==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTON TRANSPORT 22-MAY-09 3HJL . COMPND 2 MOLECULE: FLAGELLAR MOTOR SWITCH PROTEIN FLIG; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR L.K.LEE,M.A.GINSBURG,C.CROVACE,M.DONOHOE,D.STOCK . 321 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21928.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 75.7 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 . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 204 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 4 2 1 3 1 2 1 1 0 1 0 1 0 0 2 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 5 A K > 0 0 107 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 41.8 -36.0 78.4 55.5 2 6 A S H > + 0 0 82 2,-0.2 4,-1.8 3,-0.1 5,-0.1 0.931 360.0 37.4 -79.2 -52.1 -34.7 81.8 54.4 3 7 A A H > S+ 0 0 77 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.838 116.5 56.6 -65.7 -33.9 -35.7 83.7 57.6 4 8 A L H > S+ 0 0 80 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.879 107.9 46.4 -62.9 -40.2 -34.6 80.5 59.5 5 9 A S H X S+ 0 0 54 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.836 110.5 51.8 -73.5 -36.4 -31.1 80.6 58.0 6 10 A K H X S+ 0 0 139 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.935 112.7 46.9 -61.3 -44.5 -30.7 84.3 58.7 7 11 A A H X S+ 0 0 31 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.859 111.0 52.1 -61.9 -39.2 -31.7 83.5 62.3 8 12 A Q H X S+ 0 0 38 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.865 108.7 50.1 -65.6 -39.1 -29.2 80.5 62.2 9 13 A K H X S+ 0 0 51 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.932 109.8 50.8 -60.4 -50.6 -26.5 82.9 61.0 10 14 A A H X S+ 0 0 42 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.897 110.3 50.8 -51.7 -44.6 -27.3 85.3 63.9 11 15 A A H X S+ 0 0 1 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.907 112.9 44.3 -60.1 -45.9 -27.1 82.3 66.3 12 16 A V H X S+ 0 0 7 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.902 112.9 51.6 -68.7 -42.3 -23.7 81.3 65.0 13 17 A L H X S+ 0 0 35 -4,-3.1 4,-3.0 2,-0.2 -2,-0.2 0.924 105.0 56.7 -57.4 -48.1 -22.4 84.9 65.0 14 18 A L H < S+ 0 0 15 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.897 116.6 35.6 -50.1 -44.9 -23.5 85.4 68.6 15 19 A L H < S+ 0 0 74 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.729 123.9 41.9 -83.1 -24.2 -21.4 82.4 69.7 16 20 A S H < S+ 0 0 2 -4,-1.9 -2,-0.2 -3,-0.1 63,-0.2 0.737 90.3 92.7 -98.0 -32.5 -18.4 83.0 67.2 17 21 A L S < S- 0 0 16 -4,-3.0 53,-0.1 -5,-0.2 5,-0.0 -0.194 90.2 -83.1 -60.9 157.8 -17.8 86.8 67.2 18 22 A P >> - 0 0 38 0, 0.0 4,-2.5 0, 0.0 3,-0.6 -0.271 37.7-116.8 -60.2 150.9 -15.2 88.3 69.6 19 23 A E H 3> S+ 0 0 159 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.767 113.4 62.7 -63.8 -26.5 -16.5 88.9 73.2 20 24 A E H 3> S+ 0 0 98 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.896 112.6 37.0 -61.3 -41.7 -16.0 92.7 72.8 21 25 A V H <> S+ 0 0 42 -3,-0.6 4,-0.9 1,-0.1 3,-0.5 0.945 121.0 43.6 -74.8 -51.0 -18.6 92.7 70.0 22 26 A S H X S+ 0 0 15 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.632 99.0 69.4 -77.1 -17.7 -21.0 90.1 71.5 23 27 A M H X S+ 0 0 100 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.903 103.3 47.2 -63.9 -39.0 -21.0 91.4 75.1 24 28 A N H X S+ 0 0 79 -4,-0.5 4,-1.7 -3,-0.5 -2,-0.2 0.846 108.6 54.7 -67.7 -37.2 -22.9 94.4 73.8 25 29 A I H X S+ 0 0 53 -4,-0.9 4,-2.1 1,-0.2 -2,-0.2 0.939 108.3 49.0 -60.5 -47.7 -25.3 92.1 71.8 26 30 A V H < S+ 0 0 67 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.860 108.6 53.4 -60.6 -40.7 -26.2 90.2 75.0 27 31 A K H < S+ 0 0 156 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.860 113.0 42.1 -64.1 -40.3 -26.9 93.4 77.0 28 32 A E H < S+ 0 0 165 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.804 103.2 79.6 -76.3 -36.6 -29.4 94.8 74.4 29 33 A L S < S- 0 0 46 -4,-2.1 2,-0.1 -5,-0.2 0, 0.0 -0.522 79.8-127.4 -72.7 144.1 -31.1 91.4 73.9 30 34 A S > - 0 0 58 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.237 29.2-101.9 -79.0 175.6 -33.7 90.1 76.4 31 35 A E H > S+ 0 0 127 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.881 122.4 53.7 -70.1 -38.0 -33.5 86.6 77.9 32 36 A E H > S+ 0 0 147 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.917 111.0 46.8 -59.6 -44.4 -36.2 85.3 75.6 33 37 A E H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.926 111.0 49.9 -65.3 -49.2 -34.2 86.5 72.5 34 38 A L H X S+ 0 0 11 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.877 111.9 49.6 -56.8 -40.4 -30.9 85.1 73.8 35 39 A Q H X S+ 0 0 96 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.816 107.3 53.5 -70.2 -34.4 -32.6 81.7 74.4 36 40 