==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 24-SEP-09 3K0I . COMPND 2 MOLECULE: CATION EFFLUX SYSTEM PROTEIN CUSA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.-C.SU . 1015 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48114.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 773 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 12.2 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 82 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 421 41.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 2 5 1 3 4 4 1 1 1 3 2 2 0 1 0 1 0 2 0 0 1 1 1 0 0 1 2 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 2 1 4 6 4 1 3 1 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 . 4 1 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 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 I > 0 0 154 0, 0.0 3,-0.9 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -35.0 2.8 11.1 34.6 2 6 A I G > + 0 0 20 1,-0.2 3,-1.9 2,-0.1 4,-0.2 0.849 360.0 73.0 -61.9 -37.4 0.5 14.0 35.6 3 7 A R G >> S+ 0 0 141 1,-0.3 3,-2.2 2,-0.2 4,-0.8 0.711 75.8 77.7 -57.7 -24.8 -1.9 13.4 32.7 4 8 A R G <4 S+ 0 0 172 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.555 92.3 56.4 -63.4 -3.9 -3.4 10.2 34.1 5 9 A S G <4 S+ 0 0 26 -3,-1.9 7,-0.3 1,-0.1 3,-0.3 0.491 95.4 62.9-104.2 -7.3 -5.4 12.5 36.4 6 10 A V T X4 S+ 0 0 37 -3,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.703 83.5 73.3 -92.5 -22.1 -7.1 14.5 33.6 7 11 A A T 3< S+ 0 0 77 -4,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.537 113.5 31.4 -66.5 -3.9 -9.0 11.7 32.0 8 12 A N T >> + 0 0 40 -3,-0.3 3,-1.0 1,-0.1 4,-1.0 -0.365 65.5 161.0-152.5 62.6 -11.1 12.0 35.1 9 13 A R H <> S+ 0 0 151 -3,-1.0 4,-1.4 1,-0.3 5,-0.1 0.792 79.2 63.6 -55.5 -29.3 -11.2 15.6 36.3 10 14 A F H 3> S+ 0 0 114 1,-0.2 4,-3.3 2,-0.2 5,-0.4 0.908 94.2 61.3 -61.4 -41.8 -14.3 14.6 38.3 11 15 A L H <> S+ 0 0 84 -3,-1.0 4,-3.7 1,-0.2 5,-0.2 0.925 104.6 44.6 -50.7 -56.2 -12.2 12.2 40.4 12 16 A V H X S+ 0 0 15 -4,-1.0 4,-3.0 -7,-0.3 -1,-0.2 0.832 115.9 48.7 -63.7 -33.4 -9.9 14.8 41.9 13 17 A L H X S+ 0 0 78 -4,-1.4 4,-3.0 2,-0.3 5,-0.3 0.949 114.8 42.5 -70.0 -51.9 -12.8 17.2 42.6 14 18 A M H X S+ 0 0 73 -4,-3.3 4,-1.6 2,-0.2 -2,-0.2 0.919 117.7 48.8 -59.2 -41.7 -14.9 14.5 44.2 15 19 A G H >X S+ 0 0 18 -4,-3.7 4,-1.6 -5,-0.4 3,-0.5 0.960 109.9 53.8 -54.0 -50.2 -11.7 13.5 45.9 16 20 A A H 3X S+ 0 0 15 -4,-3.0 4,-1.1 1,-0.3 -2,-0.2 0.860 108.0 46.4 -56.6 -43.3 -11.3 17.2 46.7 17 21 A L H 3X S+ 0 0 81 -4,-3.0 4,-2.6 2,-0.3 5,-0.4 0.728 101.9 