==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 10-MAR-08 3CHK . COMPND 2 MOLECULE: ALPHA-14 GIARDIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GIARDIA LAMBLIA; . AUTHOR P.PATHURI,H.LUECKE . 303 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14442.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 73.3 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 . 0 0.0 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 . 5 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 61.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 0 0 0 5 2 2 3 0 3 1 3 1 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 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 . 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 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 11 A G >> 0 0 89 0, 0.0 4,-1.6 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 131.7 -13.7 9.5 49.7 2 12 A V H 3> + 0 0 52 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.816 360.0 55.0 -52.0 -39.1 -13.2 5.8 48.7 3 13 A T H 3> S+ 0 0 90 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.889 108.0 49.9 -69.0 -34.2 -15.6 6.0 45.9 4 14 A A H <> S+ 0 0 62 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.820 107.2 53.4 -67.4 -33.6 -13.7 9.0 44.4 5 15 A V H X S+ 0 0 18 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.920 105.2 55.8 -69.6 -38.1 -10.4 7.1 44.6 6 16 A V H X S+ 0 0 4 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.916 107.0 49.7 -53.6 -44.4 -12.0 4.3 42.7 7 17 A Q H X S+ 0 0 96 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.932 108.3 52.5 -63.2 -46.1 -12.8 6.9 40.0 8 18 A K H X S+ 0 0 76 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.835 109.8 49.2 -54.5 -42.0 -9.2 8.1 40.0 9 19 A V H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.949 109.8 50.8 -63.3 -51.2 -8.0 4.5 39.5 10 20 A V H X S+ 0 0 18 -4,-2.4 4,-1.4 1,-0.2 3,-0.3 0.935 113.8 45.0 -51.1 -50.2 -10.4 3.9 36.6 11 21 A E H X S+ 0 0 77 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.849 108.2 56.0 -66.0 -37.9 -9.2 7.1 34.9 12 22 A A H < S+ 0 0 0 -4,-2.0 6,-0.2 1,-0.2 -1,-0.2 0.818 111.6 45.9 -62.9 -30.5 -5.5 6.4 35.4 13 23 A C H < S+ 0 0 0 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.781 115.4 45.8 -80.5 -28.9 -6.2 3.1 33.7 14 24 A Q H < S+ 0 0 128 -4,-1.4 2,-0.4 -5,-0.2 -2,-0.2 0.444 107.6 60.2 -98.4 -2.8 -8.2 4.7 30.8 15 25 A D >< - 0 0 63 -4,-1.1 3,-1.7 -5,-0.1 4,-0.2 -0.985 67.0-150.8-129.6 122.0 -5.8 7.7 30.1 16 26 A E G > S+ 0 0 177 -2,-0.4 3,-0.9 1,-0.3 -1,-0.1 0.815 98.8 54.5 -54.3 -36.8 -2.2 7.1 29.0 17 27 A S G 3 S+ 0 0 100 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.478 104.9 53.8 -78.8 -4.9 -1.2 10.4 30.6 18 28 A K G X + 0 0 82 -3,-1.7 3,-2.0 -6,-0.2 4,-0.3 0.289 69.5 111.2-115.2 8.7 -2.6 9.5 34.0 19 29 A R T X S+ 0 0 43 -3,-0.9 3,-1.7 1,-0.3 4,-0.4 0.831 71.3 61.1 -57.0 -39.6 -0.8 6.2 34.6 20 30 A L T 3> S+ 0 0 52 1,-0.3 4,-2.3 2,-0.2 3,-0.4 0.592 83.3 79.7 -67.3 -10.9 1.4 7.5 37.5 21 31 A D H <> S+ 0 0 48 -3,-2.0 4,-2.7 1,-0.2 -1,-0.3 0.817 86.0 62.2 -59.4 -30.0 -1.8 8.3 39.5 22 32 A L H <> S+ 0 0 0 -3,-1.7 4,-1.6 -4,-0.3 -1,-0.2 0.840 106.7 43.1 -62.4 -38.3 -1.8 4.6 40.3 23 33 A I H > S+ 0 0 0 -3,-0.4 4,-2.2 -4,-0.4 5,-0.2 0.875 111.0 54.1 -77.4 -40.7 1.6 5.0 42.0 24 34 A E H X S+ 0 0 64 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.936 110.1 47.8 -56.7 -45.0 0.5 8.2 43.8 25 35 A I H X S+ 0 0 1 -4,-2.7 4,-1.1 1,-0.2 3,-0.3 0.938 110.7 51.6 -59.7 -47.7 -2.5 6.4 45.2 26 36 A A H < S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.864 116.8 38.4 -59.6 -39.9 -0.4 3.4 46.4 27 37 A R H < S+ 0 0 70 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.686 113.3 55.7 -86.9 -17.4 2.2 5.6 48.2 28 38 A S H < S+ 0 0 73 