==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 10-DEC-08 3FI1 . COMPND 2 MOLECULE: NA(+)/H(+) ANTIPORTER NHAA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR M.APPEL,D.HIZLAN,K.R.VINOTHKUMAR,C.ZIEGLER,W.KUEHLBRANDT . 376 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19129.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 73.9 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 . 4 1.1 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 . 1 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 . 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 . 23 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 47.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.1 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 5 1 0 0 1 2 1 1 0 2 1 1 0 0 0 1 1 0 1 0 1 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 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 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 9 A S 0 0 155 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -91.6 -6.1 -22.6 20.5 2 10 A S > + 0 0 78 2,-0.2 4,-0.9 1,-0.2 0, 0.0 0.537 360.0 85.2 -97.6 -10.5 -6.1 -20.4 17.4 3 11 A D H > S+ 0 0 117 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.810 97.2 41.3 -60.3 -30.5 -2.9 -22.0 16.0 4 12 A A H > S+ 0 0 22 1,-0.2 4,-1.5 -3,-0.2 -1,-0.2 0.764 95.6 78.4 -87.5 -29.1 -5.0 -24.7 14.5 5 13 A S H > S+ 0 0 66 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.828 92.2 56.2 -48.0 -35.4 -7.8 -22.4 13.4 6 14 A G H X S+ 0 0 12 -4,-0.9 4,-4.0 2,-0.2 5,-0.3 0.960 99.2 56.0 -63.4 -54.5 -5.5 -21.5 10.5 7 15 A G H X S+ 0 0 12 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.874 110.6 46.1 -45.5 -46.4 -5.0 -25.0 9.1 8 16 A I H X S+ 0 0 98 -4,-1.5 4,-0.8 2,-0.2 -1,-0.2 0.922 116.6 43.7 -65.1 -45.7 -8.8 -25.4 8.8 9 17 A I H X S+ 0 0 75 -4,-1.9 4,-0.7 -5,-0.2 3,-0.3 0.902 115.2 49.4 -66.6 -42.6 -9.2 -22.0 7.1 10 18 A L H >X S+ 0 0 8 -4,-4.0 3,-2.1 1,-0.2 4,-1.1 0.964 106.2 53.6 -61.5 -55.1 -6.2 -22.5 4.9 11 19 A I H 3X S+ 0 0 57 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.2 0.752 100.8 65.5 -52.4 -24.5 -7.2 -26.0 3.7 12 20 A I H 3X S+ 0 0 87 -4,-0.8 4,-2.7 -3,-0.3 -1,-0.3 0.831 97.3 53.7 -68.4 -32.7 -10.6 -24.4 2.7 13 21 A A H S+ 0 0 37 -6,-0.3 4,-2.8 -7,-0.2 5,-0.2 0.579 104.2 88.6-121.2 -27.2 -16.5 -20.6 -12.8 27 35 A S H > S+ 0 0 36 1,-0.2 4,-0.7 -8,-0.2 5,-0.2 0.692 94.0 53.7 -48.0 -17.0 -13.6 -22.5 -14.4 28 36 A G H > S+ 0 0 40 2,-0.1 4,-2.1 3,-0.1 -1,-0.2 0.962 111.2 36.0 -83.1 -64.9 -14.0 -19.8 -17.1 29 37 A W H > S+ 0 0 170 -4,-0.3 4,-3.1 2,-0.2 5,-0.3 0.929 118.2 