==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 21-MAY-04 1TD6 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN MG237 HOMOLOG; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOPLASMA PNEUMONIAE; . AUTHOR D.DAS,N.OGANESYAN,H.YOKOTA,J.JANCARIK,R.KIM,S.H.KIM, . 286 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 71.3 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 . 9 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 16 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 44.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 0 0 0 0 1 1 2 1 0 0 1 0 3 0 0 0 0 1 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 . 1 0 0 0 0 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 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 5 A P 0 0 115 0, 0.0 64,-0.2 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 -40.9 83.7 54.1 67.2 2 6 A N - 0 0 37 62,-0.2 2,-0.3 63,-0.2 66,-0.1 -0.263 360.0-120.3 76.0-160.3 85.3 57.4 68.1 3 7 A Q - 0 0 37 1,-0.1 223,-0.1 226,-0.0 -1,-0.0 -0.967 9.2-132.4-176.4 160.3 86.5 58.5 71.6 4 8 A F S S+ 0 0 70 -2,-0.3 3,-0.4 1,-0.1 -1,-0.1 0.935 100.7 50.3 -88.6 -55.6 86.3 61.1 74.4 5 9 A V S > S+ 0 0 14 1,-0.2 3,-0.8 220,-0.2 -1,-0.1 0.390 77.9 107.6 -66.2 4.3 89.9 62.0 75.3 6 10 A N T 3 S+ 0 0 44 1,-0.3 -1,-0.2 2,-0.0 -2,-0.1 0.269 90.6 24.6 -71.5 18.7 90.6 62.7 71.6 7 11 A H T 3 + 0 0 31 -3,-0.4 2,-4.1 2,-0.1 -1,-0.3 -0.013 57.3 175.4-176.4 58.4 90.6 66.4 72.4 8 12 A L < + 0 0 53 -3,-0.8 2,-0.2 183,-0.1 185,-0.1 -0.227 61.0 101.1 -67.0 57.4 91.5 67.6 75.9 9 13 A S S S- 0 0 46 -2,-4.1 183,-2.5 1,-0.1 2,-0.2 -0.503 77.2 -54.7-126.6-164.6 91.3 71.2 74.5 10 14 A A B S-A 191 0A 65 181,-0.2 181,-0.3 -2,-0.2 -1,-0.1 -0.503 71.7 -69.6 -83.8 148.5 89.0 74.3 74.3 11 15 A L - 0 0 47 179,-1.8 -1,-0.2 -2,-0.2 3,-0.1 0.071 54.1-118.0 -36.5 125.8 85.4 74.3 72.9 12 16 A K - 0 0 15 1,-0.1 -1,-0.1 -3,-0.1 67,-0.0 -0.362 36.3 -91.0 -70.5 149.3 85.1 73.8 69.2 13 17 A K - 0 0 149 1,-0.1 2,-0.4 -2,-0.1 -1,-0.1 -0.235 45.9-114.2 -57.9 146.5 83.7 76.5 66.9 14 18 A H - 0 0 31 -3,-0.1 2,-0.5 2,-0.0 -1,-0.1 -0.745 28.6-171.5 -94.6 130.0 79.9 76.3 66.4 15 19 A F - 0 0 27 -2,-0.4 71,-0.0 1,-0.1 3,-0.0 -0.974 11.2-174.2-122.8 122.2 78.3 75.5 63.0 16 20 A A S S+ 0 0 30 -2,-0.5 2,-0.3 1,-0.0 -1,-0.1 0.526 70.4 26.1 -91.2 -8.2 74.5 75.7 62.4 17 21 A S S > S- 0 0 37 1,-0.1 4,-1.1 111,-0.0 5,-0.1 -0.966 76.2-113.4-149.1 165.3 74.4 74.4 58.8 18 22 A Y H > S+ 0 0 33 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.902 110.5 57.9 -68.1 -41.1 76.4 72.1 56.5 19 23 A K H > S+ 0 0 114 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.934 103.0 51.5 -55.1 -53.2 77.4 74.9 54.1 20 24 A E H > S+ 0 0 87 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.879 116.3 42.6 -51.6 -41.0 79.2 77.0 56.7 21 25 A L H X S+ 0 0 0 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.887 109.9 54.9 -74.0 -42.0 81.1 73.9 57.7 22 26 A R H X S+ 0 0 91 -4,-3.2 4,-1.7 2,-0.2 -2,-0.2 0.834 114.9 43.5 -60.1 -32.2 81.7 72.8 54.1 23 27 A E H X S+ 0 0 111 -4,-2.5 4,-2.8 -5,-0.2 5,-0.3 0.981 109.2 52.7 -74.0 -65.0 83.3 76.3 53.7 24 28 A A H X S+ 0 0 33 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.770 115.8 44.3 -40.6 -35.8 85.3 76.5 56.9 25 29 A F H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.932 109.2 51.8 -79.5 -50.5 86.9 73.2 55.9 26 30 A N H X S+ 0 0 60 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.875 111.8 50.5 -53.7 -38.5 87.5 73.8 52.2 27 31 A D H < S+ 0 0 97 -4,-2.8 -1,-0.2 1,-0.2 3,-0.2 0.919 104.0 55.7 -66.5 -43.4 89.3 77.0 53.3 28 32 A Y H >< S+ 0 0 60 -4,-1.2 3,-0.8 -5,-0.3 -1,-0.2 0.840 108.7 51.4 -56.6 -30.3 91.4 75.1 55.8 29 33 A H H >X S+ 0 0 53 -4,-1.7 3,-1.0 1,-0.2 4,-0.7 0.848 100.0 60.1 -74.6 -37.0 92.4 73.0 52.8 30 34 A K T 3< S+ 