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.585 104.1 51.7 -94.2 -13.9 -0.3 8.2 49.6 29 39 A Y S < S- 0 0 87 -4,-1.1 5,-0.0 -3,-0.2 -1,-0.0 -0.950 85.9-106.1-127.2 147.6 -2.7 5.8 51.5 30 40 A P >> - 0 0 53 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.296 35.9-107.9 -67.7 156.0 -2.1 3.0 54.1 31 41 A P H 3> S+ 0 0 70 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.809 116.7 57.4 -49.9 -42.7 -2.5 -0.7 53.1 32 42 A N H 3> S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.887 109.1 46.9 -61.3 -35.1 -5.8 -1.2 55.0 33 43 A Q H <> S+ 0 0 97 -3,-0.7 4,-3.2 2,-0.2 -1,-0.2 0.882 109.4 52.2 -77.5 -38.0 -7.3 1.6 53.0 34 44 A L H X S+ 0 0 7 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.885 110.9 49.3 -57.5 -40.0 -6.0 0.3 49.7 35 45 A R H X S+ 0 0 81 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.935 112.8 46.5 -66.3 -44.8 -7.5 -3.0 50.5 36 46 A N H X S+ 0 0 88 -4,-2.2 4,-2.1 1,-0.2 3,-0.3 0.915 109.3 55.3 -63.3 -43.5 -10.8 -1.4 51.4 37 47 A M H X S+ 0 0 6 -4,-3.2 4,-3.1 1,-0.2 -1,-0.2 0.910 105.3 52.7 -54.1 -43.7 -10.7 0.7 48.2 38 48 A Q H X S+ 0 0 28 -4,-2.0 4,-2.0 2,-0.2 11,-0.3 0.839 105.7 53.4 -65.4 -35.2 -10.4 -2.5 46.1 39 49 A R H X S+ 0 0 151 -4,-1.4 4,-1.9 -3,-0.3 -1,-0.2 0.916 111.8 45.3 -63.2 -44.3 -13.4 -4.0 47.7 40 50 A T H X S+ 0 0 26 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.910 107.6 60.4 -62.7 -43.8 -15.4 -0.9 46.8 41 51 A F H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 6,-0.4 0.914 109.9 40.0 -48.4 -49.1 -13.8 -1.1 43.3 42 52 A Q H X S+ 0 0 72 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.846 113.2 55.3 -72.2 -34.2 -15.4 -4.5 42.7 43 53 A A H < S+ 0 0 85 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.893 118.0 35.4 -63.7 -39.7 -18.7 -3.5 44.4 44 54 A I H < S+ 0 0 97 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.955 128.4 30.3 -79.1 -53.6 -19.0 -0.5 42.0 45 55 A T H < S- 0 0 52 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.691 92.8-128.9 -86.8 -23.8 -17.5 -1.8 38.7 46 56 A G S < S+ 0 0 59 -4,-1.8 2,-0.4 -5,-0.4 -4,-0.2 0.351 80.1 91.4 86.5 -5.3 -18.4 -5.5 38.9 47 57 A T S S- 0 0 48 -6,-0.4 -2,-0.3 3,-0.0 -1,-0.2 -0.944 82.3-109.7-121.5 145.3 -14.8 -6.5 38.2 48 58 A F > - 0 0 128 -2,-0.4 4,-2.0 1,-0.1 3,-0.1 -0.431 26.9-124.5 -63.5 142.5 -11.8 -7.1 40.5 49 59 A L H > S+ 0 0 4 -11,-0.3 4,-3.2 1,-0.2 5,-0.2 0.897 110.0 59.5 -54.9 -42.2 -9.2 -4.4 40.4 50 60 A D H > S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.914 108.5 43.1 -55.6 -47.5 -6.5 -7.1 39.6 51 61 A A H > S+ 0 0 51 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.891 113.8 52.6 -65.4 -39.1 -8.4 -8.1 36.4 52 62 A F H X S+ 0 0 14 -4,-2.0 4,-1.3 2,-0.2 3,-0.3 0.920 108.3 49.1 -62.1 -49.2 -9.0 -4.4 35.5 53 63 A L H X S+ 0 0 1 -4,-3.2 4,-2.4 1,-0.2 3,-0.3 0.883 108.5 55.1 -57.4 -42.5 -5.3 -3.5 35.8 54 64 A K H < S+ 0 0 104 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.830 106.2 51.1 -60.1 -37.2 -4.4 -6.4 33.6 55 65 A K H < S+ 0 0 137 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.794 120.6 32.8 -72.5 -26.6 -6.7 -5.2 30.8 56 66 A H H < S+ 0 0 56 -4,-1.3 -2,-0.2 -3,-0.3 2,-0.2 0.693 111.5 58.7-105.1 -24.6 -5.3 -1.7 30.8 57 67 A L < - 0 0 12 -4,-2.4 2,-0.3 -5,-0.2 -44,-0.0 -0.578 60.6-159.9-106.7 168.5 -1.6 -2.0 31.7 58 68 A S >> - 0 0 75 -2,-0.2 4,-2.0 0, 0.0 3,-0.6 -0.960 40.5 -16.4-143.0 162.4 1.3 -3.8 30.1 59 69 A K H 3> S- 0 0 175 -2,-0.3 4,-2.0 1,-0.2 3,-0.2 0.060 116.0 -7.1 53.9-140.3 4.8 -5.2 30.7 60 70 A D H 3> S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.840 133.5 54.1 -59.4 -39.2 6.9 -4.1 33.7 61 71 A F H <> S+ 0 0 11 -3,-0.6 4,-2.9 1,-0.2 -1,-0.2 0.919 109.3 49.8 -64.2 -44.2 4.5 -1.3 34.9 62 72 A E H X S+ 0 0 42 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.948 