A K H X S+ 0 0 107 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.930 110.8 48.1 -62.7 -43.4 -34.2 81.7 70.9 37 41 A L H X S+ 0 0 27 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.893 111.9 48.9 -64.2 -37.9 -30.6 82.2 69.6 38 42 A F H X S+ 0 0 79 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.917 110.9 49.5 -68.3 -42.1 -29.2 79.4 71.8 39 43 A A H X S+ 0 0 58 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.876 109.4 53.6 -64.0 -36.8 -32.0 77.0 70.7 40 44 A L H < S+ 0 0 41 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.911 111.2 44.9 -60.3 -45.2 -31.3 77.9 67.1 41 45 A A H >< S+ 0 0 9 -4,-1.8 3,-1.4 1,-0.2 -2,-0.2 0.927 113.4 49.9 -66.5 -45.8 -27.5 77.0 67.5 42 46 A K H 3< S+ 0 0 194 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.815 111.2 49.7 -60.2 -35.0 -28.3 73.8 69.4 43 47 A D T 3< S+ 0 0 135 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.241 82.4 134.4 -93.3 13.7 -30.7 72.6 66.7 44 48 A L < - 0 0 25 -3,-1.4 2,-0.1 39,-0.1 -3,-0.1 -0.331 58.6-115.8 -63.9 141.7 -28.4 73.3 63.7 45 49 A E - 0 0 160 1,-0.1 2,-0.1 39,-0.1 -1,-0.1 -0.438 37.1-100.1 -70.5 151.6 -28.1 70.6 61.0 46 50 A S - 0 0 60 -2,-0.1 -1,-0.1 38,-0.1 41,-0.1 -0.487 40.4-165.8 -74.8 146.5 -24.6 69.0 60.6 47 51 A V - 0 0 27 38,-1.7 40,-0.2 -2,-0.1 5,-0.1 -1.000 26.0-102.4-138.2 133.3 -22.4 70.3 57.8 48 52 A P > - 0 0 46 0, 0.0 4,-1.8 0, 0.0 3,-0.5 -0.163 35.8-115.5 -50.1 146.3 -19.2 68.8 56.2 49 53 A E H > S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.854 114.5 52.9 -56.1 -44.0 -16.0 70.5 57.3 50 54 A E H > S+ 0 0 148 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.846 111.8 47.1 -59.6 -38.5 -15.1 71.9 53.9 51 55 A E H > S+ 0 0 107 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.769 106.8 56.6 -75.4 -28.9 -18.6 73.5 53.7 52 56 A I H X S+ 0 0 7 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.853 105.8 52.6 -68.7 -35.2 -18.3 74.9 57.3 53 57 A E H X S+ 0 0 72 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.888 109.7 47.4 -63.1 -43.0 -15.1 76.7 56.1 54 58 A N H X S+ 0 0 94 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.879 113.9 47.7 -66.6 -40.4 -16.9 78.2 53.1 55 59 A I H X S+ 0 0 61 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.895 113.1 49.4 -60.9 -44.8 -19.8 79.3 55.5 56 60 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.897 112.6 46.1 -62.0 -46.0 -17.2 80.7 57.9 57 61 A E H X S+ 0 0 108 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.763 112.8 50.2 -70.1 -30.2 -15.4 82.7 55.2 58 62 A E H X S+ 0 0 99 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.964 113.2 45.9 -68.3 -54.5 -18.7 84.0 53.8 59 63 A L H X S+ 0 0 2 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.839 112.4 51.4 -52.8 -43.2 -19.8 85.1 57.3 60 64 A L H X S+ 0 0 16 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.924 113.6 43.2 -63.3 -46.0 -16.4 86.7 57.9 61 65 A D H X S+ 0 0 67 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.843 113.5 53.7 -65.9 -35.3 -16.5 88.6 54.6 62 66 A E H X S+ 0 0 85 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.911 111.5 42.6 -67.2 -47.0 -20.2 89.5 55.3 63 67 A I H <>S+ 0 0 13 -4,-2.3 5,-2.2 2,-0.2 4,-0.4 0.729 111.1 55.5 -75.6 -25.8 -19.6 91.0 58.8 64 68 A K H ><5S+ 0 0 114 -4,-1.5 3,-0.7 3,-0.2 -2,-0.2 0.891 112.0 44.2 -67.4 -42.9 -16.4 92.8 57.6 65 69 A K H 3<5S+ 0 0 167 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.741 106.9 60.8 -70.6 -26.3 -18.5 94.5 54.9 66 70 A A T 3<5S- 0 0 73 -4,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.630 126.6-101.6 -71.5 -17.9 -21.2 95.1 57.6 67 71 A G T < 5S+ 0 0 55 -3,-0.7 2,-0.5 -4,-0.4 -3,-0.2 0.755 77.2 132.3 102.2 32.5 -18.6 97.2 59.4 68 72 A I < - 0 0 56 -5,-2.2 2,-0.4 2,-0.0 -1,-0.3 -0.967 49.9-134.9-115.7 126.5 -17.3 95.0 62.2 69 73 A K - 0 0 179 -2,-0.5 2,-0.6 1,-0.0 -5,-0.0 -0.671 13.7-160.8 -84.5 130.6 -13.5 94.6 62.8 70 74 A I - 0 0 25 -2,-0.4 -6,-0.0 1,-0.1 -2,-0.0 -0.916 11.1-179.9-116.5 102.5 -12.2 91.1 63.3 71 75 A K S S+ 0 0 167 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.844 82.5 33.1 -71.5 -38.3 -8.8 91.0 65.0 72 76 A K > + 0 0 138 1,-0.1 4,-1.2 2,-0.0 3,-0.3 -0.761 67.2 168.2-120.8 80.1 -8.4 87.2 65.1 73 77 A P H > S+ 0 0 58 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.807 77.0 55.1 -64.1 -31.7 -10.2 85.9 61.9 74 78 A E H > S+ 0 0 153 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.818 105.9 52.4 -71.9 -31.2 -8.8 82.3 62.2 75 79 A E H > S+ 0 0 102 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.785 106.7 54.2 -71.5 -31.4 -10.1 82.1 65.8 76 80 A F H X S+ 0 0 3 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.912 106.9 50.7 -64.1 -44.3 -13.6 83.1 64.4 77 81 A I H X S+ 0 0 13 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.905 111.0 48.3 -61.3 -44.3 -13.4 80.3 61.8 78 82 A E H X S+ 0 0 118 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.871 108.4 54.2 -64.8 -40.4 -12.6 77.7 64.6 79 83 A N H X S+ 0 0 49 -4,-1.7 4,-1.5 1,-0.2 3,-0.5 0.882 107.5 49.9 -62.1 -40.0 -15.4 79.0 66.8 80 84 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.864 106.5 57.2 -63.9 -36.1 -17.9 78.5 64.0 81 85 A K H < S+ 0 0 55 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.719 106.5 49.2 -67.3 -22.5 -16.5 74.9 63.6 82 86 A K H < S+ 0 0 157 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.821 113.1 46.7 -80.6 -35.5 -17.4 74.2 67.3 83 87 A V H < S+ 0 0 30 -4,-1.5 -2,-0.2 -5,-0.1 -39,-0.1 0.959 102.5 64.1 -70.8 -54.1 -21.0 75.6 66.9 84 88 A I S < S- 0 0 10 -4,-2.4 -38,-0.1 -5,-0.1 -1,-0.1 -0.638 90.9-130.3 -78.0 115.1 -21.9 73.7 63.7 85 89 A P - 0 0 44 0, 0.0 -38,-1.7 0, 0.0 2,-0.1 -0.163 19.2-104.9 -70.0 161.0 -21.9 70.0 64.5 86 90 A P - 0 0 65 0, 0.0 -40,-0.1 0, 0.0 2,-0.1 -0.426 35.8-105.1 -82.5 161.2 -20.1 67.3 62.4 87 91 A T > - 0 0 21 -40,-0.2 4,-2.1 -2,-0.1 5,-0.1 -0.330 25.2-112.2 -81.4 161.9 -21.8 64.8 60.1 88 92 A L H > S+ 0 0 115 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.849 119.4 57.7 -58.7 -39.1 -22.4 61.1 60.8 89 93 A A H > S+ 0 0 60 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.915 107.0 46.7 -56.8 -47.1 -19.9 60.3 58.0 90 94 A E H > S+ 0 0 47 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.877 111.6 51.3 -64.4 -38.7 -17.2 62.3 59.8 91 95 A K H X S+ 0 0 113 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.887 111.0 48.7 -63.0 -40.6 -18.1 60.6 63.1 92 96 A F H X S+ 0 0 122 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.893 108.2 54.1 -65.9 -42.0 -17.7 57.2 61.3 93 97 A R H X S+ 0 0 140 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.940 109.6 47.0 -56.5 -50.9 -14.4 58.2 59.7 94 98 A G H X S+ 0 0 26 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.869 112.3 50.8 -57.7 -40.9 -13.0 59.1 63.2 95 99 A I H X S+ 0 0 110 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.929 111.4 47.5 -62.5 -44.5 -14.3 55.8 64.5 96 100 A L H X S+ 0 0 115 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.840 111.0 51.3 -66.5 -39.3 -12.7 53.8 61.6 97 101 A E H X S+ 0 0 93 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.897 112.1 46.6 -60.2 -48.3 -9.3 55.7 62.2 98 102 A L H X S+ 0 0 116 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.874 111.4 52.5 -62.0 -39.7 -9.4 54.8 65.9 99 103 A G H X S+ 0 0 34 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.846 108.4 49.8 -65.6 -37.7 -10.3 51.2 65.0 100 104 A D H X S+ 0 0 68 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.933 110.6 49.3 -67.4 -45.7 -7.4 50.8 62.6 101 105 A A H X S+ 0 0 8 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.905 111.9 50.2 -56.8 -42.8 -4.9 52.2 65.2 102 106 A E H X S+ 0 0 115 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.904 109.3 50.6 -62.0 -43.9 -6.4 49.8 67.8 103 107 A K H X S+ 0 0 109 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.901 111.5 48.4 -60.8 -43.8 -6.0 46.9 65.3 104 108 A I H X S+ 0 0 13 -4,-2.4 4,-1.5 1,-0.2 3,-0.4 0.941 111.7 48.2 -62.0 -48.3 -2.3 47.8 64.7 105 109 A L H X S+ 0 0 23 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.794 106.5 57.9 -68.0 -26.8 -1.5 48.1 68.4 106 110 A K H X S+ 0 0 119 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.857 105.5 50.2 -66.5 -37.7 -3.2 44.7 69.0 107 111 A E H < S+ 0 0 80 -4,-1.4 4,-0.5 -3,-0.4 -2,-0.2 0.832 109.7 50.9 -65.9 -36.6 -0.7 43.1 66.6 108 112 A I H >< S+ 0 0 0 -4,-1.5 3,-0.9 1,-0.2 -2,-0.2 0.838 104.2 58.5 -63.8 -38.4 2.1 44.9 68.5 109 113 A E H 3< S+ 0 0 57 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.742 100.7 56.7 -65.1 -28.5 0.6 43.4 71.7 110 114 A K T 3< S+ 0 0 150 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.715 88.3 96.5 -72.9 -21.9 1.1 39.9 70.2 111 115 A V S < S- 0 0 22 -3,-0.9 2,-0.1 -4,-0.5 5,-0.1 -0.472 90.8 -99.3 -78.1 137.3 4.8 40.4 69.7 112 116 A D >> - 0 0 64 -2,-0.2 4,-1.8 1,-0.1 3,-1.0 -0.352 28.1-132.7 -54.1 126.9 7.3 39.2 72.3 113 117 A S H 3> S+ 0 0 5 1,-0.3 4,-2.5 2,-0.2 -1,-0.1 0.695 105.4 61.1 -58.9 -24.3 8.3 42.1 74.6 114 118 A R H 3> S+ 0 0 168 2,-0.2 4,-2.2 3,-0.2 -1,-0.3 0.871 106.6 46.4 -66.6 -39.2 12.0 41.2 74.2 115 119 A I H <> S+ 0 0 76 -3,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.909 114.2 46.8 -68.7 -43.1 11.7 41.7 70.5 116 120 A L H X S+ 0 0 0 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.920 113.1 49.0 -64.9 -45.0 9.8 45.1 71.0 117 121 A A H X S+ 0 0 2 -4,-2.5 