==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 13-MAY-09 3HFX . COMPND 2 MOLECULE: L-CARNITINE/GAMMA-BUTYROBETAINE ANTIPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.TANG,W.-H.WANG,L.BAI,T.JIANG . 493 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21478.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 387 78.5 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 . 13 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 296 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 0 0 0 0 1 3 0 1 0 1 1 0 0 1 2 0 0 0 0 0 0 0 1 0 0 5 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 12 A P > 0 0 60 0, 0.0 4,-1.0 0, 0.0 422,-0.0 0.000 360.0 360.0 360.0 -95.4 17.8 31.9 37.0 2 13 A K T 4 + 0 0 107 1,-0.2 181,-0.1 2,-0.1 421,-0.0 0.351 360.0 36.0 -81.1 1.9 19.3 35.3 36.2 3 14 A V T 4 S+ 0 0 6 3,-0.1 -1,-0.2 179,-0.1 419,-0.0 0.418 108.3 66.6-128.4 -11.4 22.1 33.4 34.4 4 15 A F T > S+ 0 0 64 2,-0.1 4,-1.3 3,-0.1 -2,-0.1 0.987 105.5 32.6 -77.7 -67.9 20.1 30.5 32.9 5 16 A F H X S+ 0 0 132 -4,-1.0 4,-2.3 1,-0.2 5,-0.3 0.879 106.1 70.0 -59.9 -45.4 17.8 32.0 30.3 6 17 A P H > S+ 0 0 35 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.891 106.3 38.7 -46.5 -55.6 20.0 34.9 29.2 7 18 A P H > S+ 0 0 4 0, 0.0 4,-2.5 0, 0.0 3,-0.4 0.990 111.9 60.0 -50.4 -66.3 22.5 32.6 27.4 8 19 A L H X S+ 0 0 63 -4,-1.3 4,-2.3 1,-0.3 -3,-0.1 0.761 112.5 36.3 -26.5 -61.4 19.7 30.3 26.1 9 20 A I H X S+ 0 0 105 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.904 113.5 56.6 -66.2 -43.8 17.9 33.1 24.2 10 21 A I H X S+ 0 0 69 -4,-2.1 4,-1.2 -3,-0.4 -2,-0.2 0.861 113.8 41.1 -60.0 -37.5 21.1 34.9 23.0 11 22 A V H X S+ 0 0 0 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.962 114.6 51.9 -69.4 -54.6 22.3 31.7 21.4 12 23 A G H >X S+ 0 0 22 -4,-2.3 4,-1.2 -5,-0.3 3,-0.7 0.879 109.4 47.6 -50.1 -52.0 18.9 30.8 20.0 13 24 A I H 3X S+ 0 0 80 -4,-3.1 4,-0.6 1,-0.3 -1,-0.2 0.930 113.5 50.0 -56.7 -45.1 18.4 34.1 18.3 14 25 A L H 3< S+ 0 0 83 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.726 110.1 57.2 -61.5 -22.6 21.9 33.8 16.9 15 26 A C H XX S+ 0 0 18 -4,-1.2 4,-4.0 -3,-0.7 3,-2.2 0.994 112.8 26.1 -82.2 -77.2 21.0 30.2 15.7 16 27 A W H 3< S+ 0 0 201 -4,-1.2 4,-0.5 1,-0.3 -1,-0.2 0.549 120.8 62.4 -65.9 -3.3 18.0 30.1 13.3 17 28 A L T 3< S+ 0 0 75 -4,-0.6 -1,-0.3 -5,-0.4 4,-0.3 0.588 113.2 33.7 -90.1 -17.2 19.1 33.7 12.6 18 29 A T T X4 S+ 0 0 23 -3,-2.2 3,-1.1 -4,-0.2 7,-0.3 0.811 116.2 55.7 -91.3 -50.0 22.3 32.1 11.3 19 30 A V T 3< S+ 0 0 95 -4,-4.0 3,-0.3 1,-0.3 -3,-0.2 0.701 101.7 60.2 -57.3 -23.1 20.6 29.0 10.0 20 31 A R T 3 S+ 0 0 167 -4,-0.5 2,-0.3 -5,-0.3 -1,-0.3 0.911 121.7 15.7 -68.5 -40.4 18.3 31.2 7.9 21 32 A D <> + 0 0 59 -3,-1.1 4,-1.1 -4,-0.3 -1,-0.3 -0.862 54.8 162.1-145.7 102.1 21.2 32.7 6.0 22 33 A L H > S+ 0 0 55 -2,-0.3 4,-2.7 -3,-0.3 -1,-0.1 0.719 84.4 57.1 -86.7 -27.2 24.8 31.3 5.9 23 34 A D H 4 S+ 0 0 155 2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 0.856 119.2 33.4 -74.7 -32.0 25.8 33.2 2.8 24 35 A A H >> S+ 0 0 36 -6,-0.1 3,-1.2 2,-0.1 4,-0.9 0.758 115.8 57.5 -86.2 -30.7 24.9 36.4 4.7 25 36 A A H >X S+ 0 0 8 -4,-1.1 3,-1.8 1,-0.3 4,-1.7 0.988 100.2 58.9 -58.4 -55.0 26.0 34.9 8.0 26 37 A N H 3< S+ 0 0 40 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.1 0.169 103.9 53.9 -65.3 23.2 29.5 34.3 6.6 27 38 A V H <> S+ 0 0 93 -3,-1.2 4,-0.8 -2,-1.0 -1,-0.3 0.548 109.0 42.8-125.9 -24.9 29.8 38.0 5.9 28 39 A V H XX S+ 0 0 88 -3,-1.8 4,-2.8 -4,-0.9 3,-0.9 0.934 116.7 46.7 -79.0 -58.1 29.0 39.4 9.4 29 40 A I H 3X S+ 0 0 29 -4,-1.7 4,-1.4 1,-0.3 -3,-0.2 0.822 113.9 53.6 -50.0 -32.6 31.1 36.9 11.2 30 41 A N H 3> S+ 0 0 62 -5,-0.4 4,-1.4 2,-0.2 -1,-0.3 0.830 111.2 42.0 -72.8 -36.2 33.7 37.8 8.6 31 42 A A H << S+ 0 0 57 -3,-0.9 4,-0.3 -4,-0.8 -2,-0.2 0.777 109.5 56.3 -87.4 -29.1 33.6 41.5 9.2 32 43 A V H X S+ 0 0 60 -4,-2.8 4,-3.4 2,-0.2 3,-0.4 0.904 107.8 50.9 -66.9 -42.9 33.5 41.3 13.0 33 44 A F H X S+ 0 0 27 -4,-1.4 4,-3.1 -5,-0.3 5,-0.4 0.987 111.2 45.2 -51.7 -63.8 36.7 39.3 13.0 34 45 A S H < S+ 0 0 58 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.543 118.0 49.3 -69.3 -2.9 38.5 41.8 10.7 35 46 A Y H >>S+ 0 0 130 -3,-0.4 4,-2.6 -4,-0.3 5,-0.5 0.875 116.7 34.4 -86.1 -68.3 37.1 44.4 13.0 36 47 A V H X5S+ 0 0 19 -4,-3.4 4,-1.7 1,-0.2 -2,-0.2 0.865 124.1 47.9 -57.1 -38.7 38.0 43.1 16.5 37 48 A T H X5S+ 0 0 0 -4,-3.1 4,-1.3 -5,-0.4 -1,-0.2 0.963 117.5 35.2 -68.3 -58.4 41.3 41.7 15.1 38 49 A N H 45S+ 0 0 74 -5,-0.4 4,-0.2 1,-0.2 -2,-0.2 0.868 126.8 38.0 -70.5 -34.8 42.7 44.6 13.2 39 50 A V H <5S+ 0 0 68 -4,-2.6 -3,-0.2 1,-0.1 -2,-0.2 0.886 131.5 20.5 -88.7 -42.3 41.5 47.3 15.4 40 51 A W H >XX S+ 0 0 2 -4,-1.3 4,-1.0 1,-0.2 3,-0.8 0.876 72.6 61.3 -54.3 -45.3 44.4 43.1 18.5 42 53 A W H 3> S+ 0 0 116 1,-0.3 4,-2.8 2,-0.2 3,-0.4 0.818 95.2 63.8 -52.1 -36.9 47.2 44.8 20.4 43 54 A A H <> S+ 0 0 14 -3,-0.9 4,-3.1 1,-0.2 -1,-0.3 0.935 100.1 