110.5 48.9 -53.1 -52.0 1.7 -3.9 35.0 63 73 A S H X S+ 0 0 46 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.918 115.0 45.9 -58.2 -46.1 3.7 -6.4 37.0 64 74 A L H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.937 112.7 48.0 -60.7 -54.0 4.7 -3.6 39.5 65 75 A V H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 3,-0.3 0.904 107.4 56.0 -59.6 -40.9 1.2 -2.1 39.9 66 76 A L H < S+ 0 0 23 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.896 107.9 50.5 -58.2 -37.9 -0.3 -5.6 40.5 67 77 A M H >< S+ 0 0 31 -4,-1.4 3,-0.7 -5,-0.2 -1,-0.2 0.822 106.9 53.4 -67.8 -33.8 2.1 -6.1 43.4 68 78 A L H 3< S+ 0 0 11 -4,-1.4 2,-0.2 -3,-0.3 -1,-0.2 0.797 102.5 57.3 -75.4 -29.8 1.3 -2.8 45.0 69 79 A Y T 3< S+ 0 0 9 -4,-1.6 -1,-0.3 -3,-0.1 -19,-0.1 -0.314 93.0 86.1 -98.7 44.2 -2.4 -3.4 45.2 70 80 A K S < S- 0 0 44 -3,-0.7 2,-0.1 -2,-0.2 -35,-0.1 -0.973 92.9 -97.7-129.0 147.8 -2.1 -6.6 47.2 71 81 A P > - 0 0 38 0, 0.0 4,-2.2 0, 0.0 3,-0.4 -0.516 40.6-123.6 -59.8 138.0 -1.8 -7.0 50.9 72 82 A R H > S+ 0 0 78 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.860 108.3 54.2 -57.3 -38.0 1.9 -7.3 51.5 73 83 A A H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.910 109.3 48.8 -67.4 -37.5 1.7 -10.7 53.3 74 84 A Q H > S+ 0 0 53 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.908 109.6 53.1 -64.4 -43.4 -0.3 -12.2 50.4 75 85 A L H X S+ 0 0 5 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.930 107.0 51.7 -53.8 -50.7 2.3 -10.8 48.0 76 86 A L H X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.921 112.2 46.7 -55.2 -43.3 5.1 -12.5 50.1 77 87 A C H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.923 111.0 50.1 -64.8 -44.0 3.2 -15.8 49.9 78 88 A E H X S+ 0 0 61 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.892 110.4 51.4 -62.3 -39.8 2.5 -15.5 46.1 79 89 A L H X S+ 0 0 24 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.897 112.1 45.7 -62.6 -42.6 6.2 -14.8 45.5 80 90 A I H X S+ 0 0 0 -4,-1.9 4,-0.6 2,-0.2 5,-0.2 0.915 115.5 46.9 -67.4 -47.9 7.3 -17.9 47.5 81 91 A R H >X S+ 0 0 66 -4,-3.1 4,-2.5 1,-0.2 3,-1.2 0.924 112.3 50.1 -52.7 -51.4 4.7 -20.1 45.8 82 92 A G H 3< S+ 0 0 64 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.806 110.0 52.2 -59.9 -32.2 5.7 -18.7 42.4 83 93 A A H 3< S+ 0 0 4 -4,-1.5 7,-2.6 -5,-0.2 -1,-0.3 0.598 123.3 23.1 -81.7 -11.0 9.3 -19.4 43.2 84 94 A T H << S+ 0 0 4 -3,-1.2 -2,-0.2 -4,-0.6 -3,-0.2 0.739 86.3 102.9-127.1 -44.4 8.8 -23.1 44.1 85 95 A K S < S- 0 0 135 -4,-2.5 2,-0.0 -5,-0.2 39,-0.0 -0.240 87.5 -12.4 -54.4 127.3 5.7 -24.7 42.6 86 96 A G S S+ 0 0 52 3,-0.0 0, 0.0 -3,-0.0 0, 0.0 -0.220 113.6 14.0 80.4-167.8 6.6 -27.0 39.7 87 97 A A S S- 0 0 112 2,-0.0 -2,-0.0 -2,-0.0 0, 0.0 -0.103 111.3 -23.4 -47.9 124.8 9.7 -27.4 37.7 88 98 A G S S- 0 0 53 1,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.126 76.3 -87.6 72.4-165.4 12.8 -25.9 39.2 89 99 A T - 0 0 45 40,-0.0 2,-1.1 4,-0.0 -5,-0.2 -0.995 8.4-138.6-148.2 135.7 13.3 -23.0 41.7 90 100 A D > + 0 0 65 -7,-2.6 4,-1.7 -2,-0.3 -7,-0.1 -0.784 33.1 174.7 -91.4 88.1 13.6 -19.2 41.6 91 101 A E H > S+ 0 0 79 -2,-1.1 4,-2.5 1,-0.2 5,-0.2 0.866 72.2 56.2 -66.3 -39.5 16.3 -19.2 44.3 92 102 A K H > S+ 0 0 104 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.920 107.0 50.4 -58.2 -45.9 17.0 -15.4 44.0 93 103 A C H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.920 110.0 49.3 -58.5 -47.4 13.3 -14.7 44.7 94 104 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 5,-0.3 0.906 113.0 46.9 -60.0 -46.4 13.3 -17.0 47.8 95 105 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.926 112.3 50.5 -60.8 -47.0 16.5 -15.3 49.2 96 106 A D H < S+ 0 0 0 -4,-2.7 4,-0.3 -5,-0.2 -2,-0.2 0.896 118.3 37.5 -58.3 -44.8 15.2 -11.8 48.5 97 107 A V H >< S+ 0 0 0 -4,-2.3 3,-1.1 -5,-0.2 -2,-0.2 0.965 118.3 44.9 -72.3 -55.9 11.8 -12.5 50.3 98 108 A L H >< S+ 0 0 1 -4,-2.5 3,-0.7 1,-0.3 -3,-0.2 0.826 112.5 48.6 -64.6 -36.9 12.9 -14.6 53.2 99 109 A L T 3< S+ 0 0 2 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.1 0.512 109.1 52.8 -85.0 -3.6 15.9 -12.7 54.4 100 110 A T T < S+ 0 0 2 -3,-1.1 2,-0.4 -4,-0.3 -1,-0.2 0.120 86.4 92.8-122.6 26.0 14.3 -9.3 54.4 101 111 A I S < S- 0 0 6 -3,-0.7 5,-0.0 -4,-0.1 2,-0.0 -0.882 76.9-110.6-118.1 146.8 11.2 -9.8 56.5 102 112 A E > - 0 0 59 -2,-0.4 4,-1.7 1,-0.1 3,-0.3 -0.328 34.1-106.8 -72.5 156.1 10.9 -9.2 60.2 103 113 A T H > S+ 0 0 30 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.893 121.7 50.3 -52.6 -44.3 10.5 -12.3 62.5 104 114 A H H > S+ 0 0 113 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.858 107.3 54.5 -61.1 -36.0 6.8 -11.5 63.1 105 115 A E H > S+ 0 0 38 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.836 105.5 53.4 -68.0 -30.8 6.2 -11.2 59.4 106 116 A V H X S+ 0 0 3 -4,-1.7 4,-2.2 -3,-0.2 -2,-0.2 0.934 109.0 48.5 -67.7 -43.6 7.7 -14.7 58.9 107 117 A R H X S+ 0 0 92 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.922 110.3 52.7 -63.0 -42.6 5.2 -16.1 61.5 108 118 A E H X S+ 0 0 102 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.909 112.1 43.8 -58.2 -45.5 2.4 -14.3 59.7 109 119 A I H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 -1,-0.2 0.798 105.0 61.3 -79.5 -25.3 3.2 -15.7 56.3 110 120 A R H X S+ 0 0 67 -4,-2.2 4,-1.3 2,-0.2 11,-0.3 0.950 112.6 41.0 -55.7 -48.0 3.8 -19.3 57.7 111 121 A Q H X S+ 0 0 135 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.941 118.1 44.8 -64.5 -53.1 0.2 -19.2 58.8 112 122 A L H X S+ 0 0 52 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.908 107.1 59.8 -58.6 -43.1 -1.1 -17.4 55.6 113 123 A Y H X S+ 0 0 1 -4,-3.2 4,-2.4 1,-0.2 6,-0.5 0.888 105.3 49.0 -56.2 -41.5 0.9 -19.7 53.3 114 124 A Y H X S+ 0 0 123 -4,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.896 110.3 50.9 -67.2 -41.3 -0.9 -22.8 54.7 115 125 A Q H < S+ 0 0 144 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.914 115.3 42.8 -61.2 -42.0 -4.3 -21.2 54.2 116 126 A L H < S+ 0 0 77 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.897 134.9 12.2 -71.4 -37.7 -3.6 -20.2 50.7 117 127 A Y H < S- 0 0 54 -4,-2.4 -3,-0.2 2,-0.2 -2,-0.2 0.465 85.7-123.8-127.5 -4.1 -2.0 -23.4 49.6 118 128 A N S < S+ 0 0 116 -4,-2.7 2,-0.3 -5,-0.3 -4,-0.2 0.708 78.5 114.4 60.0 23.4 -2.5 -26.2 52.2 119 129 A D S S- 0 0 56 -6,-0.5 2,-0.5 -5,-0.0 -1,-0.2 -0.834 73.7-113.5-119.7 154.7 1.3 -26.5 52.2 120 130 A S > - 0 0 51 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 -0.797 19.1-144.3 -87.7 128.8 3.9 -25.8 55.0 121 131 A L H > S+ 0 0 3 -2,-0.5 4,-2.5 -11,-0.3 5,-0.2 0.953 101.4 48.6 -57.0 -50.3 6.1 -22.8 54.0 122 132 A G H > S+ 0 0 8 21,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.882 113.1 47.3 -54.4 -45.8 9.2 -24.4 55.6 123 133 A D H > S+ 0 0 111 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.925 110.7 51.5 -66.2 -45.1 8.5 -27.8 53.9 124 134 A V H X S+ 0 0 23 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.911 112.9 45.2 -57.6 -43.9 8.0 -26.2 50.5 125 135 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.933 115.7 45.5 -69.9 -47.2 11.3 -24.2 50.8 126 136 A R H X S+ 0 0 132 -4,-2.4 4,-2.9 -5,-0.2 -2,-0.2 0.934 111.4 53.0 -61.6 -44.5 13.3 -27.2 52.1 127 137 A K H < S+ 0 0 182 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.917 117.6 37.7 -54.7 -45.6 11.8 -29.5 49.4 128 138 A D H < S+ 0 0 46 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.858 129.2 28.1 -76.2 -36.8 12.8 -27.1 46.6 129 139 A C H < S- 0 0 12 -4,-2.7 3,-0.3 1,-0.2 4,-0.3 0.647 90.5-146.8-103.4 -22.3 16.1 -25.9 47.9 130 140 A G < - 0 0 31 -4,-2.9 -1,-0.2 -5,-0.3 10,-0.1 -0.223 