4,-1.8 2,-0.2 3,-0.3 0.926 111.5 50.6 -58.4 -45.3 12.4 46.2 73.6 118 122 A S H < S+ 0 0 73 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.896 112.9 44.7 -60.0 -46.1 15.3 45.2 71.2 119 123 A L H < S+ 0 0 42 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.697 119.1 43.9 -69.3 -23.8 13.7 47.2 68.3 120 124 A L H >< S+ 0 0 7 -4,-1.4 3,-1.8 -3,-0.3 -2,-0.2 0.691 88.8 84.5 -95.3 -20.6 13.0 50.2 70.5 121 125 A K T 3< S+ 0 0 98 -4,-1.8 -1,-0.1 1,-0.3 -2,-0.1 0.725 92.8 44.7 -65.4 -27.3 16.2 50.6 72.6 122 126 A N T 3 S+ 0 0 153 -4,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 0.391 94.7 102.6 -92.2 0.7 18.2 52.7 70.1 123 127 A E S < S- 0 0 90 -3,-1.8 -3,-0.1 1,-0.1 5,-0.0 -0.360 91.9 -83.1 -78.2 160.4 15.2 54.9 69.4 124 128 A H >> - 0 0 105 1,-0.1 4,-1.7 -2,-0.1 3,-1.1 -0.460 39.8-121.5 -64.1 137.4 15.0 58.4 70.9 125 129 A P H 3> S+ 0 0 30 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.803 113.4 55.3 -52.4 -36.8 13.6 58.2 74.5 126 130 A Q H 3> S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.822 106.8 51.2 -61.7 -36.5 10.6 60.5 73.6 127 131 A T H <> S+ 0 0 15 -3,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.872 110.4 48.1 -66.9 -40.5 9.7 58.1 70.8 128 132 A I H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.921 113.2 48.8 -66.3 -42.3 9.8 55.1 73.2 129 133 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.906 110.3 49.8 -63.0 -47.6 7.6 57.0 75.6 130 134 A L H < S+ 0 0 25 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.857 114.9 45.5 -58.9 -39.8 5.1 58.1 73.0 131 135 A F H >< S+ 0 0 0 -4,-1.8 3,-1.1 2,-0.2 4,-0.3 0.931 114.4 46.1 -69.1 -50.3 4.8 54.4 71.8 132 136 A L H >< S+ 0 0 3 -4,-3.0 3,-1.5 1,-0.2 -2,-0.2 0.817 100.0 69.5 -64.8 -30.6 4.5 52.9 75.3 133 137 A S T 3< S+ 0 0 38 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.766 101.9 47.2 -56.3 -28.4 1.9 55.6 76.3 134 138 A Q T < S+ 0 0 66 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.449 98.5 85.9 -94.3 -4.3 -0.5 53.8 73.9 135 139 A L S < S- 0 0 14 -3,-1.5 -29,-0.1 -4,-0.3 -30,-0.0 -0.449 91.6 -85.8 -93.4 168.7 0.1 50.2 75.0 136 140 A S >> - 0 0 49 -2,-0.1 4,-2.5 1,-0.1 3,-0.6 -0.465 42.7-112.5 -70.8 144.3 -1.5 48.3 77.9 137 141 A P H 3> S+ 0 0 108 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.795 117.9 50.6 -47.1 -36.8 0.2 48.9 81.3 138 142 A K H 3> S+ 0 0 121 2,-0.2 4,-1.9 3,-0.2 5,-0.1 0.847 110.9 47.8 -74.7 -36.5 1.4 45.3 81.4 139 143 A K H <> S+ 0 0 18 -3,-0.6 4,-2.3 2,-0.2 5,-0.2 0.948 113.5 46.8 -63.5 -51.8 2.9 45.4 77.9 140 144 A S H X S+ 0 0 22 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.863 112.4 52.0 -59.6 -34.5 4.7 48.7 78.5 141 145 A A H X S+ 0 0 36 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.2 0.893 109.3 48.9 -66.4 -44.1 5.9 47.2 81.9 142 146 A E H X S+ 0 0 65 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.862 113.6 46.6 -62.5 -41.2 7.3 44.1 80.1 143 147 A I H >< S+ 0 0 0 -4,-2.3 3,-0.6 2,-0.2 4,-0.3 0.933 110.7 52.5 -67.0 -46.1 9.1 46.2 77.5 144 148 A I H >< S+ 0 0 26 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.919 105.2 55.3 -56.2 -44.2 10.5 48.5 80.2 145 149 A Q H 3< S+ 0 0 128 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.799 107.6 50.0 -60.7 -30.2 11.9 45.5 82.1 146 150 A N T << S+ 0 0 81 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.317 97.2 87.1 -89.6 3.3 13.8 44.4 79.0 147 151 A L S < S- 0 0 8 -3,-1.8 2,-0.1 -4,-0.3 -29,-0.1 -0.552 93.1 -85.8 -92.5 164.5 15.3 47.9 78.4 148 152 A P >> - 0 0 68 0, 0.0 4,-1.8 0, 0.0 3,-0.6 -0.413 43.6-107.9 -64.9 159.0 18.6 49.2 80.0 149 153 A E H 3> S+ 0 0 116 1,-0.3 4,-1.4 2,-0.2 5,-0.1 0.820 115.8 45.8 -61.0 -46.9 18.4 50.7 83.5 150 154 A E H 3> S+ 0 0 147 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.749 113.0 53.1 -70.7 -23.1 18.9 54.4 82.6 151 155 A L H <> S+ 0 0 26 -3,-0.6 4,-2.3 2,-0.2 5,-0.2 0.810 102.0 58.8 -79.0 -33.9 16.5 54.1 79.7 152 156 A K H X S+ 0 0 46 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.939 110.8 42.4 -54.5 -48.3 13.8 52.6 82.0 153 157 A K H X S+ 0 0 122 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.871 115.1 48.8 -68.8 -40.6 13.9 55.8 84.1 154 158 A E H X S+ 0 0 53 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.843 111.7 48.1 -73.2 -36.8 14.1 58.2 81.2 155 159 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.923 113.6 47.0 -68.8 -44.7 11.2 56.6 79.2 156 160 A V H X S+ 0 0 78 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.866 111.7 51.5 -64.8 -38.9 8.9 56.6 82.4 157 161 A K H X S+ 0 0 109 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.872 112.2 46.4 -61.9 -42.8 9.8 60.2 83.1 158 162 A R H X S+ 0 0 64 -4,-1.6 4,-0.6 2,-0.2 -2,-0.2 0.832 110.3 52.1 -71.5 -35.6 8.9 61.2 79.6 159 163 A I H >< S+ 0 0 56 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.921 108.0 54.5 -60.0 -44.4 5.7 59.3 79.7 160 164 A A H 3< S+ 0 0 82 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.821 107.3 49.1 -56.9 -38.3 5.0 61.2 83.0 161 165 A T H 3< S+ 0 0 91 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.547 84.5 117.1 -83.1 -8.7 5.4 64.6 81.2 162 166 A L << + 0 0 43 -3,-1.1 3,-0.1 -4,-0.6 -3,-0.0 -0.379 26.2 164.0 -64.6 131.6 3.1 63.7 78.3 163 167 A E S S+ 0 0 179 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.495 70.4 20.5-113.3 -22.5 0.0 65.9 77.9 164 168 A N - 0 0 137 2,-0.0 -1,-0.3 0, 0.0 2,-0.3 -0.965 57.1-167.5-143.2 158.7 -0.8 64.9 74.3 165 169 A V - 0 0 47 -2,-0.3 2,-0.6 -3,-0.1 3,-0.1 -0.949 22.4-133.3-148.9 127.5 -0.0 62.1 71.8 166 170 A N > - 0 0 105 -2,-0.3 4,-1.6 1,-0.2 5,-0.2 -0.745 16.0-156.5 -80.6 116.5 -0.7 62.1 68.0 167 171 A V H > S+ 0 0 51 -2,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.875 89.6 53.0 -62.2 -41.7 -2.4 58.8 67.3 168 172 A Q H > S+ 0 0 90 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.856 106.4 53.5 -65.0 -35.9 -1.4 58.6 63.6 169 173 A Y H > S+ 0 0 110 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.927 112.8 42.9 -62.5 -46.0 2.3 59.2 64.5 170 174 A V H X S+ 0 0 2 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.886 111.9 54.3 -69.5 -41.1 2.3 56.3 66.9 171 175 A K H X S+ 0 0 32 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.929 110.0 47.2 -54.1 -50.0 0.3 54.1 64.5 172 176 A E H X S+ 0 0 103 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.882 110.5 52.3 -60.7 -40.9 3.0 54.8 61.8 173 177 A L H X S+ 0 0 31 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.918 111.4 48.0 -58.1 -44.0 5.7 54.0 64.4 174 178 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.887 110.2 50.2 -68.4 -41.0 3.9 50.7 65.1 175 179 A Q H X S+ 0 0 68 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.857 110.0 50.4 -66.3 -38.7 3.5 49.8 61.4 176 180 A I H X S+ 0 0 86 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.841 110.5 51.1 -63.9 -35.0 7.3 50.4 60.8 177 181 A L H X S+ 0 0 12 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.904 109.4 49.9 -70.3 -39.6 8.0 48.2 63.8 178 182 A L H X S+ 0 0 44 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.879 111.8 47.9 -66.1 -40.4 5.8 45.4 62.3 179 183 A E H X S+ 0 0 123 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.806 109.6 53.0 -65.6 -35.9 7.5 45.7 58.9 180 184 A E H X S+ 0 0 75 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.850 109.1 49.2 -67.2 -37.3 10.9 45.6 60.6 181 185 A I H X S+ 0 0 43 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.892 111.7 48.8 -66.6 -43.1 9.8 42.3 62.4 182 186 A S H X S+ 0 0 87 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.856 112.6 49.3 -63.1 -35.9 8.7 40.9 59.1 183 187 A S H X S+ 0 0 47 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.854 110.3 49.0 -72.0 -40.9 12.1 42.0 57.6 184 188 A L H X S+ 0 0 62 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.829 107.6 56.5 -65.2 -36.7 14.1 40.4 60.4 185 189 A G H X S+ 0 0 39 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.886 106.1 50.0 -61.3 -41.2 12.0 37.2 60.0 186 190 A A H < S+ 0 0 51 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.869 111.5 48.3 -64.0 -41.1 13.0 37.0 56.3 187 191 A K H < S+ 0 0 149 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.833 111.1 51.0 -65.5 -36.1 16.7 37.4 57.3 188 192 A E H < S+ 0 0 167 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.735 99.9 84.5 -72.7 -24.4 16.3 34.7 60.0 189 193 A A S < S- 0 0 55 -4,-1.2 2,-0.2 -5,-0.1 3,-0.0 -0.512 89.7-106.3 -83.4 147.1 14.8 32.3 57.3 190 194 A L - 0 0 164 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.534 40.7-115.4 -66.3 130.3 16.7 30.1 55.0 191 195 A K - 0 0 157 -2,-0.2 2,-0.4 -4,-0.1 -1,-0.1 -0.564 39.1-172.0 -70.8 137.5 16.6 31.6 51.4 192 196 A L - 0 0 128 -2,-0.2 2,-1.4 -3,-0.0 3,-0.1 -0.998 28.3-138.5-141.1 129.9 14.7 29.2 49.1 193 197 A E >> - 0 0 108 -2,-0.4 4,-2.2 1,-0.2 3,-0.8 -0.684 25.4-177.5 -90.2 83.4 14.2 29.3 45.3 194 198 A G H 3> S+ 0 0 37 -2,-1.4 4,-2.8 1,-0.3 5,-0.2 0.795 77.8 56.3 -52.3 -40.4 10.5 28.3 45.3 195 199 A T H 3> S+ 0 0 20 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.879 111.2 46.1 -60.5 -37.3 10.2 28.2 41.5 196 200 A A H <> S+ 0 0 26 -3,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.915 112.9 47.8 -70.3 -47.4 13.1 25.7 41.4 197 201 A V H X S+ 0 0 80 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.934 113.7 48.3 -59.9 -45.7 11.7 23.5 44.2 198 202 A A H X S+ 0 0 32 