64.7 -76.6 -19.6 -14.7 17.5 48.4 18 22 A F H - 0 0 19 30,-0.2 4,-4.1 -2,-0.2 5,-0.2 -0.921 32.8 -98.3-177.2 154.2 12.3 21.1 108.9 54 58 A P H > S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 5,-0.5 0.792 119.3 53.6 -51.4 -44.6 14.5 20.1 105.9 55 59 A Q H > S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.951 121.5 33.3 -56.5 -46.6 16.8 17.9 107.9 56 60 A I H > S+ 0 0 42 -3,-0.2 4,-3.0 2,-0.2 5,-0.4 0.840 115.3 55.3 -83.2 -34.7 13.8 16.0 109.1 57 61 A V H X>S+ 0 0 1 -4,-4.1 5,-1.9 2,-0.2 4,-1.5 0.903 118.8 35.5 -67.3 -40.3 11.6 16.3 106.0 58 62 A E H <>S+ 0 0 5 -4,-2.0 5,-1.9 -5,-0.2 -2,-0.2 0.954 121.4 46.3 -71.5 -54.3 14.3 14.8 103.9 59 63 A N H <5S+ 0 0 97 -4,-2.2 -2,-0.2 -5,-0.5 -3,-0.2 0.899 121.3 38.3 -54.2 -43.1 15.6 12.4 106.5 60 64 A Q H <5S- 0 0 86 -4,-3.0 -1,-0.2 -5,-0.1 -3,-0.2 0.895 136.3 -3.3 -78.8 -45.2 12.1 11.2 107.5 61 65 A V T X5S+ 0 0 0 -4,-1.5 4,-1.8 -5,-0.4 -3,-0.2 0.789 123.6 51.5-119.8 -60.7 10.2 11.1 104.2 62 66 A T H > S+ 0 0 27 0, 0.0 4,-0.9 0, 0.0 -2,-0.2 0.821 120.6 46.7 -53.4 -30.1 12.4 6.9 101.8 65 69 A L H X S+ 0 0 0 -4,-1.8 4,-0.7 -7,-0.2 -2,-0.2 0.869 114.2 40.2 -88.0 -40.8 10.9 8.4 98.6 66 70 A T H X S+ 0 0 0 -4,-2.5 4,-0.9 -5,-0.2 -3,-0.2 0.899 114.3 54.2 -72.9 -40.4 13.9 9.3 96.5 67 71 A T H >< S+ 0 0 69 -4,-2.1 3,-0.5 -5,-0.3 4,-0.4 0.875 106.0 47.9 -67.4 -42.1 15.9 6.1 97.3 68 72 A T H >< S+ 0 0 27 -4,-0.9 3,-0.8 -5,-0.3 4,-0.3 0.841 108.7 61.5 -63.2 -28.0 13.3 3.5 96.4 69 73 A M H >< S+ 0 0 0 -4,-0.7 3,-1.0 1,-0.2 -1,-0.2 0.716 80.6 75.8 -77.2 -25.4 12.8 5.5 93.1 70 74 A L T << S+ 0 0 74 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.1 0.834 96.3 53.8 -52.4 -31.4 16.4 5.1 91.7 71 75 A S T < S+ 0 0 81 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.688 80.5 105.0 -84.9 -21.4 15.5 1.6 90.8 72 76 A V S X S- 0 0 3 -3,-1.0 3,-1.4 -4,-0.3 34,-0.1 -0.382 81.8 -97.0 -65.1 135.9 12.3 2.1 88.8 73 77 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.080 103.1 21.5 -48.7 146.1 12.7 1.7 85.0 74 78 A G T 3 S+ 0 0 43 1,-0.2 2,-0.5 -3,-0.1 20,-0.2 0.308 79.7 147.7 80.7 -9.2 13.1 4.8 82.8 75 79 A A < + 0 0 33 -3,-1.4 -1,-0.2 1,-0.2 18,-0.2 -0.476 15.1 167.8 -68.4 114.2 14.4 7.0 85.7 76 80 A K S S+ 0 0 105 16,-2.5 2,-0.4 -2,-0.5 -1,-0.2 0.896 72.3 6.1 -88.3 -53.9 16.9 9.5 84.3 77 81 A T - 0 0 17 15,-0.5 15,-1.3 2,-0.1 2,-0.5 -0.998 52.0-162.0-132.0 138.7 17.1 11.7 87.4 78 82 A V E +D 91 0B 2 -2,-0.4 717,-2.6 13,-0.2 718,-0.7 -0.666 40.1 151.0-111.2 70.9 15.5 11.3 90.9 79 83 A R E +DE 90 794B 9 11,-1.0 11,-2.7 -2,-0.5 2,-0.3 -0.792 