==== 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 LIGASE 23-JAN-05 1WXG . COMPND 2 MOLECULE: NH(3)-DEPENDENT NAD(+) SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.JAUCH,A.HUMM,R.HUBER,M.C.WAHL . 255 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13828.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 7.1 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 . 19 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 43.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.7 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 1 0 0 0 1 2 1 0 0 1 1 0 0 0 1 0 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 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 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 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 2 A T > 0 0 110 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 158.5 1.9 20.9 19.6 2 3 A L H > + 0 0 46 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.863 360.0 59.8 -66.4 -34.6 1.1 24.3 18.1 3 4 A Q H > S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.926 105.9 46.0 -58.3 -47.8 4.6 25.4 19.0 4 5 A Q H > S+ 0 0 130 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.871 113.5 50.6 -64.1 -36.3 6.1 22.7 16.8 5 6 A Q H X S+ 0 0 125 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.869 112.1 45.9 -69.4 -39.6 3.6 23.6 14.0 6 7 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 6,-0.2 0.915 110.2 53.6 -70.0 -44.1 4.4 27.3 14.1 7 8 A I H X>S+ 0 0 31 -4,-2.6 5,-1.5 -5,-0.2 4,-0.7 0.900 111.4 46.4 -57.7 -41.6 8.2 26.7 14.2 8 9 A K H ><5S+ 0 0 181 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.932 110.6 52.2 -67.3 -44.9 7.9 24.5 11.1 9 10 A A H 3<5S+ 0 0 52 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.866 116.0 40.0 -59.9 -37.4 5.7 27.1 9.3 10 11 A L H 3<5S- 0 0 2 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.495 105.3-126.6 -92.7 -2.7 8.1 29.9 9.9 11 12 A G T <<5 + 0 0 41 -3,-0.8 -3,-0.2 -4,-0.7 -4,-0.1 0.726 49.0 164.3 66.0 24.9 11.3 27.8 9.3 12 13 A A < - 0 0 9 -5,-1.5 -1,-0.2 -6,-0.2 172,-0.1 -0.404 20.9-158.2 -76.3 149.1 12.9 28.7 12.6 13 14 A K - 0 0 98 170,-0.4 172,-0.2 -2,-0.1 3,-0.1 -0.958 24.1-127.7-128.8 147.5 15.8 26.7 14.0 14 15 A P S S+ 0 0 74 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.867 96.2 10.6 -58.7 -39.8 17.1 26.4 17.6 15 16 A Q - 0 0 160 -3,-0.0 2,-0.3 2,-0.0 173,-0.0 -0.995 69.0-172.7-143.1 145.2 20.6 27.4 16.6 16 17 A I - 0 0 23 -2,-0.3 2,-0.6 -3,-0.1 168,-0.0 -0.929 28.1-118.0-135.2 159.6 22.2 28.8 13.4 17 18 A N > - 0 0 85 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.901 23.2-147.5 -99.0 119.7 25.7 29.5 12.1 18 19 A A H > S+ 0 0 17 -2,-0.6 4,-2.4 1,-0.2 3,-0.3 0.938 94.4 43.2 -49.8 -62.0 26.0 33.2 11.4 19 20 A E H > S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.888 113.7 52.2 -55.2 -43.6 28.4 33.0 8.4 20 21 A E H > S+ 0 0 110 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.888 111.4 46.6 -62.4 -38.5 26.4 30.2 6.8 21 22 A E H X S+ 0 0 2 -4,-2.3 4,-2.3 -3,-0.3 5,-0.2 0.864 107.6 57.3 -71.8 -35.1 23.2 32.1 7.1 22 23 A I H X S+ 0 0 2 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.944 110.7 43.7 -58.4 -48.2 24.8 35.2 5.7 23 24 A R H X S+ 0 0 82 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.865 108.8 58.0 -66.7 -35.5 25.8 33.2 2.6 24 25 A R H X S+ 0 0 110 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.921 112.0 40.9 -60.8 -42.8 22.4 31.6 2.4 25 26 A S H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.915 