0 0 164 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.257 118.4 32.2 -75.8 13.8 93.4 76.0 50.7 31 35 A H T <4 S+ 0 0 149 -3,-0.8 -1,-0.2 -5,-0.1 -2,-0.2 0.216 132.4 30.2-149.0 6.1 95.9 76.8 53.4 32 36 A N T <4 S+ 0 0 69 -3,-1.0 2,-2.4 -5,-0.1 5,-0.3 -0.011 70.6 155.0-158.6 32.2 96.8 73.3 54.6 33 37 A G < + 0 0 50 -4,-0.7 -4,-0.1 4,-0.1 2,-0.1 -0.386 23.4 135.2 -71.5 71.8 96.4 71.2 51.5 34 38 A D S S- 0 0 77 -2,-2.4 4,-0.3 1,-0.0 -2,-0.1 0.023 73.0 -82.7 -95.1-152.4 98.7 68.3 52.3 35 39 A E S > S+ 0 0 170 2,-0.1 4,-2.7 3,-0.1 5,-0.1 0.920 125.5 45.3 -83.3 -46.8 97.9 64.7 51.8 36 40 A L H > S+ 0 0 73 2,-0.2 4,-3.0 1,-0.2 5,-0.4 0.968 111.8 50.1 -59.3 -57.5 96.0 64.1 55.0 37 41 A T H > S+ 0 0 6 -5,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.759 113.9 50.5 -54.4 -23.5 93.9 67.2 54.8 38 42 A T H > S+ 0 0 67 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.921 111.7 44.4 -79.6 -47.4 93.2 66.0 51.2 39 43 A F H X S+ 0 0 103 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.967 116.8 45.1 -61.5 -54.0 92.2 62.5 52.2 40 44 A F H X S+ 0 0 5 -4,-3.0 4,-3.0 1,-0.3 -1,-0.2 0.855 110.3 52.8 -60.5 -37.7 90.0 63.6 55.1 41 45 A L H X S+ 0 0 17 -4,-1.1 4,-1.6 -5,-0.4 -1,-0.3 0.870 110.2 52.7 -63.8 -32.1 88.3 66.4 53.1 42 46 A H H X S+ 0 0 90 -4,-1.6 4,-1.0 2,-0.2 -2,-0.3 0.907 110.0 44.5 -68.3 -42.3 87.7 63.5 50.7 43 47 A Q H X S+ 0 0 40 -4,-2.1 4,-1.7 1,-0.2 3,-0.4 0.883 107.9 60.5 -68.2 -37.5 86.1 61.4 53.4 44 48 A F H X S+ 0 0 1 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.883 103.9 50.0 -55.1 -42.2 84.1 64.4 54.6 45 49 A D H X S+ 0 0 69 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.791 101.3 61.2 -70.6 -28.5 82.5 64.6 51.2 46 50 A K H X S+ 0 0 109 -4,-1.0 4,-1.8 -3,-0.4 3,-0.3 0.963 105.7 49.0 -60.0 -50.4 81.5 61.0 51.2 47 51 A V H X S+ 0 0 1 -4,-1.7 4,-2.4 1,-0.3 -2,-0.2 0.912 107.8 53.1 -53.8 -49.2 79.4 61.6 54.3 48 52 A M H X S+ 0 0 9 -4,-1.6 4,-2.2 1,-0.2 -1,-0.3 0.841 103.8 57.7 -58.6 -33.6 77.8 64.7 52.7 49 53 A E H X S+ 0 0 104 -4,-1.8 4,-1.5 -3,-0.3 -1,-0.2 0.960 108.9 44.6 -61.3 -47.5 76.8 62.5 49.8 50 54 A L H <>S+ 0 0 37 -4,-1.8 5,-2.4 1,-0.2 -2,-0.2 0.877 109.6 56.9 -62.2 -38.0 75.0 60.2 52.2 51 55 A V H ><5S+ 0 0 11 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.887 105.1 51.4 -59.9 -39.9 73.5 63.3 53.9 52 56 A K H 3<5S+ 0 0 114 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.850 108.4 50.9 -67.0 -33.0 72.0 64.4 50.5 53 57 A Q T 3<5S- 0 0 133 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.261 112.9-121.3 -88.1 13.0 70.5 61.0 50.0 54 58 A K T < 5 + 0 0 140 -3,-1.3 2,-1.1 1,-0.2 3,-0.3 0.728 69.2 139.4 53.1 26.7 68.9 61.2 53.5 55 59 A D >< + 0 0 67 -5,-2.4 4,-2.1 1,-0.2 3,-0.4 -0.461 18.9 155.8 -93.3 57.8 70.8 58.0 54.6 56 60 A F H > + 0 0 14 -2,-1.1 4,-2.6 1,-0.2 -1,-0.2 0.846 60.6 60.2 -56.2 -42.7 71.5 59.7 57.9 57 61 A K H > S+ 0 0 110 -3,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.922 112.5 40.1 -53.4 -46.9 71.9 56.5 59.9 58 62 A T H > S+ 0 0 43 -3,-0.4 4,-2.3 2,-0.2 5,-0.3 0.873 109.8 59.1 -70.5 -38.6 74.8 55.5 57.7 59 63 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.901 105.3 52.0 -56.1 -39.9 76.1 59.1 57.5 60 64 A Q H X S+ 0 0 13 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.876 108.8 49.0 -65.3 -39.2 76.4 58.9 61.3 61 65 A S H X S+ 0 0 51 -4,-1.2 4,-0.9 2,-0.2 -2,-0.2 0.877 112.4 46.4 -70.1 -39.6 78.4 55.6 61.2 62 66 A R H X S+ 0 0 95 -4,-2.3 4,-1.7 2,-0.2 3,-0.2 0.881 113.6 50.2 -69.7 -36.8 80.9 56.8 58.6 63 67 A C H X S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.3 -2,-0.2 0.902 108.0 52.1 -67.8 -42.3 81.4 60.1 60.5 64 68 A E H < S+ 0 0 54 -4,-2.1 4,-0.4 1,-0.2 -62,-0.2 0.697 109.9 49.9 -69.8 -19.6 82.0 58.4 63.9 65 69 A E H X S+ 0 0 79 -4,-0.9 4,-1.6 -3,-0.2 3,-0.4 0.838 