==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 15-JUN-09 3HUT . COMPND 2 MOLECULE: PUTATIVE BRANCHED-CHAIN AMINO ACID ABC . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOSPIRILLUM RUBRUM ATCC 11170; . AUTHOR L.SATYANARAYANA,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX . 346 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14633.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 5.8 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 . 3 0.9 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 . 26 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 1 0 1 1 1 0 2 2 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 0 2 0 2 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 2 2 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 1 0 1 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 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 -1 A L 0 0 162 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -41.4 7.5 18.2 33.4 2 40 A A - 0 0 33 1,-0.1 42,-0.2 42,-0.1 2,-0.1 -0.422 360.0-111.1 -67.0 139.4 6.1 16.0 30.5 3 41 A L E -a 44 0A 12 40,-2.3 42,-2.8 -2,-0.1 2,-0.4 -0.457 36.1-135.5 -69.2 145.1 8.7 13.8 28.9 4 42 A L E +ab 45 71A 20 66,-1.0 68,-2.4 40,-0.2 69,-0.6 -0.900 24.2 178.9-115.7 134.9 9.5 14.8 25.3 5 43 A L E -ab 46 73A 1 40,-1.9 42,-3.0 -2,-0.4 2,-0.3 -0.954 22.1-138.1-123.4 142.4 9.9 12.8 22.1 6 44 A G E -ab 47 74A 0 67,-2.9 69,-3.8 -2,-0.4 2,-0.3 -0.693 13.6-166.4 -98.5 155.8 10.6 14.5 18.8 7 45 A Y E -ab 48 75A 0 40,-2.3 42,-2.1 -2,-0.3 2,-0.5 -0.871 1.8-168.3-144.8 108.2 9.0 13.4 15.6 8 46 A E E +ab 49 76A 0 67,-1.9 69,-2.9 -2,-0.3 42,-0.2 -0.865 26.5 146.2 -97.8 129.6 10.3 14.5 12.2 9 47 A L E -a 50 0A 0 40,-2.2 42,-1.9 -2,-0.5 2,-0.7 -0.985 52.1 -91.2-157.8 157.2 7.9 13.8 9.3 10 48 A P + 0 0 0 0, 0.0 9,-0.9 0, 0.0 10,-0.3 -0.656 44.8 155.3 -80.8 112.6 6.8 15.3 6.0 11 49 A L S S+ 0 0 49 -2,-0.7 2,-0.3 8,-0.2 5,-0.1 0.385 70.6 40.7-111.6 -4.1 3.8 17.7 6.3 12 50 A T S S+ 0 0 59 3,-0.0 3,-0.3 4,-0.0 2,-0.1 -0.973 94.7 39.6-140.4 151.5 4.6 19.6 3.1 13 51 A G S > S- 0 0 57 -2,-0.3 3,-1.8 1,-0.2 4,-0.2 -0.435 107.0 -40.8 104.2-179.1 5.9 18.4 -0.2 14 52 A A T 3 S+ 0 0 106 1,-0.3 3,-0.3 38,-0.2 -1,-0.2 0.745 137.9 45.2 -57.2 -26.7 5.1 15.5 -2.5 15 53 A N T >> S+ 0 0 41 -3,-0.3 3,-1.1 1,-0.2 4,-1.0 0.111 73.4 115.9-107.7 22.0 5.0 13.1 0.5 16 54 A A H <> + 0 0 7 -3,-1.8 4,-2.1 1,-0.2 3,-0.3 0.829 67.3 66.6 -58.9 -34.9 2.9 15.2 2.9 17 55 A A H 3> S+ 0 0 48 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.825 99.2 52.3 -57.9 -32.0 0.1 12.7 2.9 18 56 A Y H <> S+ 0 0 77 -3,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.875 107.2 51.0 -72.9 -36.6 2.4 10.2 4.7 19 57 A G H X S+ 0 0 0 -4,-1.0 4,-2.0 -9,-0.9 -2,-0.2 0.875 107.9 55.2 -67.5 -35.3 3.2 12.7 7.4 20 58 A R H X S+ 0 0 135 -4,-2.1 4,-2.0 -10,-0.3 -2,-0.2 0.921 108.7 44.3 -64.8 -43.9 -0.4 13.3 7.9 21 59 A V H X