116.9 47.5 -71.5 -43.8 20.7 35.0 2.2 26 27 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.939 113.1 47.9 -63.6 -46.3 23.2 36.6 -0.2 27 28 A D H X S+ 0 0 79 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.834 109.1 56.4 -63.3 -31.8 23.2 33.6 -2.5 28 29 A F H X S+ 0 0 88 -4,-1.3 4,-2.3 -5,-0.3 -1,-0.2 0.948 109.6 43.7 -63.4 -50.6 19.4 33.7 -2.5 29 30 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.900 114.7 49.9 -62.6 -42.6 19.4 37.3 -3.7 30 31 A K H X S+ 0 0 19 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.929 110.9 49.2 -62.6 -46.0 22.1 36.6 -6.3 31 32 A S H X S+ 0 0 67 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.907 110.0 51.4 -60.7 -43.5 20.2 33.6 -7.6 32 33 A Y H X S+ 0 0 89 -4,-2.3 4,-1.6 1,-0.2 3,-0.4 0.932 110.2 48.6 -60.9 -46.1 17.0 35.5 -7.9 33 34 A L H < S+ 0 0 10 -4,-2.1 6,-0.3 1,-0.2 -1,-0.2 0.823 110.3 51.1 -64.0 -32.6 18.6 38.4 -9.8 34 35 A Q H < S+ 0 0 109 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.729 110.5 50.0 -77.1 -20.5 20.3 35.9 -12.2 35 36 A T H < S+ 0 0 90 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.746 119.9 36.1 -85.4 -29.2 16.9 34.2 -12.9 36 37 A Y S >< S+ 0 0 96 -4,-1.6 3,-2.3 -5,-0.2 -1,-0.3 -0.647 72.4 175.7-124.3 71.4 15.2 37.5 -13.5 37 38 A P T 3 + 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.482 69.3 75.0 -58.5 -3.9 17.9 39.5 -15.4 38 39 A F T 3 S+ 0 0 140 -3,-0.0 2,-0.6 2,-0.0 -4,-0.1 0.641 74.7 95.0 -83.3 -12.1 15.5 42.5 -16.0 39 40 A I < + 0 0 6 -3,-2.3 113,-0.2 -6,-0.3 112,-0.1 -0.688 44.0 165.8 -80.3 121.2 15.9 43.4 -12.4 40 41 A K + 0 0 92 111,-3.2 36,-2.0 -2,-0.6 2,-0.3 0.509 56.5 44.5-112.0 -10.6 18.7 46.0 -12.1 41 42 A S E -ab 76 152A 4 110,-1.3 112,-1.5 34,-0.2 2,-0.5 -0.991 56.3-149.5-143.2 147.9 18.1 47.3 -8.6 42 43 A L E -ab 77 153A 0 34,-1.9 36,-3.4 -2,-0.3 2,-0.5 -0.960 23.7-159.5-110.6 126.0 17.4 46.2 -5.0 43 44 A V E +ab 78 154A 0 110,-2.5 112,-3.0 -2,-0.5 2,-0.4 -0.936 16.4 167.4-113.2 128.7 15.4 48.8 -3.1 44 45 A L E -a 79 0A 3 34,-2.1 36,-2.7 -2,-0.5 2,-0.4 -0.993 32.5-129.3-143.0 132.8 15.3 48.8 0.7 45 46 A G E -a 80 0A 18 110,-0.4 2,-0.5 -2,-0.4 36,-0.2 -0.664 26.3-151.9 -80.3 130.1 14.0 51.4 3.3 46 47 A I E +a 81 0A 10 34,-2.4 36,-0.6 -2,-0.4 45,-0.1 -0.901 25.3 167.1-107.6 130.5 16.7 52.1 5.9 47 48 A S - 0 0 89 -2,-0.5 44,-0.1 2,-0.2 -1,-0.1 0.414 54.8-109.2-119.5 -2.7 15.7 53.2 9.4 48 49 A G S S+ 0 0 7 1,-0.3 2,-0.2 43,-0.2 -2,-0.1 0.575 81.2 115.2 84.3 10.0 19.0 52.9 11.3 49 50 A G S > S- 0 0 26 154,-0.1 4,-1.6 1,-0.0 -1,-0.3 -0.480 80.6 -89.4-106.0 179.8 17.8 49.9 13.3 50 51 A Q H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.938 116.1 44.3 -52.1 -62.7 18.8 46.2 13.5 51 52 A D H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.915 116.3 42.0 -55.2 -54.1 16.6 44.7 10.8 52 53 A S H > S+ 0 0 6 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.796 114.3 53.7 -68.2 -25.4 17.0 47.2 7.9 53 54 A T H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.924 111.4 44.7 -73.4 -42.4 20.8 47.5 8.7 54 55 A L H X S+ 0 0 2 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.955 116.2 45.7 -64.5 -49.6 21.3 43.7 8.4 55 56 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.925 112.1 53.3 -59.4 -44.0 19.2 43.4 5.3 56 57 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.871 107.4 49.7 -59.3 -40.0 20.9 46.4 3.8 57 58 A K H X S+ 0 0 39 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.920 112.0 48.7 -66.4 -42.2 24.4 44.9 4.3 58 59 