103.4 56.6 -87.5 -33.5 84.7 56.2 62.4 66 70 A E H < S+ 0 0 13 -4,-1.7 3,-0.4 1,-0.3 -2,-0.2 0.930 108.5 50.9 -59.1 -41.4 86.6 59.0 60.7 67 71 A L T < S+ 0 0 9 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.751 106.4 55.7 -65.2 -25.0 86.8 60.5 64.2 68 72 A A T 4 S+ 0 0 20 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.2 0.781 78.6 105.6 -80.2 -27.4 88.1 57.1 65.5 69 73 A A >< - 0 0 30 -4,-1.6 3,-1.9 -3,-0.4 -3,-0.0 -0.365 64.3-149.8 -57.2 118.5 91.0 57.0 63.1 70 74 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.518 93.9 68.0 -68.9 -3.2 94.1 57.8 65.2 71 75 A Y T 3 S+ 0 0 175 2,-0.1 -2,-0.1 -35,-0.0 -3,-0.0 0.470 71.8 114.1 -94.5 -3.9 95.6 59.3 62.1 72 76 A L S < S- 0 0 17 -3,-1.9 2,-0.1 -6,-0.2 5,-0.1 -0.539 72.1-118.7 -71.8 126.8 93.1 62.1 62.1 73 77 A P >> - 0 0 18 0, 0.0 3,-1.4 0, 0.0 4,-0.6 -0.404 20.1-115.2 -69.2 141.7 94.9 65.5 62.7 74 78 A K H >> S+ 0 0 147 1,-0.3 3,-1.6 2,-0.2 4,-0.6 0.849 112.6 49.7 -41.5 -54.8 93.9 67.5 65.7 75 79 A P H 34 S+ 0 0 50 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.749 107.2 55.2 -62.2 -25.3 92.5 70.5 63.8 76 80 A L H <> S+ 0 0 0 -3,-1.4 4,-1.2 1,-0.2 -2,-0.2 0.492 90.6 77.0 -86.2 -3.5 90.3 68.3 61.6 77 81 A V H S+ 0 0 21 -4,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.941 109.6 40.8 -66.6 -46.9 85.2 69.6 61.7 80 84 A F H X S+ 0 0 0 -4,-1.2 4,-2.9 2,-0.2 5,-0.2 0.894 110.1 56.8 -69.3 -40.6 83.8 66.1 61.9 81 85 A Q H X S+ 0 0 24 -4,-2.2 4,-1.6 1,-0.3 -1,-0.2 0.903 108.2 49.8 -58.6 -35.9 82.4 66.5 65.3 82 86 A S H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -1,-0.3 0.839 109.6 51.1 -68.4 -34.2 80.4 69.4 63.9 83 87 A L H X S+ 0 0 0 -4,-1.3 4,-3.0 2,-0.2 -2,-0.2 0.929 106.4 53.6 -67.3 -47.1 79.3 67.2 61.0 84 88 A L H X S+ 0 0 21 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.882 106.9 53.3 -55.9 -39.4 78.1 64.5 63.4 85 89 A Q H X S+ 0 0 22 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.939 110.2 45.5 -63.2 -46.8 76.0 67.1 65.2 86 90 A L H X S+ 0 0 6 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.952 115.0 49.4 -59.6 -49.9 74.2 68.2 62.0 87 91 A V H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.930 110.6 47.8 -54.3 -52.1 73.7 64.6 61.0 88 92 A N H X S+ 0 0 12 -4,-3.1 4,-3.0 2,-0.2 -1,-0.2 0.851 109.8 55.1 -60.1 -35.3 72.3 63.5 64.4 89 93 A H H X S+ 0 0 23 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.974 110.8 44.2 -61.7 -52.8 70.0 66.6 64.3 90 94 A D H X S+ 0 0 30 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.891 113.1 52.6 -60.8 -37.4 68.7 65.4 60.9 91 95 A L H X S+ 0 0 2 -4,-2.9 4,-1.4 -5,-0.2 -1,-0.2 0.955 110.3 46.2 -63.5 -47.7 68.4 61.9 62.2 92 96 A L H X S+ 0 0 6 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.897 111.3 52.7 -61.6 -39.9 66.3 62.9 65.2 93 97 A E H < S+ 0 0 59 -4,-2.4 7,-0.3 1,-0.2 -1,-0.2 0.892 108.6 49.4 -62.9 -42.0 64.1 65.1 63.1 94 98 A Q H < S+ 0 0 121 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.754 115.4 43.7 -70.7 -24.6 63.3 62.3 60.7 95 99 A Q H < S+ 0 0 104 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.701 127.6 30.3 -91.1 -21.8 62.5 59.9 63.5 96 100 A N >< + 0 0 59 -4,-1.9 3,-3.3 -5,-0.2 4,-0.3 -0.556 68.0 176.6-135.3 68.4 60.5 62.6 65.4 97 101 A A G > S+ 0 0 75 -3,-0.4 3,-2.4 1,-0.3 4,-0.4 0.788 74.5 75.6 -43.7 -35.0 59.0 64.9 62.8 98 102 A A G > S+ 0 0 70 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.788 85.4 67.0 -49.1 -28.4 57.2 66.7 65.6 99 103 A L G X S+ 0 0 1 -3,-3.3 3,-1.0 1,-0.2 -1,-0.3 0.764 78.7 80.3 -65.2 -28.7 60.6 68.3 66.3 100 104 A A G < S+ 0 0 59 -3,-2.4 2,-0.3 -4,-0.3 -1,-0.2 0.846 102.1 30.8 -50.1 -42.8 60.7 70.2 63.0 101 105 A S G < S+ 0 0 106 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 -0.463 93.7 111.1-120.2 64.2 58.5 73.1 64.2 102 106 A L < - 0 0 48 -3,-1.0 2,-0.1 -2,-0.3 -3,-0.0 -0.990 59.4-125.2-137.0 141.5 59.1 73.4 68.0 103 107 A P >> - 0 0 73 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.428 39.9-100.2 -78.2 161.9 60.7 76.0 70.1 104 108 A A H 3> S+ 0 0 6 28,-0.6 4,-2.6 1,-0.2 5,-0.2 0.862 120.2 57.4 -47.3 -45.8 63.5 75.0 72.5 105 109 A A H 3> S+ 0 0 26 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.901 109.7 43.6 -56.8 -43.7 61.2 74.9 75.5 106 110 A K H <> S+ 0 0 102 -3,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.847 111.2 54.8 -71.6 -32.9 58.9 72.4 73.9 107 111 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.913 104.4 54.6 -65.3 -41.3 61.8 70.3 72.6 108 112 A I H X S+ 0 0 2 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.878 102.4 58.6 -60.2 -36.1 63.1 70.1 76.2 109 113 A E H >X S+ 0 0 96 -4,-1.3 4,-1.1 1,-0.2 3,-0.8 0.945 105.6 47.4 -60.2 -47.6 59.8 68.7 77.3 110 114 A L H 3< S+ 0 0 45 -4,-1.6 3,-0.5 1,-0.2 4,-0.3 0.887 107.4 58.2 -60.2 -37.0 60.0 65.8 74.9 111 115 A V H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.786 108.6 45.9 -64.0 -26.8 63.6 65.2 76.1 112 116 A L H X< S+ 0 0 35 -4,-1.4 3,-1.1 -3,-0.8 -1,-0.2 0.667 87.9 95.9 -92.1 -17.6 62.4 64.7 79.7 113 117 A Q T 3< S+ 0 0 109 -4,-1.1 2,-3.7 -3,-0.5 -2,-0.1 0.878 93.1 24.5 -36.7 -98.0 59.4 62.4 79.1 114 118 A D T > S- 0 0 111 -4,-0.3 3,-1.8 1,-0.2 -1,-0.3 -0.183 104.6-144.7 -70.9 50.1 60.4 58.7 79.7 115 119 A Y T < S+ 0 0 50 -2,-3.7 -1,-0.2 -3,-1.1 4,-0.1 0.177 82.2 30.9 12.6 -82.6 63.1 60.4 81.8 116 120 A P T > S+ 0 0 47 0, 0.0 3,-1.1 0, 0.0 -1,-0.3 0.985 119.9 63.8 -57.9 -46.8 66.3 58.3 81.5 117 121 A N T < S+ 0 0 67 -3,-1.8 0, 0.0 1,-0.2 0, 0.0 -0.218 98.4 33.9 -67.8 160.9 65.2 57.4 77.9 118 122 A K T > S+ 0 0 52 1,-0.1 3,-0.8 -5,-0.1 -1,-0.2 0.462 78.0 116.9 71.8 -0.0 64.8 60.2 75.3 119 123 A L G X + 0 0 13 -3,-1.1 3,-1.6 1,-0.2 4,-0.1 0.772 66.0 68.6 -68.9 -22.8 67.8 62.1 76.8 120 124 A N G > S+ 0 0 21 1,-0.3 3,-2.5 2,-0.2 -1,-0.2 0.829 81.4 75.0 -61.9 -32.3 69.5 61.6 73.5 121 125 A M G X S+ 0 0 11 -3,-0.8 3,-1.8 1,-0.3 -1,-0.3 0.632 73.0 82.4 -55.9 -16.1 67.0 63.9 71.9 122 126 A I G X S+ 0 0 1 -3,-1.6 3,-1.6 1,-0.3 4,-0.3 0.744 75.0 74.9 -61.9 -19.7 68.9 66.8 73.5 123 127 A H G < S+ 0 0 38 -3,-2.5 3,-0.4 1,-0.3 -1,-0.3 0.575 77.0 74.9 -71.1 -8.8 71.3 66.5 70.5 124 128 A Y G < S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.694 91.6 55.5 -75.2 -20.3 68.7 68.1 68.3 125 129 A L S X S+ 0 0 2 -3,-1.6 3,-1.1 -4,-0.2 -1,-0.2 0.643 88.2 78.6 -87.6 -15.0 69.5 71.5 69.9 126 130 A L T 3 S+ 0 0 3 -3,-0.4 -2,-0.1 -4,-0.3 -1,-0.1 0.945 94.4 42.9 -62.5 -51.5 73.2 71.5 69.2 127 131 A P T 3 S+ 0 0 6 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.352 94.0 110.3 -79.1 10.3 73.2 72.5 65.5 128 132 A K S < S- 0 0 35 -3,-1.1 2,-0.2 1,-0.1 -3,-0.1 -0.069 82.8 -79.1 -71.3-180.0 70.5 75.2 66.2 129 133 A T > - 0 0 85 1,-0.1 3,-2.4 -113,-0.1 4,-0.4 -0.563 41.7-109.7 -82.6 151.3 71.3 78.9 66.0 130 134 A K T 3 S+ 0 0 129 1,-0.3 3,-0.2 -2,-0.2 -1,-0.1 0.627 119.1 48.4 -54.2 -15.5 73.1 80.5 68.9 131 135 A A T 3 S+ 0 0 69 1,-0.1 -1,-0.3 35,-0.1 3,-0.1 0.464 85.8 88.3-106.7 -0.5 69.9 82.4 69.7 132 136 A F S < S+ 0 0 64 -3,-2.4 -28,-0.6 1,-0.2 2,-0.6 0.748 86.5 52.0 -70.2 -24.3 67.5 79.4 69.5 133 137 A V S S- 0 0 4 -4,-0.4 -1,-0.2 -3,-0.2 5,-0.0 -0.884 77.3-148.0-121.3 104.9 68.0 78.4 73.2 134 138 A K > - 0 0 125 -2,-0.6 3,-0.8 1,-0.1 4,-0.2 -0.271 22.9-120.9 -62.3 152.8 67.5 81.1 75.9 135 139 A P G > S+ 0 0 59 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.756 104.1 70.1 -68.7 -26.4 69.7 80.7 79.0 136 140 A H G > S+ 0 0 109 1,-0.3 3,-1.2 2,-0.2 4,-0.2 0.782 85.0 70.4 -64.5 -25.2 66.8 80.4 81.5 137 141 A L G X S+ 0 0 5 -3,-0.8 3,-1.9 1,-0.3 4,-0.5 0.732 79.0 78.5 -63.7 -22.7 65.9 77.0 80.1 138 142 A L G X> S+ 0 0 3 -3,-1.4 3,-2.0 1,-0.3 