51.9 -54.2 -47.1 45.0 44.8 23.5 44 55 A F H X S+ 0 0 28 -4,-2.1 4,-2.2 2,-0.2 3,-0.5 0.952 110.9 46.9 -65.0 -48.0 52.4 40.6 28.5 50 61 A V H 3X S+ 0 0 86 -4,-3.1 4,-3.4 1,-0.3 -2,-0.2 0.934 113.3 47.5 -59.8 -49.9 50.9 42.1 31.7 51 62 A M H 3X S+ 0 0 13 -4,-2.7 4,-1.5 -5,-0.2 90,-0.3 0.691 110.3 54.9 -61.0 -20.9 49.8 38.7 32.9 52 63 A L H X S+ 0 0 143 -4,-2.2 4,-2.0 2,-0.2 3,-0.9 0.926 105.2 65.3 -66.5 -45.9 54.8 40.2 34.2 54 65 A G H 3X S+ 0 0 6 -4,-3.4 4,-3.0 1,-0.3 5,-0.3 0.904 97.9 53.1 -31.2 -60.4 52.2 39.1 36.7 55 66 A W H 3X S+ 0 0 39 -4,-1.5 4,-0.9 1,-0.2 -1,-0.3 0.812 106.0 52.9 -54.6 -37.2 54.0 35.7 36.9 56 67 A F H XX S+ 0 0 105 -4,-1.0 4,-2.3 -3,-0.9 3,-0.5 0.967 113.2 42.3 -63.6 -50.1 57.3 37.4 37.7 57 68 A W H 3X S+ 0 0 83 -4,-2.0 4,-3.1 1,-0.3 7,-0.3 0.935 111.7 54.4 -57.8 -51.8 55.8 39.4 40.6 58 69 A L H 3< S+ 0 0 2 -4,-3.0 -1,-0.3 -5,-0.3 -2,-0.2 0.776 118.1 39.0 -54.0 -24.6 53.8 36.4 41.8 59 70 A V H << S+ 0 0 0 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.746 130.1 22.6 -99.2 -29.5 57.2 34.7 41.9 60 71 A F H < S+ 0 0 141 -4,-2.3 -3,-0.2 -3,-0.1 -2,-0.2 0.575 112.8 61.4-119.5 -14.3 59.6 37.3 43.1 61 72 A G S < S- 0 0 33 -4,-3.1 3,-0.3 -5,-0.3 -3,-0.1 0.334 101.6 -45.9 -92.9-143.7 57.6 39.8 45.1 62 73 A P S S+ 0 0 74 0, 0.0 2,-0.3 0, 0.0 4,-0.0 0.974 122.5 42.1 -52.6 -92.3 55.3 39.7 48.2 63 74 A Y S > S+ 0 0 14 2,-0.1 3,-0.8 270,-0.1 270,-0.4 0.398 91.1 103.1 -60.8 5.7 52.9 36.7 48.2 64 75 A A T 3 S+ 0 0 5 -2,-0.3 -5,-0.1 -3,-0.3 -4,-0.1 -0.140 78.4 30.9 -60.4 175.4 55.6 34.4 46.8 65 76 A K T 3 S+ 0 0 157 -6,-0.2 2,-0.6 1,-0.1 -1,-0.2 0.580 95.7 117.9 53.4 9.9 57.1 32.0 49.5 66 77 A K S < S- 0 0 68 -3,-0.8 -1,-0.1 -4,-0.0 3,-0.1 -0.833 75.9-108.9-126.5 98.8 53.8 32.0 51.3 67 78 A R - 0 0 111 -2,-0.6 2,-3.5 1,-0.2 265,-0.3 0.217 24.8-134.6 -17.2 99.5 51.8 28.8 51.8 68 79 A L S S- 0 0 1 263,-2.1 2,-0.3 262,-0.1 -1,-0.2 -0.309 76.4 -32.4 -66.4 63.8 48.7 29.1 49.5 69 80 A G S S- 0 0 13 -2,-3.5 83,-0.2 261,-0.1 261,-0.1 -0.842 103.6 -16.4 124.1-160.8 46.5 27.9 52.3 70 81 A N S S- 0 0 71 81,-0.4 81,-0.0 -2,-0.3 82,-0.0 0.259 79.0 -81.9 -63.8-164.6 46.7 25.5 55.3 71 82 A E S S+ 0 0 147 1,-0.1 -3,-0.1 2,-0.0 -1,-0.0 0.949 93.2 78.1 -71.2 -50.4 49.4 22.9 55.8 72 83 A P - 0 0 59 0, 0.0 2,-0.6 0, 0.0 -2,-0.1 -0.548 59.1-147.3 -98.5 114.4 48.5 19.7 53.9 73 84 A P - 0 0 63 0, 0.0 4,-0.1 0, 0.0 255,-0.1 -0.587 14.3-148.6 -67.4 114.9 49.0 19.1 50.1 74 85 A E S S+ 0 0 111 -2,-0.6 2,-0.3 2,-0.0 254,-0.1 0.627 81.8 34.4 -59.0 -20.8 46.1 16.8 49.1 75 86 A F S S- 0 0 71 252,-0.2 255,-0.1 2,-0.0 2,-0.1 -0.883 94.0-101.6-131.0 158.3 48.3 15.1 46.4 76 87 A S > - 0 0 67 -2,-0.3 4,-3.1 1,-0.1 5,-0.2 -0.434 37.9-106.0 -79.0 161.5 52.0 14.4 46.3 77 88 A T H > S+ 0 0 88 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.943 121.2 41.7 -52.8 -54.5 54.3 16.7 44.2 78 89 A A H > S+ 0 0 56 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.877 114.4 51.5 -61.8 -39.5 54.8 14.2 41.4 79 90 A S H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.910 112.2 49.7 -61.4 -40.0 51.1 13.3 41.4 80 91 A W H X S+ 0 0 8 -4,-3.1 4,-1.3 2,-0.2 -2,-0.2 0.930 110.9 45.8 -59.8 -53.5 50.5 17.0 41.2 81 92 A I H X S+ 0 0 83 -4,-2.7 4,-2.3 1,-0.2 3,-0.2 0.894 117.5 45.1 -62.9 -39.8 52.8 17.7 38.3 82 93 A F H X S+ 0 0 111 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.878 103.0 63.3 -69.1 -38.9 51.4 14.7 36.4 83 94 A M H < S+ 0 0 64 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.846 111.3 40.6 -54.9 -31.6 47.9 15.7 37.3 84 95 A M H >< S+ 0 0 0 -4,-1.3 3,-1.0 -3,-0.2 4,-0.4 0.896 110.3 56.3 -80.1 -46.0 48.7 18.8 35.2 85 96 A F H 3< S+ 0 0 46 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.814 115.7 39.4 -51.9 -34.0 50.6 16.8 32.5 86 97 A A T 3< S+ 0 0 16 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.517 88.3 92.9 -98.9 -7.9 47.5 14.7 31.9 87 98 A S < + 0 0 21 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.1 0.703 54.1 108.2 -67.9 -23.4 44.8 17.4 32.3 88 99 A C + 0 0 50 -4,-0.4 3,-0.0 -3,-0.3 -3,-0.0 -0.368 34.6 158.1 -53.2 127.0 44.7 18.1 28.5 89 100 A T + 0 0 47 -2,-0.1 2,-0.2 319,-0.0 322,-0.2 0.289 32.1 105.7-141.2 3.4 41.4 16.5 27.4 90 101 A S - 0 0 30 1,-0.1 4,-0.2 320,-0.1 318,-0.1 -0.606 51.2-157.1 -99.8 153.2 40.5 18.3 24.2 91 102 A A S >> S+ 0 0 2 -2,-0.2 4,-1.2 2,-0.2 3,-0.7 0.622 87.7 76.1-102.3 -18.8 40.7 17.1 20.6 92 103 A A H 3> S+ 0 0 2 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.717 88.5 65.9 -63.5 -19.5 41.0 20.5 19.0 93 104 A V H 3> S+ 0 0 25 2,-0.2 4,-3.2 1,-0.2 -1,-0.3 0.913 98.9 48.3 -63.6 -44.8 44.5 20.2 20.3 94 105 A L H <4 S+ 0 0 13 -3,-0.7 -2,-0.2 -4,-0.2 -1,-0.2 0.759 111.6 52.8 -69.3 -25.7 45.1 17.3 17.8 95 106 A F H >X S+ 0 0 8 -4,-1.2 4,-1.7 3,-0.1 3,-0.9 0.969 117.3 33.9 -65.9 -61.7 43.6 19.5 15.1 96 107 A W H 3X S+ 0 0 6 -4,-2.5 4,-1.7 1,-0.3 5,-0.3 0.852 111.7 62.2 -68.7 -36.7 45.9 22.5 15.6 97 108 A G H 3< S+ 0 0 