56.2 -54.5 -48.1 -13.9 -16.5 -15.1 30 38 A Y H X S+ 0 0 10 -4,-2.8 4,-1.8 1,-0.2 -3,-0.2 0.958 114.0 32.8 -47.7 -79.5 -11.2 -18.0 -12.8 31 39 A H H X S+ 0 0 64 -4,-0.7 4,-1.3 -5,-0.2 -1,-0.2 0.816 118.8 60.5 -50.1 -33.1 -8.5 -19.1 -15.3 32 40 A D H < S+ 0 0 107 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.989 108.6 36.8 -60.7 -63.8 -9.6 -16.1 -17.4 33 41 A F H < S+ 0 0 107 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.1 0.967 111.6 60.0 -53.1 -62.5 -8.9 -13.3 -14.9 34 42 A L H < S+ 0 0 21 -4,-1.8 19,-0.2 -5,-0.3 -1,-0.2 0.852 111.4 36.0 -30.2 -74.5 -5.7 -14.8 -13.5 35 43 A E < + 0 0 122 -4,-1.3 17,-0.1 -5,-0.2 15,-0.0 -0.280 66.4 132.5 -81.1 169.6 -3.8 -15.0 -16.7 36 44 A T - 0 0 60 15,-0.2 13,-0.0 -2,-0.1 -4,-0.0 0.057 33.5-151.7 144.2 102.0 -4.0 -12.4 -19.5 37 45 A P + 0 0 71 0, 0.0 2,-0.1 0, 0.0 11,-0.0 0.667 22.8 167.5 -60.3-131.2 -1.1 -10.8 -21.4 38 46 A V - 0 0 94 2,-0.0 11,-2.4 12,-0.0 2,-0.2 -0.085 25.0-125.4 120.8 140.2 -1.5 -7.3 -22.9 39 47 A Q E +A 48 0A 117 9,-0.3 9,-0.3 -2,-0.1 2,-0.2 -0.696 24.9 174.4-112.7 166.1 0.8 -4.6 -24.4 40 48 A L E -A 47 0A 115 7,-3.3 7,-1.8 -2,-0.2 2,-0.2 -0.853 15.0-158.0-153.0-173.2 1.4 -1.0 -23.6 41 49 A R E -A 46 0A 148 5,-0.3 2,-0.9 -2,-0.2 5,-0.2 -0.595 7.5-159.5 178.8 114.4 3.6 2.1 -24.4 42 50 A V S S- 0 0 104 3,-0.9 2,-0.9 -2,-0.2 4,-0.1 -0.699 77.3 -46.6-103.3 80.7 4.3 5.3 -22.5 43 51 A G S S- 0 0 66 -2,-0.9 3,-0.0 1,-0.2 0, 0.0 -0.770 130.6 -7.0 102.5 -90.6 5.5 7.7 -25.1 44 52 A S S S+ 0 0 122 -2,-0.9 2,-0.4 2,-0.0 -1,-0.2 0.172 116.7 87.2-126.3 13.5 8.0 5.9 -27.4 45 53 A L - 0 0 83 2,-0.0 -3,-0.9 0, 0.0 2,-0.3 -0.959 53.0-172.5-120.7 134.4 8.4 2.7 -25.4 46 54 A E E +A 41 0A 105 -2,-0.4 -5,-0.3 -5,-0.2 2,-0.3 -0.817 13.7 144.7-122.0 162.1 6.2 -0.4 -25.8 47 55 A I E -A 40 0A 90 -7,-1.8 -7,-3.3 -2,-0.3 2,-0.3 -0.974 25.2-136.9-175.8 178.8 5.9 -3.7 -23.9 48 56 A N E +A 39 0A 80 -9,-0.3 -9,-0.3 -2,-0.3 2,-0.3 -0.940 18.6 161.4-149.1 169.5 3.5 -6.4 -22.7 49 57 A K - 0 0 109 -11,-2.4 2,-0.2 -2,-0.3 -2,-0.0 -0.968 21.5-125.6-172.4-178.4 2.7 -8.7 -19.7 50 58 A N - 0 0 77 -2,-0.3 -15,-0.1 1,-0.1 2,-0.1 -0.605 26.0 -96.6-131.2-168.6 0.1 -10.9 -18.0 51 59 A M S S+ 0 0 72 -2,-0.2 2,-3.4 1,-0.1 -15,-0.2 -0.299 92.0 43.7-103.6-170.5 -1.7 -11.4 -14.7 52 60 A L S > S+ 0 0 46 1,-0.2 4,-2.2 -17,-0.1 5,-0.3 -0.052 93.3 87.9 65.8 -42.2 -1.1 -13.6 -11.6 53 61 A L H > S+ 0 0 80 -2,-3.4 4,-0.6 1,-0.2 -1,-0.2 0.693 91.1 47.0 -58.5 -17.8 2.5 -12.6 -11.9 54 62 A W H > S+ 0 0 142 2,-0.2 4,-2.8 3,-0.1 3,-0.5 0.936 106.0 53.9 -86.3 -63.8 1.6 -9.6 -9.7 55 63 A I H > S+ 0 0 48 1,-0.3 4,-3.3 