4,-1.3 0.879 81.8 65.6 -54.6 -38.5 69.0 75.5 81.6 139 143 A Q G <4 S+ 0 0 119 -3,-1.2 4,-0.4 -4,-0.3 -1,-0.3 0.686 94.2 59.8 -57.8 -20.6 67.3 75.5 85.0 140 144 A R G <4 S+ 0 0 113 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.654 106.8 45.6 -83.2 -15.5 64.8 72.9 83.7 141 145 A L T X> S+ 0 0 1 -3,-2.0 3,-2.2 -4,-0.5 4,-0.8 0.674 86.3 93.3 -98.1 -22.7 67.6 70.4 82.9 142 146 A Q H >X S+ 0 0 37 -4,-1.3 4,-0.8 1,-0.3 3,-0.6 0.818 76.2 61.1 -35.8 -55.2 69.5 70.9 86.2 143 147 A F H >4 S+ 0 0 99 -4,-0.4 3,-0.5 1,-0.2 4,-0.3 0.769 97.6 60.4 -52.2 -29.7 67.8 68.0 88.0 144 148 A V H X4 S+ 0 0 0 -3,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.956 103.1 49.5 -63.5 -49.5 69.1 65.5 85.4 145 149 A L H << S+ 0 0 1 -4,-0.8 31,-2.9 -3,-0.6 -1,-0.2 0.601 115.4 44.5 -66.5 -11.2 72.7 66.4 86.2 146 150 A T T << S+ 0 0 52 -4,-0.8 2,-0.7 -3,-0.5 -1,-0.2 0.273 76.3 126.2-116.8 11.9 72.1 65.9 90.0 147 151 A D X - 0 0 41 -3,-1.4 3,-1.1 -4,-0.3 31,-0.2 -0.609 47.4-157.2 -73.5 112.2 70.1 62.7 90.0 148 152 A S T 3 S+ 0 0 61 -2,-0.7 -1,-0.2 1,-0.2 33,-0.1 0.726 90.0 52.6 -63.7 -21.2 71.9 60.3 92.3 149 153 A E T 3 S+ 0 0 155 2,-0.1 -1,-0.2 -3,-0.0 2,-0.2 0.611 83.6 109.1 -89.8 -15.3 70.3 57.3 90.6 150 154 A L S < S- 0 0 9 -3,-1.1 28,-0.3 -6,-0.2 2,-0.0 -0.445 78.3-106.9 -71.6 133.0 71.3 58.1 87.0 151 155 A L >> - 0 0 46 -2,-0.2 4,-2.1 1,-0.1 3,-0.7 -0.316 27.0-125.4 -54.6 128.3 74.0 56.1 85.3 152 156 A E H 3> S+ 0 0 4 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.808 108.2 55.7 -49.8 -34.7 77.2 58.1 85.1 153 157 A L H 3> S+ 0 0 18 127,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.928 108.2 47.0 -67.0 -42.6 77.4 57.6 81.3 154 158 A K H <> S+ 0 0 46 -3,-0.7 4,-2.5 1,-0.2 -2,-0.2 0.939 115.5 46.2 -63.3 -46.1 74.0 59.0 80.7 155 159 A R H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.906 113.7 47.2 -63.5 -44.3 74.7 62.0 82.9 156 160 A F H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 5,-0.2 0.965 113.9 47.6 -61.2 -52.5 78.2 62.7 81.4 157 161 A S H X S+ 0 0 33 -4,-2.5 4,-1.4 1,-0.3 -2,-0.2 0.929 111.5 50.7 -53.7 -48.2 76.8 62.5 77.9 158 162 A F H X S+ 0 0 5 -4,-2.5 4,-1.7 1,-0.2 -1,-0.3 0.877 112.5 48.0 -58.9 -37.5 73.9 64.7 78.8 159 163 A F H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.884 106.4 55.3 -71.6 -38.6 76.4 67.1 80.2 160 164 A Q H < S+ 0 0 32 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.737 109.0 49.8 -67.2 -21.5 78.7 67.0 77.2 161 165 A A H >< S+ 0 0 3 -4,-1.4 3,-1.2 -5,-0.2 4,-0.3 0.889 110.6 46.6 -82.5 -43.4 75.8 68.0 75.0 162 166 A L H >< S+ 0 0 1 -4,-1.7 3,-2.9 1,-0.3 6,-0.2 0.930 103.2 65.9 -61.4 -42.7 74.6 70.9 77.1 163 167 A N T 3< S+ 0 0 3 -4,-2.5 26,-0.5 1,-0.3 -1,-0.3 0.697 103.2 48.8 -49.1 -23.5 78.3 72.0 77.2 164 168 A Q T < S+ 0 0 17 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.452 79.9 111.0-100.7 -4.3 77.9 72.6 73.5 165 169 A I X - 0 0 4 -3,-2.9 3,-2.6 -4,-0.3 4,-0.3 -0.638 59.3-149.4 -79.8 111.9 74.7 74.6 73.4 166 170 A P G > S+ 0 0 29 0, 0.0 3,-2.8 0, 0.0 -1,-0.2 0.880 94.8 60.4 -40.1 -56.4 75.6 78.2 72.4 167 171 A G G 3 S+ 0 0 14 1,-0.3 -2,-0.1 -38,-0.2 -37,-0.0 0.686 106.2 47.7 -49.7 -23.1 72.8 79.7 74.5 168 172 A F G X S+ 0 0 1 -3,-2.6 3,-2.0 -6,-0.2 20,-0.3 0.303 76.8 138.4-102.7 8.7 74.3 78.2 77.6 169 173 A Q T < S+ 0 0 118 -3,-2.8 20,-0.2 -4,-0.3 3,-0.1 -0.339 78.8 9.6 -56.8 123.1 77.9 79.4 77.0 170 174 A G T 3 S+ 0 0 28 18,-2.5 -1,-0.3 1,-0.3 19,-0.1 0.147 95.8 131.2 93.3 -21.0 79.3 80.7 80.3 171 175 A E < - 0 0 76 -3,-2.0 17,-2.9 16,-0.1 2,-0.3 -0.279 51.6-130.8 -66.5 152.0 76.4 79.4 82.5 172 176 A Q E -B 187 0B 127 15,-0.2 2,-0.3 -3,-0.1 15,-0.2 -0.780 24.5-174.5-103.5 149.8 77.2 77.4 85.6 173 177 A V E -B 186 0B 3 13,-2.5 13,-2.9 -2,-0.3 2,-0.4 -0.990 25.8-119.0-142.8 149.9 75.6 74.1 86.5 174 178 A E E -B 185 