S+ 0 0 26 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.785 110.0 58.0 -72.9 -23.9 -1.3 9.7 8.6 22 60 A F H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.921 109.3 44.6 -66.9 -44.2 1.7 9.4 10.8 23 61 A Q H X S+ 0 0 70 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.854 111.4 52.6 -69.3 -35.8 0.3 12.2 12.9 24 62 A E H X S+ 0 0 61 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.943 115.4 41.1 -65.0 -45.6 -3.2 10.7 12.9 25 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.906 113.0 54.3 -67.7 -42.9 -1.8 7.4 14.1 26 64 A A H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.923 106.1 52.5 -56.8 -47.8 0.6 9.0 16.6 27 65 A R H X S+ 0 0 142 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.901 108.9 49.6 -56.2 -45.9 -2.2 11.0 18.3 28 66 A L H X S+ 0 0 18 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.941 115.4 42.5 -60.8 -49.5 -4.3 7.9 18.8 29 67 A Q H X S+ 0 0 23 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.936 115.7 48.1 -63.2 -49.9 -1.4 5.9 20.4 30 68 A L H X S+ 0 0 12 -4,-3.1 4,-2.9 1,-0.2 5,-0.3 0.933 110.7 50.9 -59.1 -47.9 -0.1 8.8 22.5 31 69 A D H X S+ 0 0 56 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.920 112.4 46.9 -58.2 -42.7 -3.6 9.7 23.8 32 70 A R H X S+ 0 0 80 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.935 112.1 50.6 -63.8 -46.2 -4.1 6.0 24.8 33 71 A F H <>S+ 0 0 40 -4,-2.8 5,-1.8 1,-0.2 3,-0.4 0.945 114.2 42.5 -56.7 -53.1 -0.7 5.8 26.5 34 72 A N H ><5S+ 0 0 45 -4,-2.9 3,-1.6 1,-0.2 -1,-0.2 0.889 111.2 56.0 -63.2 -37.8 -1.2 8.9 28.5 35 73 A A H 3<5S+ 0 0 88 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.829 103.0 57.1 -62.3 -30.9 -4.7 7.9 29.4 36 74 A A T 3<5S- 0 0 90 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.535 137.7 -81.0 -77.9 -7.4 -3.3 4.7 30.7 37 75 A G T <>5 - 0 0 35 -3,-1.6 4,-2.4 -4,-0.3 -3,-0.2 0.491 53.6-127.0 120.7 7.5 -1.1 6.6 33.1 38 76 A G T 44 S-E 42 0B 3 3,-3.2 3,-1.9 1,-0.2 -1,-0.1 -0.835 130.6 -38.1-103.9 94.5 5.2 6.7 32.5 40 78 A G T 34 S- 0 0 82 -2,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.865 125.9 -42.4 57.3 35.9 4.5 6.0 36.1 41 79 A G T 3< S+ 0 0 60 -4,-2.4 -1,-0.3 1,-0.2 -3,-0.2 0.260 116.1 116.9 95.5 -13.1 2.1 8.9 36.1 42 80 A R B < -E 39 0B 76 -3,-1.9 -3,-3.2 -5,-0.2 -1,-0.2 -0.811 60.9-134.7 -93.7 118.4 4.3 11.2 34.1 43 81 A P - 0 0 51 0, 0.0 -40,-2.3 0, 0.0 2,-0.4 -0.167 10.0-138.2 -67.6 162.7 2.8 12.1 30.7 44 82 A V E -a 3 0A 2 -42,-0.2 2,-0.3 -14,-0.2 -40,-0.2 -0.966 16.3-169.0-123.4 139.3 4.6 12.1 27.4 45 83 A D E -a 4 0A 89 -42,-2.8 -40,-1.9 -2,-0.4 2,-0.5 -0.933 14.3-134.9-127.5 153.0 4.2 14.7 24.6 46 84 A I E -a 5 0A 9 -2,-0.3 2,-0.7 -42,-0.2 -40,-0.2 -0.920 4.9-154.2-113.0 131.7 5.5 14.7 21.1 47 85 A L E -a 6 0A 63 -42,-3.0 -40,-2.3 -2,-0.5 2,-0.2 -0.906 20.1-156.3-102.9 110.4 7.2 17.7 19.4 48 86 A Y E -a 7 0A 63 -2,-0.7 2,-0.4 -42,-0.2 -40,-0.2 -0.576 10.0-170.0 -87.6 151.4 6.6 17.4 