2,-0.2 -2,-0.2 0.814 114.0 43.0 -38.3 -46.1 -0.4 -11.3 -7.0 56 64 A N H X S+ 0 0 7 -4,-2.2 4,-1.8 2,-0.2 5,-0.5 0.875 111.1 51.9 -75.6 -36.7 2.4 -13.7 -6.3 57 65 A D H < S+ 0 0 12 -4,-0.6 4,-0.5 -3,-0.5 -2,-0.2 0.892 117.4 43.1 -65.8 -31.5 5.2 -11.2 -6.4 58 66 A A H X S+ 0 0 42 -4,-2.8 4,-2.1 3,-0.1 -2,-0.2 0.967 118.5 41.6 -75.1 -55.4 3.0 -9.3 -4.0 59 67 A L H X S+ 0 0 19 -4,-3.3 4,-3.2 -5,-0.3 5,-0.2 0.966 116.9 42.8 -61.1 -58.5 2.0 -12.1 -1.7 60 68 A M H X S+ 0 0 1 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.762 111.3 59.9 -62.0 -21.3 5.2 -14.1 -1.4 61 69 A A H > S+ 0 0 9 -4,-0.5 4,-1.0 -5,-0.5 -1,-0.2 0.977 111.0 38.4 -66.5 -54.5 7.0 -10.8 -0.9 62 70 A V H >X S+ 0 0 55 -4,-2.1 4,-1.8 2,-0.2 3,-1.3 0.960 117.2 52.1 -58.1 -53.9 4.9 -10.0 2.1 63 71 A F H 3X S+ 0 0 13 -4,-3.2 4,-2.0 1,-0.3 -1,-0.2 0.923 111.3 45.9 -50.2 -49.8 5.1 -13.6 3.3 64 72 A F H 3X S+ 0 0 1 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.3 0.652 102.5 65.8 -72.7 -11.3 8.8 -13.7 3.0 65 73 A L H X S+ 0 0 5 -4,-2.6 4,-2.2 1,-0.2 3,-0.5 0.950 112.9 44.5 -51.7 -58.1 11.9 -11.2 10.4 70 78 A E H 3X S+ 0 0 9 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.885 109.2 54.3 -57.1 -46.4 11.7 -14.5 12.1 71 79 A V H 3X S+ 0 0 15 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.808 109.5 50.2 -60.4 -30.4 14.9 -15.9 10.7 72 80 A K H 4 S+ 0 0 32 1,-0.2 2,-3.6 2,-0.1 3,-2.3 0.731 109.7 12.3 -50.6-139.8 16.4 -17.7 20.1 79 87 A S T 34 S+ 0 0 23 1,-0.3 -1,-0.2 2,-0.1 -4,-0.1 0.220 133.5 19.0 -25.0 4.1 16.5 -21.1 18.4 80 88 A L T 34 S+ 0 0 22 -2,-3.6 -1,-0.3 -6,-1.1 -5,-0.2 0.433 80.9 107.3-164.8 4.8 19.6 -20.6 16.4 81 89 A A S << S+ 0 0 41 -3,-2.3 2,-0.3 -4,-0.8 -3,-0.1 0.919 76.6 63.6 -58.8 -45.2 21.9 -17.8 17.6 82 90 A S S >> S- 0 0 28 -4,-0.3 4,-2.2 -5,-0.2 3,-1.0 -0.646 83.7-129.2 -87.7 136.6 24.6 -20.2 19.0 83 91 A L T 34 S+ 0 0 162 -2,-0.3 4,-0.3 1,-0.3 -1,-0.1 0.353 112.1 56.1 -63.9 10.4 26.5 -22.6 16.7 84 92 A R T 34 S+ 0 0 189 2,-0.1 4,-0.4 3,-0.1 -1,-0.3 0.704 108.2 41.2-108.6 -39.4 25.4 -25.2 19.3 85 93 A Q T <4 S+ 0 0 59 -3,-1.0 -2,-0.2 2,-0.1 -4,-0.1 0.688 120.7 48.3 -81.9 -21.3 21.6 -24.6 19.1 86 94 A A S X S+ 0 0 11 -4,-2.2 4,-1.5 -6,-0.2 5,-0.3 0.970 88.1 78.3 -80.0 -68.1 22.0 -24.3 15.3 87 95 A A H > S+ 0 0 25 -4,-0.3 4,-1.8 1,-0.2 5,-0.1 0.563 97.9 46.7 -12.0 -48.2 24.2 -27.3 14.4 88 96 A F H > S+ 0 0 14 -4,-0.4 4,-3.2 2,-0.2 5,-0.3 0.996 115.3 39.6 -70.3 -70.5 21.2 -29.7 14.6 89 97 A P H > S+ 0 0 10 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.867 119.4 49.1 -45.7 -43.5 18.4 -27.9 12.7 90 98 A V H >X S+ 0 0 53 -4,-1.5 4,-4.2 