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.863 109.0 55.3 -60.7 -38.9 8.3 23.5 42.5 199 203 A A H X S+ 0 0 2 -4,-1.7 4,-2.6 -5,-0.2 -1,-0.2 0.893 106.9 48.1 -61.8 -45.4 10.0 22.7 39.2 200 204 A E H X S+ 0 0 123 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.917 112.4 49.7 -60.3 -48.2 11.7 19.5 40.6 201 205 A L H >X S+ 0 0 96 -4,-1.9 4,-2.0 2,-0.2 3,-0.6 0.938 112.7 46.4 -56.6 -50.5 8.5 18.3 42.2 202 206 A L H 3< S+ 0 0 7 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.903 110.5 52.8 -60.7 -43.6 6.6 18.8 38.9 203 207 A N H 3< S+ 0 0 58 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.724 110.3 48.9 -63.5 -25.4 9.3 17.1 36.9 204 208 A T H << S+ 0 0 119 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.789 98.9 82.6 -80.0 -36.3 9.0 14.1 39.4 205 209 A L S < S- 0 0 46 -4,-2.0 2,-0.1 -5,-0.1 0, 0.0 -0.383 96.4 -98.1 -62.6 148.3 5.2 14.1 38.9 206 210 A D >> - 0 0 82 1,-0.1 4,-2.9 -2,-0.1 3,-0.6 -0.389 36.8-105.6 -70.8 149.5 3.8 12.2 35.9 207 211 A K H 3> S+ 0 0 141 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.783 117.8 57.0 -47.1 -40.4 3.0 14.4 32.8 208 212 A E H 3> S+ 0 0 147 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.954 117.0 33.7 -57.1 -52.2 -0.8 14.1 33.3 209 213 A T H <> S+ 0 0 62 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.935 119.2 52.4 -68.2 -50.5 -0.6 15.5 36.9 210 214 A R H X S+ 0 0 53 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.872 112.7 43.5 -52.1 -48.3 2.3 17.9 36.1 211 215 A E H X S+ 0 0 55 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.831 111.4 53.2 -72.5 -35.9 0.6 19.5 33.1 212 216 A L H X S+ 0 0 131 -4,-1.5 4,-1.5 -5,-0.3 -2,-0.2 0.853 111.1 47.7 -66.6 -36.1 -2.8 19.9 34.8 213 217 A I H X S+ 0 0 67 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.944 113.7 46.1 -66.9 -50.0 -1.2 21.7 37.7 214 218 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.884 109.8 54.2 -61.2 -42.6 0.8 24.1 35.5 215 219 A Q H X S+ 0 0 112 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.917 110.1 46.8 -58.1 -47.5 -2.2 24.8 33.3 216 220 A S H X S+ 0 0 61 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.853 111.8 50.8 -63.0 -39.8 -4.4 25.9 36.3 217 221 A I H X S+ 0 0 45 -4,-1.9 4,-2.6 1,-0.2 8,-0.3 0.884 109.5 52.4 -64.3 -38.4 -1.5 28.0 37.7 218 222 A G H < S+ 0 0 10 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.787 102.8 57.3 -67.9 -33.0 -1.2 29.7 34.3 219 223 A Q H < S+ 0 0 160 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.910 119.0 30.3 -65.0 -45.1 -4.9 30.6 34.0 220 224 A E H < S+ 0 0 171 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.877 143.4 13.3 -77.8 -42.5 -4.8 32.6 37.3 221 225 A D X + 0 0 74 -4,-2.6 4,-1.7 -5,-0.2 3,-0.3 -0.789 61.5 176.3-140.3 89.6 -1.2 33.7 37.0 222 226 A P H > S+ 0 0 85 0, 0.0 4,-1.3 0, 0.0 -4,-0.1 0.721 83.4 57.9 -69.5 -20.0 0.5 33.2 33.6 223 227 A L H > S+ 0 0 114 2,-0.2 4,-1.8 1,-0.1 5,-0.1 0.855 106.2 47.4 -75.2 -38.0 3.7 34.8 34.7 224 228 A L H > S+ 0 0 50 -3,-0.3 4,-2.1 -7,-0.2 5,-0.2 0.914 109.0 54.2 -70.7 -44.6 4.2 32.4 37.6 225 229 A E H X S+ 0 0 34 -4,-1.7 4,-2.4 -8,-0.3 -1,-0.2 0.925 110.4 47.5 -50.9 -49.9 3.6 29.3 35.4 226 230 A E H X S+ 0 0 72 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.885 108.8 52.4 -63.3 -42.6 6.3 30.5 33.0 227 231 A R H X S+ 0 0 106 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.840 111.1 49.2 -62.7 -33.5 8.8 31.2 35.8 228 232 A I H >X S+ 0 0 6 -4,-2.1 4,-1.0 2,-0.2 3,-0.6 0.936 109.5 50.7 -67.3 -47.4 8.2 27.6 37.0 229 233 A R H 3X S+ 0 0 47 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.810 103.2 60.0 -61.9 -36.1 8.7 26.2 33.4 230 234 A E H 3< S+ 0 0 100 -4,-2.1 3,-0.2 1,-0.2 -1,-0.2 0.875 108.5 45.0 -55.9 -39.3 12.0 28.1 33.0 231 235 A K H << S+ 0 0 78 -4,-0.9 3,-0.3 -3,-0.6 -2,-0.2 0.676 101.1 68.2 -79.0 -20.6 13.2 26.1 36.1 232 236 A M H < S+ 0 0 26 -4,-1.0 2,-0.4 1,-0.3 -1,-0.2 0.780 114.3 25.8 -70.0 -33.5 11.8 22.8 34.8 233 237 A F S < S+ 0 0 19 -4,-1.1 -1,-0.3 -3,-0.2 2,-0.2 -0.911 79.9 174.4-132.8 114.6 14.4 22.8 31.9 234 238 A T > - 0 0 64 -2,-0.4 3,-0.7 -3,-0.3 4,-0.1 -0.582 46.9-104.2-109.4 167.3 17.6 24.7 32.5 235 239 A F G > S+ 0 0 7 1,-0.2 3,-1.5 -2,-0.2 4,-0.2 0.843 120.7 61.1 -61.9 -32.4 20.8 25.0 30.3 236 240 A E G > S+ 0 0 78 1,-0.3 3,-1.6 2,-0.1 -1,-0.2 0.818 89.6 70.9 -64.3 -27.8 22.5 22.6 32.7 237 241 A D G X> + 0 0 28 -3,-0.7 3,-1.3 1,-0.3 4,-0.6 0.503 69.5 90.6 -70.8 -4.8 19.9 19.9 31.9 238 242 A I G X4 S+ 0 0 0 -3,-1.5 3,-0.8 1,-0.2 -1,-0.3 0.814 76.4 68.5 -56.7 -28.8 21.5 19.6 28.4 239 243 A R G <4 S+ 0 0 99 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.798 92.6 57.4 -55.1 -36.9 23.6 16.9 30.1 240 244 A K G <4 S+ 0 0 146 