==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-MAR-12 4ECG . COMPND 2 MOLECULE: PUTATIVE IRON-REGULATED PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: PARABACTEROIDES DISTASONIS ATCC 8503; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 368 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15653.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 73.6 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 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 3 0.8 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 . 1 0.3 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 . 8 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 51.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.7 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 1 1 1 1 2 2 2 0 0 0 1 0 0 1 0 1 1 0 0 1 0 1 1 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 35 A T 0 0 192 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -21.0 96.6 -22.0 -16.1 2 36 A Y + 0 0 134 2,-0.0 2,-0.2 3,-0.0 5,-0.2 -0.502 360.0 165.2 -74.6 141.5 94.1 -21.0 -13.3 3 37 A D B > -A 6 0A 74 3,-1.2 3,-1.6 -2,-0.2 314,-0.1 -0.826 53.7 -82.9-139.0-179.3 93.4 -17.4 -12.4 4 38 A F T 3 S+ 0 0 15 1,-0.3 3,-0.2 -2,-0.2 -2,-0.0 0.770 128.7 43.4 -59.0 -30.2 90.8 -15.5 -10.3 5 39 A K T 3 S+ 0 0 177 1,-0.2 -1,-0.3 357,-0.0 2,-0.2 0.318 117.4 48.3 -95.2 2.4 88.3 -15.3 -13.2 6 40 A N B < S+A 3 0A 100 -3,-1.6 -3,-1.2 2,-0.0 -1,-0.2 -0.688 78.2 157.4-145.1 77.5 88.9 -19.0 -14.3 7 41 A L - 0 0 47 -3,-0.2 2,-0.1 -2,-0.2 3,-0.1 -0.673 41.0-112.4-103.1 158.3 88.7 -21.1 -11.2 8 42 A P - 0 0 37 0, 0.0 306,-0.1 0, 0.0 -1,-0.1 -0.410 57.3 -67.8 -76.3 169.2 88.0 -24.8 -10.7 9 43 A A - 0 0 96 -2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.182 57.0-102.8 -52.5 141.2 84.7 -25.9 -8.9 10 44 A D - 0 0 68 1,-0.1 301,-0.2 -3,-0.1 -1,-0.1 -0.227 31.1-114.1 -57.2 161.6 84.3 -25.1 -5.2 11 45 A S - 0 0 72 299,-3.8 300,-0.1 2,-0.2 299,-0.1 0.891 40.1-118.8 -67.1 -36.6 84.9 -28.0 -2.8 12 46 A G S S+ 0 0 61 1,-0.5 2,-0.3 298,-0.4 298,-0.1 0.061 76.8 122.8 111.8 -22.1 81.3 -28.1 -1.7 13 47 A A - 0 0 41 296,-0.4 -1,-0.5 297,-0.2 -2,-0.2 -0.568 42.5-169.6 -66.1 130.2 82.2 -27.4 2.0 14 48 A K - 0 0 178 -2,-0.3 292,-0.0 -3,-0.1 2,-0.0 -0.995 24.9-111.5-120.9 135.9 80.5 -24.2 3.2 15 49 A P - 0 0 16 0, 0.0 2,-0.1 0, 0.0 291,-0.0 -0.338 28.9-124.8 -68.4 148.5 81.5 -22.6 6.5 16 50 A T > - 0 0 74 1,-0.1 4,-2.2 -2,-0.0 5,-0.2 -0.303 24.6-107.8 -81.3 169.4 79.1 -22.7 9.4 17 51 A E H > S+ 0 0 115 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.903 121.1 53.4 -66.0 -42.0 77.9 -19.6 11.2 18 52 A D H > S+ 0 0 140 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.863 110.3 50.3 -60.4 -34.3 80.0 -20.5 14.3 19 53 A Q H > S+ 0 0 80 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.928 112.1 44.5 -70.3 -46.6 83.0 -20.8 12.0 20 54 A X H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.862 110.2 56.0 -63.7 -38.6 82.4 -17.4 10.4 21 55 A S H X S+ 0 0 35 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.875 105.2 52.5 -63.0 -36.6 81.8 -15.8 13.8 22 56 A A H X S+ 0 0 42 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.843 106.0 53.6 -69.5 -33.7 85.2 -17.0 15.0 23 57 A V H X S+ 0 0 3 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.949 111.4 45.5 -63.5 -46.0 86.9 -15.4 12.0 24 58 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.922 113.2 50.5 -63.0 -45.6 85.3 -12.1 12.9 25 59 A A H X S+ 0 0 29 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.962 112.7 45.7 -56.1 -50.5 86.2 -12.5 16.5 26 60 A T H X S+ 0 0 22 -4,-2.7 4,-2.5 1,-0.2 5,-0.5 0.874 111.4 53.2 -65.6 -36.1 89.8 -13.3 15.7 27 61 A F H X>S+ 0 0 4 -4,-2.6 5,-2.0 -5,-0.2 4,-2.0 0.970 113.7 42.4 -57.8 -52.3 89.9 -10.3 13.2 28 62 A V H <>S+ 0 0 0 -4,-2.6 5,-2.2 3,-0.2 -2,-0.2 0.883 124.1 35.5 -63.0 -41.5 88.6 -7.9 16.0 29 63 A D H <5S+ 0 0 60 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.767 129.9 28.7 -90.4 -27.7 90.9 -9.3 18.8 30 64 A E H <5S+ 0 0 111 -4,-2.5 261,-1.0 -5,-0.3 -3,-0.2 0.569 133.1 22.8-111.6 -14.7 94.1 -10.2 16.9 31 65 A V T X5S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.5 5,-0.2 0.693 124.9 31.9-113.1 -65.3 94.1 -7.7 13.9 32 66 A A H > S+ 0 0 38 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.907 110.5 52.5 -67.8 -35.1 96.0 -4.6 18.5 35 69 A T H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.945 114.7 43.0 -61.1 -43.1 96.8 -2.5 15.5 36 70 A Y H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.868 112.1 52.8 -74.2 -36.7 95.0 0.4 17.0 37 71 A K H X S+ 0 0 110 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.894 110.1 48.5 -62.8 -40.3 96.5 -0.2 20.5 38 72 A D H X S+ 0 0 38 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.901 110.6 52.9 -67.6 -41.3 100.0 -0.2 18.9 39 73 A X H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.934 