2,-0.2 3,-0.5 0.988 115.6 41.4 -59.6 -58.7 21.0 -26.7 10.1 91 99 A I H 3< S+ 0 0 46 -4,-1.8 4,-0.3 -5,-0.3 -1,-0.2 0.805 114.8 56.6 -58.3 -26.8 22.4 -30.2 9.7 92 100 A A H 3X S+ 0 0 0 -4,-3.2 4,-1.3 2,-0.1 -1,-0.2 0.852 118.7 28.3 -74.0 -36.4 18.8 -31.3 9.8 93 101 A A H > S+ 0 0 0 -5,-0.4 3,-2.9 -4,-0.3 4,-1.7 0.831 105.8 68.1 -94.0 -49.5 20.0 -32.6 4.6 96 104 A G H 3< S+ 0 0 4 -4,-1.3 -2,-0.2 1,-0.3 -3,-0.1 0.495 108.8 37.2 -47.4 -7.2 16.3 -31.7 4.3 97 105 A M T 3< S+ 0 0 51 -4,-1.1 -1,-0.3 3,-0.1 -2,-0.1 0.054 114.1 51.4-135.9 23.2 17.0 -30.1 0.9 98 106 A I T <> S+ 0 0 87 -3,-2.9 4,-1.8 -5,-0.1 -2,-0.2 0.494 105.9 49.3-132.1 -23.9 19.7 -32.3 -0.7 99 107 A V T < S+ 0 0 36 -4,-1.7 5,-0.3 2,-0.2 -3,-0.1 0.913 111.6 49.1 -83.0 -49.5 18.2 -35.8 -0.4 100 108 A P T >> S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 3,-1.1 0.949 119.0 41.3 -53.7 -47.2 14.8 -34.7 -1.8 101 109 A A H 3>>S+ 0 0 14 1,-0.3 4,-4.9 2,-0.2 2,-1.0 0.995 112.5 51.3 -60.4 -65.4 16.7 -33.1 -4.7 102 110 A L H 3<5S+ 0 0 115 -4,-1.8 -1,-0.3 1,-0.3 -3,-0.1 0.171 115.3 46.5 -63.2 21.9 19.3 -35.8 -5.2 103 111 A L H <45S+ 0 0 45 -3,-1.1 -1,-0.3 -2,-1.0 -2,-0.2 0.533 122.2 31.8-123.2 -49.4 16.4 -38.3 -5.3 104 112 A Y H >X5S+ 0 0 0 -4,-2.4 4,-1.2 -3,-0.3 3,-0.5 0.862 121.0 50.6 -77.9 -44.0 14.1 -36.4 -7.7 105 113 A L G ><5S+ 0 0 51 -4,-4.9 3,-1.2 -5,-0.3 -3,-0.2 0.967 114.5 43.9 -60.1 -51.2 17.0 -34.8 -9.6 106 114 A A G 34 S+ 0 0 119 3,-0.0 3,-1.4 1,-0.0 4,-0.5 0.581 99.5 19.2-129.6 -91.1 15.9 -32.0 -19.7 112 120 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.059 124.8 56.1 -78.4 33.0 13.5 -29.1 -19.1 113 121 A I T >> S+ 0 0 24 -2,-0.2 4,-2.1 -5,-0.2 3,-0.6 0.408 78.0 86.2-131.0 -18.1 12.9 -30.7 -15.7 114 122 A T H <> S+ 0 0 42 -3,-1.4 4,-1.2 1,-0.3 -6,-0.1 0.851 94.5 49.5 -52.0 -35.8 16.5 -30.7 -14.5 115 123 A R H 34 S+ 0 0 136 -4,-0.5 -1,-0.3 2,-0.2 4,-0.1 0.773 106.1 58.0 -75.3 -28.5 15.7 -27.2 -13.3 116 124 A E H X4 S+ 0 0 0 -3,-0.6 3,-1.7 2,-0.1 4,-0.3 0.966 103.0 49.6 -65.4 -57.1 12.5 -28.4 -11.6 117 125 A G H 3< S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.3 -12,-0.1 0.933 86.7 82.1 -46.3 -62.5 14.2 -30.9 -9.3 118 126 A W T 3< S- 0 0 108 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.1 0.545 120.8 -13.4 -20.6 -22.9 16.8 -28.6 -8.0 119 127 A A S < S+ 0 0 6 -3,-1.7 3,-0.5 -4,-0.1 -2,-0.1 0.230 96.4 97.1-144.4 -88.2 14.0 -27.4 -5.7 120 128 A I S S+ 0 0 0 217,-0.3 3,-0.4 -4,-0.3 217,-0.1 0.268 96.9 47.9 13.5 -68.6 10.3 -28.1 -5.8 121 129 A P S S+ 0 0 6 0, 0.0 -1,-0.3 0, 0.0 -20,-0.1 0.157 101.5 72.5 -77.2 25.8 10.4 -31.0 -3.3 122 130 A A