26.6 -97.2 74.9-171.7 17.5 -28.7 50.0 131 141 A D S S+ 0 0 51 -4,-0.1 -1,-0.2 9,-0.0 -5,-0.0 -0.023 97.9 87.5-137.1 34.2 19.7 -28.0 53.0 132 142 A K S S+ 0 0 148 -3,-0.3 -2,-0.1 5,-0.0 -3,-0.0 0.887 70.8 68.7 -97.5 -59.5 23.2 -28.5 51.5 133 143 A Y S > S- 0 0 113 -4,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.277 84.2-123.3 -65.0 149.4 24.2 -25.0 50.1 134 144 A M H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.887 112.3 53.0 -66.3 -38.4 24.9 -22.3 52.6 135 145 A W H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.880 112.1 49.1 -59.4 -36.3 22.2 -19.9 51.1 136 146 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.939 109.9 48.4 -69.2 -49.5 19.8 -22.9 51.4 137 147 A K H X S+ 0 0 56 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.879 112.6 52.0 -52.9 -41.0 20.7 -23.6 55.0 138 148 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.961 112.1 41.6 -66.2 -50.8 20.3 -19.9 55.8 139 149 A I H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.867 113.7 54.4 -69.8 -31.5 16.8 -19.4 54.3 140 150 A N H X S+ 0 0 5 -4,-2.6 4,-1.9 2,-0.2 5,-0.3 0.930 108.4 48.8 -62.3 -45.5 15.7 -22.7 55.8 141 151 A A H X S+ 0 0 23 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.864 115.5 44.1 -63.4 -36.4 16.8 -21.6 59.3 142 152 A V H < S+ 0 0 12 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.893 111.2 54.5 -74.1 -41.6 15.0 -18.3 58.8 143 153 A A H < S+ 0 0 0 -4,-3.1 -21,-0.2 1,-0.2 -2,-0.2 0.819 124.9 22.5 -59.6 -33.8 11.8 -20.0 57.3 144 154 A T H < S+ 0 0 94 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.590 115.7 71.0-110.7 -13.2 11.4 -22.3 60.3 145 155 A G < - 0 0 26 -4,-1.4 2,-0.3 -5,-0.3 -3,-0.1 0.026 65.2-125.0 -99.8-164.5 13.2 -20.5 63.1 146 156 A D - 0 0 66 -40,-0.0 2,-0.7 2,-0.0 -2,-0.1 -0.966 18.0-125.1-139.9 151.3 13.0 -17.5 65.4 147 157 A R - 0 0 30 -2,-0.3 39,-0.2 -5,-0.1 38,-0.1 -0.928 38.7-176.3-101.2 116.0 15.3 -14.6 66.1 148 158 A I - 0 0 86 37,-1.2 39,-0.4 -2,-0.7 -2,-0.0 -0.872 27.3-110.8-119.1 137.2 15.7 -14.7 69.9 149 159 A P - 0 0 97 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.285 38.5-168.9 -60.4 150.7 17.7 -12.2 72.2 150 160 A R - 0 0 39 37,-0.0 2,-0.0 2,-0.0 37,-0.0 -0.942 23.7 -88.3-139.7 165.4 20.8 -13.6 73.8 151 161 A D >> - 0 0 113 -2,-0.3 4,-1.3 1,-0.1 3,-0.8 -0.304 34.4-114.5 -71.0 156.4 23.3 -12.6 76.5 152 162 A T H 3> S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.870 115.6 63.6 -56.3 -37.3 26.5 -10.5 75.9 153 163 A H H 3> S+ 0 0 113 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.885 100.8 51.6 -53.6 -40.2 28.6 -13.6 76.9 154 164 A E H <> S+ 0 0 83 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.889 107.8 51.9 -67.0 -36.7 27.1 -15.4 73.8 155 165 A L H X S+ 0 0 0 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.931 108.6 50.3 -66.6 -40.6 28.1 -12.5 71.6 156 166 A E H X S+ 0 0 100 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.882 112.1 47.9 -63.6 -39.3 31.7 -12.5 72.9 157 167 A E H X S+ 0 0 91 -4,-2.0 4,-1.9 -5,-0.2 3,-0.3 0.928 112.6 48.9 -62.0 -47.8 31.9 -16.3 72.2 158 168 A D H X S+ 0 0 7 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.815 102.7 61.7 -68.8 -31.1 30.4 -15.8 68.7 159 169 A L H X S+ 0 0 11 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.919 107.6 43.4 -56.0 -47.3 32.8 -13.0 67.9 160 170 A V H X S+ 0 0 85 -4,-1.2 4,-2.1 -3,-0.3 -2,-0.2 0.899 115.2 50.4 -68.7 -38.8 35.8 -15.3 68.3 161 171 A L H X S+ 0 0 73 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.892 111.5 46.1 -68.5 -41.6 34.1 -18.1 66.4 162 172 A V H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.885 110.7 52.9 -71.2 -36.2 33.1 -15.9 63.4 163 173 A R H X S+ 0 0 43 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.937 110.0 49.3 -58.9 -45.7 36.6 -14.4 63.3 164 174 