15.6 49 87 A A E -a 8 0A 15 -42,-2.1 -40,-2.2 -2,-0.2 2,-0.9 -0.981 24.9-125.6-143.7 127.4 8.8 19.0 13.0 50 88 A D E +a 9 0A 50 -2,-0.4 -42,-0.1 -42,-0.2 11,-0.0 -0.623 26.7 178.0 -75.7 105.1 8.0 19.3 9.3 51 89 A S > - 0 0 0 -42,-1.9 3,-2.1 -2,-0.9 7,-0.3 0.649 27.3-145.4 -80.8 -16.5 11.0 17.7 7.5 52 90 A R T 3 - 0 0 108 -43,-0.6 -38,-0.2 1,-0.3 -37,-0.1 0.642 56.4 -82.7 59.2 15.4 9.4 18.3 4.0 53 91 A D T 3 S+ 0 0 50 1,-0.2 2,-0.5 -40,-0.1 -1,-0.3 0.887 97.3 139.3 55.0 38.4 11.1 15.0 3.1 54 92 A D <> - 0 0 59 -3,-2.1 4,-2.6 1,-0.1 -1,-0.2 -0.968 53.5-146.7-118.6 123.3 14.2 17.1 2.6 55 93 A A H > S+ 0 0 27 -2,-0.5 4,-1.8 1,-0.2 -1,-0.1 0.908 100.0 47.3 -53.5 -49.3 17.6 15.9 3.7 56 94 A D H > S+ 0 0 108 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.875 113.0 48.9 -63.4 -36.8 19.0 19.4 4.6 57 95 A Q H > S+ 0 0 47 -6,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.900 109.0 53.5 -68.7 -38.8 15.8 20.2 6.5 58 96 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -7,-0.3 -1,-0.2 0.846 105.8 55.3 -63.3 -34.6 16.0 16.9 8.3 59 97 A R H X S+ 0 0 107 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.910 108.9 44.0 -67.7 -42.1 19.6 17.8 9.3 60 98 A T H X S+ 0 0 49 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.877 113.2 53.4 -71.9 -31.0 18.7 21.1 10.9 61 99 A I H X S+ 0 0 21 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.934 108.6 49.7 -64.2 -44.6 15.8 19.4 12.6 62 100 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.891 109.4 50.4 -60.6 -43.1 18.1 16.7 14.0 63 101 A R H X S+ 0 0 134 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.919 110.5 52.1 -60.7 -43.8 20.5 19.3 15.4 64 102 A A H X S+ 0 0 37 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.908 110.4 45.4 -60.2 -47.1 17.5 21.1 17.0 65 103 A F H >< S+ 0 0 8 -4,-2.4 3,-0.8 1,-0.2 6,-0.3 0.893 112.7 51.7 -64.5 -40.4 16.3 17.9 18.8 66 104 A V H 3< S+ 0 0 21 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.901 108.0 52.6 -62.5 -40.4 19.8 17.1 19.9 67 105 A D H 3< S+ 0 0 126 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.598 93.3 80.2 -72.3 -13.6 20.2 20.6 21.3 68 106 A D X< - 0 0 26 -3,-0.8 3,-1.9 -4,-0.6 -1,-0.1 -0.829 67.8-160.1 -98.7 101.2 17.0 20.3 23.4 69 107 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.671 86.8 65.8 -53.0 -19.4 17.9 18.3 26.5 70 108 A R T 3 S+ 0 0 136 -67,-0.1 -66,-1.0 -3,-0.1 2,-0.8 0.816 80.3 87.7 -75.2 -28.6 14.2 17.5 27.0 71 109 A V E < +b 4 0A 0 -3,-1.9 -66,-0.2 -6,-0.3 229,-0.1 -0.602 49.4 171.0 -74.5 110.1 14.0 15.4 23.8 72 110 A V E + 0 0 13 -68,-2.4 2,-0.3 -2,-0.8 -1,-0.2 0.581 64.5 9.0 -97.1 -11.4 15.0 11.9 24.9 73 111 A G E -b 5 0A 0 -69,-0.6 -67,-2.9 22,-0.1 2,-0.4 -0.983 64.4-136.1-162.4 156.9 14.2 10.1 21.6 74 112 A V E -bc 6 97A 0 22,-2.4 24,-2.4 -2,-0.3 2,-0.5 -0.982 6.8-148.1-126.9 128.1 13.1 10.9 18.1 75 113 A L E -bc 7 98A 0 -69,-3.8 -67,-1.9 -2,-0.4 2,-0.5 -0.796 41.5-141.0 -84.8 