S S+ 0 0 4 -3,-0.5 -2,-0.1 -22,-0.1 34,-0.1 0.843 75.9 79.3-100.8 -49.7 12.6 -28.9 -1.0 123 131 A A - 0 0 3 -3,-0.4 2,-0.4 210,-0.1 211,-0.2 -0.249 63.1-157.1 -60.6 143.5 10.2 -26.3 0.5 124 132 A T - 0 0 1 28,-0.3 2,-2.5 206,-0.1 206,-0.3 -0.980 29.6-111.2-124.2 135.1 7.9 -27.4 3.3 125 133 A D >> - 0 0 1 204,-2.1 4,-3.1 -2,-0.4 3,-1.6 -0.422 33.5-171.0 -69.0 82.3 4.7 -25.6 3.9 126 134 A I H 3> S+ 0 0 21 -2,-2.5 4,-0.6 1,-0.3 -1,-0.2 0.636 83.8 55.6 -48.9 -14.7 5.9 -24.2 7.3 127 135 A A H 34 S+ 0 0 40 2,-0.1 -1,-0.3 3,-0.1 4,-0.2 0.830 114.4 35.2 -88.0 -35.4 2.3 -23.0 7.8 128 136 A F H <> S+ 0 0 38 -3,-1.6 4,-2.3 201,-0.2 5,-0.3 0.790 109.6 64.2 -86.0 -35.4 0.7 -26.4 7.3 129 137 A A H X S+ 0 0 0 -4,-3.1 4,-0.5 1,-0.3 -3,-0.2 0.862 110.5 38.1 -58.9 -38.0 3.5 -28.4 9.0 130 138 A L H X S+ 0 0 40 -4,-0.6 4,-0.7 -5,-0.3 -1,-0.3 0.617 110.8 64.3 -88.0 -14.1 2.8 -26.6 12.3 131 139 A G H >> S+ 0 0 6 -4,-0.2 4,-1.0 2,-0.2 3,-0.6 0.941 104.1 41.9 -72.9 -48.1 -0.9 -26.8 11.6 132 140 A V H 3< S+ 0 0 18 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.758 112.7 57.6 -69.7 -23.5 -1.2 -30.6 11.6 133 141 A L H 3< S+ 0 0 3 -4,-0.5 3,-0.5 -5,-0.3 -1,-0.2 0.707 102.1 54.8 -79.2 -21.6 1.1 -30.6 14.6 134 142 A A H << S+ 0 0 17 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.761 88.5 72.8 -83.1 -28.3 -1.2 -28.4 16.6 135 143 A L S < S+ 0 0 93 -4,-1.0 2,-0.9 1,-0.2 -1,-0.2 0.553 83.1 88.9 -62.9 -4.2 -4.3 -30.6 16.2 136 144 A L S S- 0 0 28 -3,-0.5 -1,-0.2 1,-0.1 3,-0.0 -0.803 99.3-108.3-102.1 93.3 -2.4 -32.7 18.7 137 145 A G - 0 0 78 -2,-0.9 -1,-0.1 1,-0.2 3,-0.1 0.152 52.7 -84.9 25.3-105.3 -3.3 -31.6 22.2 138 146 A S S S+ 0 0 88 1,-0.1 2,-0.4 -3,-0.1 -1,-0.2 0.290 88.1 113.1-172.0 1.3 -0.2 -29.9 23.6 139 147 A R S S+ 0 0 187 1,-0.2 -1,-0.1 237,-0.1 3,-0.1 -0.781 77.3 18.6 -95.5 133.8 2.1 -32.5 25.0 140 148 A V S S+ 0 0 23 -2,-0.4 -1,-0.2 1,-0.2 4,-0.1 -0.303 107.2 78.7 107.1 -41.6 5.5 -33.2 23.3 141 149 A P 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0 0 6 -4,-0.9 4,-2.1 2,-0.2 5,-0.8 0.991 118.3 44.9 -57.9 -67.1 12.7 -21.6 6.9 154 162 A I H X5S+ 0 0 59 -4,-1.5 4,-0.5 1,-0.2 -2,-0.2 0.870 120.2 42.8 -43.7 -46.9 16.3 -22.8 6.3 155 163 A D H X5S+ 0 0 2 -4,-4.0 4,-2.6 3,-0.2 -1,-0.2 0.926 123.3 36.7 -67.5 -47.3 15.0 -25.1 3.5 156 164 A D H X5S+ 0 0 2 -4,-3.5 4,-1.9 -5,-0.5 5,-0.3 0.997 121.0 42.8 -68.4 -69.8 12.6 -22.6 2.0 157 165 A L H X5S+ 0 0 17 -4,-2.1 4,-0.8 -5,-0.3 -1,-0.2 0.746 115.1 58.2 -49.8 -20.9 14.6 -19.4 2.5 158 166 A G H >XX S+ 0 0 59 -4,-2.4 4,-2.5 1,-0.3 3,-0.5 0.923 114.5 49.4 -47.0 -44.5 20.1 -21.0 -4.2 163 171 A I H 