A K H X S+ 0 0 73 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.940 110.9 49.8 -56.6 -51.0 37.9 -18.0 63.1 165 175 A A H < S+ 0 0 0 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.876 111.1 49.2 -51.6 -42.9 35.5 -18.8 60.4 166 176 A I H < S+ 0 0 17 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.866 108.0 55.3 -69.8 -35.5 36.5 -15.7 58.4 167 177 A E H < S+ 0 0 129 -4,-2.2 2,-0.3 -5,-0.2 -1,-0.2 0.776 95.8 74.7 -73.1 -24.7 40.2 -16.6 58.8 168 178 A T S < S- 0 0 37 -4,-1.4 2,-0.3 -3,-0.3 4,-0.1 -0.692 88.0-115.9 -92.4 139.2 39.9 -20.1 57.3 169 179 A K S S+ 0 0 191 -2,-0.3 45,-0.1 2,-0.1 -2,-0.1 -0.562 82.9 6.6 -74.4 133.2 39.5 -20.5 53.5 170 180 A G S S- 0 0 35 -2,-0.3 2,-0.8 43,-0.2 45,-0.1 0.188 102.9 -66.8 77.5 157.9 36.2 -22.0 52.7 171 181 A V - 0 0 48 43,-0.2 2,-0.2 2,-0.0 -2,-0.1 -0.760 57.6-151.3 -78.6 115.4 33.3 -22.8 55.0 172 182 A K >> - 0 0 95 -2,-0.8 3,-1.4 -7,-0.1 4,-1.0 -0.510 25.8-105.4 -82.4 158.5 34.6 -25.6 57.3 173 183 A K G >4 S+ 0 0 191 1,-0.3 3,-0.6 2,-0.2 4,-0.4 0.853 121.4 45.5 -48.4 -45.7 32.4 -28.2 58.9 174 184 A D G 34 S+ 0 0 93 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.570 107.7 60.8 -79.9 -10.0 32.5 -26.6 62.4 175 185 A E G <> S+ 0 0 2 -3,-1.4 4,-2.1 2,-0.1 5,-0.2 0.659 83.2 79.0 -89.7 -21.1 32.0 -23.2 60.9 176 186 A V H S+ 0 0 65 -4,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.851 109.1 55.1 -56.4 -38.2 26.8 -23.6 62.7 178 188 A T H > S+ 0 0 6 -4,-0.4 4,-2.3 2,-0.2 5,-0.3 0.958 110.1 43.5 -62.9 -52.6 28.5 -20.3 63.4 179 189 A W H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 5,-0.3 0.901 118.5 45.1 -60.4 -44.3 27.4 -18.6 60.1 180 190 A I H X>S+ 0 0 26 -4,-2.3 4,-2.8 -5,-0.2 5,-0.6 0.941 111.4 51.2 -68.7 -46.5 23.9 -19.9 60.5 181 191 A R H X5S+ 0 0 70 -4,-3.0 4,-1.4 -5,-0.2 5,-0.4 0.933 117.4 39.1 -53.9 -47.7 23.4 -19.1 64.2 182 192 A I H X5S+ 0 0 0 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.967 124.6 35.5 -72.0 -50.7 24.5 -15.5 63.7 183 193 A F H <5S+ 0 0 0 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.798 127.2 34.9 -79.7 -27.4 22.9 -14.7 60.4 184 194 A A H <5S+ 0 0 2 -4,-2.8 -3,-0.2 -5,-0.3 -1,-0.2 0.729 129.2 27.1 -93.3 -28.4 19.6 -16.7 60.8 185 195 A T H < - 0 0 25 -39,-0.4 4,-2.7 -2,-0.1 5,-0.2 -0.420 29.6-104.8 -74.0 164.7 18.0 -10.2 66.6 188 198 A R H > S+ 0 0 42 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.926 121.5 50.7 -56.5 -44.9 18.7 -6.9 64.9 189 199 A A H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.933 113.0 44.4 -61.6 -45.6 20.0 -5.4 68.2 190 200 A D H > S+ 0 0 18 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.911 113.5 50.8 -67.4 -40.0 22.4 -8.3 68.9 191 201 A F H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.944 110.1 49.8 -62.0 -48.1 23.6 -8.4 65.3 192 202 A R H X S+ 0 0 107 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.905 111.1 50.2 -56.0 -40.5 24.3 -4.6 65.4 193 203 A Q H X S+ 0 0 84 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.936 111.5 47.0 -63.2 -46.8 26.2 -5.1 68.7 194 204 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.888 108.2 57.0 -61.7 -36.7 28.3 -7.9 67.2 195 205 A H H X S+ 0 0 46 -4,-2.4 4,-1.6 1,-0.2 12,-0.2 0.914 112.4 41.4 -60.0 -43.8 29.0 -5.8 64.1 196 206 A K H X S+ 0 0 149 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.882 112.8 52.9 -72.9 -43.1 30.4 -3.1 66.4 197 207 A M H X S+ 0 0 35 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.908 108.1 53.4 -61.0 -40.4 32.3 -5.5 68.6 198 208 A Y H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 7,-0.3 0.937 110.1 43.1 -61.7 -51.3 34.0 -7.1 65.6 199 209 A S H <>S+ 0 0 42 -4,-1.6 5,-3.0 1,-0.2 6,-0.3 0.862 115.6 51.3 -66.6 -32.9 35.3 -3.8 64.0 200 210 A A H ><5S+ 0 0 82 -4,-2.1 3,-0.5 3,-0.2 -1,-0.2 0.903 116.5 38.7 -67.4 -44.7 36.5 -2.7 67.5 201 211 A K H 3<5S+ 0 0 118 -4,-2.5 -2,-0.2 1,-0.2 2,-0.2 0.858 116.5 50.1 -72.8 -38.5 38.3 -5.9 68.3 202 212 A Y T ><5S- 0 0 29 -4,-2.6 3,-2.1 3,-0.2 -1,-0.2 -0.240 116.9 -95.4-106.1 44.0 39.8 -6.6 64.8 203 213 A N T < 5S- 0 0 155 -3,-0.5 -3,-0.2 1,-0.3 -4,-0.1 0.826 87.1 -48.1 55.6 37.7 41.4 -3.2 63.9 204 214 A G T 3 - 0 0 47 1,-0.1 4,-1.7 -7,-0.1 5,-0.1 -0.853 15.7-134.5-116.7 154.1 34.2 -5.7 59.0 207 217 A L H > S+ 0 0 1 -2,-0.3 4,-2.5 -12,-0.2 5,-0.2 0.884 110.9 57.4 -62.0 -39.8 31.8 -8.7 59.3 208 218 A R H > S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.910 105.3 48.4 -62.9 -41.5 30.6 -7.7 55.8 209 219 A A H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.859 109.1 54.8 -62.0 -35.4 34.2 -8.1 54.4 210 220 A G H X S+ 0 0 1 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.917 107.6 49.5 -62.9 -43.3 34.4 -11.5 56.2 211 221 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.928 109.9 50.9 -61.0 -46.1 31.2 -12.5 54.4 212 222 A E H < S+ 0 0 86 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.926 113.2 45.9 -54.7 -49.1 32.8 -11.4 51.1 213 223 A D H < S+ 0 0 117 -4,-2.4 -43,-0.2 1,-0.2 -2,-0.2 0.890 117.3 43.2 -56.2 -45.9 36.0 -13.4 51.8 214 224 A E H < S+ 0 0 16 -4,-2.4 2,-0.2 -5,-0.1 -43,-0.2 0.872 111.7 45.2 -79.0 -40.2 34.1 -16.6 52.9 215 225 A F < - 0 0 3 -4,-2.5 2,-0.3 -5,-0.2 -45,-0.0 -0.627 56.2-164.9-113.0 159.1 31.3 -17.0 50.3 216 226 A Q >> - 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0 0 41 -2,-0.0 2,-1.1 38,-0.0 -5,-0.2 -0.981 18.9-101.3-166.4 168.8 18.3 -5.3 34.5 251 261 A D > + 0 0 45 -7,-2.4 4,-2.6 -2,-0.3 5,-0.2 -0.776 33.1 178.2-102.6 91.3 16.1 -7.6 36.4 252 262 A S H > S+ 0 0 17 -2,-1.1 4,-2.9 1,-0.2 -1,-0.2 0.850 80.1 59.2 -64.0 -34.3 12.7 -6.0 36.4 253 263 A N H > S+ 0 0 99 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.904 110.8 42.1 -59.4 -42.4 11.2 -9.0 38.4 254 264 A R H > S+ 0 0 8 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.913 112.6 52.5 -72.5 -44.7 13.7 -8.3 41.2 255 265 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.935 110.8 50.1 -54.3 -45.2 13.2 -4.5 41.0 256 266 A N H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.926 112.7 42.9 -63.0 -47.7 9.5 -5.0 41.3 257 267 A R H X S+ 0 0 9 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.918 115.7 48.7 -69.4 -39.5 9.5 -7.3 44.3 258 268 A I H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 5,-0.3 0.941 115.8 44.4 -62.8 -41.6 12.1 -5.3 46.2 259 269 A T H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.3 5,-0.3 0.952 116.9 43.8 -70.8 -46.3 10.2 -2.0 45.5 260 270 A A H < S+ 0 0 12 -4,-2.9 4,-0.3 -5,-0.2 -1,-0.2 0.899 118.3 45.8 -67.0 -38.3 6.7 -3.4 46.4 261 271 A M H < S+ 0 0 4 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.830 129.7 18.2 -69.7 -34.2 8.1 -5.2 49.5 262 272 A H H X S+ 0 0 9 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.561 90.8 91.9-122.6 -10.7 10.1 -2.3 50.8 263 273 A F T < S+ 0 0 19 -4,-2.8 -3,-0.1 -5,-0.3 6,-0.1 0.876 88.1 55.4 -57.8 -33.2 9.3 1.1 49.5 264 274 A R T 4 S+ 0 0 55 -4,-0.3 -1,-0.2 -5,-0.3 3,-0.2 0.940 122.4 21.3 -72.8 -41.7 6.8 1.9 52.2 265 275 A E T 4 S+ 0 0 148 -4,-0.2 2,-1.5 1,-0.2 3,-0.2 0.784 109.0 72.5 -94.5 -31.1 9.0 1.4 55.2 266 276 A C >< + 0 0 3 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 -0.397 51.0 154.0 -91.6 62.0 12.6 1.7 53.8 267 277 A K T 3 + 0 0 115 -2,-1.5 3,-0.5 1,-0.3 4,-0.3 0.712 66.3 62.6 -63.1 -26.2 12.6 5.5 53.3 268 278 A G T 3> S+ 0 0 24 -3,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.391 70.8 104.2 -82.2 5.3 16.4 5.7 53.6 269 279 A C H <> S+ 0 0 0 -3,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.916 80.2 47.3 -52.8 -48.7 17.0 3.5 50.5 270 280 A K H > S+ 0 0 27 -3,-0.5 4,-2.3 31,-0.4 11,-0.3 0.929 