15.6 167.6-103.6 146.5 15.9 15.0 91.9 80 84 A G E -DE 89 793B 0 713,-1.1 713,-1.0 -2,-0.3 2,-0.5 -0.999 35.9-116.6-158.3 153.9 13.5 16.7 94.4 81 85 A F E -DE 88 792B 32 7,-1.3 7,-1.5 -2,-0.3 2,-0.4 -0.806 28.7-174.2 -90.1 131.5 12.8 19.6 96.6 82 86 A S E +DE 87 791B 0 709,-1.6 709,-2.3 -2,-0.5 2,-0.3 -0.996 21.3 140.3-125.7 136.3 12.6 18.9 100.3 83 87 A Q E - E 0 790B 6 3,-2.0 2,-0.3 -2,-0.4 -30,-0.2 -0.907 55.0 -39.1-159.7 176.5 11.5 21.7 102.7 84 88 A F S S- 0 0 107 705,-0.5 2,-0.8 -2,-0.3 705,-0.0 -0.371 124.0 -7.8 -51.7 111.0 9.6 22.9 105.7 85 89 A G S S+ 0 0 2 -2,-0.3 -36,-2.8 -37,-0.0 2,-0.3 -0.405 125.8 50.3 101.3 -58.4 6.4 21.0 105.5 86 90 A D B -G 48 0C 14 -2,-0.8 -3,-2.0 -38,-0.2 2,-0.4 -0.819 54.5-153.4-125.9 158.8 6.5 19.2 102.1 87 91 A S E - D 0 82B 0 -40,-1.1 2,-0.4 -2,-0.3 -40,-0.3 -0.853 14.2-171.5-133.0 98.1 8.7 17.0 100.0 88 92 A Y E - D 0 81B 2 -7,-1.5 -7,-1.3 -2,-0.4 2,-0.5 -0.750 2.2-170.0 -91.5 130.7 8.3 17.1 96.2 89 93 A V E -BD 45 80B 0 -44,-2.1 -44,-2.5 -2,-0.4 2,-0.5 -0.987 5.9-157.5-121.2 128.8 10.2 14.6 94.2 90 94 A Y E -BD 44 79B 0 -11,-2.7 -11,-1.0 -2,-0.5 2,-0.4 -0.927 3.7-163.9-112.2 130.2 10.4 14.9 90.5 91 95 A V E -BD 43 78B 0 -48,-1.7 -48,-1.3 -2,-0.5 2,-0.4 -0.924 9.6-155.9-112.9 135.6 11.1 11.9 88.2 92 96 A I E -B 42 0B 7 -15,-1.3 -16,-2.5 -2,-0.4 -15,-0.5 -0.917 10.4-174.3-121.5 136.3 12.2 12.3 84.6 93 97 A F - 0 0 6 -52,-1.8 -52,-0.5 -2,-0.4 3,-0.1 -0.777 39.9 -83.6-116.5 166.2 11.9 10.1 81.5 94 98 A E > - 0 0 108 -2,-0.3 3,-1.3 -20,-0.2 -1,-0.1 -0.217 66.8 -75.5 -58.3 158.1 13.3 10.5 78.0 95 99 A D T 3 S+ 0 0 84 1,-0.2 -1,-0.1 -55,-0.0 3,-0.1 -0.138 113.0 16.1 -52.2 151.0 11.1 12.6 75.6 96 100 A G T 3 S+ 0 0 80 1,-0.2 2,-0.2 -3,-0.1 -1,-0.2 0.556 75.5 152.3 63.0 11.9 8.0 11.0 74.3 97 101 A T < - 0 0 33 -3,-1.3 -1,-0.2 1,-0.1 -4,-0.1 -0.582 68.6 -89.3 -64.5 135.2 7.7 8.1 76.7 98 102 A D > - 0 0 101 -2,-0.2 4,-3.3 1,-0.2 -1,-0.1 -0.321 40.9-141.9 -49.8 117.0 4.0 7.3 76.9 99 103 A P H > S+ 0 0 75 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.843 97.3 44.3 -56.2 -40.4 3.0 9.7 79.7 100 104 A Y H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.914 112.9 49.5 -75.7 -44.0 0.5 7.2 81.3 101 105 A W H > S+ 0 0 110 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.969 111.2 57.1 -46.9 -51.1 2.9 4.3 80.9 102 106 A A H >X S+ 0 0 1 -4,-3.3 4,-1.7 1,-0.2 3,-1.0 0.929 107.2 40.8 -46.5 -70.2 5.3 6.6 82.5 103 107 A R H 3X S+ 0 0 55 -4,-2.3 4,-1.9 1,-0.3 -1,-0.2 0.808 111.7 59.8 -55.6 -32.5 3.4 7.5 85.7 104 108 A S H 3X S+ 0 0 47 -4,-2.2 4,-0.7 