3X S+ 0 0 21 -4,-3.5 4,-1.2 -5,-0.3 -1,-0.3 0.695 103.3 58.6 -68.5 -23.2 17.6 -20.2 -7.0 164 172 A A H << S+ 0 0 6 -3,-1.5 5,-0.3 -4,-0.6 -1,-0.2 0.815 113.8 37.9 -76.7 -29.5 18.4 -16.5 -7.1 165 173 A L H << S+ 0 0 121 -4,-1.7 -2,-0.2 -3,-0.5 4,-0.2 0.851 109.6 60.1 -86.2 -39.6 22.1 -17.3 -7.8 166 174 A F H < S+ 0 0 73 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.882 94.8 82.0 -54.5 -37.8 21.4 -20.2 -10.2 167 175 A Y S < S- 0 0 69 -4,-1.2 2,-2.4 -5,-0.2 0, 0.0 -0.445 92.0-119.7 -74.8 141.5 19.5 -17.7 -12.3 168 176 A T - 0 0 121 -2,-0.1 3,-0.2 1,-0.1 -1,-0.1 -0.494 47.5-122.0 -77.9 70.2 21.4 -15.5 -14.8 169 177 A N - 0 0 69 -2,-2.4 2,-3.3 -5,-0.3 -1,-0.1 0.311 7.0-125.4 -18.4 121.5 20.1 -12.4 -13.0 170 178 A D - 0 0 85 1,-0.1 2,-3.9 41,-0.1 -1,-0.2 -0.471 34.2-166.2 -75.8 68.8 18.2 -10.1 -15.3 171 179 A L - 0 0 105 -2,-3.3 2,-0.7 -3,-0.2 -1,-0.1 -0.255 3.3-166.0 -60.2 62.6 20.6 -7.4 -14.2 172 180 A S > - 0 0 54 -2,-3.9 4,-2.6 1,-0.2 5,-0.4 -0.411 22.5-134.7 -55.5 102.5 18.5 -4.6 -15.7 173 181 A M H > S+ 0 0 159 -2,-0.7 4,-1.6 1,-0.2 -1,-0.2 0.805 97.7 41.4 -26.4 -73.1 21.4 -2.1 -15.3 174 182 A A H >> S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 3,-1.8 0.935 118.0 44.9 -43.6 -70.3 19.2 0.7 -13.8 175 183 A S H 3> S+ 0 0 38 1,-0.3 4,-3.3 2,-0.2 5,-0.4 0.913 108.0 55.9 -42.1 -61.5 17.1 -1.5 -11.5 176 184 A L H 3X S+ 0 0 84 -4,-2.6 4,-0.7 1,-0.2 -1,-0.3 0.833 112.7 47.8 -43.6 -31.6 20.0 -3.5 -10.2 177 185 A G H XX S+ 0 0 32 -3,-1.8 4,-1.8 -4,-1.6 3,-1.6 0.979 109.7 46.7 -74.5 -58.4 21.3 0.0 -9.3 178 186 A V H 3X S+ 0 0 67 -4,-2.0 4,-3.1 1,-0.3 5,-0.4 0.909 107.7 59.6 -48.7 -45.8 18.2 1.4 -7.7 179 187 A A H 3X S+ 0 0 12 -4,-3.3 4,-2.7 -5,-0.2 -1,-0.3 0.846 106.8 49.4 -51.6 -34.4 18.0 -1.8 -5.7 180 188 A A H X S+ 0 0 47 -4,-1.5 4,-1.8 2,-0.2 3,-1.3 0.934 105.5 50.9 -77.6 -51.6 21.8 1.0 0.9 185 193 A V H 3X S+ 0 0 59 -4,-3.4 4,-3.4 1,-0.3 5,-0.3 0.944 102.2 62.4 -48.8 -53.7 19.4 3.4 2.5 186 194 A L H 3X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 -1,-0.3 0.820 108.6 44.2 -40.5 -38.7 18.0 0.5 4.4 187 195 A A H XX S+ 0 0 42 -3,-1.3 4,-2.4 -4,-0.6 3,-2.0 0.988 114.1 42.7 -74.8 -63.2 21.4 0.2 6.0 188 196 A V H 3X S+ 0 0 78 -4,-1.8 4,-2.8 1,-0.3 -2,-0.2 0.854 113.6 59.4 -50.8 -32.2 22.3 3.8 6.9 189 197 A L H 3<>S+ 0 0 33 -4,-3.4 5,-1.1 -5,-0.3 -1,-0.3 0.779 109.8 38.9 -66.7 -30.6 18.7 3.9 8.0 190 198 A N H <<5S+ 0 0 64 -3,-2.0 -1,-0.2 -4,-0.6 -2,-0.2 0.701 114.3 56.3 -90.7 -26.3 19.2 1.2 10.5 191 199 A L H <5S+ 0 0 140 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.977 103.5 49.6 -69.0 -59.7 22.6 2.5 11.4 