130.8 10.4 9.2 16.0 76 114 A G E -b 8 0A 0 22,-2.9 26,-0.2 -2,-0.5 -67,-0.1 -0.621 12.3 -73.0-136.2 103.4 11.9 9.5 12.6 77 115 A D - 0 0 0 -69,-2.9 24,-0.6 -2,-0.5 25,-0.4 0.748 30.0-110.3 49.7 144.4 10.9 10.2 9.1 78 116 A F S S+ 0 0 27 23,-0.1 2,-0.1 22,-0.1 -1,-0.1 0.932 89.0 55.4 -61.3 -62.9 9.2 8.7 6.2 79 117 A S S > S- 0 0 22 1,-0.1 4,-2.3 23,-0.1 23,-0.2 -0.466 73.2-130.9 -82.9 154.8 11.8 8.1 3.6 80 118 A S H > S+ 0 0 28 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.929 107.7 54.7 -66.3 -44.5 15.0 6.0 4.0 81 119 A T H > S+ 0 0 106 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.913 113.9 38.8 -55.6 -48.5 17.1 8.8 2.5 82 120 A V H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.884 113.9 54.9 -72.3 -37.7 15.9 11.5 4.9 83 121 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.893 111.2 46.2 -62.0 -37.5 15.9 9.1 7.8 84 122 A X H X S+ 0 0 52 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.894 107.2 56.3 -72.2 -40.3 19.5 8.3 7.1 85 123 A A H X S+ 0 0 11 -4,-1.9 4,-0.7 -5,-0.2 -2,-0.2 0.943 117.8 34.8 -56.0 -48.9 20.5 12.0 6.6 86 124 A A H >X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 3,-0.7 0.864 111.6 65.0 -73.4 -34.8 19.2 12.8 10.1 87 125 A G H 3X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.3 5,-0.2 0.851 92.9 60.1 -55.9 -38.2 20.3 9.4 11.4 88 126 A S H 3X S+ 0 0 75 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.885 109.3 43.9 -58.4 -39.6 24.0 10.2 10.8 89 127 A I H S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 4,-1.8 0.897 110.5 51.2 -57.2 -42.3 21.6 11.2 15.8 91 129 A G H <5S+ 0 0 13 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.931 113.6 43.9 -61.8 -46.1 24.1 8.3 15.8 92 130 A K H <5S+ 0 0 178 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.866 119.2 43.5 -66.7 -36.4 27.0 10.7 16.4 93 131 A E H <5S- 0 0 97 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.617 113.0-112.9 -86.9 -13.7 25.1 12.6 19.1 94 132 A G T <5 + 0 0 11 -4,-1.8 -3,-0.2 1,-0.3 -4,-0.1 0.912 63.3 144.8 83.4 44.7 23.7 9.6 20.9 95 133 A X < - 0 0 0 -5,-2.4 -1,-0.3 -8,-0.1 2,-0.2 -0.972 48.4-127.5-117.0 122.7 20.0 10.1 20.2 96 134 A P - 0 0 0 0, 0.0 -22,-2.4 0, 0.0 2,-0.4 -0.523 28.1-163.4 -71.1 133.7 17.8 7.0 19.7 97 135 A Q E -cd 74 114A 0 16,-2.8 18,-1.7 -2,-0.2 2,-0.5 -0.970 13.1-171.1-123.6 131.0 15.8 7.1 16.4 98 136 A L E -cd 75 115A 0 -24,-2.4 -22,-2.9 -2,-0.4 18,-0.2 -0.923 6.3-167.3-123.4 106.1 12.8 5.0 15.5 99 137 A S E - d 0 116A 0 16,-2.6 18,-2.4 -2,-0.5 19,-0.5 -0.781 11.8-154.5 -90.5 129.2 11.7 5.3 11.9 100 138 A P S S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 0.847 90.4 14.0 -72.8 -25.8 8.3 3.8 11.2 101 139 A T S S+ 0 0 12 -24,-0.6 2,-1.3 16,-0.1 -21,-0.2 0.450 78.5 124.3-130.5 -0.1 9.0 3.2 7.5 102 140 A A + 0 0 0 -25,-0.4 -3,-0.1 -23,-0.2 16,-0.1 -0.503 29.6 164.8 -66.9 98.6 12.7 3.5 6.6 103 141 A A + 0 0 18 -2,-1.3 -1,-0.2 4,-0.1 -24,-0.1 0.481 24.8 