108.8 48.2 -57.1 -46.2 99.0 3.0 17.1 40 74 A L H X S+ 0 0 32 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.951 113.3 48.1 -63.9 -43.2 97.9 4.7 20.5 41 75 A T H X S+ 0 0 86 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.950 116.1 43.1 -60.8 -48.1 101.2 3.6 22.2 42 76 A K H X S+ 0 0 73 -4,-2.8 4,-2.4 1,-0.2 30,-0.2 0.822 112.3 53.8 -71.3 -31.0 103.3 4.9 19.2 43 77 A X H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.880 106.7 51.4 -69.5 -40.6 101.2 8.1 18.9 44 78 A T H X S+ 0 0 54 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.920 111.4 48.0 -59.8 -41.3 101.7 8.9 22.6 45 79 A A H X S+ 0 0 54 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.934 111.2 52.2 -65.2 -40.3 105.5 8.4 22.0 46 80 A Y H X S+ 0 0 0 -4,-2.4 4,-2.6 22,-0.2 -2,-0.2 0.932 110.0 45.8 -61.0 -45.5 105.3 10.6 19.0 47 81 A K H X S+ 0 0 22 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.927 113.7 50.4 -67.5 -41.0 103.5 13.5 20.8 48 82 A N H X S+ 0 0 94 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.899 112.4 47.4 -61.1 -39.0 106.1 13.3 23.8 49 83 A A H X S+ 0 0 18 -4,-2.7 4,-2.2 2,-0.2 16,-0.3 0.905 111.9 48.7 -71.3 -43.2 109.0 13.4 21.3 50 84 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 -2,-0.2 0.930 112.4 50.6 -58.0 -44.8 107.5 16.4 19.4 51 85 A D H X S+ 0 0 55 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.886 107.9 51.4 -60.0 -42.4 107.0 18.1 22.8 52 86 A K H X S+ 0 0 122 -4,-1.9 4,-1.1 2,-0.2 6,-0.3 0.925 112.8 46.6 -66.0 -43.8 110.6 17.5 23.9 53 87 A F H >X S+ 0 0 2 -4,-2.2 4,-2.5 8,-0.3 3,-0.8 0.941 109.6 52.5 -58.8 -50.0 111.8 19.0 20.6 54 88 A I H 3< S+ 0 0 34 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.960 110.7 49.8 -53.3 -45.9 109.5 22.0 20.8 55 89 A A H 3< S+ 0 0 93 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.738 124.1 25.4 -60.3 -27.6 110.9 22.7 24.3 56 90 A S H << S- 0 0 65 -4,-1.1 -2,-0.2 -3,-0.8 -1,-0.2 0.764 78.9-137.0-114.5 -33.8 114.6 22.4 23.3 57 91 A G < + 0 0 45 -4,-2.5 2,-0.2 1,-0.2 -4,-0.1 0.564 49.6 159.8 75.7 12.5 115.3 23.2 19.7 58 92 A S > - 0 0 37 -6,-0.3 4,-1.8 -5,-0.2 -1,-0.2 -0.472 44.8-145.6 -74.9 130.7 117.7 20.2 19.7 59 93 A K H > S+ 0 0 155 -2,-0.2 4,-2.3 2,-0.2 5,-0.1 0.852 104.0 51.6 -54.6 -40.5 118.7 18.6 16.4 60 94 A N H > S+ 0 0 110 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.917 108.6 50.7 -66.3 -38.6 118.8 15.1 18.1 61 95 A D H > S+ 0 0 26 2,-0.2 4,-1.9 1,-0.2 -8,-0.3 0.846 110.7 50.2 -66.3 -36.7 115.2 15.7 19.6 62 96 A L H X S+ 0 0 3 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.952 108.4 50.2 -62.6 -54.9 114.0 16.6 16.1 63 97 A A H X S+ 0 0 31 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.886 112.3 49.8 -50.0 -42.8 115.6 13.4 14.5 64 98 A D H X S+ 0 0 83 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.863 109.3 50.4 -65.9 -38.0 113.8 11.5 17.3 65 99 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 -16,-0.3 -2,-0.2 0.927 110.7 50.5 -65.0 -41.3 110.5 13.2 16.6 66 100 A C H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.894 110.7 47.7 -62.6 -44.5 110.9 12.3 12.9 67 101 A D H X S+ 0 0 98 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.934 111.3 51.4 -60.0 -47.9 111.6 8.7 13.7 68 102 A A H X S+ 0 0 16 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.874 105.9 55.7 -60.9 -34.1 108.6 8.6 16.0 69 103 A W H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.955 110.8 44.5 -62.8 -50.0 106.4 10.1 13.1 70 104 A R H X S+ 0 0 60 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.858 112.1 52.7 -58.2 -41.4 107.4 7.2 10.8 71 105 A A H >< S+ 0 0 38 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.882 109.3 47.0 -70.2 -39.0 106.9 4.6 13.6 72 106 A V H 3X S+ 0 0 0 -4,-2.3 4,-1.3 -30,-0.2 -1,-0.2 0.819 106.9 61.3 -69.9 -27.4 103.3 5.7 14.4 73 107 A R H 3X S+ 0 0 0 -4,-1.4 4,-2.3 -5,-0.3 -1,-0.2 0.743 90.1 68.9 -70.6 -23.6 102.6 5.7 10.7 74 108 A V H < S+ 0 0 0 -4,-1.3 3,-1.3 1,-0.2 -2,-0.2 0.933 113.0 40.8 -64.4 -45.0 98.1 3.5 10.9 77 111 A E H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.3 205,-0.2 0.846 109.0 61.0 -74.8 -29.5 98.9 2.5 7.3 78 112 A Q T 3< S+ 0 0 11 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.405 101.7 58.2 -69.3 5.0 98.6 -1.2 8.4 79 113 A S T X S+ 0 0 0 -3,-1.3 3,-1.6 -5,-0.2 -1,-0.2 0.372 71.6 97.4-117.3 4.8 95.0 -0.3 9.3 80 114 A E G X S+ 0 0 12 -3,-1.3 3,-0.6 1,-0.3 150,-0.1 0.572 70.8 70.3 -76.8 -7.0 93.7 0.9 6.0 81 115 A A G 3 S+ 0 0 1 1,-0.2 -1,-0.3 -3,-0.2 148,-0.2 0.576 107.6 40.9 -79.5 -9.1 92.2 -2.6 5.2 82 116 A F G < + 0 0 0 -3,-1.6 5,-0.2 144,-0.2 -1,-0.2 -0.437 62.4 136.8-137.1 64.4 89.7 -1.7 7.9 83 117 A L < > + 0 0 20 142,-2.0 5,-1.2 -3,-0.6 143,-0.2 0.518 50.4 104.7 -84.1 -7.1 88.7 2.0 7.7 84 118 A F T > 5S+ 0 0 3 141,-0.9 3,-0.5 3,-0.2 2,-0.4 -0.289 71.5 25.2 -64.0 162.8 85.1 0.9 8.3 85 119 A G T 3>5S+ 0 0 4 1,-0.2 