2,-0.2 -1,-0.3 0.918 104.3 49.3 -60.8 -44.3 2.4 3.8 86.0 105 109 A R H X< S+ 0 0 60 -4,-2.2 3,-1.6 -3,-1.0 4,-0.4 0.950 109.3 50.4 -61.2 -50.8 6.1 2.7 86.1 106 110 A V H >< S+ 0 0 0 -4,-1.7 3,-1.1 1,-0.3 4,-0.4 0.881 103.7 60.7 -54.2 -40.9 7.0 5.2 88.8 107 111 A L H >X S+ 0 0 81 -4,-1.9 3,-1.4 1,-0.2 4,-1.0 0.751 83.7 84.7 -56.8 -26.3 4.0 4.0 90.9 108 112 A E T << S+ 0 0 78 -3,-1.6 4,-0.3 -4,-0.7 3,-0.2 0.848 99.4 31.5 -47.9 -46.2 5.6 0.5 91.0 109 113 A Y T <> S+ 0 0 59 -3,-1.1 4,-0.6 -4,-0.4 -1,-0.3 0.413 97.5 87.6 -97.9 0.2 7.8 1.3 94.0 110 114 A L H X> S+ 0 0 20 -3,-1.4 4,-1.2 -4,-0.4 3,-1.2 0.912 86.0 54.6 -63.8 -41.8 5.5 3.7 95.6 111 115 A N H 3X S+ 0 0 115 -4,-1.0 4,-0.6 1,-0.3 3,-0.5 0.902 101.3 58.5 -60.2 -39.5 3.7 0.9 97.5 112 116 A Q H 34 S+ 0 0 75 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.748 108.5 48.3 -57.7 -24.6 7.0 -0.3 98.9 113 117 A V H XX S+ 0 0 0 -3,-1.2 3,-1.3 -4,-0.6 4,-0.7 0.743 88.5 79.4 -92.2 -26.9 7.4 3.1 100.5 114 118 A Q H >< S+ 0 0 77 -4,-1.2 3,-0.7 -3,-0.5 -1,-0.1 0.859 95.5 46.8 -53.5 -42.8 4.0 3.7 102.1 115 119 A G T 3< S+ 0 0 77 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.677 105.4 61.8 -73.9 -16.8 4.7 1.6 105.2 116 120 A K T <4 S+ 0 0 148 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.584 94.5 70.2 -90.8 -12.4 8.2 3.1 105.7 117 121 A L S << S- 0 0 15 -4,-0.7 -56,-0.1 -3,-0.7 6,-0.0 -0.749 90.1 -92.1-105.8 157.4 7.0 6.7 106.3 118 122 A P - 0 0 41 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.163 37.4-103.4 -57.0 176.4 5.1 8.1 109.3 119 123 A A S S+ 0 0 106 1,-0.2 -2,-0.0 3,-0.0 0, 0.0 0.935 116.5 56.5 -73.9 -49.7 1.3 8.4 109.7 120 124 A G S S+ 0 0 56 613,-0.0 2,-0.5 1,-0.0 -1,-0.2 0.687 96.0 89.9 -56.2 -17.3 0.9 12.2 109.0 121 125 A V + 0 0 8 -3,-0.2 2,-0.5 -7,-0.1 -72,-0.1 -0.719 49.9 174.7 -94.7 122.9 2.7 11.5 105.7 122 126 A S - 0 0 60 -2,-0.5 -74,-1.1 -74,-0.4 2,-0.7 -0.982 24.9-138.9-122.9 132.1 0.9 10.6 102.5 123 127 A A E -C 47 0B 8 -2,-0.5 2,-0.4 -76,-0.2 -76,-0.2 -0.851 24.9-157.0 -96.0 119.9 2.8 10.3 99.3 124 128 A E E -C 46 0B 88 -78,-4.2 -78,-2.2 -2,-0.7 2,-0.4 -0.865 14.6-134.1-107.2 129.9 0.8 11.8 96.5 125 129 A L E -C 45 0B 46 -2,-0.4 -80,-0.2 -80,-0.2 468,-0.1 -0.642 40.6-107.7 -78.7 129.1 1.0 11.1 92.8 126 130 A G - 0 0 7 -82,-0.8 -1,-0.1 -2,-0.4 -81,-0.1 0.232 39.2 -87.9 -49.6 177.0 1.0 14.4 91.0 127 131 A P - 0 0 14 0, 0.0 -83,-0.3 0, 0.0 465,-0.0 0.049 38.3-112.1 -71.7-162.2 -2.0 15.7 89.0 128 132 A D S S+ 0 0 41 2,-0.1 161,-0.3 158,-0.1 2,-0.1 0.670 88.3 83.5-106.8 -24.1 -2.3 14.7 85.4 129 133 A