121.7 -97.1 -5.3 13.1 0.1 5.0 104 142 A H >> - 0 0 76 1,-0.1 3,-1.6 16,-0.1 4,-0.7 -0.379 66.6-128.6 -63.7 132.0 16.4 0.4 3.2 105 143 A P G >4 S+ 0 0 57 0, 0.0 3,-0.6 0, 0.0 4,-0.5 0.862 105.5 55.9 -45.9 -44.1 19.0 -2.2 4.3 106 144 A D G 34 S+ 0 0 81 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.691 90.0 73.2 -66.8 -21.9 21.6 0.6 4.9 107 145 A Y G X4 S+ 0 0 0 -3,-1.6 3,-1.2 1,-0.2 4,-0.3 0.918 96.2 49.3 -60.1 -43.9 19.5 2.6 7.3 108 146 A I T << S+ 0 0 6 -4,-0.7 3,-0.3 -3,-0.6 6,-0.3 0.736 105.5 60.9 -68.1 -21.0 19.9 0.1 10.2 109 147 A K T 3 S+ 0 0 150 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.2 0.538 76.9 90.9 -84.2 -8.0 23.7 0.1 9.5 110 148 A I S < S- 0 0 47 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.1 0.925 104.6 -45.6 -52.8 -51.3 24.2 3.8 10.2 111 149 A S > - 0 0 20 -3,-0.3 3,-1.3 -4,-0.3 -1,-0.2 -0.964 61.9 -81.5-169.9 175.9 24.9 3.3 14.0 112 150 A P T 3 S+ 0 0 70 0, 0.0 -3,-0.1 0, 0.0 -2,-0.0 0.447 117.1 70.1 -72.7 3.9 23.7 1.5 17.1 113 151 A W T 3 S+ 0 0 47 -26,-0.1 -16,-2.8 -17,-0.1 2,-0.3 0.520 76.4 94.5-100.2 -5.0 21.1 4.2 17.5 114 152 A Q E < +d 97 0A 0 -3,-1.3 2,-0.3 -6,-0.3 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-4,-1.7 3,-1.6 -5,-0.3 -3,-0.2 0.716 77.7 174.0 -99.4 -23.5 -7.9 -9.3 -11.4 237 275 A G G >< S- 0 0 23 -4,-2.8 3,-2.2 1,-0.3 4,-0.3 -0.162 73.2 -1.4 51.7-141.2 -11.4 -10.5 -10.6 238 276 A P G > S+ 0 0 122 0, 0.0 3,-1.5 0, 0.0 -1,-0.3 0.784 126.6 70.1 -47.8 -33.5 -11.9 -14.3 -10.9 239 277 A A G < S+ 0 0 14 -3,-1.6 -2,-0.2 1,-0.3 -26,-0.1 0.720 96.6 50.2 -62.3 -22.4 -8.2 -14.7 -12.0 240 278 A V G X S+ 0 0 0 -3,-2.2 3,-1.9 -7,-0.2 98,-0.3 0.450 78.1 122.5 -97.5 1.3 -6.8 -13.8 -8.6 241 279 A E T < S+ 0 0 54 -3,-1.5 98,-0.2 -4,-0.3 3,-0.1 -0.397 78.1 20.8 -62.0 134.2 -9.0 -16.2 -6.6 242 280 A G T 3 S+ 0 0 17 96,-3.6 -21,-0.3 1,-0.3 -1,-0.3 0.304 85.2 142.0 90.9 -11.3 -6.8 -18.6 -4.6 243 281 A V < - 0 0 1 -3,-1.9 95,-2.0 95,-0.1 2,-0.3 -0.424 38.1-149.9 -66.3 137.5 -3.7 -16.4 -4.7 244 282 A R E +iJ 222 337C 82 -23,-2.7 -21,-2.1 93,-0.2 2,-0.3 -0.860 24.5 155.2-112.5 147.2 -1.8 -16.5 -1.4 245 283 A L E -iJ 223 336C 1 91,-1.7 91,-3.2 -2,-0.3 2,-0.4 -0.980 29.6-134.4-161.7 158.7 0.3 -13.9 0.3 246 284 A A E + J 0 335C 1 -23,-0.6 2,-0.3 -2,-0.3 89,-0.2 -0.924 25.6 172.4-119.8 146.5 1.6 -12.8 3.7 247 285 A T E - J 0 334C 19 87,-1.6 87,-2.5 -2,-0.4 3,-0.1 -0.978 35.0-130.9-149.9 159.6 1.6 -9.2 5.1 248 286 A A S S+ 0 0 15 -2,-0.3 2,-0.5 85,-0.2 -1,-0.2 0.980 95.0 43.2 -75.2 -62.2 2.3 -7.4 8.3 249 287 A F - 0 0 8 68,-0.1 2,-0.6 69,-0.0 -1,-0.2 -0.760 68.7-167.5 -90.9 124.8 -0.8 -5.2 8.6 250 288 A V > - 0 0 7 66,-0.6 3,-1.2 -2,-0.5 68,-0.1 -0.935 7.3-167.2-115.6 111.7 -4.1 -6.9 7.8 251 289 A L T 3 S+ 0 0 55 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.938 90.4 44.3 -61.5 -49.8 -7.0 -4.5 7.4 252 290 A G T 3 S+ 0 0 63 91,-0.0 -1,-0.3 10,-0.0 93,-0.2 -0.131 88.1 146.8 -89.4 