4,-3.1 2,-0.1 3,-0.3 -0.649 129.1 2.1 82.9-134.0 83.7 1.5 11.8 86 120 A V H 3>5S+ 0 0 0 -2,-0.4 4,-2.6 1,-0.2 6,-0.6 0.901 128.0 56.9 -66.7 -40.9 85.1 4.3 13.9 87 121 A A H <4>S+ 0 0 0 -3,-0.5 6,-1.5 -5,-0.2 5,-1.0 0.925 119.2 34.0 -53.1 -46.1 87.6 5.6 11.3 88 122 A D H >45 + 0 0 87 -3,-1.2 4,-1.6 -5,-0.2 -3,-0.2 0.723 68.1 142.5 67.1 26.0 85.6 11.1 10.3 92 126 A L H >< + 0 0 7 -5,-1.0 4,-2.6 -6,-0.6 5,-0.2 0.799 56.8 65.2 -80.8 -25.9 89.0 10.2 11.7 93 127 A D H > S+ 0 0 49 -6,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.985 112.4 34.6 -58.0 -55.5 90.6 9.1 8.4 94 128 A P H > S+ 0 0 18 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.876 116.2 55.7 -71.2 -27.3 90.4 12.6 7.0 95 129 A S H < S+ 0 0 4 -4,-1.6 -2,-0.2 1,-0.2 3,-0.2 0.921 118.2 34.4 -64.9 -38.6 91.0 14.3 10.3 96 130 A L H < S+ 0 0 0 -4,-2.6 40,-2.9 1,-0.2 -1,-0.2 0.688 133.0 19.3 -83.7 -24.6 94.3 12.3 10.8 97 131 A D H < + 0 0 9 -4,-1.7 -2,-0.2 38,-0.3 -1,-0.2 -0.096 66.8 164.3-157.9 44.4 95.5 12.1 7.2 98 132 A S < - 0 0 9 -4,-0.8 39,-0.3 33,-0.4 40,-0.1 -0.437 26.5-139.1 -71.9 140.4 94.3 14.5 4.6 99 133 A W S S+ 0 0 51 -2,-0.2 2,-0.1 1,-0.1 166,-0.1 -0.979 71.5 29.4-147.9 139.5 96.2 14.8 1.3 100 134 A P S S- 0 0 88 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.676 84.1-136.5 -75.8-180.0 96.9 17.2 -0.4 101 135 A L - 0 0 16 -2,-0.1 2,-1.5 36,-0.1 3,-0.2 -0.615 17.5-114.4-100.5 155.7 97.2 20.1 2.0 102 136 A D > + 0 0 16 30,-2.1 4,-2.1 -2,-0.2 3,-0.2 -0.685 39.6 178.7 -85.2 85.2 96.0 23.7 1.8 103 137 A K H > S+ 0 0 86 -2,-1.5 4,-2.0 1,-0.2 5,-0.2 0.854 74.5 54.5 -64.5 -37.2 99.5 25.1 1.7 104 138 A N H > S+ 0 0 127 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.926 109.3 47.9 -62.7 -41.7 98.3 28.7 1.3 105 139 A G H > S+ 0 0 3 2,-0.2 4,-2.4 -3,-0.2 -2,-0.2 0.881 109.6 53.1 -65.2 -37.7 96.1 28.4 4.5 106 140 A I H X S+ 0 0 11 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.952 111.0 46.8 -60.3 -48.5 99.0 26.8 6.5 107 141 A E H X S+ 0 0 142 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.872 111.1 53.0 -60.6 -38.0 101.3 29.7 5.5 108 142 A E H X S+ 0 0 93 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.914 108.6 48.0 -65.8 -44.8 98.6 32.1 6.5 109 143 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.915 107.2 56.4 -65.2 -38.9 98.1 30.6 9.9 110 144 A I H < S+ 0 0 35 -4,-2.5 50,-0.2 1,-0.2 -1,-0.2 0.889 114.1 41.7 -58.8 -35.5 101.9 30.7 10.5 111 145 A A H < S+ 0 0 80 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.854 126.2 29.3 -78.2 -40.4 101.7 34.4 9.8 112 146 A T H < S- 0 0 83 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.747 91.0-133.4 -97.2 -28.4 98.5 35.4 11.7 113 147 A G < + 0 0 24 -4,-2.9 2,-2.1 -5,-0.3 3,-0.2 0.673 49.8 152.1 78.4 20.0 98.5 32.8 14.4 114 148 A E > + 0 0 98 -6,-0.2 3,-1.8 1,-0.2 -1,-0.2 -0.415 8.7 163.9 -81.4 67.5 94.8 32.1 13.9 115 149 A F G > + 0 0 41 -2,-2.1 3,-2.3 1,-0.3 4,-0.4 0.759 57.3 80.1 -63.8 -23.0 95.1 28.5 15.1 116 150 A S G > S+ 0 0 85 1,-0.3 3,-0.8 -3,-0.2 4,-0.4 0.738 79.9 70.6 -52.0 -26.2 91.3 28.1 15.6 117 151 A K G < S+ 0 0 50 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.618 98.2 49.2 -66.3 -13.8 91.1 27.4 11.8 118 152 A I G < S+ 0 0 6 -3,-2.3 -1,-0.2 -4,-0.1 -2,-0.2 0.589 100.8 59.4-104.5 -10.0 92.8 24.0 12.3 119 153 A S S < S+ 0 0 70 -3,-0.8 -2,-0.1 -4,-0.4 -1,-0.1 0.386 79.7 108.8-108.3 -1.0 90.9 22.5 15.1 120 154 A G S S- 0 0 26 -4,-0.4 3,-0.1 1,-0.1 2,-0.1 -0.043 77.7 -74.5 -68.6 176.9 87.4 22.4 13.6 121 155 A A - 0 0 80 1,-0.1 10,-0.2 9,-0.1 -1,-0.1 -0.357 61.3 -85.8 -67.7 151.5 85.3 19.5 12.3 122 156 A V + 0 0 21 8,-0.1 2,-0.3 7,-0.1 -1,-0.1 -0.350 46.5 179.7 -56.0 130.4 86.1 17.8 9.0 123 157 A D > - 0 0 74 3,-0.1 3,-1.4 -3,-0.1 6,-0.2 -0.795 7.6-172.6-138.0 100.1 84.5 19.6 6.1 124 158 A E T 3 S+ 0 0 124 -2,-0.3 5,-0.1 1,-0.3 -1,-0.1 0.648 77.7 54.3 -75.1 -19.8 85.4 18.0 2.8 125 159 A D T 3 S+ 0 0 146 3,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.183 89.1 80.1-104.0 15.0 83.9 20.6 0.4 126 160 A A S X S- 0 0 27 -3,-1.4 3,-1.7 1,-0.1 -3,-0.1 -0.967 73.1-142.4-110.0 135.9 85.6 23.8 1.7 127 161 A E T 3 S+ 0 0 147 -2,-0.4 -1,-0.1 1,-0.3 5,-0.1 0.893 107.0 45.4 -68.0 -35.4 89.3 24.2 0.3 128 162 A D T 3 S+ 0 0 76 -3,-0.1 -1,-0.3 -23,-0.0 5,-0.1 -0.128 82.8 149.0 -91.6 29.6 90.3 25.6 3.7 129 163 A G X - 0 0 1 -3,-1.7 3,-1.6 -6,-0.2 4,-0.2 -0.442 60.6-115.2 -58.1 142.4 88.4 22.8 5.6 130 164 A P G > S+ 0 0 21 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.826 110.7 67.5 -54.5 -33.9 90.2 22.3 8.8 131 165 A Q G > S+ 0 0 0 1,-0.3 3,-0.9 -10,-0.2 -33,-0.4 0.775 95.6 56.2 -57.6 -28.7 91.3 18.8 7.9 132 166 A N G < S+ 0 0 27 -3,-1.6 -30,-2.1 1,-0.2 -1,-0.3 0.365 104.6 54.1 -88.5 3.2 93.5 20.1 5.1 133 167 A L G < S+ 0 0 0 -3,-2.2 -1,-0.2 -4,-0.2 2,-0.2 0.211 115.4 28.3-115.1 9.8 95.4 22.3 7.6 134 168 A R S <> S+ 0 0 2 -3,-0.9 4,-0.5 -4,-0.2 3,-0.3 -0.611 72.5 79.5-143.8-160.2 96.3 19.5 10.0 135 169 A G H >> S- 0 0 2 33,-0.2 4,-1.8 1,-0.2 3,-1.0 -0.084 93.3 -37.1 85.0-178.3 97.0 15.7 10.3 136 170 A F H 3> S+ 0 0 0 -40,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.804 133.9 51.2 -49.0 -39.5 100.1 13.5 9.6 137 171 A H H 3> S+ 0 0 0 -39,-0.3 4,-1.9 -3,-0.3 -1,-0.2 0.769 104.9 52.7 -82.3 -22.1 101.1 15.5 6.5 138 172 A T H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 3,-0.6 0.947 114.1 52.4 -54.7 -45.7 103.4 17.6 10.9 140 174 A E H 3X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.3 3,-0.3 0.883 104.8 53.8 -57.2 -46.4 105.5 15.9 8.1 141 175 A K H 3< S+ 0 0 97 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.815 114.4 41.9 -64.8 -31.6 105.8 19.1 6.1 142 176 A X H << S+ 0 0 4 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.649 119.0 43.3 -87.0 -22.5 107.2 20.9 9.2 143 177 A L H < S+ 0 0 0 -4,-1.6 7,-2.6 -3,-0.3 2,-0.3 0.712 113.3 45.6 -92.8 -24.3 109.5 18.0 10.4 144 178 A F E < -B 149 0B 5 -4,-2.1 2,-0.4 5,-0.3 125,-0.1 -0.865 52.1-164.4-127.9 148.1 111.0 16.9 7.2 145 179 A L E > S-B 148 0B 99 3,-3.0 3,-1.8 -2,-0.3 123,-0.1 -0.952 78.8 -32.4-136.6 121.0 112.7 18.3 4.0 146 180 A D T 3 S- 0 0 65 -2,-0.4 123,-0.2 1,-0.3 122,-0.1 0.844 128.8 -35.8 33.2 55.7 113.0 16.0 1.0 147 181 A G T 3 S+ 0 0 12 121,-2.7 -1,-0.3 1,-0.2 122,-0.2 0.249 123.0 79.7 99.0 -10.7 113.5 12.8 3.0 148 182 A E E < S-B 145 0B 138 -3,-1.8 -3,-3.0 120,-0.3 -1,-0.2 -0.852 90.5 -77.9-127.5 160.0 115.5 14.1 6.0 149 183 A P E -B 144 0B 58 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.271 64.1 -98.1 -48.6 136.9 115.0 15.8 9.2 150 184 A R - 0 0 25 -7,-2.6 2,-0.7 1,-0.1 -87,-0.1 -0.258 35.3-115.1 -58.0 146.3 114.5 19.5 8.5 151 185 A D > - 0 0 64 1,-0.1 4,-2.6 -3,-0.1 -1,-0.1 -0.796 18.3-150.7 -91.8 120.6 117.6 21.5 8.9 152 186 A L T 4 S+ 0 0 29 -2,-0.7 5,-0.3 1,-0.2 -1,-0.1 0.722 95.3 33.1 -67.2 -18.3 117.1 24.0 11.8 153 187 A E T 4 S+ 0 0 144 3,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.805 118.3 51.7-102.0 -39.9 119.5 26.7 10.4 154 188 A T T 4 S+ 0 0 112 1,-0.3 -2,-0.2 -4,-0.0 -4,-0.0 0.914 131.2 15.3 -60.8 -44.0 118.9 26.1 6.6 155 189 A S S < S- 0 0 33 -4,-2.6 -1,-0.3 -10,-0.0 -2,-0.1 -0.675 91.0-157.1-132.0 77.6 115.0 26.4 7.0 156 190 A P - 0 0 86 0, 0.0 -3,-0.1 0, 0.0 2,-0.1 -0.246 16.3-112.9 -68.6 143.5 114.4 27.9 10.3 157 191 A F - 0 0 37 -5,-0.3 2,-0.3 1,-0.0 3,-0.0 -0.430 20.7-130.1 -63.5 138.2 111.1 27.5 12.2 158 192 A A > - 0 0 38 1,-0.1 4,-1.6 -2,-0.1 3,-0.4 -0.713 23.6-120.9 -76.8 143.5 108.7 30.4 12.8 159 193 A K H > S+ 0 0 202 -2,-0.3 4,-1.5 1,-0.3 3,-0.2 0.886 116.8 49.1 -51.2 -44.9 107.7 30.7 16.5 160 194 A N H > S+ 0 0 58 -50,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.842 104.5 58.3 -65.1 -33.7 104.0 30.3 15.3 161 195 A E H > S+ 0 0 23 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.841 103.5 53.3 -68.9 -31.4 104.9 27.3 13.2 162 196 A L H X S+ 0 0 41 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.915 109.9 46.0 -67.7 -46.0 106.2 25.5 16.4 163 197 A E H X S+ 0 0 69 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.899 111.2 54.3 -62.6 -35.0 103.0 26.1 18.2 164 198 A Y H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.979 107.1 50.5 -60.9 -52.1 101.2 24.9 15.0 165 199 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.840 110.4 50.2 -51.9 -42.5 103.2 21.6 15.1 166 200 A K H X S+ 0 0 64 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.933 111.8 47.3 -64.3 -44.9 102.3 21.1 18.7 167 201 A L H X S+ 0 0 47 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.909 111.5 50.1 -67.3 -41.4 98.5 21.7 18.0 168 202 A V H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 -33,-0.2 0.917 112.3 47.5 -58.6 -44.4 98.5 19.4 15.1 169 203 A S H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.844 108.4 54.8 -71.6 -34.4 100.3 16.7 17.1 170 204 A E H X S+ 0 0 88 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.901 112.3 45.2 -56.3 -44.5 97.8 17.1 20.1 171 205 A R H X S+ 0 0 65 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.864 106.9 56.3 -76.0 -33.6 95.0 16.5 17.6 172 206 A X H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.954 112.7 44.6 -58.1 -45.8 96.8 13.5 16.0 173 207 A L H X S+ 0 0 26 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.902 112.0 51.3 -62.5 -45.8 96.9 11.9 19.6 174 208 A S H X S+ 0 0 45 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.908 110.2 48.2 -60.8 -44.9 93.3 12.9 20.3 175 209 A D H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.918 112.2 51.0 -64.2 -41.0 92.0 11.3 17.1 176 210 A T H X S+ 0 0 1 -4,-2.1 4,-2.3 -5,-0.2 5,-0.2 0.899 109.0 49.8 -64.1 -44.7 94.0 8.2 17.8 177 211 A Q H X S+ 0 0 77 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.926 111.4 49.9 -55.0 -46.2 92.6 7.9 21.3 178 212 A D H X S+ 0 0 57 