1 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.1 0.118 111.6 43.4 -73.4 23.3 48.8 20.3 16.6 98 109 A S H <4 S+ 0 0 0 -3,-0.9 4,-0.2 258,-0.1 -2,-0.2 0.573 123.2 23.1-134.6 -49.8 48.5 19.0 13.1 99 110 A I H X S+ 0 0 4 -4,-1.7 4,-2.3 2,-0.1 5,-0.2 0.533 98.6 88.5-102.2 -8.5 48.0 21.7 10.5 100 111 A E H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.3 3,-0.4 0.959 91.0 45.2 -53.6 -57.0 49.4 24.6 12.5 101 112 A I H > S+ 0 0 2 -5,-0.3 4,-1.9 1,-0.3 -1,-0.2 0.792 110.0 57.2 -58.6 -32.5 52.9 24.0 11.2 102 113 A Y H > S+ 0 0 27 -4,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.914 108.3 45.9 -64.0 -44.7 51.6 23.6 7.7 103 114 A Y H X S+ 0 0 58 -4,-2.3 4,-2.4 -3,-0.4 -2,-0.2 0.848 110.1 55.0 -68.3 -32.9 49.9 27.0 7.9 104 115 A Y H < S+ 0 0 2 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.887 112.6 41.7 -66.4 -39.8 53.1 28.5 9.3 105 116 A I H < S+ 0 0 0 -4,-1.9 10,-3.9 -5,-0.2 -2,-0.2 0.776 117.1 46.5 -82.4 -21.9 55.2 27.3 6.4 106 117 A S H < S+ 0 0 21 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.2 0.861 130.6 21.1 -88.1 -41.9 52.7 28.1 3.7 107 118 A T S < S- 0 0 88 -4,-2.4 -1,-0.3 -5,-0.2 6,-0.1 -0.893 91.9-166.3-118.5 98.0 51.9 31.6 5.0 108 119 A P - 0 0 15 0, 0.0 3,-0.4 0, 0.0 2,-0.1 -0.307 18.2-118.7 -77.7 163.1 54.9 32.5 7.1 109 120 A P S > S+ 0 0 3 0, 0.0 3,-1.5 0, 0.0 13,-0.1 -0.352 91.9 37.0 -73.4 175.6 55.2 35.3 9.6 110 121 A F T 3 S- 0 0 35 1,-0.3 3,-0.1 -2,-0.1 0, 0.0 0.523 122.8 -76.3 67.3 16.4 57.8 38.0 9.0 111 122 A G T 3 S+ 0 0 73 -3,-0.4 -1,-0.3 1,-0.2 2,-0.1 0.595 82.0 153.6 67.4 10.9 57.7 38.2 5.2 112 123 A L < - 0 0 57 -3,-1.5 -1,-0.2 1,-0.1 3,-0.1 -0.436 54.7 -96.7 -64.2 147.7 59.6 35.0 4.8 113 124 A E > - 0 0 152 1,-0.1 3,-1.9 -3,-0.1 6,-0.4 -0.502 45.7 -94.3 -76.2 136.0 58.7 33.4 1.5 114 125 A P T 3 S+ 0 0 74 0, 0.0 -8,-0.2 0, 0.0 -1,-0.1 -0.143 105.3 0.8 -51.5 135.8 56.1 30.6 1.6 115 126 A N T 3 S+ 0 0 76 -10,-3.9 -9,-0.1 1,-0.2 -10,-0.1 0.302 95.4 144.3 69.3 -7.4 57.6 27.1 1.8 116 127 A S <> - 0 0 37 -3,-1.9 4,-1.8 -11,-0.2 -1,-0.2 -0.014 68.2-104.8 -52.9 162.1 61.1 28.5 1.9 117 128 A T H > S+ 0 0 112 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.900 123.1 50.3 -57.7 -39.3 63.8 26.8 4.1 118 129 A G H >> S+ 0 0 19 2,-0.2 4,-1.1 1,-0.2 3,-0.7 0.912 103.1 57.4 -68.6 -45.7 63.5 29.7 6.5 119 130 A A H >> S+ 0 0 3 -6,-0.4 3,-1.4 1,-0.3 4,-0.5 0.948 108.1 48.4 -46.7 -53.0 59.7 29.5 6.8 120 131 A K H >X S+ 0 0 42 -4,-1.8 4,-0.5 1,-0.3 3,-0.5 0.749 103.3 63.1 -59.5 -27.4 60.1 25.9 7.9 121 132 A E H << S+ 0 0 83 -4,-0.9 4,-0.3 -3,-0.7 -1,-0.3 0.752 107.0 42.4 -72.4 -23.7 62.7 26.9 10.4 122 133 A L H X S+ 0 0 0 -4,-0.5 4,-2.6 1,-0.2 3,-1.5 0.887 115.3 63.0 -51.9 -41.5 57.7 24.5 15.3 125 136 A A H 3> S+ 0 0 0 -4,-0.3 4,-1.1 1,-0.3 -1,-0.2 0.857 100.3 51.1 -56.9 -39.0 59.1 27.5 17.1 126 137 A Y H < S+ 0 0 1 -4,-1.1 3,-2.2 -5,-0.3 -2,-0.2 0.962 113.7 42.7 -75.5 -76.0 55.4 30.2 21.5 130 141 A H H 3< S+ 0 0 0 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.1 0.516 131.5 26.9 -41.6 -18.4 51.6 29.9 21.1 131 142 A W T 3< S+ 0 0 25 -4,-1.6 -1,-0.3 -5,-0.0 -2,-0.2 0.123 105.7 84.7-141.9 24.0 51.6 26.8 23.4 132 143 A G S <> S- 0 0 0 -3,-2.2 4,-1.2 -4,-0.2 5,-0.1 0.058 97.8 -51.8-106.6-145.2 54.7 27.0 25.7 133 144 A P H > S+ 0 0 39 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.928 120.9 64.4 -62.6 -47.8 55.5 28.7 29.0 134 145 A L H > S+ 0 0 23 1,-0.2 4,-1.3 2,-0.2 3,-0.5 0.894 108.4 37.1 -44.0 -62.2 54.3 32.3 28.1 135 146 A P H 4 S+ 0 0 1 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.871 117.9 52.3 -64.9 -33.8 50.6 31.5 27.7 136 147 A W H >X S+ 0 0 35 -4,-1.2 3,-0.8 1,-0.2 4,-0.6 0.766 105.8 54.6 -71.8 -29.3 50.7 29.0 30.5 137 148 A A H >X S+ 0 0 6 -4,-2.8 4,-0.6 -3,-0.5 3,-0.5 0.798 93.1 70.5 -70.8 -26.4 52.2 31.6 32.8 138 149 A T H 3< S+ 0 0 3 -4,-1.3 4,-0.4 -3,-0.3 -1,-0.2 0.487 96.5 56.0 -74.8 2.1 49.3 34.0 32.0 139 150 A Y H <> S+ 0 0 9 -3,-0.8 4,-1.9 2,-0.1 -1,-0.3 0.780 84.1 81.0 -95.1 -38.5 47.3 31.6 34.1 140 151 A S H S+ 0 0 0 -4,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.679 118.2 53.6 -59.3 -14.1 44.1 33.8 38.0 143 154 A S H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 5,-0.3 0.960 108.8 42.8 -77.9 -68.8 45.3 30.6 39.5 144 155 A V H X S+ 0 0 1 -4,-3.2 4,-1.5 2,-0.2 -2,-0.2 0.817 118.0 52.9 -46.9 -36.2 47.0 32.0 42.7 145 156 A A H >X S+ 0 0 0 -4,-3.1 3,-2.8 -5,-0.3 4,-2.2 0.975 111.3 39.9 -53.6 -86.4 43.9 34.2 42.9 146 157 A F H 3< S+ 0 0 2 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.576 118.2 52.2 -43.5 -14.4 41.2 31.5 42.7 147 158 A A H 3X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.1 -1,-0.3 0.724 109.2 47.3 -95.8 -28.8 43.4 29.4 44.9 148 159 A Y H S+ 0 0 0 -3,-2.8 5,-2.1 -4,-1.5 4,-1.3 0.891 104.8 59.7 -73.2 -44.5 43.7 32.2 47.5 149 160 A F H <5S+ 0 0 0 -4,-2.2 6,-1.5 1,-0.2 -1,-0.2 0.591 115.7 40.5 -53.9 -8.6 39.9 32.7 47.4 150 161 A F H 45S+ 0 0 4 -5,-0.4 -2,-0.2 -3,-0.3 -1,-0.2 0.840 122.3 22.4-110.1 -47.9 39.9 29.1 48.5 151 162 A F H <5S+ 0 0 14 -4,-1.9 -81,-0.4 3,-0.1 -3,-0.2 0.540 131.6 25.8-116.6 -10.1 42.5 28.1 51.1 152 163 A V T <5S+ 0 0 44 -4,-1.3 2,-0.3 -5,-0.2 -3,-0.1 0.567 129.4 41.2-115.7 -33.7 43.6 31.3 52.9 153 164 A R S S- 0 0 19 0, 0.0 3,-0.7 0, 0.0 22,-0.1 -0.239 80.5-126.4 -59.3 147.4 29.8 32.0 38.6 161 172 A S G > S+ 0 0 2 1,-0.2 3,-0.6 2,-0.1 4,-0.1 0.755 103.3 65.3 -64.5 -30.9 32.6 34.5 38.2 162 173 A S G > S+ 0 0 5 16,-0.3 3,-3.4 1,-0.2 2,-1.8 0.872 76.6 83.8 -60.9 -41.0 30.8 37.3 39.9 163 174 A T G < S+ 0 0 42 -3,-0.7 -1,-0.2 1,-0.3 -5,-0.2 0.262 100.3 38.8 -54.4 18.9 30.8 35.5 43.3 164 175 A L G < S+ 0 0 0 -2,-1.8 -1,-0.3 -3,-0.6 3,-0.2 0.293 92.0 82.6-152.6 5.3 34.3 37.0 43.8 165 176 A V <> + 0 0 6 -3,-3.4 4,-2.0 1,-0.1 8,-0.3 -0.061 63.3 91.5-100.7 33.1 34.2 40.5 42.4 166 177 A P T 4 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.887 76.0 66.1 -84.2 -39.2 32.7 42.2 45.4 167 178 A L T 4 S+ 0 0 53 1,-0.2 -2,-0.1 -3,-0.2 3,-0.0 0.708 125.1 16.9 -47.7 -25.0 36.2 42.9 46.8 168 179 A V T 4 S+ 0 0 45 -4,-0.1 -1,-0.2 317,-0.0 2,-0.1 0.659 100.9 115.3-107.0 -38.5 36.4 45.2 43.7 169 180 A G < + 0 0 12 -4,-2.0 3,-0.4 1,-0.1 5,-0.1 -0.083 36.0 178.5 -48.1 100.8 32.6 45.4 42.9 170 181 A E S S+ 0 0 193 1,-0.3 2,-1.2 -2,-0.1 -1,-0.1 0.952 83.8 42.8 -63.3 -58.0 31.5 49.0 43.3 171 182 A K S S- 0 0 176 1,-0.1 7,-0.4 2,-0.0 4,-0.3 -0.728 123.3 -98.0 -92.9 82.1 27.9 48.3 42.3 172 183 A H > - 0 0 119 -2,-1.2 3,-2.3 -3,-0.4 6,-0.3 0.482 25.2-139.5 -10.4 108.7 27.5 45.0 44.3 173 184 A A T 3 S+ 0 0 7 -8,-0.3 -1,-0.2 1,-0.3 8,-0.1 0.413 97.6 76.9 -59.7 0.6 28.2 42.1 41.9 174 185 A K T 3 S+ 0 0 163 4,-0.1 -1,-0.3 -5,-0.1 -2,-0.1 0.445 98.9 50.2 -83.5 0.2 25.3 40.3 43.6 175 186 A G S < S- 0 0 43 -3,-2.3 -2,-0.1 -4,-0.3 4,-0.1 0.715 122.3 -47.0-104.8-107.3 23.0 42.6 41.6 176 187 A L S > S+ 0 0 120 -4,-0.3 4,-3.7 -5,-0.2 5,-0.3 0.802 127.3 54.9-102.8 -53.2 22.9 43.4 37.9 177 188 A F H > S+ 0 0 84 -6,-0.3 4,-0.9 1,-0.3 5,-0.2 0.948 112.0 46.3 -43.6 -61.9 26.6 44.1 37.1 178 189 A G H > S+ 0 0 1 -7,-0.4 4,-1.5 -6,-0.3 3,-0.4 0.851 116.6 45.3 -49.5 -41.3 27.6 40.7 38.5 179 190 A T H > S+ 0 0 12 2,-0.2 4,-1.8 1,-0.2 5,-0.3 0.934 109.5 51.7 -73.2 -44.7 24.8 39.0 36.6 180 191 A I H < S+ 0 0 75 -4,-3.7 -1,-0.2 1,-0.2 -2,-0.2 0.534 113.9 48.8 -70.2 -5.8 25.3 40.7 33.2 181 192 A V H X S+ 0 0 19 -4,-0.9 4,-2.6 -3,-0.4 -1,-0.2 0.735 106.0 54.9 -96.7 -38.5 29.0 39.7 33.6 182 193 A D H X S+ 0 0 7 -4,-1.5 4,-2.3 -5,-0.2 -2,-0.2 0.769 114.3 39.0 -73.2 -29.5 28.2 36.0 34.4 183 194 A N H X S+ 0 0 17 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.773 112.0 56.4 -88.0 -27.9 26.1 35.5 31.4 184 195 A F H > S+ 0 0 119 -5,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.933 114.7 43.1 -59.2 -45.8 28.5 37.6 29.2 185 196 A Y H X S+ 0 0 18 -4,-2.6 4,-2.6 1,-0.2 3,-0.4 0.986 112.6 49.9 -56.8 -64.5 31.0 35.0 30.5 186 197 A L H X S+ 0 0 6 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.787 106.3 57.6 -50.3 -35.8 28.8 32.0 30.1 187 198 A V H X S+ 0 0 15 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.934 111.8 38.4 -65.8 -52.2 27.9 32.9 26.4 188 199 A A H X S+ 0 0 4 -4,-1.4 4,-2.6 -3,-0.4 5,-0.2 0.918 113.3 58.3 -62.6 -43.0 31.5 33.0 25.2 189 200 A L H X S+ 0 0 6 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.826 110.9 42.3 -58.8 -32.3 32.3 30.0 27.4 190 201 A I H X S+ 0 0 2 -4,-1.8 4,-3.1 -5,-0.2 5,-0.3 0.960 110.1 55.3 -77.8 -50.9 29.6 28.0 25.6 191 202 A F H X S+ 0 0 45 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.842 110.5 48.4 -42.5 -40.5 30.6 29.4 22.1 192 203 A A H >X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 3,-0.5 0.940 108.9 49.8 -69.6 -48.1 34.1 28.0 22.9 193 204 A M H 3X S+ 0 0 4 -4,-1.6 4,-2.0 1,-0.3 -2,-0.2 0.849 111.8 52.6 -56.6 -32.7 32.8 24.7 24.0 194 205 A G H 3X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 -1,-0.3 0.789 107.2 50.8 -69.4 -31.0 30.9 24.9 20.7 195 206 A T H << S+ 0 0 0 -4,-1.2 -2,-0.2 -3,-0.5 5,-0.2 0.872 108.8 49.6 -77.3 -40.1 34.2 25.6 18.9 196 207 A S H >X S+ 0 0 2 -4,-2.6 4,-3.3 2,-0.2 3,-1.6 0.973 114.5 47.7 -56.4 -54.2 36.0 22.6 20.4 197 208 A L H 3X S+ 0 0 4 -4,-2.0 4,-2.2 1,-0.3 -2,-0.2 0.950 107.1 54.2 -47.6 -62.6 33.0 20.5 19.4 198 209 A G H 3< S+ 0 0 5 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.234 118.2 37.4 -66.0 13.6 32.9 21.8 15.8 199 210 A L H <> S+ 0 0 8 -3,-1.6 4,-1.0 262,-0.0 -1,-0.2 0.532 111.9 55.3-121.7 -46.2 36.5 20.8 15.4 200 211 A A H X S+ 0 0 1 -4,-3.3 4,-1.2 1,-0.2 -2,-0.2 0.745 103.4 58.7 -61.3 -27.6 36.6 17.6 17.3 201 212 A T H >X S+ 0 0 0 -4,-2.2 4,-3.1 -5,-0.2 3,-0.8 0.990 100.3 49.9 -70.4 -60.0 33.7 16.1 15.3 202 213 A P H 3> S+ 0 0 13 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.739 108.0 57.5 -49.3 -29.4 35.2 16.3 11.7 203 214 A L H 3X S+ 0 0 0 -4,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.927 