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.899 110.0 52.1 -64.6 -40.4 23.3 41.7 2.7 59 60 A C H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.925 110.4 46.8 -62.4 -45.9 21.8 43.5 -0.3 60 61 A Q H X S+ 0 0 5 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.875 111.2 52.6 -65.0 -36.6 25.0 45.5 -1.0 61 62 A M H X S+ 0 0 41 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.897 109.6 49.2 -64.7 -39.8 27.1 42.3 -0.6 62 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.921 113.9 45.0 -64.7 -45.3 24.9 40.6 -3.2 63 64 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.931 111.2 53.8 -65.3 -45.0 25.1 43.4 -5.6 64 65 A N H X S+ 0 0 75 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.921 112.3 44.1 -54.8 -48.3 28.9 43.8 -5.1 65 66 A E H X S+ 0 0 41 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.927 110.7 53.1 -65.7 -46.1 29.4 40.1 -5.9 66 67 A L H X S+ 0 0 3 -4,-2.4 4,-2.9 1,-0.2 5,-0.5 0.856 107.5 53.2 -58.2 -36.8 27.1 40.0 -8.9 67 68 A R H X S+ 0 0 61 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.947 112.3 42.9 -62.8 -50.6 28.9 43.0 -10.5 68 69 A L H < S+ 0 0 157 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.871 119.2 45.4 -63.2 -39.2 32.4 41.3 -10.2 69 70 A E H < S+ 0 0 114 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.880 127.7 23.6 -74.4 -40.8 31.0 38.0 -11.4 70 71 A T H < S- 0 0 72 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.696 91.6-132.2 -99.5 -23.9 28.9 39.2 -14.3 71 72 A G < + 0 0 59 -4,-2.6 2,-0.8 -5,-0.5 -4,-0.2 0.394 53.3 149.0 86.2 -3.9 30.6 42.5 -15.2 72 73 A N > - 0 0 66 -6,-0.4 3,-0.8 1,-0.2 -1,-0.3 -0.528 26.9-173.6 -69.8 106.2 27.2 44.2 -15.3 73 74 A E T 3 S+ 0 0 183 -2,-0.8 -1,-0.2 1,-0.2 -6,-0.1 0.531 73.8 71.5 -78.4 -6.4 27.9 47.8 -14.2 74 75 A S T 3 S+ 0 0 54 -7,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.618 71.5 102.7 -87.0 -12.5 24.2 48.7 -14.2 75 76 A L < + 0 0 14 -3,-0.8 2,-0.3 -12,-0.1 -34,-0.2 -0.422 49.8 167.4 -69.9 144.5 23.2 46.7 -11.1 76 77 A Q E -a 41 0A 49 -36,-2.0 -34,-1.9 -2,-0.1 2,-0.5 -0.989 37.2-131.3-161.9 151.4 22.8 48.7 -7.9 77 78 A F E -a 42 0A 0 -2,-0.3 25,-1.3 -36,-0.2 2,-0.6 -0.894 24.2-158.7-101.8 128.8 21.5 48.7 -4.4 78 79 A I E -ac 43 102A 0 -36,-3.4 -34,-2.1 -2,-0.5 2,-0.5 -0.926 1.6-162.1-114.4 111.7 19.3 51.7 -3.5 79 80 A A E -ac 44 103A 2 23,-2.9 25,-2.5 -2,-0.6 2,-0.5 -0.788 10.9-157.9 -90.3 131.3 18.9 52.6 0.2 80 81 A V E -ac 45 104A 0 -36,-2.7 -34,-2.4 -2,-0.5 2,-0.5 -0.946 8.0-156.2-117.9 120.0 15.9 54.8 0.8 81 82 A R E -ac 46 105A 51 23,-3.0 25,-2.9 -2,-0.5 -34,-0.1 -0.811 11.6-175.2 -90.1 129.7 15.6 57.0 3.9 82 83 A L + 0 0 12 -36,-0.6 25,-0.2 -2,-0.5 23,-0.1 -0.505 9.8 175.8-127.1 64.1 12.0 57.7 4.6 83 84 A P - 0 0 34 0, 0.0 25,-1.6 0, 0.0 2,-0.9 -0.325 30.3-135.3 -71.0 150.1 11.8 60.2 7.5 84 85 A Y S S- 0 0 62 23,-0.2 2,-0.5 24,-0.2 23,-0.1 -0.889 75.4 -48.9-103.3 97.3 8.5 61.7 8.7 85 86 A G 0 0 19 -2,-0.9 24,-0.1 1,-0.1 25,-0.0 -0.631 360.0 360.0 77.1-121.2 9.4 65.3 9.1 86 87 A V 0 0 139 -2,-0.5 -1,-0.1 -3,-0.0 -2,-0.1 0.717 360.0 360.0-118.2 360.0 12.7 65.6 11.0 87 ! 