==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 06-APR-12 4EIY . COMPND 2 MOLECULE: ADENOSINE RECEPTOR A2A/SOLUBLE CYTOCHROME B562 CH . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS, ESCHERICHIA COLI; . AUTHOR W.LIU,E.CHUN,A.A.THOMPSON,P.CHUBUKOV,F.XU,V.KATRITCH,G.W.HAN . 390 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20101.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 86.9 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 1.0 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 . 9 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 273 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 4.6 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 2 2 0 2 0 0 0 1 0 0 0 0 1 2 0 0 1 0 0 1 0 0 0 0 4 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 -1 A G 0 0 132 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 110.5 -1.3 23.2 2.3 2 0 A A - 0 0 79 1,-0.1 5,-0.1 2,-0.1 0, 0.0 -0.084 360.0 -81.5 -52.3 147.7 -3.9 21.0 0.5 3 1 A P >> - 0 0 79 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.284 41.0-130.1 -50.3 129.7 -7.5 20.8 1.9 4 2 A P H 3> S+ 0 0 115 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.790 101.3 70.6 -56.5 -30.9 -7.3 18.2 4.8 5 3 A I H 3> S+ 0 0 117 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.768 90.7 61.8 -59.6 -23.9 -10.3 16.3 3.4 6 4 A M H <> S+ 0 0 116 -3,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.986 111.0 35.0 -69.1 -54.4 -8.2 15.0 0.5 7 5 A G H X S+ 0 0 51 -4,-0.6 4,-2.5 1,-0.2 -2,-0.2 0.890 117.4 55.8 -62.4 -37.9 -5.6 13.1 2.6 8 6 A S H X S+ 0 0 41 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.907 103.7 53.8 -63.0 -41.6 -8.3 12.2 5.1 9 7 A S H X S+ 0 0 57 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.892 110.1 47.5 -59.1 -41.6 -10.3 10.6 2.3 10 8 A V H X S+ 0 0 100 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.956 114.0 47.5 -62.8 -47.3 -7.3 8.4 1.2 11 9 A Y H X S+ 0 0 18 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.921 113.8 45.8 -62.0 -48.9 -6.7 7.4 4.9 12 10 A I H X S+ 0 0 42 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.886 111.4 52.3 -62.7 -42.9 -10.3 6.5 5.6 13 11 A T H X S+ 0 0 95 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.915 111.7 46.0 -59.2 -44.8 -10.7 4.6 2.4 14 12 A V H X S+ 0 0 57 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.923 111.0 53.4 -65.5 -43.9 -7.6 2.5 3.1 15 13 A E H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.907 109.5 48.5 -57.2 -43.4 -8.8 1.9 6.8 16 14 A L H X S+ 0 0 89 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.890 109.1 52.4 -67.5 -40.8 -12.1 0.6 5.5 17 15 A A H X S+ 0 0 52 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.929 111.8 47.3 -56.2 -46.5 -10.5 -1.7 3.0 18 16 A I H X S+ 0 0 13 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.901 109.2 53.7 -64.7 -40.7 -8.3 -3.1 5.8 19 17 A A H X S+ 0 0 