192 200 A C T <5S- 0 0 111 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.1 0.510 123.6-111.5 -59.5 -1.5 21.5 6.0 12.4 193 201 A G T 5 + 0 0 50 -3,-0.2 2,-0.5 1,-0.2 -3,-0.2 1.000 50.0 173.6 68.0 73.6 19.0 4.1 14.4 194 202 A A < + 0 0 27 -5,-1.1 -1,-0.2 1,-0.1 6,-0.1 -0.952 11.7 171.9-110.4 126.6 15.5 4.6 12.9 195 203 A R + 0 0 146 -2,-0.5 2,-2.8 34,-0.1 -1,-0.1 0.405 42.6 116.7-112.6 -1.5 12.8 2.5 14.5 196 204 A R > - 0 0 164 1,-0.2 3,-1.9 2,-0.1 4,-0.5 -0.429 52.1-165.8 -68.0 77.7 9.9 4.2 12.7 197 205 A T T 3> S+ 0 0 14 -2,-2.8 4,-1.0 1,-0.3 -1,-0.2 0.495 74.5 78.9 -48.9 -6.0 9.1 0.8 11.0 198 206 A G H >> S+ 0 0 30 2,-0.2 4,-1.5 3,-0.1 3,-0.5 0.961 91.9 50.0 -68.1 -49.7 6.9 2.7 8.6 199 207 A V H X> S+ 0 0 59 -3,-1.9 4,-1.6 1,-0.2 3,-1.1 0.968 101.4 58.7 -50.0 -74.1 9.9 3.9 6.6 200 208 A Y H 3> S+ 0 0 0 -4,-0.5 4,-2.5 1,-0.3 -1,-0.2 0.726 105.6 52.7 -25.8 -45.6 11.7 0.5 6.2 201 209 A I H X S+ 0 0 22 -4,-1.6 4,-2.7 1,-0.2 3,-1.0 0.980 110.7 54.2 -51.8 -53.3 11.9 1.7 0.9 204 212 A G H 3X S+ 0 0 4 -4,-2.5 4,-4.2 -5,-0.3 5,-0.2 0.903 103.5 51.5 -44.4 -56.4 11.3 -2.0 0.6 205 213 A V H 3X S+ 0 0 65 -4,-2.8 4,-3.0 2,-0.2 -1,-0.3 0.854 111.3 51.2 -54.2 -31.1 8.4 -1.5 -1.8 206 214 A V H < S+ 0 0 75 -4,-3.0 3,-0.9 -5,-0.2 -1,-0.2 0.828 109.9 56.6 -57.7 -32.2 9.4 -2.5 -7.5 210 218 A A H 3< S+ 0 0 13 -4,-2.5 3,-0.4 1,-0.3 -2,-0.2 0.995 111.0 37.5 -61.8 -64.9 13.0 -2.3 -8.7 211 219 A V T >< S+ 0 0 25 -4,-2.1 3,-1.3 1,-0.2 7,-0.5 0.080 84.6 124.2 -75.8 27.4 13.8 -6.0 -8.9 212 220 A L T < + 0 0 33 -3,-0.9 -1,-0.2 1,-0.2 3,-0.2 0.434 52.7 72.2 -75.0 4.4 10.3 -6.6 -10.1 213 221 A K T 3 S+ 0 0 141 -3,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.514 97.6 50.8 -95.7 -1.4 11.3 -8.3 -13.4 214 222 A S S X> S- 0 0 23 -3,-1.3 3,-2.6 1,-0.2 4,-1.4 -0.860 72.7-154.8-136.0 100.1 12.4 -11.5 -11.6 215 223 A G H >> S+ 0 0 17 -2,-0.4 4,-2.9 1,-0.3 3,-0.6 0.855 92.3 58.1 -35.1 -65.8 9.9 -12.9 -9.1 216 224 A V H 3> S+ 0 0 8 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.740 109.1 50.1 -42.5 -26.8 12.4 -14.8 -6.9 217 225 A H H <> S+ 0 0 46 -3,-2.6 4,-1.8 2,-0.2 -1,-0.3 0.921 107.1 48.7 -82.2 -45.3 14.0 -11.4 -6.4 218 226 A A H X S+ 0 0 0 -4,-2.9 4,-1.1 -5,-0.3 3,-0.8 0.971 106.8 51.6 -60.6 -51.9 10.3 -12.2 -3.1 220 228 A L H 3X S+ 0 0 30 -4,-1.7 4,-3.1 -5,-0.3 -1,-0.2 0.762 97.0 67.6 -56.1 -30.3 13.8 -11.8 -1.6 221 229 A A H 3X S+ 0 0 5 -4,-1.8 4,-2.4 2,-0.2 -1,-0.3 0.939 95.9 56.1 -56.1 -48.4 13.2 -8.1 -1.1 222 230 A G H XX S+ 0 0 9 -4,-1.2 4,-2.4 -3,-0.8 3,-1.0 0.969 110.7 44.2 -44.9 -63.0 10.7 -9.0 1.6 223 231 A V H 3X S+ 0 0 8 -4,-1.1 