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 88 91 A E 0 0 154 0, 0.0 4,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 31.9 18.9 60.1 13.9 89 92 A Q > + 0 0 129 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.567 360.0 74.1 -89.2 -15.2 22.8 60.0 13.7 90 93 A D H > S+ 0 0 76 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.817 88.4 58.1 -66.4 -33.4 22.3 56.2 13.7 91 94 A C H > S+ 0 0 16 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.893 105.6 49.0 -65.6 -39.6 21.1 56.3 10.1 92 95 A Q H > S+ 0 0 88 -4,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.922 111.8 49.1 -64.6 -44.2 24.4 57.9 9.1 93 96 A D H X S+ 0 0 53 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.916 110.2 51.1 -60.4 -44.6 26.3 55.2 11.0 94 97 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.909 110.5 49.3 -59.1 -43.6 24.2 52.5 9.3 95 98 A I H X S+ 0 0 31 -4,-2.3 4,-3.4 1,-0.2 -1,-0.2 0.907 108.9 51.9 -62.3 -43.9 24.9 54.0 5.9 96 99 A A H < S+ 0 0 73 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.838 112.7 47.2 -62.5 -32.4 28.7 54.2 6.7 97 100 A F H < S+ 0 0 24 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.870 118.2 39.5 -76.1 -39.4 28.5 50.5 7.6 98 101 A I H < S- 0 0 2 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.848 84.7-155.9 -79.1 -36.7 26.5 49.4 4.6 99 102 A Q < - 0 0 146 -4,-3.4 -3,-0.1 -5,-0.2 -4,-0.1 0.968 22.7-160.1 55.3 56.2 28.3 51.6 2.0 100 103 A P - 0 0 21 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.277 23.7-125.6 -67.1 152.1 25.3 51.6 -0.3 101 104 A D S S+ 0 0 57 -24,-0.4 2,-0.3 1,-0.2 -23,-0.2 0.870 92.9 9.6 -64.7 -37.0 25.6 52.4 -4.0 102 105 A R E -c 78 0A 106 -25,-1.3 -23,-2.9 2,-0.0 2,-0.4 -0.999 61.2-160.9-148.0 143.2 22.9 55.0 -3.8 103 106 A V E -c 79 0A 55 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.984 10.3-172.9-128.2 118.7 21.0 56.8 -1.0 104 107 A L E -c 80 0A 51 -25,-2.5 -23,-3.0 -2,-0.4 2,-0.6 -0.913 10.5-152.3-111.5 139.1 17.7 58.6 -1.7 105 108 A T E +c 81 0A 89 -2,-0.4 2,-0.5 -25,-0.2 -23,-0.2 -0.946 15.6 177.3-116.4 115.8 15.9 60.6 0.9 106 109 A V - 0 0 52 -25,-2.9 2,-0.8 -2,-0.6 36,-0.1 -0.963 19.4-148.8-120.6 116.6 12.2 60.9 0.7 107 110 A N - 0 0 81 -2,-0.5 3,-0.4 -25,-0.2 4,-0.3 -0.749 9.7-170.4 -87.8 113.8 10.3 62.8 3.3 108 111 A I > + 0 0 2 -25,-1.6 4,-2.2 -2,-0.8 5,-0.2 0.444 61.7 94.5 -83.7 -0.9 6.8 61.3 3.6 109 112 A K H > S+ 0 0 90 -26,-0.5 4,-2.5 1,-0.2 5,-0.3 0.915 81.1 52.9 -58.2 -48.4 5.3 64.0 5.9 110 113 A G H > S+ 0 0 53 -3,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.902 112.3 44.4 -55.5 -44.8 3.8 66.0 3.1 111 114 A A H > S+ 0 0 36 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.906 112.5 51.1 -68.3 -42.9 1.9 63.0 1.6 112 115 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.894 110.8 48.2 -62.5 -40.8 0.7 61.7 4.9 113 116 A L H X S+ 0 0 85 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.870 111.4 51.8 -67.6 -34.4 -0.7 65.1 5.9 114 117 A A H X S+ 0 0 61 -4,-1.6 4,-2.1 -5,-0.3 -2,-0.2 0.915 109.2 49.0 -67.0 -43.0 -2.4 65.3 2.5 115 118 A S H X S+ 0 0 51 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.918 112.2 49.4 -63.2 -41.6 -4.0 61.9 2.9 116 119 A E H X S+ 0 0 9 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.842 108.2 52.5 -68.0 -31.8 -5.2 62.9 6.4 117 120 A Q H X S+ 0 0 76 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.929 108.9 49.7 -69.3 -44.0 -6.7 66.1 5.2 118 121 A A H X S+ 0 0 62 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.900 114.2 46.0 -60.2 -41.7 -8.7 64.4 2.5 119 122 A L H X>S+ 0 0 68 -4,-1.9 5,-2.7 2,-0.2 4,-0.9 0.905 109.8 53.8 -68.4 -42.2 -10.0 61.9 5.0 120 123 A R H ><5S+ 0 0 91 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.919 106.0 52.3 -58.4 -46.5 -10.8 64.6 7.6 121 124 A E H 3<5S+ 0 0 150 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.791 108.0 52.7 -62.7 -25.8 -12.9 66.5 5.1 122 125 A A H 