8 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.915 108.3 49.3 -62.0 -45.1 -11.3 -3.5 8.1 20 18 A V H X S+ 0 0 81 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.942 114.1 45.5 -57.7 -47.3 -13.2 -5.5 5.5 21 19 A L H X S+ 0 0 96 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.895 111.4 51.6 -68.8 -38.1 -10.3 -7.8 4.9 22 20 A A H X S+ 0 0 0 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.905 112.8 46.3 -63.1 -47.1 -9.5 -8.3 8.6 23 21 A I H X S+ 0 0 50 -4,-2.3 4,-2.3 -5,-0.2 5,-0.3 0.963 114.6 45.8 -60.0 -52.7 -13.1 -9.3 9.3 24 22 A L H X S+ 0 0 116 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.924 114.9 45.2 -62.1 -45.9 -13.4 -11.7 6.4 25 23 A G H X S+ 0 0 16 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.898 116.4 44.2 -66.5 -40.8 -10.1 -13.5 6.9 26 24 A N H X S+ 0 0 1 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.802 108.8 55.5 -79.0 -30.0 -10.5 -14.0 10.6 27 25 A V H X S+ 0 0 63 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.917 106.7 54.3 -60.0 -41.6 -14.1 -15.0 10.4 28 26 A L H X S+ 0 0 34 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.899 106.8 50.9 -58.0 -44.3 -12.8 -17.7 8.0 29 27 A V H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.923 112.1 45.2 -57.4 -50.3 -10.3 -18.8 10.7 30 28 A C H X S+ 0 0 37 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.888 112.6 51.8 -60.6 -42.7 -13.0 -19.1 13.4 31 29 A W H X S+ 0 0 95 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.899 108.1 52.2 -61.8 -42.6 -15.4 -20.9 11.0 32 30 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 7,-0.2 0.916 110.7 46.5 -63.3 -43.8 -12.6 -23.5 10.1 33 31 A V H < S+ 0 0 10 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.911 113.0 51.2 -63.2 -42.5 -11.9 -24.2 13.8 34 32 A W H < S+ 0 0 200 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.899 116.6 38.9 -57.2 -43.6 -15.7 -24.6 14.4 35 33 A L H < S+ 0 0 93 -4,-2.3 2,-0.7 1,-0.2 -2,-0.2 0.925 108.4 61.0 -77.9 -41.7 -16.2 -27.0 11.5 36 34 A N >< - 0 0 25 -4,-2.3 3,-1.9 -5,-0.2 4,-0.3 -0.780 56.3-164.1-105.1 110.2 -13.2 -29.2 11.7 37 35 A S G > S+ 0 0 86 -2,-0.7 3,-1.1 1,-0.3 -1,-0.1 0.751 91.1 68.6 -61.5 -25.1 -12.5 -31.3 14.8 38 36 A N G 3 S+ 0 0 105 1,-0.2 -1,-0.3 340,-0.1 340,-0.1 0.722 102.3 46.2 -64.6 -23.2 -8.9 -31.8 13.5 39 37 A L G < S+ 0 0 5 -3,-1.9 2,-1.3 -7,-0.2 -1,-0.2 0.422 87.8 99.2 -94.9 -2.0 -8.4 -28.1 14.3 40 38 A Q < + 0 0 86 -3,-1.1 2,-0.3 -4,-0.3 -1,-0.1 -0.701 53.9 115.8 -88.5 86.5 -10.1 -28.2 17.7 41 39 A N S > S- 0 0 63 -2,-1.3 4,-0.9 1,-0.1 3,-0.3 -0.929 79.1 -95.6-144.6 168.1 -7.1 -28.4 20.1 42 40 A V H >> S+ 0 0 12 -2,-0.3 4,-1.3 1,-0.2 3,-1.2 0.897 119.2 57.2 -58.9 -45.1 -5.7 -26.1 22.7 43 41 A T H 3> S+ 0 0 12 1,-0.3 4,-1.4 2,-0.2 3,-0.4 0.911 107.6 50.2 -49.0 -45.8 -3.2 -24.3 20.5 44 42 A N H 3> S+ 0 0 17 -3,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.690 96.0 68.4 -74.3 -14.5 -6.0 -23.3 18.2 45 43 A Y H S+ 0 0 21 -4,-2.2 4,-2.5 1,-0.2 5,-1.9 0.816 101.1 60.1 -64.8 -30.5 -12.5 -6.5 16.8 57 55 A V H <>S+ 0 0 5 -4,-1.5 5,-2.8 3,-0.2 -1,-0.2 0.941 111.1 39.8 -57.2 -47.3 -9.8 -4.4 15.0 58 56 A G H <5S+ 0 0 5 -4,-1.5 -2,-0.2 3,-0.2 -1,-0.2 0.915 122.2 40.7 -68.8 -42.7 -12.1 -4.3 11.9 59 57 A V H <5S+ 0 0 80 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.883 137.2 0.7 -77.8 -37.2 -15.4 -3.8 13.7 60 58 A L T X5S+ 0 0 67 -4,-2.5 4,-2.4 -5,-0.2 -3,-0.2 0.800 122.3 54.3-122.6 -53.2 -14.2 -1.4 16.4 61 59 A A H > S+ 0 0 49 0, 0.0 4,-2.3 0, 0.0 -2,-0.2 0.908 114.0 50.4 -53.3 -38.6 -14.0 2.9 13.2 64 62 A F H X S+ 0 0 38 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.902 109.3 50.8 -67.1 -40.7 -12.4 4.4 16.4 65 63 A A H X S+ 0 0 13 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.903 109.9 49.7 -62.6 -42.5 -9.2 5.3 14.5 66 64 A I H X S+ 0 0 30 -4,-2.6 4,-0.5 2,-0.2 -2,-0.2 0.954 112.4 49.4 -60.2 -46.2 -11.2 7.0 11.7 67 65 A T H ><>S+ 0 0 51 -4,-2.3 3,-1.6 -5,-0.2 5,-0.6 0.943 110.0 47.6 -59.1 -48.4 -13.0 9.0 14.4 68 66 A I H ><5S+ 0 0 20 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.792 99.1 70.4 -72.0 -21.8 -10.0 10.1 16.3 69 67 A S H 3<5S+ 0 0 24 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.715 92.0 61.0 -62.6 -20.0 -8.3 11.3 13.1 70 68 A T T <<5S- 0 0 85 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.653 97.7-135.0 -83.0 -17.2 -10.9 14.1 12.9 71 69 A G T < 5 + 0 0 2 -3,-1.2 97,-0.2 97,-0.7 98,-0.2 0.719 39.6 179.8 67.7 21.4 -9.9 15.8 16.2 72 70 A F < - 0 0 74 -5,-0.6 96,-2.6 96,-0.3 2,-0.3 -0.116 36.7 -94.5 -54.8 151.7 -13.6 16.1 17.0 73 71 A a E +A 167 0A 37 94,-0.2 2,-0.3 86,-0.2 94,-0.2 -0.514 59.9 160.6 -70.2 127.5 -14.7 17.7 20.3 74 72 A A E -A 166 0A 10 92,-2.5 92,-2.8 -2,-0.3 2,-0.1 -0.995 49.7 -91.9-147.3 151.6 -15.2 15.1 23.0 75 73 A A E > -A 165 0A 59 -2,-0.3 4,-2.3 90,-0.3 3,-0.4 -0.425 49.2-119.9 -56.0 137.4 -15.4 14.6 26.7 76 74 A b H > S+ 0 0 8 88,-1.9 4,-2.2 1,-0.2 -1,-0.1 0.875 108.7 48.9 -62.1 -37.9 -11.8 13.8 27.6 77 75 A H H > S+ 0 0 97 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.836 111.5 50.0 -74.6 -28.8 -12.5 10.3 29.1 78 76 A G H > S+ 0 0 41 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.921 108.7 52.9 -68.9 -40.6 -14.6 9.2 26.1 79 77 A c H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.921 107.5 52.8 -57.3 -43.6 -11.7 10.4 23.9 80 78 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.868 107.4 50.5 -59.5 -42.8 -9.4 8.2 25.9 81 79 A F H X S+ 0 0 67 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.950 111.2 47.9 -61.4 -48.5 -11.5 5.1 25.4 82 80 A I H < S+ 0 0 32 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.891 117.3 44.2 -54.9 -44.6 -11.6 5.7 21.7 83 81 A A H < S+ 0 0 5 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.840 120.7 37.2 -67.3 -40.3 -7.8 6.2 21.7 84 82 A C H >X S+ 