.9 30.7 200 200 A K H 3X S+ 0 0 35 -4,-2.4 4,-1.4 1,-0.3 -1,-0.3 0.761 112.3 50.8 -45.9 -22.6 31.1 52.3 27.1 201 201 A L H