3<5S- 0 0 84 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.672 129.8 -95.8 -82.0 -19.1 -14.9 63.3 4.3 123 126 A G T <<5S+ 0 0 59 -3,-1.0 2,-0.6 -4,-0.9 -3,-0.2 0.493 86.6 119.5 117.0 8.2 -15.6 62.8 8.0 124 127 A I < - 0 0 93 -5,-2.7 2,-0.4 -6,-0.1 -1,-0.2 -0.911 36.8-173.5-112.9 113.9 -12.8 60.4 9.1 125 128 A E - 0 0 128 -2,-0.6 2,-0.2 -5,-0.1 -8,-0.0 -0.870 22.0-133.2-101.8 134.4 -10.3 61.5 11.8 126 129 A L - 0 0 35 -2,-0.4 2,-0.2 -10,-0.1 -10,-0.0 -0.593 6.0-132.8 -90.8 150.9 -7.4 59.1 12.4 127 130 A S > - 0 0 62 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.624 33.7-107.7 -90.8 157.4 -6.1 58.0 15.8 128 131 A D H > S+ 0 0 136 1,-0.2 4,-1.6 -2,-0.2 -1,-0.1 0.869 121.2 57.7 -54.5 -34.9 -2.3 58.1 16.3 129 132 A F H > S+ 0 0 158 1,-0.2 4,-1.0 2,-0.2 3,-0.2 0.935 108.7 42.1 -60.4 -50.6 -2.4 54.3 16.0 130 133 A V H > S+ 0 0 62 1,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.829 108.8 60.1 -68.2 -31.4 -4.0 54.3 12.6 131 134 A R H X S+ 0 0 41 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.864 99.1 59.5 -63.9 -33.2 -1.8 57.1 11.4 132 135 A G H X S+ 0 0 31 -4,-1.6 4,-1.8 -3,-0.2 -1,-0.2 0.889 106.2 45.1 -61.7 -40.8 1.2 54.9 12.2 133 136 A N H X S+ 0 0 43 -4,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.852 109.4 56.7 -71.6 -32.8 -0.0 52.3 9.7 134 137 A E H X S+ 0 0 28 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.892 106.0 50.7 -63.3 -39.9 -0.7 55.0 7.2 135 138 A K H X S+ 0 0 57 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.934 108.8 51.5 -63.1 -45.7 2.9 56.1 7.5 136 139 A A H X S+ 0 0 14 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.888 110.4 48.9 -59.0 -40.2 4.0 52.5 6.9 137 140 A R H X S+ 0 0 91 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.823 107.4 53.7 -71.6 -30.3 1.9 52.3 3.8 138 141 A E H X S+ 0 0 25 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.884 107.9 51.9 -70.0 -35.4 3.3 55.6 2.4 139 142 A R H X S+ 0 0 82 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.887 109.3 49.7 -65.7 -38.0 6.7 54.2 2.9 140 143 A M H X S+ 0 0 45 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.961 110.1 51.1 -63.3 -50.2 5.7 51.1 0.9 141 144 A K H X S+ 0 0 103 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.903 109.9 49.7 -53.2 -46.8 4.2 53.4 -1.9 142 145 A A H X S+ 0 0 12 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.936 111.0 47.7 -59.4 -51.0 7.5 55.4 -2.1 143 146 A Q H X S+ 0 0 22 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.882 111.7 50.6 -60.9 -39.2 9.7 52.3 -2.4 144 147 A Y H X S+ 0 0 72 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.858 108.6 51.6 -69.4 -32.3 7.5 50.7 -5.1 145 148 A S H X S+ 0 0 81 -4,-2.0 4,-1.3 -5,-0.2 -2,-0.2 0.904 112.0 47.4 -67.6 -39.7 7.5 54.0 -7.1 146 149 A I H X S+ 0 0 24 -4,-2.2 4,-1.2 2,-0.2 3,-0.2 0.909 112.0 49.1 -67.0 -41.6 11.3 53.9 -6.9 147 150 A A H X>S+ 0 0 5 -4,-2.5 5,-2.5 1,-0.2 4,-0.6 0.911 108.3 55.0 -64.3 -40.1 11.4 50.2 -7.9 148 151 A G H <5S+ 0 0 62 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.807 112.5 41.9 -62.9 -30.4 9.1 50.9 -10.8 149 152 A M H <5S+ 0 0 162 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.595 120.3 41.8 -92.5 -12.8 11.4 53.6 -12.2 150 153 A T H <5S- 0 0 26 -4,-1.2 -110,-0.3 -3,-0.4 -2,-0.2 0.220 108.0-112.9-118.1 13.6 14.7 51.8 -11.6 151 154 A S T <5S+ 0 0 63 -4,-0.6 -111,-3.2 -3,-0.2 -110,-1.3 0.942 73.7 134.4 55.5 48.8 13.7 48.2 -12.7 152 155 A G E < -b 41 0A 16 -5,-2.5 2,-0.3 -112,-0.2 -110,-0.2 -0.569 52.5-128.6-120.6-175.4 