39.4 -9.7 -7.1 7.5 253 291 A A < - 0 0 14 -3,-1.2 -4,-0.0 -2,-0.3 -2,-0.0 -0.199 42.4-159.7 -69.9 164.4 -8.1 -8.9 10.5 254 292 A S + 0 0 106 4,-0.0 -1,-0.1 5,-0.0 -3,-0.0 0.395 58.1 115.0-121.6 -8.1 -10.1 -10.7 13.1 255 293 A D S >> S- 0 0 89 1,-0.2 3,-1.7 2,-0.0 4,-1.4 -0.558 72.1-131.7 -66.8 114.5 -7.2 -10.6 15.7 256 294 A P H 3> S+ 0 0 107 0, 0.0 4,-1.3 0, 0.0 5,-0.2 0.738 102.4 58.4 -37.3 -40.4 -8.6 -8.4 18.5 257 295 A V H 3> S+ 0 0 72 1,-0.2 4,-0.8 2,-0.2 59,-0.1 0.891 109.4 43.0 -63.6 -40.1 -5.5 -6.3 18.6 258 296 A V H X> S+ 0 0 13 -3,-1.7 4,-2.4 2,-0.2 3,-0.7 0.949 111.6 48.1 -74.1 -51.6 -5.7 -5.2 15.0 259 297 A V H 3X S+ 0 0 59 -4,-1.4 4,-3.8 1,-0.2 5,-0.3 0.800 103.9 62.6 -62.8 -28.8 -9.4 -4.4 14.5 260 298 A E H 3X S+ 0 0 115 -4,-1.3 4,-2.3 -5,-0.3 -1,-0.2 0.891 109.7 41.0 -63.0 -38.4 -9.4 -2.3 17.7 261 299 A F H - 0 0 55 -2,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.410 28.8 -99.6 -94.3 175.9 -3.1 2.5 5.4 275 313 A L H > S+ 0 0 81 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.845 126.1 53.5 -65.1 -31.9 -0.0 0.3 6.0 276 314 A F H > S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.912 107.8 49.2 -69.0 -40.7 2.0 3.5 6.6 277 315 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.908 111.6 50.8 -63.3 -40.1 -0.5 4.7 9.3 278 316 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 38,-0.3 0.906 111.1 45.8 -65.0 -43.9 -0.3 1.2 10.9 279 317 A H H X S+ 0 0 10 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.845 112.2 52.5 -68.9 -31.3 3.5 1.3 11.0 280 318 A G H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.878 108.7 51.3 -69.5 -36.2 3.4 4.8 12.4 281 319 A Y H X S+ 0 0 12 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.952 114.0 42.5 -63.7 -50.4 1.0 3.6 15.0 282 320 A D H X S+ 0 0 1 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.854 109.3 58.6 -65.9 -35.8 3.3 0.7 16.0 283 321 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.956 109.6 43.4 -59.2 -49.8 6.4 3.0 15.9 284 322 A V H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.926 115.6 49.1 -61.3 -45.3 4.9 5.3 18.4 285 323 A G H X S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.889 110.1 50.5 -62.2 -40.6 3.7 2.4 20.6 286 324 A I H X S+ 0 0 1 -4,-3.2 4,-1.8 2,-0.2 -1,-0.2 0.926 113.1 47.0 -62.7 -44.0 7.1 0.7 20.4 287 325 A X H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.941 112.7 48.0 -62.6 -49.8 8.8 3.9 21.5 288 326 A L H X S+ 0 0 2 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.887 109.5 52.3 -61.0 -41.1 6.4 4.6 24.3 289 327 A A H X S+ 0 0 32 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.918 110.3 49.8 -61.9 -40.6 6.6 1.1 25.7 290 328 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.910 110.8 48.4 -63.9 -42.7 10.4 1.5 25.7 291 329 A V H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.916 108.3 56.6 -63.0 -41.0 10.1 4.8 27.6 292 330 A G H < S+ 0 0 35 