4,-0.8 1,-0.3 -1,-0.2 0.899 107.7 59.0 -48.5 -48.7 13.3 -11.0 3.3 224 232 A I H 3X S+ 0 0 52 -4,-3.1 4,-0.8 1,-0.2 -1,-0.3 0.872 111.7 41.4 -52.9 -37.9 15.9 -8.3 2.8 225 233 A V H XX S+ 0 0 8 -4,-2.4 4,-2.3 -3,-1.0 3,-2.0 0.977 106.9 57.0 -74.7 -56.5 13.7 -5.9 4.7 226 234 A G H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.647 108.7 56.1 -48.3 -9.3 12.6 -8.2 7.5 227 235 A F H 3< S+ 0 0 76 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.766 110.0 38.7 -93.7 -32.8 16.3 -8.4 7.9 228 236 A F H << S+ 0 0 56 -3,-2.0 -2,-0.2 -4,-0.8 -3,-0.1 0.746 83.6 108.9 -91.8 -23.7 17.1 -4.7 8.4 229 237 A I S < S- 0 0 0 -4,-2.3 -34,-0.1 1,-0.1 -39,-0.0 -0.414 85.9 -96.9 -60.0 115.3 14.1 -3.8 10.5 230 238 A P + 0 0 12 0, 0.0 10,-1.5 0, 0.0 11,-0.2 0.178 44.7 174.7 -33.7 138.0 15.6 -3.1 14.0 231 239 A L + 0 0 24 8,-0.1 10,-0.2 9,-0.1 -2,-0.0 0.732 42.0 102.6-118.7 -45.8 15.6 -5.9 16.6 232 240 A K > - 0 0 158 1,-0.2 3,-0.8 6,-0.1 5,-0.2 -0.228 66.6-138.3 -49.5 121.6 17.5 -4.8 19.8 233 241 A E G > S+ 0 0 110 1,-0.3 3,-2.1 2,-0.1 -1,-0.2 0.373 70.2 121.8 -65.6 8.6 14.9 -3.9 22.4 234 242 A K G 3 + 0 0 181 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.847 65.0 62.9 -38.0 -47.2 17.3 -1.0 23.2 235 243 A H G < S- 0 0 81 -3,-0.8 -1,-0.3 2,-0.3 3,-0.1 0.871 125.6-101.7 -47.1 -43.8 14.5 1.4 22.5 236 244 A G S < S+ 0 0 54 -3,-2.1 2,-0.3 1,-0.4 -1,-0.1 -0.143 106.4 36.6 138.5 -27.1 12.5 -0.1 25.4 237 245 A R S S- 0 0 169 -5,-0.2 -1,-0.4 0, 0.0 -2,-0.3 -0.915 88.9-113.5-141.9 161.5 10.4 -2.1 22.9 238 246 A S > - 0 0 4 -2,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.881 10.3-158.8-106.2 129.3 11.4 -3.8 19.6 239 247 A P H > S+ 0 0 13 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.895 96.8 48.5 -71.9 -37.8 9.9 -2.5 16.3 240 248 A A H > S+ 0 0 4 -10,-1.5 4,-3.4 2,-0.2 5,-0.4 0.970 107.9 52.8 -64.1 -54.3 10.6 -5.8 14.6 241 249 A K H > S+ 0 0 91 1,-0.2 4,-0.9 -10,-0.2 -1,-0.2 0.867 112.6 47.1 -50.0 -39.7 9.0 -7.9 17.4 242 250 A R H >X S+ 0 0 149 -4,-1.5 4,-1.8 2,-0.2 3,-1.2 0.988 114.3 45.4 -66.0 -58.3 5.9 -5.7 17.0 243 251 A L H >X S+ 0 0 20 -4,-2.6 4,-2.7 1,-0.3 3,-0.5 0.930 108.8 54.9 -49.0 -56.8 5.8 -5.9 13.2 244 252 A E H 3X S+ 0 0 28 -4,-3.4 4,-1.3 1,-0.3 -1,-0.3 0.792 111.0 49.7 -50.0 -28.0 6.4 -9.7 13.2 245 253 A H H << S+ 0 0 143 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.846 110.4 44.1 -83.9 -35.2 3.4 -9.9 15.5 246 254 A V H S+ 0 0 56 0, 0.0 4,-2.8 0, 0.0 5,-0.4 0.985 115.1 51.6 -53.8 -60.4 -2.3 -13.1 11.7 250 258 A W H X>S+ 0 0 152 -4,-0.9 4,-2.4 1,-0.2 5,-2.1 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