14.0 47.0 -9.1 153 156 A V E -b 42 0A 17 -112,-1.5 -110,-2.5 -2,-0.2 2,-0.6 -0.940 29.5-112.2-130.9 152.6 12.3 44.9 -6.5 154 157 A V E -b 43 0A 1 -2,-0.3 23,-2.6 -112,-0.2 24,-1.8 -0.785 26.3-147.2 -92.6 122.3 11.5 45.8 -2.9 155 158 A V B -d 178 0B 2 -112,-3.0 -110,-0.4 -2,-0.6 2,-0.3 -0.728 13.7-150.8 -88.9 134.2 13.4 43.9 -0.3 156 159 A G - 0 0 2 22,-3.0 25,-0.4 -2,-0.4 26,-0.1 -0.697 15.8-149.2-105.6 159.7 11.6 43.3 3.0 157 160 A T + 0 0 28 16,-0.3 22,-0.1 -2,-0.3 17,-0.1 0.217 47.4 139.9-108.8 11.7 13.0 42.9 6.5 158 161 A D + 0 0 23 15,-0.2 23,-0.3 4,-0.1 2,-0.3 -0.314 24.8 172.3 -60.5 133.6 10.4 40.5 7.8 159 162 A H >> - 0 0 5 23,-0.2 4,-2.7 24,-0.1 3,-1.8 -0.868 47.8 -88.8-136.6 171.0 11.7 37.7 10.1 160 163 A A H 3> S+ 0 0 0 24,-1.1 4,-2.3 21,-0.4 25,-0.2 0.824 120.2 58.7 -49.9 -41.0 10.4 34.9 12.3 161 164 A A H 34 S+ 0 0 0 23,-0.9 -1,-0.3 1,-0.2 4,-0.2 0.670 116.6 34.2 -68.1 -16.9 10.2 37.1 15.4 162 165 A E H <>>S+ 0 0 19 -3,-1.8 5,-2.0 2,-0.1 4,-1.0 0.733 114.4 56.4-103.7 -35.0 7.8 39.5 13.6 163 166 A A H <5S+ 0 0 0 -4,-2.7 3,-0.4 1,-0.2 -2,-0.2 0.893 100.0 60.8 -64.2 -39.6 6.0 37.1 11.4 164 167 A I T <5S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 76,-0.2 0.823 117.5 28.6 -59.0 -34.7 4.9 35.0 14.5 165 168 A T T 45S- 0 0 3 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.2 0.437 105.3-121.6-105.7 -1.0 3.0 37.9 16.0 166 169 A G T <5 + 0 0 3 -4,-1.0 2,-2.4 -3,-0.4 -3,-0.2 0.846 47.9 169.0 63.7 33.4 2.1 39.6 12.8 167 170 A F < + 0 0 80 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.2 -0.354 42.7 85.0 -78.5 60.4 3.9 42.7 14.1 168 171 A F S S- 0 0 27 -2,-2.4 2,-0.5 -3,-0.1 -35,-0.0 -0.981 86.0 -94.6-154.5 156.5 3.9 44.5 10.7 169 172 A T > > - 0 0 14 -2,-0.3 3,-2.8 -37,-0.1 5,-1.7 -0.660 43.5-114.6 -80.1 125.6 1.5 46.8 8.8 170 173 A K T 3 5S- 0 0 57 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 -0.439 102.3 -3.8 -60.9 117.3 -0.6 44.8 6.3 171 174 A Y T 3 5S+ 0 0 119 -2,-0.3 -1,-0.3 72,-0.2 -31,-0.1 0.680 126.0 87.2 68.2 19.0 0.5 46.1 2.9 172 175 A G T X 5S- 0 0 1 -3,-2.8 3,-1.7 -32,-0.1 -1,-0.1 0.385 114.9 -17.4-108.8-113.8 2.8 48.5 4.7 173 176 A D T 3 5S+ 0 0 70 1,-0.3 -16,-0.3 -3,-0.1 -15,-0.2 0.666 139.6 64.1 -69.6 -11.9 6.2 47.3 5.7 174 177 A G T 3 + 0 0 46 -2,-0.4 3,-0.9 -24,-0.2 -22,-0.1 -0.810 10.2 176.6-119.4 91.6 12.4 38.8 2.2 180 183 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.1 0, 0.0 -23,-0.1 0.606 79.6 54.5 -69.4 -12.5 16.0 37.5 2.8 181 184 A L T > S+ 0 0 2 -25,-0.4 3,-2.2 -23,-0.3 -21,-0.4 0.605 73.4 127.0 -97.0 -12.1 15.7 37.5 6.6 182 185 A Y T < + 0 0 90 -3,-0.9 -23,-0.2 1,-0.2 3,-0.1 -0.242 68.5 35.3 -51.1 127.3 12.6 35.3 6.8 183 186 A R T 3 S+ 0 0 43 1,-0.4 -170,-0.4 -170,-0.0 -1,-0.2 -0.143 93.3 104.9 117.1 -27.8 13.4 32.3 9.2 184 187 A L < - 0 0 3 -3,-2.2 -24,-1.1 -172,-0.1 -23,-0.9 -0.563 60.0-141.1 -85.3 144.6 15.6 34.1 11.6 185 188 A N > - 0 0 2 -2,-0.2 4,-1.6 -25,-0.2 -25,-0.1 -0.449 35.0 -92.7 -94.5 175.4 14.5 35.2 15.1 186 189 A K H >> S+ 0 0 29 1,-0.2 4,-1.4 2,-0.2 3,-0.7 0.944 122.4 43.5 -55.2 -58.2 15.5 38.5 16.8 187 190 A R H 3> S+ 0 0 61 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.839 111.3 56.6 -60.1 -31.5 18.7 37.4 18.7 188 191 A Q H 3> S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.830 101.2 57.2 -69.2 -30.6 19.9 35.4 15.6 189 192 A G H S+ 0 0 0 -4,-1.9 5,-2.5 2,-0.2 3,-0.5 0.913 109.6 51.5 -61.1 -42.4 25.4 41.6 12.5 194 197 A A H ><5S+ 0 0 51 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.938 