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.915 110.4 50.9 -64.2 -37.1 89.1 8.3 19.8 179 213 A L H X S+ 0 0 1 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.923 115.7 38.8 -63.9 -50.6 89.8 5.6 17.2 180 214 A Y H X S+ 0 0 34 -4,-2.3 4,-2.9 2,-0.2 3,-0.3 0.963 120.2 46.0 -70.8 -49.4 91.1 3.0 19.8 181 215 A N H X>S+ 0 0 39 -4,-2.7 4,-2.9 -5,-0.2 5,-1.8 0.858 107.0 59.3 -58.5 -38.7 88.5 3.9 22.4 182 216 A G H <5S+ 0 0 0 -4,-2.8 14,-1.5 -5,-0.3 -1,-0.2 0.906 114.4 36.0 -59.1 -41.6 85.7 3.9 19.8 183 217 A W H <5S+ 0 0 0 -4,-1.5 14,-2.2 -3,-0.3 15,-0.5 0.920 122.1 45.6 -71.3 -45.8 86.5 0.3 19.0 184 218 A L H <5S- 0 0 73 -4,-2.9 -2,-0.2 11,-0.2 -3,-0.2 0.887 141.4 -15.4 -71.7 -44.9 87.3 -0.8 22.6 185 219 A K T <5S- 0 0 143 -4,-2.9 10,-0.5 -5,-0.2 -3,-0.2 0.385 95.1-107.2-140.6 -0.4 84.4 0.9 24.5 186 220 A G < - 0 0 8 -5,-1.8 9,-0.2 8,-0.3 8,-0.1 -0.061 19.4-110.0 78.7 165.3 82.7 3.5 22.3 187 221 A L - 0 0 49 5,-2.0 -1,-0.1 7,-0.2 7,-0.1 0.479 40.1-123.4-109.2 -12.3 82.9 7.3 22.6 188 222 A G + 0 0 66 4,-1.0 2,-0.2 5,-0.5 6,-0.1 0.777 68.7 128.1 72.0 25.3 79.3 7.9 23.8 189 223 A T S S- 0 0 69 3,-1.4 -1,-0.2 5,-0.1 -2,-0.1 -0.572 76.9-102.4-104.2 172.9 78.6 10.2 20.9 190 224 A S S S+ 0 0 120 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 0.899 122.8 41.5 -57.0 -44.2 75.7 10.2 18.4 191 225 A D S S+ 0 0 92 1,-0.2 -1,-0.2 2,-0.1 -102,-0.1 0.746 130.3 24.0 -75.8 -32.0 78.0 8.6 15.7 192 226 A V S S+ 0 0 0 1,-0.1 -5,-2.0 -103,-0.1 -3,-1.4 -0.639 70.3 154.4-137.2 76.4 79.9 6.1 17.9 193 227 A P + 0 0 72 0, 0.0 -5,-0.5 0, 0.0 2,-0.2 0.910 63.2 16.9 -74.1 -43.2 77.7 5.3 20.9 194 228 A S S S- 0 0 50 -8,-0.1 -8,-0.3 -7,-0.1 -7,-0.2 -0.652 101.4 -56.8-128.3 176.1 79.0 1.9 21.9 195 229 A S > - 0 0 13 -10,-0.5 4,-1.8 -2,-0.2 -12,-0.2 -0.336 35.0-159.9 -61.0 129.3 81.9 -0.5 21.3 196 230 A Y H > S+ 0 0 8 -14,-1.5 4,-2.6 2,-0.2 -13,-0.2 0.863 92.8 57.4 -77.9 -34.1 82.5 -1.2 17.6 197 231 A A H > S+ 0 0 1 -14,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.892 109.4 45.1 -60.2 -42.7 84.5 -4.3 18.5 198 232 A E H > S+ 0 0 93 -15,-0.5 4,-3.2 2,-0.2 5,-0.3 0.927 110.7 51.7 -70.1 -44.4 81.5 -5.7 20.4 199 233 A A H X S+ 0 0 6 -4,-1.8 4,-2.2 1,-0.2 5,-0.3 0.925 113.2 47.4 -59.8 -40.6 79.0 -4.8 17.7 200 234 A X H < S+ 0 0 0 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.932 113.0 47.1 -65.3 -42.9 81.2 -6.6 15.2 201 235 A K H < S+ 0 0 46 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.927 118.2 41.7 -65.4 -39.4 81.6 -9.7 17.5 202 236 A K H < S- 0 0 109 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.2 0.827 78.5-177.7 -74.7 -33.5 77.9 -9.9 18.2 203 237 A H < + 0 0 28 -4,-2.2 12,-0.1 -5,-0.3 -3,-0.1 0.812 38.5 126.5 33.8 49.9 76.8 -9.1 14.6 204 238 A D S S- 0 0 93 -5,-0.3 7,-0.2 8,-0.1 -1,-0.1 0.277 83.8-102.5-116.9 11.2 73.2 -9.3 15.7 205 239 A G S S+ 0 0 43 5,-2.5 4,-0.2 2,-0.3 6,-0.2 0.521 87.6 120.9 80.0 8.5 71.9 -5.8 14.4 206 240 A S S S+ 0 0 77 4,-0.3 2,-0.3 1,-0.2 5,-0.1 0.821 79.4 13.8 -75.0 -29.0 72.0 -4.2 17.8 207 241 A A S > S+ 0 0 21 3,-0.3 3,-1.3 -8,-0.2 -2,-0.3 -0.999 122.7 5.0-148.3 146.5 74.5 -1.5 16.6 208 242 A Y T 3 S- 0 0 48 -2,-0.3 3,-0.1 1,-0.2 -123,-0.1 0.622 108.2 -80.4 62.4 17.8 76.0 0.0 13.5 209 243 A S T 3 S+ 0 0 106 1,-0.2 2,-1.0 -4,-0.2 -1,-0.2 0.811 82.8 145.4 63.4 29.0 73.8 -2.1 11.0 210 244 A I < + 0 0 6 -3,-1.3 -5,-2.5 1,-0.2 -3,-0.3 -0.877 22.7 174.0 -95.2 100.2 76.0 -5.2 11.3 211 245 A G - 0 0 32 -2,-1.0 2,-0.3 -7,-0.2 -1,-0.2 0.654 51.1 -10.2 -94.8 -22.5 73.0 -7.5 11.0 212 246 A N S >> S- 0 0 60 -3,-0.1 4,-1.4 -8,-0.1 3,-0.6 -0.957 78.6 -85.6-168.1 174.7 74.4 -11.0 10.9 213 247 A V H 3> S+ 0 0 0 -2,-0.3 4,-2.2 1,-0.3 5,-0.2 0.799 121.6 58.2 -67.9 -31.2 77.7 -12.8 10.5 214 248 A Y H 3> S+ 0 0 99 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.859 105.3 51.7 -63.9 -36.7 77.7 -12.7 6.7 215 249 A Q H <> S+ 0 0 79 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.883 107.3 52.7 -66.7 -35.6 77.5 -8.9 6.9 216 250 A A H X S+ 0 0 0 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.929 112.2 43.6 -65.5 -48.8 80.5 -8.8 9.2 217 251 A I H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.892 112.6 53.0 -59.6 -45.7 82.7 -10.9 6.8 218 252 A E H X S+ 0 0 81 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.895 106.6 55.3 -58.0 -37.5 81.4 -8.8 3.8 219 253 A L H >< S+ 0 0 40 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.904 104.7 51.6 -61.8 -42.7 82.4 -5.7 5.8 220 254 A X H 3< S+ 0 0 3 -4,-1.5 7,-2.5 1,-0.2 -1,-0.2 0.882 118.0 38.3 -61.4 -39.1 86.0 -7.0 6.2 221 255 A L H 3< S+ 0 0 0 -4,-1.5 7,-1.5 5,-0.2 -1,-0.2 0.550 91.0 133.1 -89.3 -8.3 86.3 -7.6 2.4 222 256 A N S+ 0 0 1 -7,-2.5 4,-2.0 1,-0.2 3,-0.2 0.920 134.1 44.3 -58.9 -47.4 90.2 -5.0 2.1 228 262 A A H > S+ 0 0 7 -7,-1.5 4,-1.9 1,-0.2 -5,-0.3 0.797 108.2 61.2 -69.9 -24.5 89.2 -4.5 -1.6 229 263 A G H > S+ 0 0 8 -7,-1.6 4,-2.0 -3,-0.3 -1,-0.2 0.950 107.9 41.9 -63.2 -48.4 89.0 -0.7 -1.0 230 264 A I H X S+ 0 0 6 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.909 112.4 52.4 -73.6 -39.6 92.6 -0.4 -0.1 231 265 A S H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 5,-0.2 0.929 115.1 44.0 -54.6 -45.7 94.0 -2.8 -2.8 232 266 A N H X S+ 0 0 73 -4,-1.9 4,-2.5 -5,-0.2 5,-0.4 0.860 113.8 49.6 -69.3 -36.5 92.1 -0.7 -5.3 233 267 A E H X>S+ 0 0 91 -4,-2.0 5,-2.6 2,-0.2 4,-1.8 0.897 109.2 50.6 -70.6 -45.4 93.1 2.6 -3.8 234 268 A V H <>S+ 0 0 0 -4,-3.0 5,-1.9 3,-0.2 6,-0.4 0.957 120.3 36.5 -55.1 -48.9 96.9 1.8 -3.7 235 269 A G H <>S+ 0 0 4 -4,-1.8 5,-1.2 -5,-0.3 -2,-0.2 0.975 127.8 30.5 -73.7 -54.4 96.9 0.7 -7.3 236 270 A S H <5S+ 0 0 59 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.781 134.1 18.8 -77.2 -33.5 94.4 3.1 -9.0 237 271 A A T X5S+ 0 0 21 -4,-1.8 4,-1.3 -5,-0.4 -3,-0.2 0.849 123.0 40.5-103.3 -60.2 94.9 6.2 -6.8 238 272 A K T 4 S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.865 114.0 52.1 -64.9 -33.9 100.9 10.8 -9.5 243 277 A V H X S+ 0 0 20 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.911 107.3 51.8 -69.1 -38.4 102.3 8.8 -12.5 244 278 A T H X S+ 0 0 89 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.959 112.0 46.3 -61.7 -46.0 99.5 10.2 -14.7 245 279 A A H < S+ 0 0 29 -4,-1.9 4,-0.4 1,-0.2 15,-0.4 0.908 112.3 51.3 -60.3 -45.7 100.4 13.7 -13.6 246 280 A W H >< S+ 0 0 21 -4,-2.6 3,-1.4 13,-0.2 5,-0.4 0.896 105.6 55.2 -58.1 -45.2 104.1 13.1 -14.1 247 281 A N H 3< S+ 0 0 82 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.873 109.0 47.0 -58.9 -39.9 103.5 11.8 -17.6 248 282 A G T 3< S+ 0 0 76 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.544 108.5 80.4 -72.0 -7.3 101.7 15.0 -18.6 249 283 A S S < S- 0 0 28 -3,-1.4 -3,-0.1 -4,-0.4 9,-0.1 -0.132 97.8 -92.8 -98.2-172.6 104.6 17.1 -17.0 250 284 A N - 0 0 100 2,-0.1 3,-0.1 1,-0.0 -3,-0.1 0.513 55.0-130.0 -72.4 -7.4 108.1 18.4 -17.7 251 285 A K + 0 0 115 -5,-0.4 2,-0.6 1,-0.2 -5,-0.1 0.804 60.2 139.8 56.9 37.8 109.5 15.2 -16.0 252 286 A D > - 0 0 65 1,-0.1 3,-1.3 3,-0.1 6,-0.2 -0.930 35.2-169.4-112.4 101.1 111.9 17.2 -13.8 253 287 A A T 3 S+ 0 0 19 -2,-0.6 -1,-0.1 1,-0.2 5,-0.1 0.689 86.6 58.3 -64.6 -21.8 111.9 15.7 -10.2 254 288 A T T 3 S+ 0 0 119 84,-0.1 -1,-0.2 3,-0.0 84,-0.0 0.550 79.2 102.6 -84.1 -10.2 113.8 18.7 -8.9 255 289 A D X - 0 0 43 -3,-1.3 3,-2.3 1,-0.1 6,-0.1 -0.657 67.5-146.8 -78.3 113.2 111.1 21.3 -10.0 256 290 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.637 95.9 49.8 -57.2 -15.5 109.2 22.2 -6.8 257 291 A N T 3 S+ 0 0 114 4,-0.0 -2,-0.0 5,-0.0 -3,-0.0 0.324 72.4 135.7-105.2 11.0 105.9 22.6 -8.9 258 292 A N <> - 0 0 0 -3,-2.3 4,-2.7 -6,-0.2 5,-0.2 -0.380 50.6-146.0 -57.8 119.8 106.0 19.3 -10.7 259 293 A P H > S+ 0 0 65 0, 0.0 4,-1.4 0, 0.0 -13,-0.2 0.808 96.2 53.3 -65.6 -29.3 102.4 18.0 -10.5 260 294 A G H > S+ 0 0 0 -15,-0.4 4,-0.7 2,-0.2 3,-0.4 0.967 111.7 44.0 -63.3 -54.5 103.6 14.4 -10.3 261 295 A V H >4 S+ 0 0 5 1,-0.2 3,-2.0 2,-0.2 6,-0.2 0.964 113.1 53.0 -54.9 -50.9 105.9 15.1 -7.4 262 296 A L H 3< S+ 0 0 44 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.752 104.8 55.0 -59.6 -28.6 103.2 17.2 -5.7 263 297 A A H 3< S+ 0 0 40 -4,-1.4 2,-0.7 -3,-0.4 -1,-0.3 0.606 82.4 105.2 -79.8 -11.1 100.6 14.4 -6.0 264 298 A V S X< S- 0 0 0 -3,-2.0 3,-1.5 -4,-0.7 2,-0.2 -0.589 71.8-134.3 -76.2 108.8 102.8 11.8 -4.2 265 299 A E T 3 S+ 0 0 29 -2,-0.7 10,-0.1 1,-0.2 -2,-0.1 -0.473 87.6 14.3 -60.6 128.5 101.5 11.3 -0.6 266 300 A S T 3>>S+ 0 0 0 -2,-0.2 5,-2.1 4,-0.1 4,-1.0 0.636 79.5 134.0 74.3 24.3 104.5 11.4 1.9 267 301 A W T <45 + 0 0 36 -3,-1.5 -120,-0.1 3,-0.2 -2,-0.1 0.773 61.8 69.1 -65.8 -23.6 107.0 12.9 -0.5 268 302 A Y T 45S+ 0 0 15 1,-0.2 -121,-2.7 -4,-0.2 -120,-0.3 0.941 118.4 19.8 -58.6 -41.0 108.1 15.3 2.2 269 303 A S T 45S- 0 0 0 -3,-0.3 -1,-0.2 -123,-0.2 -2,-0.2 0.410 105.2-117.9-108.1 -2.3 109.6 12.5 4.2 270 304 A W T <5S+ 0 0 60 -4,-1.0 -3,-0.2 1,-0.1 4,-0.1 0.960 73.3 131.1 58.3 52.0 110.0 9.8 1.4 271 305 A N >< + 0 0 6 -5,-2.1 4,-2.4 2,-0.1 5,-0.1 0.244 32.2 105.0-111.8 13.4 107.6 7.5 3.2 272 306 A S H > S+ 0 0 2 -6,-0.5 4,-2.8 1,-0.2 5,-0.2 0.944 79.4 43.0 -69.7 -52.7 105.5 6.7 0.2 273 307 A L H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.865 114.1 52.1 -61.1 -38.7 106.6 3.2 -0.6 274 308 A D H > S+ 0 0 72 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.938 110.7 50.3 -61.3 -42.9 106.6 2.1 3.0 275 309 A D H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.965 111.6 46.2 -56.6 -51.2 103.0 3.5 3.2 276 310 A Y H X S+ 0 0 1 -4,-2.8 4,-1.3 1,-0.3 -1,-0.2 0.914 113.8 47.6 -65.2 -44.9 101.9 1.5 0.2 277 311 A K H X S+ 0 0 54 -4,-2.3 4,-2.4 2,-0.2 3,-0.3 0.894 111.5 52.2 -53.9 -45.3 103.5 -1.7 1.3 278 312 A N H X S+ 0 0 4 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.904 