0B 55 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.718 30.5-171.1 -87.6 138.5 75.6 71.6 89.4 175 179 A Y E -B 184 0B 0 9,-2.4 9,-2.3 -2,-0.4 2,-0.6 -0.981 7.3-160.1-135.8 123.4 76.8 68.2 88.6 176 180 A F E -B 183 0B 43 -31,-2.9 2,-0.6 -2,-0.4 7,-0.2 -0.889 0.9-162.4-109.6 116.4 76.6 65.2 90.9 177 181 A N E >> -B 182 0B 0 5,-1.6 5,-1.3 -2,-0.6 4,-1.0 -0.834 5.1-160.3 -95.9 119.9 78.9 62.2 90.4 178 182 A S T 45S+ 0 0 37 -2,-0.6 -1,-0.1 -28,-0.3 57,-0.1 0.731 89.9 57.6 -70.6 -22.5 77.6 59.1 92.3 179 183 A K T 45S+ 0 0 61 55,-0.4 -1,-0.2 1,-0.2 56,-0.1 0.853 114.6 35.8 -75.3 -36.5 81.0 57.4 92.2 180 184 A L T 45S- 0 0 36 2,-0.2 -2,-0.2 -3,-0.2 -1,-0.2 0.556 103.2-135.0 -91.5 -9.7 82.7 60.3 94.0 181 185 A K T <5 + 0 0 174 -4,-1.0 2,-0.3 1,-0.1 -3,-0.2 0.925 68.3 89.8 54.3 52.9 79.7 61.0 96.2 182 186 A Q E < -B 177 0B 87 -5,-1.3 -5,-1.6 -7,-0.0 2,-0.2 -0.903 67.2-123.9-173.1 144.0 79.7 64.7 95.7 183 187 A K E -B 176 0B 126 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.3 -0.530 23.3-161.4 -92.8 159.2 78.4 67.5 93.5 184 188 A F E -B 175 0B 17 -9,-2.3 -9,-2.4 -2,-0.2 2,-0.6 -0.887 20.3-124.4-134.0 164.9 80.4 70.1 91.7 185 189 A T E -B 174 0B 74 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.961 37.7-178.5-113.0 115.8 79.8 73.5 90.1 186 190 A L E -B 173 0B 6 -13,-2.9 -13,-2.5 -2,-0.6 2,-0.4 -0.844 24.0-129.4-117.8 156.2 80.9 73.5 86.4 187 191 A T E > -B 172 0B 33 -2,-0.3 3,-0.5 -15,-0.2 4,-0.4 -0.860 23.5-137.8-103.2 133.8 81.0 76.1 83.7 188 192 A L T 3 S+ 0 0 0 -17,-2.9 -18,-2.5 -2,-0.4 -25,-0.1 -0.553 76.0 18.6 -89.9 153.7 79.4 75.3 80.3 189 193 A G T 3 S+ 0 0 11 -26,-0.5 -1,-0.2 -20,-0.2 3,-0.1 0.520 96.2 93.5 71.2 7.2 80.9 76.1 76.9 190 194 A E S < S+ 0 0 90 -3,-0.5 -179,-1.8 1,-0.3 2,-0.3 0.899 86.5 21.2 -95.4 -52.6 84.5 76.7 78.0 191 195 A F B -A 10 0A 91 -4,-0.4 2,-0.6 -181,-0.3 3,-0.4 -0.861 65.3-124.8-122.3 154.3 86.2 73.3 77.5 192 196 A E S S+ 0 0 22 -183,-2.5 -32,-0.0 -2,-0.3 -185,-0.0 -0.797 112.6 8.1 -81.1 123.6 85.8 70.1 75.6 193 197 A I S S- 0 0 3 -2,-0.6 2,-1.3 1,-0.2 -1,-0.3 0.971 84.5-155.0 60.4 84.2 85.9 67.9 78.7 194 198 A A + 0 0 13 -3,-0.4 -1,-0.2 -7,-0.0 2,-0.2 -0.522 31.3 155.6 -93.5 70.0 85.8 70.4 81.5 195 199 A Q - 0 0 12 -2,-1.3 43,-0.2 1,-0.1 41,-0.1 -0.534 50.5 -88.1 -92.4 161.6 87.4 68.4 84.3 196 200 A Q > - 0 0 69 41,-1.6 4,-2.2 -2,-0.2 5,-0.2 -0.270 45.9-101.1 -64.2 155.4 89.2 69.9 87.3 197 201 A P H > S+ 0 0 105 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.878 120.7 46.6 -44.0 -54.1 93.0 70.7 86.9 198 202 A D H > S+ 0 0 122 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.951 112.4 48.7 -58.7 -51.2 94.2 67.6 88.8 199 203 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.831 110.4 53.3 -59.2 -31.6 91.8 65.2 87.0 200 204 A K H X S+ 0 0 41 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.917 111.5 43.4 -70.3 -42.9 92.9 66.7 83.7 201 205 A A H X S+ 0 0 37 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.873 112.1 55.6 -68.8 -37.9 96.6 66.2 84.4 202 206 A Y H X S+ 0 0 19 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.925 112.8 39.7 -62.1 -48.1 95.9 62.7 85.7 203 207 A F H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.859 111.4 58.4 -70.7 -34.0 94.2 61.6 82.6 204 208 A E H X S+ 0 0 123 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.944 112.5 40.9 -59.2 -44.4 96.7 63.4 80.4 205 209 A Q H X S+ 0 0 103 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.857 111.8 55.0 -70.1 -37.9 99.4 61.3 82.0 206 210 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.838 108.7 49.3 -65.6 -33.0 97.4 58.1 82.0 207 211 A I H X S+ 0 0 36 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.890 110.5 49.4 -73.1 -41.6 96.8 58.4 78.2 208 212 A T H X S+ 0 0 67 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.879 