108.2 52.4 -58.6 -45.3 28.1 40.7 15.0 195 198 A A H 3<5S+ 0 0 38 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.755 108.8 50.7 -61.3 -25.9 29.6 38.4 12.5 196 199 A L T 3<5S- 0 0 29 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.402 116.9-117.1 -92.3 1.0 29.6 41.3 10.0 197 200 A A T < 5 + 0 0 80 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.784 47.5 179.2 68.8 30.7 31.3 43.5 12.6 198 201 A C < - 0 0 7 -5,-2.5 -1,-0.2 1,-0.1 5,-0.1 -0.378 43.1 -93.4 -64.3 136.1 28.4 45.9 12.8 199 202 A P > - 0 0 50 0, 0.0 3,-2.6 0, 0.0 4,-0.4 -0.328 37.5-127.3 -54.3 120.2 28.9 48.8 15.3 200 203 A E G > S+ 0 0 118 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.781 102.6 63.1 -37.3 -46.5 27.4 47.5 18.5 201 204 A H G > S+ 0 0 93 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.705 90.3 67.7 -60.4 -20.7 25.2 50.5 19.0 202 205 A L G < S+ 0 0 8 -3,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.755 114.9 26.0 -71.6 -23.6 23.2 49.9 15.8 203 206 A Y G < 0 0 28 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.123 360.0 360.0-126.3 21.8 21.6 46.8 17.2 204 207 A K < 0 0 157 -3,-0.5 -154,-0.1 -4,-0.3 -3,-0.0 -0.663 360.0 360.0-138.1 360.0 21.7 47.4 20.9 205 ! 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 0.0 206 224 A E 0 0 183 0, 0.0 2,-0.6 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 92.5 7.4 47.9 22.3 207 225 A V + 0 0 130 4,-0.2 5,-0.0 1,-0.2 0, 0.0 0.168 360.0 104.1 66.5 -23.5 5.0 46.9 25.2 208 226 A A S S+ 0 0 62 -2,-0.6 -1,-0.2 2,-0.1 2,-0.1 0.929 75.5 57.0 -51.4 -48.9 2.4 46.4 22.4 209 227 A L S S- 0 0 16 2,-0.2 24,-0.0 1,-0.1 -2,-0.0 -0.465 87.3-130.0 -81.9 155.8 2.9 42.7 22.8 210 228 A G S S+ 0 0 63 -2,-0.1 2,-0.3 22,-0.1 -1,-0.1 0.056 89.1 58.2 -93.9 26.9 2.3 41.0 26.2 211 229 A V S S- 0 0 20 21,-0.1 2,-0.2 22,-0.0 -4,-0.2 -0.940 80.7-115.2-147.0 165.3 5.7 39.3 25.8 212 230 A T > - 0 0 75 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.575 32.4-109.2-100.4 167.2 9.4 40.2 25.4 213 231 A Y H > S+ 0 0 79 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.842 120.7 57.6 -64.8 -30.9 11.6 39.4 22.4 214 232 A D H > S+ 0 0 95 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.901 105.8 49.8 -65.7 -37.7 13.5 36.9 24.5 215 233 A N H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.923 113.6 46.3 -63.3 -45.7 10.2 35.1 25.2 216 234 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.942 114.1 46.1 -63.2 -49.1 9.5 35.1 21.4 217 235 A D H X S+ 0 0 2 -4,-3.3 4,-1.5 2,-0.2 -2,-0.2 0.900 112.2 51.2 -62.7 -40.4 12.9 33.9 20.4 218 236 A D H <>S+ 0 0 45 -4,-2.5 5,-2.5 -5,-0.2 3,-0.3 0.936 111.0 48.8 -61.4 -44.4 12.9 31.2 23.1 219 237 A Y H ><5S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.915 111.5 49.1 -59.7 -45.0 9.5 30.0 21.9 220 238 A L H 3<5S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.735 106.2 57.6 -68.1 -23.5 10.8 30.0 18.3 221 239 A E T 3<5S- 0 0 19 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.386 120.6-109.4 -87.0 2.6 13.9 28.0 19.4 222 240 A G T < 5 + 0 0 43 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.631 66.8 151.6 80.0 15.7 11.6 25.3 20.7 223 241 A K < - 0 0 90 -5,-2.5 2,-0.6 -6,-0.2 -1,-0.2 -0.403 54.2-102.5 -81.4 156.9 12.3 26.1 24.4 224 242 A N + 0 0 155 -2,-0.1 -1,-0.1 6,-0.0 -5,-0.1 -0.681 48.1 176.3 -79.7 116.1 10.0 25.4 27.3 225 243 A V - 0 0 12 -2,-0.6 5,-0.1 1,-0.1 -10,-0.0 -0.784 43.6 -72.0-117.4 162.5 8.4 28.8 28.3 226 244 A P >> - 0 0 88 0, 0.0 4,-2.0 0, 0.0 3,-1.4 -0.286 48.1-120.2 -54.2 136.9 5.8 29.6 30.9 227 245 A Q H 3> S+ 0 0 139 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.825 111.1 52.2 -49.1 -41.5 2.4 28.3 29.7 228 246 A Q H 3> S+ 0 0 134 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.772 107.4 52.4 -71.8 -22.3 0.7 31.7 29.7 229 247 A V H <> S+ 0 0 27 -3,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.893 109.2 50.1 -75.7 -40.9 3.5 33.2 27.7 230 248 A A H X S+ 0 0 9 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.888 109.7 51.7 -62.5 -39.4 3.0 30.4 25.1 231 249 A R H X S+ 0 0 126 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.901 108.7 50.0 -64.6 -42.1 -0.7 31.2 25.0 232 250 A T H X S+ 0 0 48 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.929 112.9 46.5 -61.6 -46.5 -0.1 34.9 24.4 233 251 A I H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.906 114.5 46.4 -63.2 -43.5 2.2 34.2 21.6 234 252 A E H X S+ 0 0 47 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.808 107.5 58.5 -70.4 -29.2 -0.1 31.6 20.0 235 253 A N H X S+ 0 0 104 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.949 108.6 44.9 -64.0 -47.7 -3.0 34.0 20.5 236 254 A W H X S+ 0 0 63 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.877 112.2 52.6 -61.9 -41.4 -1.2 36.6 18.3 237 255 A Y H < S+ 0 0 21 -4,-1.9 3,-0.4 2,-0.2 -2,-0.2 0.969 112.4 43.6 -60.0 -53.9 -0.3 34.0 15.8 238 256 A L H >< S+ 0 0 104 -4,-2.6 3,-1.0 1,-0.2 4,-0.2 0.880 112.7 53.6 -59.4 -40.2 -3.8 32.7 15.3 239 257 A K H 3< S+ 0 0 132 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.819 112.3 43.6 -66.4 -30.9 -5.2 36.3 15.3 240 258 A T T >X S+ 0 0 6 -4,-1.7 3,-1.5 -3,-0.4 4,-0.6 0.131 70.6 113.6-106.0 21.6 -2.9 37.4 12.5 241 259 A E G X4 S+ 0 0 34 -3,-1.0 3,-1.1 1,-0.3 -1,-0.2 0.841 72.6 66.1 -59.8 -31.2 -3.0 34.5 10.0 242 260 A H G >4 S+ 0 0 71 -3,-0.3 3,-0.7 1,-0.3 -1,-0.3 0.769 95.5 57.8 -62.3 -23.8 -4.7 36.8 7.5 243 261 A K G <4 S+ 0 0 60 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.734 105.9 48.0 -78.0 -22.8 -1.5 38.9 7.3 244 262 A R G << S+ 0 0 55 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.153 108.5 60.8-104.6 18.5 0.6 35.9 6.2 245 263 A R S < S- 0 0 102 -3,-0.7 3,-0.1 -4,-0.1 0, 0.0 -0.949 89.7 -96.8-140.1 157.2 -1.8 34.7 3.5 246 264 A P S S- 0 0 103 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.215 70.4 -58.8 -66.7 167.8 -3.2 36.2 0.2 247 265 A P - 0 0 87 0, 0.0 2,-0.2 0, 0.0 -4,-0.0 -0.102 68.2 -96.8 -49.1 146.3 -6.7 37.8 0.4 248 266 A I - 0 0 92 -3,-0.1 2,-0.2 2,-0.0 -6,-0.0 -0.419 44.4-178.0 -72.5 135.9 -9.5 35.4 1.6 249 267 A T > - 0 0 69 -2,-0.2 3,-1.4 -3,-0.1 -1,-0.0 -0.767 46.1 -94.9-125.9 172.5 -11.7 33.7 -1.0 250 268 A V T 3 S+ 0 0 130 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.644 121.2 63.1 -63.4 -12.6 -14.6 31.3 -0.8 251 269 A F T 3 S+ 0 0 184 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.729 82.1 97.0 -85.2 -22.1 -12.1 28.5 -1.1 252 270 A D < + 0 0 40 -3,-1.4 -4,-0.0 1,-0.1 0, 0.0 -0.353 36.4 167.6 -70.6 145.6 -10.3 29.2 2.1 253 271 A D > + 0 0 96 -2,-0.1 3,-1.5 2,-0.1 4,-0.4 0.359 52.0 97.6-135.8 0.1 -11.1 27.2 5.3 254 272 A F G > S+ 0 0 42 1,-0.3 3,-1.1 2,-0.2 -13,-0.1 0.835 83.6 55.6 -61.4 -32.5 -8.3 28.1 7.6 255 273 A W G 3 S+ 0 0 145 1,-0.2 -1,-0.3 -14,-0.0 -2,-0.1 0.584 96.6 66.6 -77.3 -7.7 -10.4 30.8 9.3 256 274 A K G < 0 0 135 -3,-1.5 -1,-0.2 0, 0.0 -2,-0.2 0.568 360.0 360.0 -87.9 -10.0 -13.0 28.2 10.0 257 275 A K < 0 0 233 -3,-1.1 -3,-0.0 -4,-0.4 0, 0.0 -0.391 360.0 360.0 -93.2 360.0 -10.8 26.3 12.5