A S S- 0 0 4 159,-0.2 159,-0.2 1,-0.1 2,-0.1 -0.412 76.8-120.8 -80.4 155.5 -1.8 18.0 83.8 130 134 A T > - 0 0 18 157,-0.4 3,-1.9 -2,-0.1 4,-0.3 -0.286 41.6 -89.8 -80.7 174.7 1.6 19.5 83.0 131 135 A G G > S+ 0 0 0 1,-0.3 3,-1.1 2,-0.2 517,-0.2 0.880 132.3 60.9 -52.9 -38.9 2.7 22.9 84.4 132 136 A V G 3 S+ 0 0 11 1,-0.2 -1,-0.3 516,-0.1 516,-0.1 0.786 84.9 87.7 -53.4 -27.9 1.2 24.4 81.3 133 137 A G G < + 0 0 4 -3,-1.9 154,-1.8 153,-0.1 -1,-0.2 0.699 52.3 107.6 -51.8 -34.7 -2.1 22.8 82.6 134 138 A W E < +H 286 0D 11 -3,-1.1 152,-0.2 -4,-0.3 3,-0.1 -0.301 39.7 150.3 -52.9 116.3 -3.3 25.7 84.8 135 139 A I E + 0 0 1 150,-2.4 188,-0.8 1,-0.2 2,-0.8 0.661 49.5 32.9-109.4 -90.8 -6.2 27.2 82.9 136 140 A Y E - I 0 322D 12 186,-0.2 149,-1.9 187,-0.1 2,-0.5 -0.665 60.6-172.4 -87.8 106.1 -9.1 28.9 84.6 137 141 A E E +HI 284 321D 21 184,-1.2 183,-2.4 -2,-0.8 184,-2.1 -0.867 11.9 174.3 -96.8 127.2 -8.2 30.7 87.8 138 142 A Y E -HI 283 319D 0 145,-1.8 145,-1.2 -2,-0.5 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-5,-0.3 -2,-0.2 0.947 114.3 42.4 -47.8 -51.5 9.5 21.6 38.0 439 450 A L H X S+ 0 0 1 -4,-4.0 4,-1.9 2,-0.2 -1,-0.2 0.940 121.1 42.4 -57.4 -50.4 6.7 22.6 40.5 440 451 A F H X S+ 0 0 75 -4,-2.6 4,-1.4 -5,-0.3 -2,-0.2 0.972 111.5 51.3 -62.1 -58.7 6.6 19.0 41.8 441 452 A I H < S+ 0 0 22 -4,-4.8 4,-0.4 1,-0.2 -1,-0.2 0.701 113.4 49.1 -57.0 -21.1 10.3 18.3 42.0 442 453 A S H >X S+ 0 0 2 -4,-1.1 4,-1.5 -5,-0.4 3,-1.0 0.901 103.4 55.7 -83.9 -46.5 10.7 21.6 44.0 443 454 A L H 3X S+ 0 0 1 -4,-1.9 4,-0.9 1,-0.3 -2,-0.2 0.769 105.9 53.4 -62.1 -26.5 8.0 21.1 46.6 444 455 A L H 3X S+ 0 0 65 -4,-1.4 4,-0.8 1,-0.2 -1,-0.3 0.734 107.3 50.3 -79.9 -24.1 9.4 17.8 47.7 445 456 A I H <> S+ 0 0 19 -3,-1.0 4,-1.1 -4,-0.4 -2,-0.2 0.760 103.8 58.0 -86.4 -26.0 12.9 19.2 48.3 446 457 A I H < S+ 0 0 5 -4,-1.5 4,-0.3 2,-0.2 -2,-0.2 0.851 105.0 50.6 -70.5 -35.6 11.7 22.2 50.4 447 458 A T H >< S+ 0 0 20 -4,-0.9 3,-1.1 1,-0.2 4,-0.4 0.885 109.4 53.0 -66.7 -37.1 10.1 19.8 52.9 448 459 A L H >< S+ 0 0 59 -4,-0.8 3,-0.6 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387,-0.0 5,-0.1 -0.463 86.0 -86.5-118.8-162.5 16.0 20.6 73.4 459 470 A Q H > S+ 0 0 87 2,-0.2 4,-2.3 3,-0.2 5,-0.1 0.866 135.6 46.4 -75.6 -35.7 12.9 22.0 75.2 460 471 A E H > S+ 0 0 44 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.858 117.1 44.3 -69.0 -35.7 13.2 25.1 73.0 461 472 A G H > S+ 0 0 2 2,-0.2 4,-3.7 3,-0.2 -2,-0.2 0.841 116.4 44.7 -77.3 -37.0 13.7 22.8 70.0 462 473 A R H < S+ 0 0 60 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.741 