111.6 51.2 -65.7 -36.4 100.5 59.0 77.6 209 213 A Q H X S+ 0 0 55 -4,-2.2 4,-2.4 2,-0.2 3,-0.2 0.951 110.9 43.1 -68.3 -49.6 101.4 56.0 79.7 210 214 A I H X S+ 0 0 2 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.799 112.9 57.0 -67.4 -22.6 99.2 53.4 78.1 211 215 A Q H < S+ 0 0 99 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.865 110.4 43.4 -72.2 -35.5 100.3 54.9 74.8 212 216 A Q H >< S+ 0 0 119 -4,-1.6 3,-1.0 -3,-0.2 -2,-0.2 0.834 112.0 51.4 -79.0 -33.1 103.9 54.2 75.7 213 217 A L H 3< S+ 0 0 79 -4,-2.4 3,-0.2 1,-0.3 -1,-0.2 0.718 115.7 43.0 -76.6 -20.1 103.2 50.7 77.1 214 218 A F T 3< S+ 0 0 3 -4,-1.1 7,-0.3 -5,-0.2 -1,-0.3 -0.191 74.1 124.8-116.0 39.0 101.4 49.7 73.9 215 219 A L S < S+ 0 0 121 -3,-1.0 -1,-0.1 1,-0.2 -2,-0.1 0.785 81.9 39.3 -69.5 -27.8 103.8 51.3 71.4 216 220 A K S S+ 0 0 179 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.794 114.5 58.5 -88.5 -31.2 104.3 48.1 69.5 217 221 A E > + 0 0 54 1,-0.2 4,-1.5 -4,-0.1 -1,-0.2 -0.758 54.9 170.2-108.2 90.3 100.6 47.1 69.8 218 222 A P H > S+ 0 0 86 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.770 81.5 53.8 -66.1 -30.4 98.3 49.7 68.2 219 223 A V H > S+ 0 0 90 2,-0.2 4,-1.4 1,-0.2 3,-0.2 0.913 109.2 48.1 -71.3 -43.8 95.2 47.5 68.5 220 224 A N H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.811 104.8 59.7 -66.1 -30.4 95.8 46.9 72.2 221 225 A A H X S+ 0 0 10 -4,-1.5 4,-2.6 -7,-0.3 -1,-0.2 0.894 103.8 52.6 -64.7 -36.6 96.2 50.7 72.6 222 226 A E H X S+ 0 0 73 -4,-1.2 4,-1.2 2,-0.2 -2,-0.2 0.881 109.5 46.8 -65.7 -41.0 92.7 51.1 71.3 223 227 A F H X S+ 0 0 118 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.895 114.3 47.4 -69.1 -38.2 91.2 48.6 73.8 224 228 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.893 107.0 58.0 -68.7 -38.4 93.1 50.2 76.6 225 229 A N H X S+ 0 0 20 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.808 102.2 55.4 -61.7 -28.5 91.9 53.6 75.4 226 230 A E H X S+ 0 0 75 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.913 106.2 50.0 -69.2 -41.6 88.4 52.4 75.8 227 231 A I H X S+ 0 0 7 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.917 107.7 53.6 -63.3 -40.7 89.0 51.5 79.4 228 232 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.868 107.1 53.1 -60.1 -36.2 90.5 55.0 79.9 229 233 A D H X S+ 0 0 7 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.930 105.7 52.6 -63.6 -46.9 87.2 56.4 78.5 230 234 A A H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.884 111.8 46.1 -57.4 -40.6 85.1 54.5 80.9 231 235 A F H X S+ 0 0 0 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.859 111.6 51.0 -72.1 -35.3 87.1 55.8 83.9 232 236 A L H < S+ 0 0 0 -4,-2.1 4,-0.3 -5,-0.2 -2,-0.2 0.895 115.8 42.9 -68.9 -37.9 87.0 59.4 82.5 233 237 A V H >< S+ 0 0 0 -4,-2.8 3,-0.6 1,-0.2 -2,-0.2 0.935 112.6 50.8 -72.8 -46.0 83.2 59.1 82.2 234 238 A S H 3< S+ 0 0 0 -4,-2.6 -55,-0.4 1,-0.2 -1,-0.2 0.679 127.2 24.4 -68.1 -18.1 82.5 57.4 85.5 235 239 A Y T >< S+ 0 0 16 -4,-1.2 3,-1.5 3,-0.2 -1,-0.2 0.234 86.6 158.6-125.2 7.9 84.5 59.9 87.5 236 240 A F T < + 0 0 0 -3,-0.6 -2,-0.1 -4,-0.3 -1,-0.1 0.444 66.0 43.3 -3.2 -79.0 84.2 62.7 85.0 237 241 A P T 3 S+ 0 0 0 0, 0.0 -41,-1.6 0, 0.0 -1,-0.3 0.944 133.9 4.1 -46.7 -53.1 84.8 65.9 87.0 238 242 A L S < S- 0 0 43 -3,-1.5 -3,-0.2 -43,-0.2 -58,-0.0 0.165 88.4 -95.1-104.7-139.7 87.7 64.2 88.8 239 243 A H - 0 0 54 -5,-0.1 -7,-0.1 -37,-0.0 -40,-0.1 -0.960 44.2 -78.9-143.0 159.2 89.5 60.9 88.5 240 244 A P - 0 0 0 0, 0.0 2,-2.9 0, 0.0 4,-0.1 -0.198 46.9-104.8 -61.7 151.5 89.3 57.5 90.3 241 245 A P S S+ 0 0 104 0, 0.0 -61,-0.0 0, 0.0 0, 0.0 -0.286 83.1 121.1 -71.0 53.5 90.9 57.1 93.8 242 246 A V S S- 0 0 11 -2,-2.9 2,-0.6 27,-0.0 5,-0.0 -0.976 75.0-110.0-129.1 135.4 93.7 55.2 92.2 243 247 A P >> - 0 0 75 0, 0.0 3,-1.9 0, 0.0 4,-1.5 -0.472 