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.756 90.0 94.0 -68.5 -27.5 20.5 14.7 30.5 241 245 A L S << S- 0 0 10 -3,-0.8 2,-0.1 -4,-0.6 80,-0.1 -0.240 76.0-118.1 -69.2 154.8 19.9 14.7 26.7 242 246 A S > - 0 0 68 1,-0.1 4,-1.5 0, 0.0 -1,-0.1 -0.306 26.2-107.3 -82.0 171.5 21.2 11.9 24.3 243 247 A D H > S+ 0 0 88 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.858 123.0 58.6 -64.8 -36.3 23.6 12.4 21.4 244 248 A R H > S+ 0 0 207 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.880 104.3 50.2 -56.1 -44.1 20.6 11.9 19.1 245 249 A D H > S+ 0 0 18 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.878 107.6 53.0 -63.9 -41.6 18.9 14.9 20.8 246 250 A I H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.867 103.7 56.8 -63.4 -41.3 22.0 17.1 20.3 247 251 A I H X S+ 0 0 53 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.917 108.8 46.8 -54.4 -45.4 22.1 16.3 16.6 248 252 A E H < S+ 0 0 88 -4,-1.4 4,-0.5 2,-0.2 -1,-0.2 0.813 112.0 50.4 -68.5 -33.1 18.5 17.6 16.2 249 253 A I H >X S+ 0 0 0 -4,-1.6 4,-2.9 1,-0.2 3,-1.3 0.909 107.4 53.3 -68.9 -44.5 19.3 20.7 18.2 250 254 A L H 3< S+ 0 0 47 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.757 102.4 60.4 -61.6 -27.5 22.4 21.4 16.0 251 255 A K T 3< S+ 0 0 151 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.742 118.6 26.8 -68.2 -23.7 20.1 21.1 13.0 252 256 A V T <4 S+ 0 0 84 -3,-1.3 -2,-0.2 -4,-0.5 -3,-0.1 0.809 98.7 88.5-110.3 -43.7 18.0 24.1 14.3 253 257 A V S < S- 0 0 14 -4,-2.9 2,-0.2 1,-0.1 54,-0.0 -0.288 77.8-112.7 -65.7 143.9 20.2 26.4 16.5 254 258 A D > - 0 0 86 1,-0.1 4,-2.2 4,-0.0 5,-0.1 -0.494 20.3-130.4 -69.8 142.7 22.2 29.3 15.0 255 259 A K H > S+ 0 0 79 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.900 106.5 48.7 -62.0 -47.6 26.0 28.8 15.2 256 260 A N H > S+ 0 0 96 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.901 111.6 49.9 -62.9 -42.7 26.7 32.3 16.7 257 261 A T H > S+ 0 0 27 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.929 113.9 45.4 -60.2 -46.3 23.9 31.8 19.4 258 262 A L H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.876 112.2 51.4 -65.4 -43.0 25.4 28.4 20.3 259 263 A M H X S+ 0 0 2 -4,-2.7 4,-0.7 2,-0.2 -2,-0.2 0.942 113.2 44.5 -56.1 -51.6 29.0 29.7 20.4 260 264 A I H >X S+ 0 0 28 -4,-2.4 3,-0.9 1,-0.2 4,-0.6 0.898 112.4 52.2 -61.6 -45.6 28.0 32.6 22.7 261 265 A A H >< S+ 0 0 0 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.842 107.4 53.4 -56.5 -40.3 25.9 30.3 24.9 262 266 A L H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.620 89.3 76.8 -76.6 -13.5 28.8 27.9 25.3 263 267 A L H << S+ 0 0 59 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.901 105.8 35.0 -60.6 -41.8 31.3 30.6 26.5 264 268 A G T << S+ 0 0 45 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.014 103.2 106.1 -98.9 27.0 29.6 30.5 29.9 265 269 A A S < S- 0 0 13 -3,-1.4 -3,-0.1 1,-0.1 -29,-0.0 -0.754 76.6-100.8-107.6 150.0 29.0 26.7 29.8 266 270 A P >> - 0 0 37 0, 0.0 4,-1.8 0, 0.0 3,-0.7 -0.297 36.2-110.8 -63.3 157.4 30.7 23.9 31.6 267 271 A E H 3> S+ 0 0 110 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.823 115.3 55.3 -62.4 -37.1 33.4 21.9 29.7 268 272 A D H 3> S+ 0 0 79 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.810 108.7 48.1 -67.8 -30.2 31.3 18.7 29.6 269 273 A I H <> S+ 0 0 0 -3,-0.7 4,-1.4 2,-0.2 -2,-0.2 0.834 110.1 53.0 -77.3 -35.1 28.3 20.5 28.0 270 274 A K H >X S+ 0 0 45 -4,-1.8 4,-2.7 1,-0.2 3,-0.7 0.972 111.9 44.9 -57.5 -54.4 30.8 22.1 25.5 271 275 A Q H 3X S+ 0 0 94 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.764 104.3 64.4 -62.6 -27.5 32.1 18.7 24.6 272 276 A K H 3< S+ 0 0 38 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.891 113.1 33.2 -62.4 -40.8 28.5 17.4 24.4 273 277 A F H X< S+ 0 0 0 -4,-1.4 3,-1.4 -3,-0.7 4,-0.3 0.927 118.7 52.0 -78.3 -49.6 27.8 19.7 21.4 274 278 A L H >< S+ 0 0 10 -4,-2.7 3,-1.0 1,-0.3 -2,-0.2 0.815 104.1 57.1 -57.6 -36.7 31.3 19.6 19.9 275 279 A S T 3< S+ 0 0 76 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.1 0.609 104.6 53.5 -72.2 -15.0 31.4 15.7 19.8 276 280 A N T < S+ 0 0 34 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 0.393 97.6 77.7-100.5 -0.2 28.2 15.6 17.7 277 281 A M S < S- 0 0 36 -3,-1.0 2,-0.1 -4,-0.3 -30,-0.0 -0.456 94.3 -88.6 -92.4 175.1 29.5 18.0 15.0 278 282 A S > - 0 0 45 -2,-0.2 4,-3.0 1,-0.1 5,-0.3 -0.397 40.7-105.1 -77.5 162.8 31.9 17.0 12.2 279 283 A K H > S+ 0 0 181 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.905 121.7 41.3 -54.2 -47.7 35.7 17.2 12.8 280 284 A R H > S+ 0 0 192 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.855 115.4 49.0 -72.0 -39.6 36.0 20.3 10.6 281 285 A A H > S+ 0 0 40 