112.4 53.0 -78.7 -27.1 10.8 20.5 71.1 463 474 A L H < S+ 0 0 35 -4,-2.3 4,-0.4 -5,-0.1 -2,-0.2 0.974 118.0 38.3 -55.7 -58.8 8.8 23.6 71.8 464 475 A F H >X S+ 0 0 12 -4,-2.4 4,-1.7 1,-0.2 3,-0.9 0.862 95.7 82.3 -64.6 -43.3 9.7 24.6 68.3 465 476 A G H 3X S+ 0 0 0 -4,-3.7 4,-3.2 1,-0.2 -1,-0.2 0.768 86.3 59.1 -26.2 -58.3 9.4 21.1 66.7 466 477 A P H 3> S+ 0 0 11 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.868 104.0 47.2 -44.9 -61.2 5.6 21.4 66.4 467 478 A L H <> S+ 0 0 1 -3,-0.9 4,-1.7 -4,-0.4 -2,-0.2 0.918 118.7 46.5 -38.1 -50.3 5.7 24.6 64.1 468 479 A A H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 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0.999 97.3 44.4 -60.3 -68.8 -4.6 22.1 41.3 486 497 A I H 3X S+ 0 0 8 -4,-0.8 4,-2.7 1,-0.2 5,-0.3 0.827 100.6 63.6 -44.5 -56.3 -4.6 21.7 37.5 487 498 A P H 34 S+ 0 0 10 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.843 126.4 16.3 -47.0 -48.0 -7.1 18.8 37.0 488 499 A I H XX S+ 0 0 19 -4,-0.8 3,-2.4 -3,-0.7 4,-0.7 0.855 118.0 73.6 -86.0 -42.1 -10.0 20.8 38.4 489 500 A L H >< S+ 0 0 13 -4,-3.5 3,-2.1 -5,-0.4 -3,-0.2 0.810 88.7 59.1 -37.5 -50.8 -8.2 24.2 38.1 490 501 A M T 3< S+ 0 0 75 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.1 0.827 100.0 57.6 -57.1 -32.3 -8.5 24.3 34.3 491 502 A G T <4 0 0 76 -3,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.750 360.0 360.0 -66.8 -24.4 -12.3 24.2 34.8 492 503 A Y << 0 0 77 -3,-2.1 -135,-0.2 -4,-0.7 -1,-0.1 -0.609 360.0 360.0 -75.8 360.0 -12.0 27.3 36.9 493 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 494 516 A P > 0 0 133 0, 0.0 4,-0.7 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0-109.8 -0.0 45.9 28.9 495 517 A L T >4 + 0 0 51 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.883 360.0 57.5 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135.5 714 736 A Y T < 5S- 0 0 36 -3,-0.9 -1,-0.3 -4,-0.1 56,-0.3 0.219 114.5-121.7-107.0 10.5 14.0 12.0 135.1 715 737 A G T < 5 + 0 0 44 -3,-4.4 2,-0.5 1,-0.2 -3,-0.2 0.923 57.1 153.9 47.6 54.2 13.3 8.7 133.3 716 738 A M < - 0 0 14 -5,-1.5 2,-0.3 -8,-0.2 -1,-0.2 -0.964 44.6-131.8-114.6 126.9 11.9 10.3 130.2 717 739 A T >> - 0 0 93 -2,-0.5 3,-1.8 1,-0.2 4,-1.6 -0.596 24.6-124.6 -67.1 130.4 12.0 8.6 126.8 718 740 A V H 3> S+ 0 0 37 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.862 113.6 66.5 -45.9 -35.2 13.4 11.2 124.3 719 741 A A H 3> S+ 0 0 62 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.928 101.8 45.3 -49.1 -47.9 10.2 10.4 122.5 720 742 A D H <> S+ 0 0 34 -3,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.845 106.4 57.0 -73.4 -34.5 8.3 12.0 125.4 721 743 A V H >X S+ 0 0 0 -4,-1.6 3,-1.4 1,-0.2 4,-0.9 0.942 107.8 51.4 -54.8 -45.0 10.5 15.1 125.7 722 744 A Q H 3X S+ 0 0 93 -4,-2.4 4,-2.7 1,-0.3 3,-0.5 0.829 91.9 73.9 -62.5 -32.6 9.6 15.6 122.0 723 745 A L H 3X>S+ 0 0 29 -4,-1.2 5,-1.5 1,-0.3 4,-1.1 0.839 102.2 43.7 -50.9 -31.1 5.9 15.3 122.8 724 746 A F H <<>S+ 0 0 3 -3,-1.4 5,-1.9 -4,-0.8 -1,-0.3 0.749 113.6 50.5 -86.7 -25.5 6.4 18.7 124.3 725 747 A V H <5S+ 0 0 45 -4,-0.9 5,-0.4 -3,-0.5 -2,-0.2 0.716 123.2 29.8 -78.4 -22.2 8.4 19.9 121.3 726 748 A T H <>S+ 0 0 60 -4,-2.7 5,-2.6 3,-0.2 6,-0.7 0.896 130.5 21.4-104.0 -67.0 5.8 18.6 118.9 727 749 A S T <5S+ 0 0 13 -4,-1.1 -3,-0.2 4,-0.3 23,-0.1 0.913 134.2 35.3 -71.9 -44.2 2.2 18.6 120.1 728 750 A A T - 0 0 27 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 -0.022 38.5-103.3 -58.8 164.9 -1.0 28.5 124.6 752 774 A Q G > S+ 0 0 115 1,-0.2 3,-3.1 2,-0.2 4,-0.4 0.934 116.9 67.6 -47.9 -49.7 0.6 31.3 122.5 753 775 A S G 3 S+ 0 0 86 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.686 98.8 48.3 -51.5 -28.5 2.2 32.7 125.6 754 776 A W G < S+ 0 0 66 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.300 114.7 45.8 -97.3 9.1 4.5 29.7 126.2 755 777 A R S < S+ 0 0 74 -3,-3.1 -2,-0.2 -4,-0.1 -1,-0.2 0.221 79.1 106.0-128.0 10.1 5.7 29.7 122.5 756 778 A D S S- 0 0 100 -4,-0.4 -2,-0.1 -3,-0.3 -3,-0.1 0.893 88.5 -7.1 -63.8 -43.9 6.4 33.4 122.1 757 779 A S S > S- 0 0 56 -4,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.969 75.1 -93.4-150.9 161.4 10.2 33.3 122.1 758 780 A P H > S+ 0 0 41 0, 0.0 4,-0.8 0, 0.0 5,-0.1 0.827 127.8 51.0 -43.8 -38.9 13.2 31.0 122.8 759 781 A Q H >> S+ 0 0 104 2,-0.3 3,-1.6 1,-0.2 4,-1.2 0.972 108.3 48.3 -65.2 -54.9 13.1 32.3 126.4 760 782 A A H 34 S+ 0 0 16 1,-0.3 -1,-0.2 2,-0.2 3,-0.2 0.830 115.7 49.9 -48.4 -30.0 9.4 31.5 126.6 761 783 A L H >< S+ 0 0 12 -4,-2.4 3,-0.7 1,-0.2 -1,-0.3 0.634 99.1 61.5 -88.2 -16.8 10.6 28.2 125.2 762 784 A R H << S+ 0 0 72 -3,-1.6 15,-1.5 -4,-0.8 -1,-0.2 0.672 107.8 47.2 -80.5 -16.0 13.4 27.7 127.6 763 785 A Q T 3< S+ 0 0 101 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.162 77.1 151.4-109.7 14.8 10.8 27.6 130.4 764 786 A L < - 0 0 0 -3,-0.7 12,-1.8 -5,-0.1 2,-0.7 -0.244 51.3-119.5 -46.9 128.1 8.5 25.2 128.6 765 787 A P E -X 775 0K 13 0, 0.0 2,-0.5 0, 0.0 10,-0.3 -0.684 33.8-174.8 -82.1 114.1 6.7 23.3 131.4 766 788 A I E -X 774 0K 0 8,-2.6 8,-2.2 -2,-0.7 2,-0.9 -0.944 14.3-153.0-111.2 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