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.900 109.8 43.6 -56.6 -43.0 7.8 3.1 30.0 293 331 A R H < S+ 0 0 135 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.864 111.9 53.4 -71.8 -34.9 10.4 0.5 30.8 294 332 A A H < S- 0 0 29 -4,-2.3 3,-0.3 -5,-0.2 -2,-0.2 0.818 104.3-152.3 -68.5 -30.3 13.1 3.2 31.0 295 333 A G >< - 0 0 12 -4,-2.3 3,-1.6 1,-0.2 -1,-0.1 -0.143 34.4 -46.9 86.6 177.5 11.0 5.1 33.5 296 334 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.778 134.4 53.9 -56.0 -33.4 10.6 8.8 34.5 297 335 A E T 3 S+ 0 0 187 -3,-0.3 -2,-0.1 2,-0.0 -3,-0.0 0.092 82.3 152.4 -92.6 23.5 14.3 9.3 34.7 298 336 A V < - 0 0 11 -3,-1.6 2,-0.3 -7,-0.1 -3,-0.1 -0.181 24.9-165.5 -55.3 142.3 14.8 8.0 31.2 299 337 A T > - 0 0 59 1,-0.1 4,-2.7 -227,-0.0 5,-0.2 -0.805 37.0-103.4-123.9 168.2 17.9 9.2 29.3 300 338 A R H > S+ 0 0 38 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.905 123.5 48.0 -57.5 -41.2 18.8 9.0 25.6 301 339 A E H > S+ 0 0 103 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.908 113.2 44.6 -67.1 -46.5 21.2 6.2 26.4 302 340 A S H > S+ 0 0 40 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.838 112.2 53.9 -69.3 -31.3 18.8 4.2 28.6 303 341 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.857 104.3 55.0 -70.5 -34.2 16.1 4.7 26.0 304 342 A R H X S+ 0 0 45 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.918 109.9 46.9 -64.2 -41.9 18.4 3.3 23.3 305 343 A D H X S+ 0 0 94 -4,-1.6 4,-1.0 2,-0.2 -2,-0.2 0.928 112.8 48.6 -64.4 -45.8 18.9 0.1 25.3 306 344 A A H < S+ 0 0 12 -4,-2.2 3,-0.3 2,-0.2 4,-0.3 0.888 110.6 50.8 -62.3 -41.0 15.1 -0.2 26.0 307 345 A L H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.936 108.5 52.1 -61.3 -46.1 14.3 0.2 22.4 308 346 A A H 3< S+ 0 0 21 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.728 99.7 66.1 -61.7 -23.0 16.8 -2.4 21.4 309 347 A A T 3< + 0 0 58 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.575 67.8 125.9 -76.4 -10.8 15.1 -4.7 24.0 310 348 A T < + 0 0 7 -3,-1.8 12,-2.7 -4,-0.3 -3,-0.0 -0.304 23.6 146.1 -51.3 118.0 11.9 -4.8 21.9 311 349 A D + 0 0 91 10,-0.3 -1,-0.2 -2,-0.1 -2,-0.0 0.657 67.3 16.3-130.1 -31.0 11.4 -8.5 21.4 312 350 A R S S+ 0 0 161 9,-0.1 2,-0.3 7,-0.0 9,-0.2 -0.200 71.1 169.9-145.1 43.9 7.7 -9.5 21.3 313 351 A Y E -L 320 0D 52 7,-2.3 7,-2.7 1,-0.1 2,-1.8 -0.451 31.4-139.5 -65.2 123.6 5.8 -6.2 20.7 314 352 A A E +L 319 0D 55 -2,-0.3 5,-0.2 5,-0.2 -1,-0.1 -0.525 40.4 167.7 -84.4 73.9 2.1 -7.0 19.9 315 353 A G E > -L 318 0D 6 -2,-1.8 3,-1.3 3,-1.1 -57,-0.1 -0.321 52.3-115.4 -86.2 169.8 1.7 -4.5 17.1 316 354 A V T 3 S+ 0 0 3 -38,-0.3 -66,-0.6 1,-0.3 3,-0.1 0.620 120.7 57.0 -76.0 -11.5 -1.1 -4.0 14.6 317 355 A T T 3 S- 0 0 0 1,-0.4 -1,-0.3 -39,-0.2 2,-0.1 0.230 127.1 -87.6-100.2 11.0 1.5 -4.9 12.0 318 356 A G E < -L 315 0D 13 -3,-1.3 -3,-1.1 13,-0.1 -1,-0.4 -0.283 66.1 -35.1 107.7 167.5 2.2 -8.2 13.8 319 357 A I E S-L 314 0D 51 13,-0.5 13,-1.7 -5,-0.2 2,-0.4 -0.498 70.4-156.0 -64.0 121.1 4.4 -9.5 16.6 320 358 A T E +LM 313 331D 1 -7,-2.7 -7,-2.3 -2,-0.3 2,-0.3 -0.872 18.4 179.7-113.6 137.8 7.6 -7.4 16.3 321 359 A R E - M 0 330D 90 9,-2.3 9,-2.2 -2,-0.4 2,-0.5 -0.975 18.8-147.1-133.0 141.6 11.2 -8.1 17.4 322 360 A F E - M 0 329D 2 -12,-2.7 7,-0.2 -2,-0.3 6,-0.2 -0.957 37.0-110.0-109.5 122.0 14.4 -6.1 17.1 323 361 A D > - 0 0 42 5,-2.8 4,-1.8 -2,-0.5 -13,-0.1 -0.238 17.9-137.8 -52.4 129.0 17.5 -8.4 16.7 324 362 A P T 4 S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -16,-0.0 0.755 101.6 33.4 -61.5 -24.7 19.7 -8.3 19.8 325 363 A E T 4 S+ 0 0 172 3,-0.1 -2,-0.0 0, 0.0 -3,-0.0 0.896 135.5 18.4 -95.9 -54.5 22.8 -8.1 17.7 326 364 A T T 4 S- 0 0 62 2,-0.1 3,-0.1 1,-0.0 -3,-0.0 0.646 86.2-131.9 -94.1 -17.7 21.8 -6.2 14.5 327 365 A R < + 0 0 32 -4,-1.8 -211,-0.4 1,-0.3 2,-0.1 0.511 53.4 154.2 75.3 5.3 18.7 -4.4 15.7 328 366 A E - 0 0 39 -6,-0.2 -5,-2.8 -213,-0.1 2,-0.4 -0.398 44.6-116.8 -67.3 143.1 17.1 -5.6 12.4 329 367 A T E +M 322 0D 1 -211,-0.3 -209,-0.4 -7,-0.2 2,-0.3 -0.661 33.7 176.3 -88.2 131.8 13.3 -5.9 12.5 330 368 A T E -M 321 0D 48 -9,-2.2 -9,-2.3 -2,-0.4 2,-0.3 -0.940 7.6-170.3-128.3 151.7 11.5 -9.2 12.1 331 369 A K E -M 320 0D 12 -2,-0.3 2,-1.0 -11,-0.2 -11,-0.2 -0.974 32.2-114.4-143.3 156.5 7.8 -9.9 12.4 332 370 A I - 0 0 107 -13,-1.7 -13,-0.5 -2,-0.3 -85,-0.0 -0.812 45.3-152.3 -90.5 102.4 5.3 -12.7 12.5 333 371 A L - 0 0 26 -2,-1.0 2,-0.5 -15,-0.1 -85,-0.2 -0.265 9.7-119.7 -74.2 162.5 3.4 -12.1 9.2 334 372 A T E -J 247 0C 43 -87,-2.5 -87,-1.6 12,-0.0 2,-0.4 -0.921 21.9-137.0-108.4 122.8 -0.2 -13.1 8.6 335 373 A R E -J 246 0C 106 -2,-0.5 11,-2.3 -89,-0.2 2,-0.3 -0.627 28.0-179.2 -81.6 132.5 -0.9 -15.5 5.8 336 374 A L E -JK 245 345C 1 -91,-3.2 -91,-1.7 -2,-0.4 2,-0.3 -0.835 17.2-160.2-128.8 163.9 -3.9 -14.7 3.5 337 375 A V E -JK 244 344C 19 7,-1.6 7,-3.0 -2,-0.3 2,-0.7 -0.990 26.4-119.8-142.9 143.2 -5.7 -16.2 0.6 338 376 A V E + K 0 343C 0 -95,-2.0 -96,-3.6 -2,-0.3 2,-0.4 -0.774 45.0 162.2 -85.0 117.9 -8.0 -14.5 -1.9 339 377 A R E > - K 0 342C 112 3,-2.5 3,-0.7 -2,-0.7 -2,-0.1 -0.980 60.3 -8.9-143.2 129.0 -11.4 -16.2 -1.7 340 378 A E T 3 S- 0 0 160 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.900 129.7 -47.1 53.9 46.9 -14.8 -14.9 -2.9 341 379 A G T 3 S+ 0 0 42 1,-0.1 2,-0.3 -104,-0.1 -1,-0.2 0.628 121.6 67.7 77.0 15.4 -13.6 -11.4 -3.7 342 380 A D E < S-K 339 0C 89 -3,-0.7 -3,-2.5 -5,-0.1 2,-0.3 -0.988 85.4 -91.2-159.1 161.4 -11.6 -10.5 -0.6 343 381 A F E -K 338 0C 22 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.620 42.2-159.3 -77.8 131.8 -8.5 -11.4 1.4 344 382 A R E -K 337 0C 93 -7,-3.0 -7,-1.6 -2,-0.3 2,-0.6 -0.924 20.4-120.8-117.0 137.0 -9.1 -14.1 4.0 345 383 A V E K 336 0C 77 -2,-0.4 -9,-0.2 -93,-0.2 -10,-0.0 -0.647 360.0 360.0 -74.8 119.4 -7.0 -14.9 7.1 346 384 A I 0 0 116 -11,-2.3 -1,-0.2 -2,-0.6 -10,-0.1 0.938 360.0 360.0 -67.1 360.0 -5.9 -18.5 6.6