37.9-128.4 -61.5 111.0 97.5 55.7 92.1 244 248 A L H 3> S+ 0 0 26 -2,-0.6 4,-2.2 1,-0.3 3,-0.3 0.751 104.1 48.3 -26.6 -59.8 98.0 56.7 88.4 245 249 A A H 3> S+ 0 0 65 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.841 108.4 55.9 -58.8 -35.4 100.8 54.2 87.6 246 250 A Q H <> S+ 0 0 105 -3,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.888 107.5 48.8 -65.5 -38.8 98.8 51.4 89.3 247 251 A L H X S+ 0 0 0 -4,-1.5 4,-2.7 -3,-0.3 5,-0.3 0.954 109.3 51.7 -65.9 -48.5 95.8 52.0 87.0 248 252 A A H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.875 110.3 50.5 -54.3 -41.4 98.0 52.1 83.8 249 253 A A H X S+ 0 0 49 -4,-1.9 4,-3.8 2,-0.2 -1,-0.2 0.959 112.1 43.5 -66.3 -51.0 99.5 48.7 84.8 250 254 A K H X S+ 0 0 40 -4,-2.2 4,-3.5 1,-0.2 -2,-0.2 0.868 112.2 53.9 -65.3 -33.1 96.3 46.9 85.4 251 255 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 5,-0.3 0.912 114.2 43.4 -64.1 -39.1 94.8 48.4 82.3 252 256 A Y H X S+ 0 0 79 -4,-2.0 4,-2.9 -5,-0.3 5,-0.3 0.957 115.8 46.1 -67.7 -53.0 97.8 47.0 80.5 253 257 A E H X S+ 0 0 50 -4,-3.8 4,-2.7 1,-0.2 5,-0.3 0.950 111.6 55.3 -54.1 -49.6 97.7 43.7 82.3 254 258 A Y H X S+ 0 0 41 -4,-3.5 4,-2.1 -5,-0.2 -1,-0.2 0.897 117.0 30.6 -52.2 -54.4 94.0 43.5 81.7 255 259 A V H X S+ 0 0 7 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.906 115.4 60.0 -76.9 -38.3 94.0 43.8 77.9 256 260 A S H < S+ 0 0 36 -4,-2.9 3,-0.3 -5,-0.3 -2,-0.2 0.917 114.0 38.7 -51.2 -45.5 97.4 42.2 77.4 257 261 A Q H < S+ 0 0 38 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.913 101.3 69.5 -73.1 -45.6 95.9 39.1 79.0 258 262 A I H < S+ 0 0 92 -4,-2.1 2,-3.5 -5,-0.3 3,-0.2 0.739 76.9 83.8 -49.1 -24.9 92.4 39.1 77.5 259 263 A V S < S- 0 0 93 -4,-1.2 -1,-0.3 -3,-0.3 -4,-0.0 -0.427 133.8 -45.3 -77.4 66.2 94.1 38.3 74.2 260 264 A L S S+ 0 0 159 -2,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.987 112.9 96.8 64.0 95.2 93.8 34.8 75.7 261 265 A N S S- 0 0 85 -3,-0.2 2,-0.7 2,-0.0 -1,-0.2 -0.497 75.2-103.8 161.9 125.2 94.8 34.5 79.3 262 266 A E - 0 0 165 -2,-0.2 -4,-0.1 1,-0.0 -5,-0.0 -0.533 32.5-141.4 -74.6 108.8 92.5 34.6 82.4 263 267 A A - 0 0 26 -2,-0.7 2,-0.9 -9,-0.1 3,-0.0 -0.197 25.7-106.3 -61.6 157.7 92.6 38.0 84.2 264 268 A V > - 0 0 62 1,-0.1 3,-0.8 2,-0.0 6,-0.3 -0.769 28.4-174.2 -97.3 103.9 92.4 37.8 88.1 265 269 A N T 3 S+ 0 0 96 -2,-0.9 -1,-0.1 1,-0.2 6,-0.1 0.603 80.7 72.7 -67.9 -11.7 89.1 38.9 89.5 266 270 A L T 3 S+ 0 0 156 4,-0.1 -1,-0.2 5,-0.0 2,-0.1 0.924 78.7 87.4 -68.6 -42.1 90.6 38.6 93.0 267 271 A K S <> S- 0 0 79 -3,-0.8 4,-2.2 1,-0.1 3,-0.4 -0.366 76.8-141.8 -60.0 126.3 92.6 41.8 92.4 268 272 A D H > S+ 0 0 122 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.801 99.3 58.9 -61.3 -29.8 90.6 44.9 93.3 269 273 A E H > S+ 0 0 14 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.897 108.9 41.6 -67.4 -41.4 92.1 46.8 90.4 270 274 A L H > S+ 0 0 0 -3,-0.4 4,-2.4 -6,-0.3 5,-0.2 0.891 113.4 56.0 -72.1 -38.5 90.8 44.3 87.8 271 275 A I H X S+ 0 0 63 -4,-2.2 4,-2.6 -7,-0.2 5,-0.2 0.951 111.0 40.8 -57.3 -54.8 87.5 44.1 89.6 272 276 A K H X S+ 0 0 41 -4,-2.4 4,-1.5 1,-0.2 5,-0.3 0.865 112.4 58.1 -64.4 -32.3 86.8 47.8 89.5 273 277 A L H X S+ 0 0 0 -4,-1.3 4,-4.1 -5,-0.3 -1,-0.2 0.914 111.1 41.1 -61.0 -44.2 88.1 47.8 86.0 274 278 A I H X>S+ 0 0 35 -4,-2.4 5,-0.7 2,-0.2 4,-0.6 0.848 109.6 57.5 -72.9 -37.2 85.4 45.2 85.0 275 279 A V H <5S+ 0 0 71 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.792 125.4 23.8 -65.2 -24.9 82.7 46.9 87.0 276 280 A H H X5S+ 0 0 8 -4,-1.5 4,-1.1 -5,-0.2 5,-0.4 0.861 94.3 93.1-102.4 -54.9 83.4 50.0 84.9 277 281 A T H <5S- 0 0 19 -4,-4.1 -47,-0.2 -5,-0.3 -3,-0.1 0.546 124.0 -44.5 -9.7 -55.4 85.0 48.8 81.6 278 282 A L T ><5S+ 0 0 91 -4,-0.6 3,-1.2 -5,-0.1 -1,-0.3 0.267 119.6 97.1-161.2 -21.0 81.7 48.7 79.9 279 283 A Y T 34