103.3 57.6 -67.2 -37.1 102.0 -1.2 4.8 279 313 A N H X S+ 0 0 0 -4,-2.7 4,-0.9 2,-0.2 -1,-0.2 0.837 110.0 44.0 -55.2 -35.3 98.5 -0.8 3.2 280 314 A I H X S+ 0 0 0 -4,-1.3 4,-1.9 -3,-0.3 3,-0.4 0.867 106.7 59.8 -82.4 -29.8 98.9 -4.2 1.6 281 315 A V H X S+ 0 0 19 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.907 99.0 60.5 -60.0 -36.4 100.3 -5.7 4.9 282 316 A S H X S+ 0 0 0 -4,-2.2 4,-1.8 -205,-0.2 -1,-0.2 0.910 105.6 45.7 -55.3 -42.2 97.0 -4.6 6.3 283 317 A I H X S+ 0 0 0 -4,-0.9 4,-2.3 -3,-0.4 -1,-0.2 0.907 112.5 51.5 -63.5 -43.1 95.2 -6.9 3.8 284 318 A K H X S+ 0 0 37 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.908 109.8 47.7 -64.1 -46.4 97.6 -9.7 4.6 285 319 A N H X>S+ 0 0 0 -4,-2.9 5,-1.5 1,-0.2 4,-0.9 0.889 113.2 50.1 -58.7 -45.6 97.1 -9.4 8.3 286 320 A A H <5S+ 0 0 3 -4,-1.8 17,-0.5 -5,-0.3 -2,-0.2 0.851 112.5 45.7 -59.8 -42.4 93.4 -9.4 7.8 287 321 A Y H <5S+ 0 0 0 -4,-2.3 17,-2.4 1,-0.2 18,-0.3 0.828 118.7 39.9 -76.9 -38.2 93.4 -12.5 5.5 288 322 A F H <5S- 0 0 4 -4,-2.1 11,-2.2 2,-0.2 -1,-0.2 0.455 110.1-120.2 -94.2 -5.1 95.7 -14.6 7.7 289 323 A G T <5S+ 0 0 5 -4,-0.9 2,-0.3 -5,-0.2 -3,-0.2 0.767 77.6 58.3 79.0 27.8 94.1 -13.5 11.0 290 324 A G S > > - 0 0 57 -2,-0.2 3,-1.9 -6,-0.1 4,-0.7 -0.784 47.6 -75.2-141.5-174.0 101.4 -15.4 6.6 295 329 A E G >4 S+ 0 0 81 1,-0.3 3,-0.8 -2,-0.2 -2,-0.0 0.893 129.1 50.8 -55.7 -44.8 100.2 -18.7 5.1 296 330 A E G 34 S+ 0 0 177 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.483 124.3 29.3 -74.3 -1.0 102.8 -20.8 7.0 297 331 A S G <4 S+ 0 0 58 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.227 89.5 144.4-140.3 14.6 101.8 -19.2 10.3 298 332 A A << - 0 0 30 -3,-0.8 -9,-0.2 -4,-0.7 2,-0.1 -0.126 52.4-109.2 -63.5 148.3 98.1 -18.4 9.7 299 333 A S - 0 0 33 -11,-2.2 6,-0.3 1,-0.1 3,-0.3 -0.430 19.8-129.9 -68.1 148.3 95.3 -18.6 12.4 300 334 A E S S+ 0 0 166 1,-0.3 2,-1.0 -2,-0.1 -1,-0.1 0.792 106.9 60.4 -75.0 -26.0 92.8 -21.4 11.9 301 335 A S S S+ 0 0 33 -279,-0.1 2,-0.3 -12,-0.1 -1,-0.3 -0.615 86.8 115.6 -96.7 74.1 90.0 -18.9 12.3 302 336 A S S > S- 0 0 2 -2,-1.0 4,-2.2 -3,-0.3 5,-0.1 -0.919 80.5-114.4-133.1 160.1 91.0 -16.8 9.3 303 337 A L H > S+ 0 0 0 -17,-0.5 4,-3.1 -2,-0.3 5,-0.2 0.807 119.3 61.8 -59.2 -33.7 89.5 -15.8 5.9 304 338 A H H > S+ 0 0 13 -17,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.943 103.9 45.2 -56.1 -50.5 92.5 -17.9 4.7 305 339 A A H > S+ 0 0 15 -6,-0.3 4,-2.3 -18,-0.3 -2,-0.2 0.938 114.6 47.8 -63.1 -46.0 91.3 -21.0 6.3 306 340 A L H X S+ 0 0 6 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.941 113.3 47.6 -65.6 -43.2 87.7 -20.5 5.2 307 341 A T H X S+ 0 0 3 -4,-3.1 4,-3.5 2,-0.2 8,-0.3 0.921 109.9 52.8 -60.7 -44.6 88.7 -19.8 1.6 308 342 A K H < S+ 0 0 112 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.950 110.5 48.4 -53.0 -50.3 91.0 -22.8 1.5 309 343 A X H < S+ 0 0 64 -4,-2.3 -296,-0.4 1,-0.2 -1,-0.2 0.859 116.5 42.8 -55.4 -42.8 88.1 -25.0 2.7 310 344 A I H < S- 0 0 9 -4,-2.1 -299,-3.8 1,-0.2 -298,-0.4 0.929 140.4 -8.0 -75.1 -46.2 85.7 -23.5 0.0 311 345 A N X - 0 0 2 -4,-3.5 4,-2.1 -301,-0.2 3,-0.4 -0.704 56.1-163.0-156.1 96.8 88.3 -23.6 -2.9 312 346 A P H > S+ 0 0 77 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.808 93.6 54.1 -51.2 -33.0 92.0 -24.5 -2.3 313 347 A T H > S+ 0 0 41 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.913 107.4 48.4 -70.3 -45.4 93.0 -23.0 -5.7 314 348 A L H > S+ 0 0 1 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.931 114.5 46.8 -60.7 -45.8 91.4 -19.6 -5.0 315 349 A D H X S+ 0 0 4 -4,-2.1 4,-2.8 -8,-0.3 -2,-0.2 0.928 112.2 49.7 -61.3 -45.0 93.1 -19.4 -1.6 316 350 A S H X S+ 0 0 61 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.916 109.5 51.7 -62.8 -38.5 96.4 -20.5 -3.2 317 351 A L H X S+ 0 0 40 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.823 111.4 48.6 -66.7 -30.9 96.0 -17.8 -5.8 318 352 A X H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.841 107.1 53.7 -73.2 -42.3 95.4 -15.2 -3.0 319 353 A V H X S+ 0 0 17 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.965 113.4 43.8 -55.1 -52.1 98.4 -16.3 -1.0 320 354 A V H X S+ 0 0 82 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.919 113.8 51.4 -59.0 -43.6 100.6 -15.8 -4.2 321 355 A Q H X S+ 0 0 11 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.841 104.5 52.8 -72.7 -37.3 98.9 -12.5 -5.0 322 356 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.976 116.3 42.2 -58.6 -51.9 99.3 -10.7 -1.6 323 357 A D H X S+ 0 0 62 -4,-1.6 4,-2.4 -5,-0.2 -2,-0.2 0.870 112.3 53.4 -63.8 -36.4 103.0 -11.5 -1.7 324 358 A K H X S+ 0 0 105 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.870 110.0 49.1 -65.3 -32.8 103.3 -10.6 -5.5 325 359 A T H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.932 113.5 44.5 -77.0 -43.9 101.7 -7.2 -4.7 326 360 A I H X S+ 0 0 14 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.899 