113.8 37.0 -65.0 -47.5 38.4 14.6 13.1 204 215 A V H < S+ 0 0 6 -4,-2.5 3,-0.9 -5,-0.2 -1,-0.2 0.875 108.0 59.8 -73.7 -36.9 36.9 11.8 8.8 207 218 A C H >< S+ 0 0 0 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.785 98.8 64.3 -53.3 -27.4 38.6 9.0 10.9 208 219 A M H >< S+ 0 0 20 -4,-1.0 6,-0.8 1,-0.3 3,-0.5 0.795 82.9 68.0 -72.0 -34.7 35.3 7.2 10.0 209 220 A Q T << S+ 0 0 56 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.1 0.278 96.1 64.3 -65.9 13.1 36.0 7.1 6.3 210 221 A W T < S+ 0 0 102 -3,-0.8 -1,-0.3 1,-0.2 191,-0.1 -0.446 87.5 70.7-130.0 55.4 38.7 4.7 7.6 211 222 A L S X S- 0 0 50 -3,-0.5 3,-1.1 3,-0.1 -1,-0.2 -0.499 138.5 -48.4-173.9 76.0 36.3 2.1 8.9 212 223 A F T 3 S- 0 0 218 1,-0.2 -3,-0.1 -3,-0.1 -2,-0.1 0.636 102.4 -81.1 45.2 16.6 34.8 0.5 5.9 213 224 A G T 3 - 0 0 45 -5,-0.5 -4,-0.3 1,-0.2 -1,-0.2 0.703 56.5-174.3 78.5 33.1 34.3 4.1 4.7 214 225 A I < - 0 0 78 -3,-1.1 -1,-0.2 -6,-0.8 -4,-0.1 -0.367 39.1-106.5 -50.9 131.3 31.1 5.6 6.3 215 226 A P - 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 0.186 16.4-139.8 -61.0-177.2 30.8 9.0 4.6 216 227 A H > + 0 0 81 -3,-0.1 5,-0.5 -7,-0.1 -10,-0.1 0.713 43.7 144.1-118.1 -34.1 31.6 12.4 6.2 217 228 A T T >>5 - 0 0 57 3,-0.2 4,-1.8 2,-0.1 3,-1.7 0.506 68.0 -99.5 -4.1 142.9 28.8 14.8 5.1 218 229 A L H 3>5S+ 0 0 75 1,-0.3 4,-3.6 2,-0.2 3,-0.4 0.884 125.4 60.9 -41.6 -52.7 27.4 17.5 7.4 219 230 A Q H 3>5S+ 0 0 129 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.859 105.4 47.5 -37.9 -48.0 24.5 15.2 8.1 220 231 A L H <>5S+ 0 0 16 -3,-1.7 4,-2.4 2,-0.2 -1,-0.3 0.855 110.5 50.1 -71.2 -37.5 27.0 12.7 9.5 221 232 A D H XX S+ 0 0 27 -4,-2.2 4,-2.6 -5,-0.2 3,-1.1 0.954 112.4 49.6 -69.1 -53.6 22.7 11.7 28.7 234 245 A I H 3< S+ 0 0 125 -4,-3.1 4,-0.3 1,-0.3 -1,-0.2 0.445 106.1 60.8 -67.2 1.4 22.3 7.9 29.2 235 246 A C H 34 S+ 0 0 51 -5,-0.2 -1,-0.3 2,-0.1 5,-0.2 0.757 108.6 39.6 -91.8 -38.0 25.7 8.2 31.0 236 247 A V H << S+ 0 0 33 -3,-1.1 -2,-0.2 -4,-0.9 -3,-0.1 0.873 95.0 88.9 -71.3 -41.2 24.3 10.6 33.6 237 248 A A S < S+ 0 0 81 -4,-2.6 2,-0.3 -5,-0.1 -1,-0.2 0.707 99.1 21.7 -29.9 -50.9 21.0 8.5 33.8 238 249 A C S S- 0 0 94 -4,-0.3 2,-0.7 -3,-0.2 0, 0.0 -0.836 88.1-109.8-119.2 163.9 22.5 6.3 36.5 239 250 A G + 0 0 72 -2,-0.3 2,-0.2 2,-0.0 -3,-0.1 -0.847 63.0 103.7-102.4 112.0 25.3 6.8 39.0 240 251 A L - 0 0 143 -2,-0.7 3,-0.4 -5,-0.2 4,-0.4 -0.553 47.0-153.2-179.9 120.9 28.6 4.9 38.7 241 252 A Q > + 0 0 144 1,-0.2 4,-0.5 2,-0.2 5,-0.5 -0.159 63.6 117.6 -87.8 38.1 32.1 5.9 37.4 242 253 A K T 4 S+ 0 0 169 -2,-0.2 -1,-0.2 3,-0.1 0, 0.0 0.447 93.9 19.5 -77.3 -3.6 32.9 2.3 36.4 243 254 A G T > S+ 0 0 35 -3,-0.4 4,-1.0 -8,-0.1 -2,-0.2 0.602 124.4 48.7-130.0 -47.4 33.1 3.7 32.9 244 255 A V H > S+ 0 0 50 -4,-0.4 4,-1.0 2,-0.2 -3,-0.1 0.705 111.6 51.8 -80.1 -20.6 33.7 7.5 33.0 245 256 A R H X S+ 0 0 108 -4,-0.5 4,-1.4 2,-0.2 3,-0.2 0.956 115.3 40.3 -70.0 -56.9 36.5 7.2 35.5 246 257 A I H > S+ 0 0 98 -5,-0.5 4,-0.7 1,-0.2 -2,-0.2 0.639 105.8 70.1 -68.1 -16.4 38.4 4.6 33.5 247 258 A A H >X S+ 0 0 18 -4,-1.0 4,-2.9 2,-0.2 3,-1.2 0.981 102.4 40.7 -62.3 -59.3 37.5 6.6 30.3 248 259 A S H 3X S+ 0 0 34 -4,-1.0 4,-2.0 1,-0.3 5,-0.3 0.869 110.8 58.7 -54.0 -43.1 39.8 9.5 31.2 249 260 A D H 3< S+ 0 0 58 -4,-1.4 4,-0.5 1,-0.2 -1,-0.3 0.718 112.6 40.7 -64.1 -21.1 42.5 7.1 32.4 250 261 A V H S+ 0 0 171 -4,-0.5 4,-1.2 -3,-0.4 -2,-0.2 0.953 114.9 41.0 -64.4 -48.2 46.9 6.3 28.3 254 265 A L H X S+ 0 0 48 -4,-3.7 4,-2.8 2,-0.2 3,-0.3 0.943 110.6 55.7 -65.1 -52.4 46.2 6.2 24.6 255 266 A S H X S+ 0 0 20 -4,-1.4 4,-2.1 -5,-0.4 5,-0.2 0.857 110.5 44.8 -52.3 -42.6 47.3 9.8 23.8 256 267 A F H X S+ 0 0 72 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.819 115.0 49.0 -73.7 -29.1 50.8 9.3 25.3 257 268 A L H X S+ 0 0 120 -4,-1.2 4,-1.7 -3,-0.3 -2,-0.2 0.823 112.9 48.1 -74.6 -32.8 51.1 5.9 23.6 258 269 A M H X S+ 0 0 18 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.877 115.4 42.9 -76.0 -36.0 50.1 7.5 20.3 259 270 A L H X S+ 0 0 14 -4,-2.1 4,-2.9 -5,-0.2 -2,-0.2 0.826 111.8 54.2 -79.6 -32.6 52.5 10.4 20.6 260 271 A G H X S+ 0 0 37 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.920 110.9 49.5 -59.8 -43.6 55.2 8.1 21.8 261 272 A W H X S+ 0 0 64 -4,-1.7 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0.842 126.2 42.9-106.2 -71.2 46.9 33.3 14.9 306 317 A T H >5S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.924 120.2 42.4 -47.9 -58.4 48.3 35.0 17.9 307 318 A V H > S+ 0 0 0 -6,-0.5 4,-2.0 -5,-0.3 -2,-0.2 0.950 114.5 46.0 -64.5 -50.0 42.8 34.4 17.9 309 320 A Y H X S+ 0 0 0 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.874 112.5 52.8 -59.0 -37.9 44.7 31.8 20.0 310 321 A W H X S+ 0 0 2 -4,-2.6 4,-2.8 -5,-0.4 -1,-0.2 0.883 104.9 52.5 -72.0 -41.1 45.1 34.4 22.8 311 322 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.934 110.6 50.5 -50.4 -48.9 41.4 35.2 22.9 312 323 A W H X S+ 0 0 14 