111.3 52.2 -64.6 -39.3 18.0 6.4 48.3 271 281 A Y H > S+ 0 0 141 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.957 114.1 42.4 -57.2 -51.7 20.3 7.9 50.9 272 282 A Y H X S+ 0 0 36 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.884 109.0 59.3 -65.1 -36.2 22.1 4.5 51.3 273 283 A Y H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.3 6,-0.4 0.958 111.1 40.4 -57.0 -51.4 22.2 3.9 47.6 274 284 A K H X S+ 0 0 117 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.897 115.0 52.5 -64.2 -38.3 24.2 7.1 47.1 275 285 A K H < S+ 0 0 141 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.914 120.5 31.5 -65.3 -42.3 26.4 6.6 50.1 276 286 A V H < S+ 0 0 86 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.884 130.4 31.1 -84.7 -42.8 27.4 3.0 49.1 277 287 A Y H < S- 0 0 69 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.2 0.449 94.8-131.5-105.3 -1.8 27.4 3.1 45.3 278 288 A G S < S+ 0 0 60 -4,-1.6 2,-0.4 -5,-0.3 -4,-0.2 0.542 75.6 92.2 66.3 10.6 28.4 6.8 44.8 279 289 A Q S S- 0 0 67 -6,-0.4 -2,-0.2 4,-0.0 -1,-0.1 -0.989 84.7-103.9-131.7 140.5 25.7 7.6 42.3 280 290 A A > - 0 0 26 -2,-0.4 4,-2.1 1,-0.1 3,-0.5 -0.405 28.5-126.4 -60.4 141.2 22.3 9.0 43.0 281 291 A F H > S+ 0 0 4 -11,-0.3 4,-2.8 1,-0.2 5,-0.2 0.907 110.1 53.4 -54.4 -47.7 19.6 6.3 42.8 282 292 A D H > S+ 0 0 60 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.810 106.7 53.3 -63.1 -29.4 17.5 8.4 40.3 283 293 A E H > S+ 0 0 120 -3,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.903 109.5 46.6 -73.5 -40.8 20.6 8.8 38.1 284 294 A R H >X S+ 0 0 47 -4,-2.1 4,-1.2 1,-0.2 3,-0.6 0.935 111.9 52.8 -63.2 -41.1 21.1 5.1 37.9 285 295 A C H >X S+ 0 0 1 -4,-2.8 4,-3.7 1,-0.2 3,-0.6 0.902 102.6 59.1 -56.6 -45.1 17.4 4.7 37.2 286 296 A A H 3< S+ 0 0 63 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.820 112.2 38.5 -54.7 -36.4 17.7 7.2 34.4 287 297 A T H << S+ 0 0 100 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.634 123.8 40.1 -93.5 -11.0 20.2 5.0 32.6 288 298 A E H << S+ 0 0 31 -4,-1.2 2,-0.3 -3,-0.6 -2,-0.2 0.811 113.6 41.4-101.4 -44.2 18.6 1.7 33.4 289 299 A L < - 0 0 15 -4,-3.7 2,-0.3 -5,-0.2 -1,-0.1 -0.785 63.2-155.6-117.8 156.9 14.8 2.3 33.1 290 300 A K >> - 0 0 155 -2,-0.3 4,-1.5 -3,-0.1 3,-0.6 -0.907 44.0 -15.6-131.7 156.1 12.6 4.1 30.7 291 301 A G H 3> S- 0 0 49 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 -0.170 115.0 -15.3 64.8-144.2 9.2 5.7 30.5 292 302 A V H 3> S+ 0 0 55 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.845 133.8 59.0 -67.9 -34.4 6.4 5.3 33.0 293 303 A Y H <> S+ 0 0 17 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.954 109.0 43.3 -60.6 -50.6 8.1 2.2 34.5 294 304 A G H X S+ 0 0 4 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.907 113.1 51.3 -59.2 -41.8 11.2 4.2 35.4 295 305 A D H X S+ 0 0 73 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.884 109.4 52.8 -61.9 -37.7 9.2 7.1 36.7 296 306 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.923 109.1 47.5 -63.1 -49.1 7.2 4.6 38.9 297 307 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.934 113.4 48.2 -62.4 -45.7 10.3 3.1 40.5 298 308 A K H X S+ 0 0 57 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.897 114.0 46.8 -58.6 -41.6 11.8 6.6 41.2 299 309 A L H >< S+ 0 0 35 -4,-2.1 3,-0.6 2,-0.2 -2,-0.2 0.891 108.5 53.2 -73.7 -41.0 8.5 7.8 42.7 300 310 A L H 3< S+ 0 0 3 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.891 112.5 46.3 -61.2 -38.7 7.9 4.8 44.9 301 311 A W H 3< S+ 0 0 3 -4,-1.8 -31,-0.4 -5,-0.2 -1,-0.2 0.607 87.8 100.8 -80.8 -10.6 11.4 5.1 46.4 302 312 A E << 0 0 88 -3,-0.6 -35,-0.0 -4,-0.6 -3,-0.0 -0.660 360.0 360.0 -75.1 121.9 11.0 8.9 47.0 303 313 A P 0 0 96 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.341 360.0 360.0 -61.9 360.0 10.2 9.2 50.7