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.901 114.7 46.2 -67.6 -41.3 32.8 22.0 11.9 282 286 A A H X S+ 0 0 13 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.912 113.6 48.7 -65.0 -45.0 33.9 21.4 15.5 283 287 A K H X S+ 0 0 120 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.928 114.4 44.8 -60.3 -49.2 37.4 22.6 14.9 284 288 A L H X S+ 0 0 83 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.812 110.4 56.6 -64.3 -32.2 36.2 25.8 13.1 285 289 A F H X S+ 0 0 6 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.919 108.3 45.4 -65.8 -48.0 33.6 26.3 16.0 286 290 A L H X S+ 0 0 79 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.860 114.1 50.3 -61.7 -40.1 36.2 26.3 18.7 287 291 A E H X S+ 0 0 105 -4,-1.7 4,-1.4 1,-0.2 3,-0.2 0.916 111.8 46.2 -66.0 -45.5 38.4 28.7 16.6 288 292 A D H X S+ 0 0 53 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.770 104.8 63.7 -67.0 -28.7 35.5 31.1 16.0 289 293 A M H < S+ 0 0 15 -4,-1.7 3,-0.5 1,-0.2 4,-0.4 0.877 106.2 43.0 -61.3 -41.6 34.7 30.9 19.8 290 294 A E H >< S+ 0 0 170 -4,-1.3 3,-0.9 -3,-0.2 -2,-0.2 0.832 106.4 65.2 -69.2 -33.2 38.1 32.5 20.6 291 295 A A H 3< S+ 0 0 76 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.683 87.3 71.0 -59.6 -25.0 37.5 34.9 17.7 292 296 A L T 3< S- 0 0 65 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.1 0.824 82.7-165.1 -64.7 -36.8 34.5 36.5 19.5 293 297 A G < + 0 0 42 -3,-0.9 2,-0.5 -4,-0.4 -1,-0.2 -0.377 52.7 1.3 78.3-159.3 36.6 38.3 22.2 294 298 A P S S- 0 0 143 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.477 70.0-173.9 -71.3 116.2 35.0 39.7 25.4 295 299 A V - 0 0 39 -2,-0.5 5,-0.1 -35,-0.1 -2,-0.1 -0.919 28.2-109.1-111.4 132.3 31.2 38.9 25.4 296 300 A K >> - 0 0 152 -2,-0.4 4,-1.8 1,-0.1 3,-0.5 -0.256 18.5-127.8 -57.9 144.7 28.9 40.3 28.1 297 301 A K H 3> S+ 0 0 167 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.856 111.1 59.6 -60.4 -39.1 27.5 37.9 30.7 298 302 A S H 3> S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.842 107.1 46.5 -57.6 -34.8 24.0 39.2 29.9 299 303 A E H <> S+ 0 0 93 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.831 110.2 51.3 -77.1 -37.7 24.5 38.1 26.2 300 304 A I H X S+ 0 0 24 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.907 112.2 48.8 -61.6 -44.4 25.9 34.7 27.2 301 305 A E H X S+ 0 0 104 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.909 110.1 51.2 -58.4 -46.5 22.7 34.3 29.4 302 306 A K H X S+ 0 0 93 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.888 111.2 46.7 -59.6 -46.5 20.5 35.4 26.5 303 307 A A H X S+ 0 0 4 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.877 110.2 54.9 -64.8 -38.7 22.0 32.9 24.1 304 308 A Q H X S+ 0 0 37 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.924 109.5 45.4 -60.4 -45.6 21.7 30.2 26.7 305 309 A R H X S+ 0 0 140 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.799 109.6 57.0 -67.8 -29.5 17.9 30.8 27.2 306 310 A Q H X S+ 0 0 70 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.896 107.1 47.4 -65.8 -42.5 17.5 30.9 23.4 307 311 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.902 112.5 50.8 -62.6 -41.4 19.0 27.4 23.1 308 312 A V H X S+ 0 0 14 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.876 106.2 54.1 -64.5 -40.2 16.7 26.3 26.0 309 313 A N H X S+ 0 0 83 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.890 111.9 45.7 -57.5 -43.8 13.6 27.8 24.1 310 314 A I H X S+ 0 0 39 -4,-1.7 4,-1.0 1,-0.2 3,-0.4 0.907 110.4 53.5 -64.7 -43.6 14.6 25.7 21.1 311 315 A I H X S+ 0 0 1 -4,-2.4 4,-1.6 1,-0.2 3,-0.4 0.852 101.1 60.7 -62.4 -35.2 15.1 22.6 23.4 312 316 A R H X S+ 0 0 49 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.855 100.0 54.4 -58.6 -43.7 11.6 23.0 24.9 313 317 A K H < S+ 0 0 128 -4,-1.0 4,-0.4 -3,-0.4 5,-0.3 0.816 104.7 54.9 -59.1 -32.7 10.0 22.5 21.4 314 318 A M H >< S+ 0 0 26 -4,-1.0 3,-0.6 -3,-0.4 -2,-0.2 0.892 108.9 47.4 -66.4 -41.3 12.0 19.2 21.1 315 319 A I H 3< S+ 0 0 67 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.844 113.2 48.9 -67.4 -33.3 10.4 18.1 24.4 316 320 A D T 3< S+ 0 0 128 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.514 133.6 9.1 -79.7 -8.7 7.0 19.2 23.0 317 321 A E S < S- 0 0 148 -3,-0.6 -3,-0.2 -4,-0.4 -2,-0.1 0.464 130.2 -4.3-132.0 -80.1 7.7 17.3 19.7 318 322 A G S S+ 0 0 61 -5,-0.3 2,-0.2 2,-0.1 -3,-0.1 0.960 97.6 77.8 -96.9 -67.1 10.6 14.8 19.2 319 323 A K S S- 0 0 12 -8,-0.1 -2,-0.2 -74,-0.1 2,-0.2 -0.335 71.9-135.6 -58.8 119.3 13.2 14.5 22.0 320 324 A I 0 0 157 -2,-0.2 -1,-0.1 1,-0.1 -5,-0.1 -0.488 360.0 360.0 -76.9 143.2 11.9 12.3 24.8 321 325 A E 0 0 104 -6,-0.2 -1,-0.1 -2,-0.2 -6,-0.0 -0.167 360.0 360.0-166.4 360.0 12.5 13.6 28.4