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.941 110.1 48.2 -59.2 -46.3 41.0 31.5 23.3 313 324 A W H < S+ 0 0 12 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.865 109.9 54.0 -62.8 -36.2 43.5 31.4 26.1 314 325 A V H >< S+ 0 0 1 -4,-2.8 3,-1.4 1,-0.2 4,-0.3 0.927 106.8 51.8 -59.6 -47.1 41.6 34.4 27.6 315 326 A I H 3< S+ 0 0 1 -4,-2.6 4,-0.4 1,-0.3 -2,-0.2 0.924 112.1 42.6 -60.5 -50.1 38.3 32.4 27.6 316 327 A Y T 3X S+ 0 0 49 -4,-1.9 4,-1.3 -5,-0.1 -1,-0.3 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0.064 62.1-119.0 -62.0 153.7 51.5 24.5 47.6 332 343 A T > - 0 0 14 -265,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.399 31.2-111.0 -74.2 165.0 53.4 27.8 48.0 333 344 A V H > S+ 0 0 0 -270,-0.4 4,-2.4 2,-0.2 -269,-0.2 0.946 122.4 46.1 -63.3 -48.9 52.6 30.6 45.5 334 345 A R H > S+ 0 0 83 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.883 108.4 58.1 -57.5 -42.3 56.0 30.2 43.8 335 346 A E H > S+ 0 0 62 2,-0.2 4,-3.2 1,-0.2 3,-0.3 0.961 108.6 43.8 -53.0 -56.7 55.5 26.4 43.8 336 347 A L H X S+ 0 0 1 -4,-2.1 4,-3.0 1,-0.2 5,-0.4 0.947 110.8 56.0 -53.5 -52.5 52.2 26.7 41.8 337 348 A C H X S+ 0 0 0 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.837 119.3 31.5 -49.9 -42.2 53.9 29.2 39.5 338 349 A F H X S+ 0 0 90 -4,-2.3 4,-2.7 -3,-0.3 3,-0.3 0.966 117.2 53.9 -78.6 -63.4 56.6 26.8 38.6 339 350 A G H X S+ 0 0 7 -4,-3.2 4,-2.6 1,-0.2 5,-0.3 0.828 110.2 47.1 -37.8 -52.0 54.8 23.5 38.9 340 351 A M H X S+ 0 0 0 -4,-3.0 4,-3.4 -5,-0.3 5,-0.4 0.926 113.9 45.3 -65.7 -47.7 52.1 24.6 36.5 341 352 A V H X S+ 0 0 15 -4,-0.9 4,-2.8 -5,-0.4 5,-0.3 0.954 118.8 43.2 -60.0 -52.2 54.3 26.0 33.8 342 353 A L H X S+ 0 0 111 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.991 120.3 41.1 -53.9 -70.2 56.7 23.0 34.0 343 354 A G H X S+ 0 0 8 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.872 123.1 38.4 -41.8 -56.9 53.9 20.4 34.1 344 355 A L H X S+ 0 0 3 -4,-3.4 4,-2.3 -5,-0.3 3,-0.2 0.911 115.3 50.8 -69.7 -45.8 51.7 22.1 31.5 345 356 A T H X S+ 0 0 17 -4,-2.8 4,-2.5 -5,-0.4 5,-0.3 0.783 107.3 57.4 -59.4 -30.2 54.4 23.3 29.1 346 357 A A H X S+ 0 0 37 -4,-2.3 4,-1.6 -5,-0.3 -1,-0.2 0.913 110.7 40.5 -68.6 -41.6 55.8 19.8 29.1 347 358 A S H X S+ 0 0 15 -4,-1.2 4,-1.6 -5,-0.2 -2,-0.2 0.900 118.3 46.7 -77.5 -37.7 52.6 18.2 27.9 348 359 A T H X S+ 0 0 8 -4,-2.3 4,-1.9 2,-0.2 5,-0.2 0.900 112.5 48.7 -72.9 -42.5 51.8 20.9 25.4 349 360 A W H X S+ 0 0 43 -4,-2.5 4,-2.7 -5,-0.2 5,-0.4 0.996 108.8 51.2 -62.1 -63.2 55.3 21.1 23.9 350 361 A I H X S+ 0 0 83 -4,-1.6 4,-2.5 -5,-0.3 5,-0.3 0.895 110.5 53.6 -37.6 -51.5 55.7 17.3 23.4 351 362 A L H X S+ 0 0 13 -4,-1.6 4,-2.2 1,-0.2 5,-0.5 0.955 113.9 36.0 -51.7 -69.4 52.3 17.4 21.6 352 363 A W H X S+ 0 0 4 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.752 117.3 51.8 -62.0 -31.5 53.0 20.1 19.0 353 364 A T H X S+ 0 0 8 -4,-2.7 4,-1.8 -5,-0.2 5,-0.3 0.926 115.8 41.9 -70.8 -39.8 56.6 19.2 18.4 354 365 A V H X S+ 0 0 4 -4,-2.5 4,-2.2 -5,-0.4 3,-0.3 0.995 123.4 33.8 -69.4 -64.2 55.7 15.5 17.8 355 366 A L H X S+ 0 0 0 -4,-2.2 4,-1.3 -5,-0.3 -1,-0.2 0.817 122.8 49.6 -58.4 -34.3 52.6 15.9 15.7 356 367 A G H X S+ 0 0 3 -4,-1.1 4,-1.9 -5,-0.5 -1,-0.2 0.736 108.6 49.2 -85.8 -26.1 53.9 19.0 14.1 357 368 A S H X S+ 0 0 0 -4,-1.8 4,-3.1 -3,-0.3 5,-0.2 0.949 109.2 54.2 -68.3 -55.7 57.3 17.7 13.1 358 369 A N H X S+ 0 0 3 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.848 109.8 48.5 -43.2 -42.7 55.6 14.7 11.6 359 370 A T H X S+ 0 0 2 -4,-1.3 4,-2.7 -5,-0.2 5,-0.3 0.974 110.4 49.5 -64.2 -52.4 53.5 17.1 9.5 360 371 A L H X S+ 0 0 10 -4,-1.9 4,-3.2 1,-0.2 -2,-0.2 0.904 109.7 52.3 -54.6 -46.4 56.6 19.1 8.4 361 372 A L H X S+ 0 0 16 -4,-3.1 4,-1.3 2,-0.2 -1,-0.2 0.962 110.6 47.6 -51.0 -58.5 58.4 15.9 7.4 362 373 A L H <>S+ 0 0 14 -4,-1.9 5,-1.3 -5,-0.2 6,-0.9 0.938 115.3 44.3 -47.2 -56.6 55.5 14.8 5.2 363 374 A I H <5S+ 0 0 25 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.932 117.6 48.2 -57.1 -42.2 55.1 18.3 3.6 364 375 A D H <5S+ 0 0 83 -4,-3.2 -2,-0.2 -5,-0.3 -3,-0.2 0.989 106.4 47.8 -67.1 -82.2 58.9 18.5 3.1 365 376 A K T <5S- 0 0 116 -4,-1.3 2,-2.3 1,-0.1 3,-0.5 -0.483 108.5-104.6 -58.3 128.7 60.0 15.2 1.5 366 377 A N T 5S+ 0 0 130 1,-0.2 -1,-0.1 -2,-0.2 -3,-0.1 -0.347 84.0 122.0 -64.6 77.5 57.4 14.8 -1.2 367 378 A I S + 0 0 47 -2,-3.0 4,-4.9 2,-0.2 5,-0.5 0.880 43.0 75.7 -96.1 -46.8 48.5 16.8 -0.4 371 382 A P H > S+ 0 0 8 0, 0.0 4,-1.4 0, 0.0 11,-0.1 0.862 104.2 44.3 -42.8 -57.0 47.7 19.5 2.3 372 383 A N H 4 S+ 0 0 92 1,-0.2 3,-0.4 2,-0.2 -2,-0.2 0.934 126.0 33.6 -43.0 -56.1 47.8 22.2 -0.3 373 384 A L H >4 S+ 0 0 118 -4,-0.5 3,-2.0 1,-0.2 -1,-0.2 0.902 111.7 60.5 -71.9 -44.3 45.7 20.0 -2.7 374 385 A I H >< S+ 0 0 7 -4,-4.9 3,-2.2 1,-0.3 -1,-0.2 0.661 83.9 79.9 -65.2 -15.1 43.5 18.2 -0.2 375 386 A E G >< S+ 0 0 41 -4,-1.4 3,-0.5 -5,-0.5 -1,-0.3 0.548 74.4 78.5 -65.6 -5.8 42.1 21.6 1.0 376 387 A Q G < S+ 0 0 144 