114.1 49.9 -62.4 -47.5 104.0 -6.4 -1.8 327 361 A D H X S+ 0 0 104 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.902 111.5 49.5 -60.6 -39.2 107.1 -7.6 -3.7 328 362 A A H X S+ 0 0 9 -4,-2.0 4,-0.7 2,-0.2 3,-0.3 0.912 110.9 49.0 -68.1 -41.3 106.0 -5.4 -6.7 329 363 A I H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.967 111.8 49.7 -61.7 -49.2 105.6 -2.3 -4.5 330 364 A N H 3< S+ 0 0 89 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.698 103.7 59.7 -61.2 -25.9 109.0 -3.0 -2.9 331 365 A A H 3< S+ 0 0 51 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.658 80.7 106.7 -80.4 -17.4 110.8 -3.3 -6.3 332 366 A I S << S- 0 0 5 -3,-1.4 4,-0.1 -4,-0.7 2,-0.1 -0.398 87.5 -93.7 -61.0 141.0 109.7 0.3 -7.3 333 367 A G - 0 0 18 6,-0.2 6,-0.2 9,-0.1 5,-0.2 -0.320 55.0 -90.9 -63.6 135.8 112.6 2.6 -7.2 334 368 A Y S S+ 0 0 136 -4,-0.1 2,-0.1 4,-0.1 -1,-0.1 -0.764 104.4 27.9-103.1 140.0 113.1 4.5 -3.9 335 369 A P S > S- 0 0 8 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.671 76.5-147.1 -79.1 159.6 112.1 7.1 -3.1 336 370 A F G > S+ 0 0 2 1,-0.3 3,-1.9 2,-0.2 6,-0.1 0.856 94.8 67.0 -59.2 -39.5 108.9 7.1 -5.3 337 371 A R G 3 S+ 0 0 12 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.677 107.1 39.7 -57.8 -18.5 109.0 10.9 -5.8 338 372 A N G < S+ 0 0 71 -3,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.278 116.3 50.8-106.5 7.0 112.2 10.4 -7.8 339 373 A N X + 0 0 48 -3,-1.9 3,-2.1 -4,-0.2 -6,-0.2 -0.032 58.9 125.1-135.5 30.3 111.2 7.4 -9.7 340 374 A L T 3 S+ 0 0 2 1,-0.3 -1,-0.1 -3,-0.2 -93,-0.1 0.763 79.5 56.8 -65.6 -19.0 107.8 8.2 -11.1 341 375 A G T 3 S+ 0 0 44 1,-0.1 2,-1.6 -3,-0.1 -1,-0.3 0.156 70.0 112.2 -93.3 19.5 109.3 7.3 -14.5 342 376 A D <> + 0 0 39 -3,-2.1 4,-2.0 1,-0.2 3,-0.2 -0.413 46.9 170.9 -85.0 62.3 110.2 3.8 -13.3 343 377 A T H > + 0 0 82 -2,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.738 60.4 48.3 -56.4 -50.6 107.6 2.4 -15.7 344 378 A E H > S+ 0 0 166 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.953 116.7 42.5 -59.0 -53.8 108.1 -1.4 -15.8 345 379 A H H > S+ 0 0 83 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.869 113.8 52.8 -58.3 -40.8 108.2 -1.8 -11.9 346 380 A I H X S+ 0 0 4 -4,-2.0 4,-3.2 2,-0.2 5,-0.2 0.958 110.2 48.8 -63.0 -43.8 105.2 0.7 -11.5 347 381 A N H X S+ 0 0 69 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.884 108.7 50.4 -64.8 -43.5 103.1 -1.3 -14.0 348 382 A T H X S+ 0 0 78 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.889 114.0 49.1 -57.3 -38.0 103.8 -4.7 -12.4 349 383 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 -21,-0.3 -2,-0.2 0.961 113.3 42.8 -70.9 -50.3 102.8 -3.0 -9.1 350 384 A T H X S+ 0 0 23 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.901 115.1 50.6 -69.1 -36.1 99.5 -1.4 -10.4 351 385 A E H X S+ 0 0 116 -4,-2.9 4,-2.0 -5,-0.2 -1,-0.2 0.833 108.9 52.7 -63.2 -31.5 98.6 -4.7 -12.2 352 386 A A H X S+ 0 0 3 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.893 109.8 47.1 -74.8 -37.1 99.2 -6.6 -9.1 353 387 A C H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.884 110.9 52.6 -66.2 -37.4 96.9 -4.3 -7.0 354 388 A A H X S+ 0 0 52 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.944 112.0 45.6 -66.9 -43.3 94.2 -4.6 -9.7 355 389 A D H X S+ 0 0 70 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.828 109.9 53.7 -64.2 -33.1 94.5 -8.5 -9.6 356 390 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.928 108.5 52.5 -70.2 -37.7 94.4 -8.5 -5.7 357 391 A T H X S+ 0 0 31 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.912 109.3 46.8 -61.3 -45.6 91.2 -6.4 -6.0 358 392 A T H X S+ 0 0 51 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.926 113.0 50.8 -59.4 -45.2 89.6 -8.9 -8.3 359 393 A G H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 3,-0.3 0.922 108.1 50.2 -61.1 -48.3 90.7 -11.8 -6.1 360 394 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.862 107.3 57.0 -60.3 -35.5 89.2 -10.2 -2.9 361 395 A G H X S+ 0 0 31 -4,-1.7 4,-1.4 -5,-0.2 -1,-0.2 0.872 107.6 47.5 -56.9 -39.2 86.0 -9.7 -4.9 362 396 A V H X S+ 0 0 28 -4,-1.5 4,-1.1 -3,-0.3 3,-0.4 0.950 110.6 50.6 -73.5 -45.4 85.8 -13.4 -5.6 363 397 A V H >< S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.912 110.2 51.2 -54.9 -42.3 86.5 -14.3 -2.0 364 398 A K H >< S+ 0 0 57 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.830 100.1 63.9 -66.1 -32.4 83.7 -11.8 -1.0 365 399 A S H >< S+ 0 0 67 -4,-1.4 3,-1.2 -3,-0.4 -1,-0.3 0.786 87.6 70.1 -65.8 -25.8 81.3 -13.5 -3.4 366 400 A K T << S+ 0 0 59 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.1 0.244 104.3 43.4 -74.0 17.4 81.5 -16.8 -1.3 367 401 A F T < 0 0 6 -3,-1.3 -1,-0.2 -150,-0.0 -149,-0.2 -0.004 360.0 360.0-149.9 29.7 79.5 -14.9 1.5 368 402 A T < 0 0 120 -3,-1.2 -2,-0.1 -150,-0.0 -3,-0.1 0.261 360.0 360.0-154.2 360.0 76.7 -13.0 -0.4