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.440 112.0 20.9 -86.2 -1.5 40.0 21.2 -2.1 377 388 A Y G < S- 0 0 131 -3,-2.2 -1,-0.3 1,-0.3 5,-0.1 -0.423 130.1 -25.9-156.4 93.8 38.0 18.8 0.1 378 389 A G <> - 0 0 33 -3,-0.5 4,-1.1 3,-0.1 -1,-0.3 0.591 28.9-146.1 90.3 128.5 38.5 19.3 3.9 379 390 A V H > S+ 0 0 28 2,-0.2 4,-1.9 -4,-0.1 -3,-0.1 0.897 111.8 55.8 -73.3 -59.0 41.1 20.6 6.3 380 391 A A H > S+ 0 0 14 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.793 103.9 58.7 -36.8 -39.1 39.9 17.9 8.7 381 392 A R H >> S+ 0 0 34 2,-0.2 4,-1.7 1,-0.2 3,-1.5 0.991 102.8 47.1 -54.1 -72.3 40.8 15.6 5.8 382 393 A A H 3X S+ 0 0 3 -4,-1.1 4,-2.6 1,-0.3 -2,-0.2 0.795 105.3 63.1 -38.2 -42.4 44.5 16.6 5.5 383 394 A I H 3X S+ 0 0 0 -4,-1.9 4,-0.9 1,-0.2 -1,-0.3 0.900 106.4 41.8 -61.7 -41.9 44.9 16.2 9.2 384 395 A I H < S+ 0 0 0 -4,-0.9 3,-1.4 -5,-0.1 -2,-0.2 0.950 115.3 56.3 -70.9 -51.4 47.9 10.3 10.6 388 399 A A H 3< S+ 0 0 9 -4,-4.7 2,-0.3 1,-0.3 -2,-0.2 0.874 91.8 68.1 -46.1 -54.2 47.3 8.0 7.6 389 400 A A T 3< S+ 0 0 33 -4,-3.4 -1,-0.3 -5,-0.1 -2,-0.1 0.371 86.7 103.5 -52.8 8.0 50.8 8.5 6.1 390 401 A L S < S- 0 0 10 -3,-1.4 3,-0.4 -2,-0.3 7,-0.1 -0.599 83.1 -85.6-101.2 156.2 52.2 6.6 9.1 391 402 A P S S+ 0 0 64 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 -0.245 115.8 19.8 -52.6 143.7 53.5 3.0 9.6 392 403 A L S > S- 0 0 121 1,-0.2 4,-1.8 3,-0.1 2,-1.3 0.933 82.1-166.8 47.3 53.2 50.8 0.4 10.5 393 404 A S T 4 S+ 0 0 35 -3,-0.4 -1,-0.2 1,-0.2 -3,-0.0 0.211 77.5 51.3 -55.8 18.0 48.4 2.9 9.0 394 405 A T T > S+ 0 0 99 -2,-1.3 4,-1.9 3,-0.1 5,-0.2 0.673 105.2 46.5-117.2 -57.4 45.6 0.8 10.5 395 406 A A H > S+ 0 0 70 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.847 119.5 45.6 -56.0 -38.1 46.5 0.4 14.2 396 407 A T H X S+ 0 0 2 -4,-1.8 4,-3.2 2,-0.2 5,-0.3 0.998 110.0 49.8 -64.3 -71.8 47.3 4.1 14.3 397 408 A M H > S+ 0 0 4 1,-0.3 4,-1.0 2,-0.2 -2,-0.2 0.658 115.7 46.7 -45.6 -25.5 44.2 5.4 12.5 398 409 A W H X S+ 0 0 122 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.908 111.6 48.9 -75.7 -55.2 42.1 3.3 14.9 399 410 A G H X S+ 0 0 11 -4,-2.4 4,-2.2 -5,-0.2 5,-0.3 0.858 113.9 49.2 -48.2 -39.0 44.1 4.5 17.8 400 411 A F H X S+ 0 0 4 -4,-3.2 4,-1.1 2,-0.2 -1,-0.2 0.824 111.8 46.6 -73.1 -35.2 43.4 8.0 16.3 401 412 A F H X S+ 0 0 30 -4,-1.0 4,-1.0 -5,-0.3 -2,-0.2 0.913 118.9 40.3 -70.4 -46.4 39.7 7.4 15.9 402 413 A I H >X S+ 0 0 54 -4,-3.2 4,-2.4 2,-0.2 3,-0.7 0.964 118.9 44.0 -67.1 -56.1 39.2 5.9 19.4 403 414 A L H 3< S+ 0 0 5 -4,-2.2 4,-0.3 -5,-0.3 -1,-0.2 0.842 117.4 48.9 -56.4 -35.5 41.5 8.4 21.3 404 415 A C H 3X S+ 0 0 0 -4,-1.1 4,-0.8 -5,-0.3 -1,-0.3 0.710 116.3 43.1 -75.9 -24.3 39.9 11.1 19.2 405 416 A F H XX S+ 0 0 52 -4,-1.0 4,-2.1 -3,-0.7 3,-0.9 0.951 114.5 43.1 -86.2 -67.5 36.4 9.9 20.1 406 417 A I H 3X S+ 0 0 36 -4,-2.4 4,-0.5 1,-0.3 -155,-0.2 0.469 109.1 64.4 -65.1 -0.3 36.5 9.1 23.8 407 418 A A H 3> S+ 0 0 2 -5,-0.3 4,-1.3 -4,-0.3 -1,-0.3 0.899 108.3 37.1 -79.9 -51.8 38.4 12.3 24.2 408 419 A T H X S+ 0 0 41 -4,-0.9 4,-1.9 -5,-0.2 3,-1.5 0.944 111.6 50.3 -78.1 -53.0 30.3 15.7 29.9 414 425 A A H 3X S+ 0 0 49 -4,-2.2 4,-1.9 1,-0.3 -2,-0.2 0.777 115.9 44.2 -60.2 -29.9 32.9 17.6 32.1 415 426 A C H 3< S+ 0 0 15 -4,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.226 108.9 54.5-106.7 12.6 31.9 20.9 30.5 416 427 A S H <> S+ 0 0 2 -3,-1.5 4,-0.8 -5,-0.1 -2,-0.2 0.542 110.6 49.0-102.2 -27.3 28.2 20.3 30.7 417 428 A Y H >X S+ 0 0 60 -4,-1.9 4,-2.8 2,-0.2 3,-1.4 0.970 112.6 45.6 -64.6 -58.9 28.8 19.6 34.4 418 429 A T H 3X S+ 0 0 24 -4,-1.9 4,-0.8 1,-0.3 -3,-0.2 0.819 113.8 52.2 -52.3 -32.1 30.8 22.9 34.7 419 430 A L H 34 S+ 0 0 2 2,-0.2 -1,-0.3 1,-0.1 -2,-0.2 0.709 112.1 44.6 -79.9 -21.9 28.0 24.5 32.7 420 431 A A H X< S+ 0 0 5 -3,-1.4 3,-2.2 -4,-0.8 -2,-0.2 0.879 106.2 56.5 -87.9 -47.6 25.3 23.1 35.1 421 432 A M H >< S+ 0 0 49 -4,-2.8 3,-0.7 1,-0.3 -262,-0.2 0.774 100.4 62.9 -51.6 -29.5 27.1 24.0 38.4 422 433 A S T 3< S+ 0 0 9 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.587 108.8 40.6 -76.1 -11.2 27.2 27.6 37.1 423 434 A T T < S+ 0 0 12 -3,-2.2 2,-0.3 2,-0.1 -1,-0.3 -0.470 105.1 86.5-132.5 61.6 23.3 27.7 37.1 424 435 A C S < S- 0 0 33 -3,-0.7 -3,-0.0 10,-0.0 -265,-0.0 -0.960 81.5 -63.9-156.5 163.4 22.5 25.9 40.3 425 436 A R - 0 0 161 -2,-0.3 6,-0.1 1,-0.1 -2,-0.1 -0.253 42.9-136.0 -50.8 138.7 21.8 25.8 44.1 426 437 A E S S+ 0 0 121 1,-0.1 -1,-0.1 -268,-0.1 -267,-0.1 0.887 79.0 82.9 -70.3 -43.7 25.0 26.7 46.1 427 438 A V S S- 0 0 143 2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.765 99.9 -21.4 -36.1 -78.4 24.9 24.0 49.0 428 439 A R S S- 0 0 155 1,-0.3 2,-0.1 -3,-0.0 0, 0.0 0.273 77.8 -78.6-111.3-130.7 26.5 20.8 47.7 429 440 A D S S- 0 0 62 1,-0.0 2,-3.0 5,-0.0 -1,-0.3 -0.043 90.2 -11.1-114.5-141.3 27.2 19.2 44.2 430 441 A G S S+ 0 0 30 1,-0.1 -1,-0.0 3,-0.1 -9,-0.0 -0.349 88.3 148.1 -60.9 69.5 25.1 17.3 41.7 431 442 A E - 0 0 106 -2,-3.0 -1,-0.1 -6,-0.1 0, 0.0 0.663 62.6 -40.5 -78.7-126.9 22.2 16.9 44.1 432 443 A E S S+ 0 0 170 1,-0.1 -2,-0.0 3,-0.0 0, 0.0 0.991 132.6 39.3 -74.8 -65.7 18.4 16.8 43.3 433 444 A P S S+ 0 0 79 0, 0.0 2,-1.4 0, 0.0 4,-0.5 0.850 87.7 94.8 -51.7 -43.3 18.0 19.5 40.5 434 445 A P + 0 0 21 0, 0.0 2,-0.0 0, 0.0 -13,-0.0 -0.297 68.3 80.8 -64.9 90.6 21.2 18.9 38.5 435 446 A L S >> S+ 0 0 98 -2,-1.4 4,-1.7 -15,-0.1 3,-1.1 0.023 89.7 26.1-147.8-104.8 19.8 16.5 35.9 436 447 A L T 34 S+ 0 0 140 1,-0.3 4,-0.5 2,-0.2 5,-0.0 0.566 117.9 69.5 -51.9 -9.6 17.8 17.5 32.8 437 448 A V T >> S+ 0 0 38 -4,-0.5 4,-1.7 2,-0.2 3,-0.5 0.950 101.6 38.6 -71.0 -58.1 19.8 20.7 33.2 438 449 A R H <> S+ 0 0 29 -3,-1.1 4,-1.5 1,-0.2 -2,-0.2 0.914 116.0 53.6 -56.8 -46.0 23.2 19.1 32.3 439 450 A I H 3X S+ 0 0 41 -4,-1.7 4,-0.9 1,-0.2 -1,-0.2 0.697 107.9 52.1 -66.1 -21.0 21.5 17.0 29.6 440 451 A G H <> S+ 0 0 28 -3,-0.5 4,-1.4 -4,-0.5 -1,-0.2 0.900 105.6 49.7 -83.4 -46.1 20.0 20.1 28.0 441 452 A W H X S+ 0 0 9 -4,-1.7 4,-3.3 2,-0.2 5,-0.2 0.756 102.8 64.5 -65.1 -28.2 23.2 22.2 27.7 442 453 A S H X S+ 0 0 8 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.967 104.3 45.5 -49.8 -56.1 24.7 19.2 26.0 443 454 A I H X S+ 0 0 81 -4,-0.9 4,-1.7 1,-0.2 -2,-0.2 0.841 114.3 50.7 -56.6 -36.7 22.1 19.7 23.3 444 455 A L H X S+ 0 0 18 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.906 110.1 45.7 -72.6 -46.0 23.0 23.4 23.3 445 456 A V H X S+ 0 0 12 -4,-3.3 4,-1.8 1,-0.2 3,-0.4 0.966 116.0 48.6 -57.7 -52.9 26.8 23.1 23.0 446 457 A G H X S+ 0 0 4 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.814 106.6 54.7 -58.4 -38.0 26.3 20.5 20.2 447 458 A I H X S+ 0 0 72 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.853 108.5 47.5 -73.2 -32.2 23.8 22.6 18.2 448 459 A I H X S+ 0 0 2 -4,-1.6 4,-2.0 -3,-0.4 -1,-0.2 0.864 105.6 65.9 -67.1 -35.4 26.2 25.5 18.1 449 460 A G H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.908 108.0 34.6 -48.9 -54.9 28.8 22.9 17.0 450 461 A I H X S+ 0 0 43 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.832 108.3 67.8 -71.7 -35.8 27.0 22.0 13.7 451 462 A V H X S+ 0 0 21 -4,-1.6 4,-1.0 2,-0.2 -2,-0.2 0.906 105.7 43.3 -46.0 -44.1 25.9 25.6 13.3 452 463 A L H >X S+ 0 0 14 -4,-2.0 4,-2.0 2,-0.2 3,-1.2 0.965 112.0 51.2 -69.8 -51.4 29.6 26.4 12.8 453 464 A L H 3< S+ 0 0 35 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.773 103.9 60.0 -57.0 -31.4 30.3 23.4 10.5 454 465 A A H 3< S+ 0 0 37 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.854 108.3 43.6 -61.1 -38.2 27.3 24.5 8.4 455 466 A L H << S- 0 0 19 -3,-1.2 -2,-0.3 -4,-1.0 -1,-0.2 0.734 98.0-168.3 -80.9 -28.5 29.2 27.8 7.8 456 467 A G < + 0 0 54 -4,-2.0 -3,-0.1 -6,-0.2 -4,-0.1 0.304 36.6 113.9 68.5 -1.7 32.2 25.6 7.3 457 468 A G S S- 0 0 41 -5,-0.3 4,-0.2 1,-0.1 -1,-0.1 -0.073 74.8-119.9 -78.1-171.7 35.2 28.0 7.3 458 469 A L S >> S+ 0 0 45 2,-0.1 4,-2.3 -3,-0.1 3,-0.6 0.627 112.0 67.9 -89.8 -28.4 37.9 28.2 9.9 459 470 A K H 3>>S+ 0 0 50 1,-0.2 4,-3.8 2,-0.2 5,-0.6 0.899 87.8 61.3 -52.7 -50.1 36.7 31.8 10.4 460 471 A P H 3>5S+ 0 0 4 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.864 114.9 35.6 -46.1 -43.3 33.3 30.7 12.0 461 472 A I H <>5S+ 0 0 5 -3,-0.6 4,-1.5 2,-0.2 -2,-0.2 0.799 117.8 53.7 -81.4 -31.7 35.3 29.1 14.8 462 473 A Q H X5S+ 0 0 32 -4,-2.3 4,-2.3 2,-0.2 3,-0.3 0.965 112.2 41.4 -66.4 -54.5 38.0 31.7 14.8 463 474 A T H X5S+ 0 0 13 -4,-3.8 4,-3.1 1,-0.2 5,-0.4 0.830 108.2 64.4 -62.7 -32.5 35.6 34.7 15.2 464 475 A A H X> S+ 0 0 29 0, 0.0 3,-1.9 0, 0.0 4,-1.2 0.978 117.0 57.4 -42.1 -65.3 34.4 40.6 26.8 472 483 A L H 3X S+ 0 0 2 -4,-1.3 4,-2.2 1,-0.3 -2,-0.2 0.561 89.4 72.4 -63.5 -10.9 36.3 38.1 28.9 473 484 A F H 3X S+ 0 0 38 -4,-2.2 4,-2.4 -3,-0.5 -1,-0.3 0.959 107.5 38.4 -55.5 -53.4 39.5 40.1 28.6 474 485 A F H X S+ 0 0 53 -4,-3.2 4,-2.7 2,-0.2 3,-0.5 0.989 105.9 48.2 -57.7 -68.6 38.4 42.2 36.9 479 490 A V H 3X S+ 0 0 2 -4,-2.4 4,-0.9 1,-0.3 -1,-0.2 0.777 117.1 46.4 -43.2 -32.9 38.7 38.8 38.8 480 491 A T H 3X S+ 0 0 9 -4,-1.9 4,-1.8 2,-0.2 -1,-0.3 0.884 113.2 45.1 -84.3 -39.0 42.5 39.5 39.1 481 492 A L H X S+ 0 0 4 -4,-0.9 4,-2.3 -5,-0.3 3,-0.8 0.950 117.3 39.0 -64.7 -84.4 41.6 41.9 48.8 487 498 A A H 3< S+ 0 0 0 -4,-1.6 4,-0.4 1,-0.2 -2,-0.2 0.760 107.4 72.5 -31.1 -42.2 44.9 39.9 49.4 488 499 A K H >< S+ 0 0 129 -4,-4.1 3,-0.7 -5,-0.3 -1,-0.2 0.925 115.5 15.8 -41.8 -70.9 46.6 43.3 49.6 489 500 A Q H << S+ 0 0 130 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.711 121.9 67.1 -82.2 -21.6 45.4 44.3 52.9 490 501 A N T 3< S+ 0 0 50 -4,-2.3 -1,-0.2 -5,-0.2 2,-0.2 0.119 98.5 54.3 -91.4 19.6 44.2 40.8 53.9 491 502 A W < + 0 0 21 -3,-0.7 -3,-0.0 -4,-0.4 -428,-0.0 -0.616 48.1 99.8-127.0-164.2 47.7 39.3 54.1 492 503 A K 0 0 121 -2,-0.2 -1,-0.1 1,-0.1 -4,-0.0 0.822 360.0 360.0 88.0 43.0 51.0 39.8 55.9 493 504 A D 0 0 161 -3,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.123 360.0 360.0 -39.5 360.0 50.7 37.3 58.8