0 0 0 -4,-2.5 3,-1.3 -5,-0.2 4,-0.9 0.630 87.9 88.1 -98.2 -17.0 -6.9 3.3 24.0 85 83 A F H >X S+ 0 0 16 -4,-2.3 4,-1.5 1,-0.3 3,-1.2 0.896 87.4 56.9 -52.6 -43.0 -9.4 0.5 23.0 86 84 A V H 3> S+ 0 0 27 -4,-0.4 4,-2.3 1,-0.3 -1,-0.3 0.837 98.9 61.5 -57.2 -31.3 -6.9 -0.7 20.3 87 85 A L H <> S+ 0 0 8 -3,-1.3 4,-1.6 2,-0.2 -1,-0.3 0.805 100.5 53.8 -65.0 -31.5 -4.3 -1.1 23.0 88 86 A V H X + 0 0 53 -4,-2.9 3,-1.6 -5,-0.2 4,-1.1 -0.505 68.4 162.1-134.2 63.6 7.0 -33.1 27.9 111 109 A P H 3> S+ 0 0 74 0, 0.0 4,-0.6 0, 0.0 3,-0.3 0.831 76.5 55.1 -58.0 -33.5 4.8 -34.7 25.2 112 110 A L H 34 S+ 0 0 164 1,-0.2 4,-0.1 2,-0.1 -5,-0.1 0.663 115.5 39.8 -72.6 -16.0 3.6 -37.6 27.4 113 111 A R H <> S+ 0 0 170 -3,-1.6 4,-1.6 -7,-0.2 3,-0.4 0.533 92.6 90.0-104.4 -9.5 2.4 -35.0 30.0 114 112 A Y H X S+ 0 0 24 -4,-1.1 4,-3.2 -3,-0.3 3,-0.5 0.911 85.5 47.7 -60.3 -50.3 1.0 -32.4 27.6 115 113 A N H < S+ 0 0 131 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.786 114.5 48.1 -67.6 -27.0 -2.6 -33.7 27.3 116 114 A G H 4 S+ 0 0 58 -3,-0.4 -1,-0.2 -4,-0.1 -2,-0.2 0.741 121.7 33.9 -78.6 -26.9 -2.8 -34.0 31.2 117 115 A L H < S+ 0 0 81 -4,-1.6 2,-1.0 -3,-0.5 -2,-0.2 0.873 115.0 52.7 -93.8 -47.7 -1.4 -30.5 31.8 118 116 A V S < S+ 0 0 23 -4,-3.2 2,-0.3 -5,-0.2 -1,-0.2 -0.766 76.1 165.6 -98.3 92.3 -2.7 -28.4 28.9 119 117 A T > - 0 0 44 -2,-1.0 4,-2.7 -3,-0.2 5,-0.2 -0.716 49.2-115.1-111.1 159.1 -6.5 -29.0 28.8 120 118 A G H > S+ 0 0 22 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.894 116.6 51.7 -53.5 -46.3 -9.3 -27.2 27.1 121 119 A T H > S+ 0 0 117 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.924 111.4 46.3 -61.7 -40.7 -10.8 -26.1 30.4 122 120 A R H > S+ 0 0 135 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.930 111.0 52.2 -68.9 -43.9 -7.5 -24.6 31.6 123 121 A A H X S+ 0 0 3 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.886 107.4 52.4 -57.5 -43.8 -6.9 -22.8 28.2 124 122 A K H X S+ 0 0 131 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.893 109.8 49.7 -60.5 -40.0 -10.4 -21.2 28.4 125 123 A G H X S+ 0 0 34 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.933 111.3 48.2 -63.2 -45.2 -9.6 -19.9 31.9 126 124 A I H X S+ 0 0 79 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.933 110.9 51.1 -61.1 -47.0 -6.2 -18.5 30.8 127 125 A I H X S+ 0 0 28 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.921 111.6 47.7 -56.0 -45.5 -7.9 -16.8 27.8 128 126 A A H X S+ 0 0 57 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.953 113.1 47.8 -61.4 -48.3 -10.5 -15.2 30.0 129 127 A I H X S+ 0 0 103 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.932 111.0 52.3 -58.2 -44.7 -7.8 -14.0 32.5 130 128 A C H X S+ 0 0 22 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.878 107.2 51.0 -63.6 -38.4 -5.8 -12.6 29.6 131 129 A W H X S+ 0 0 57 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.912 110.3 49.8 -64.4 -43.6 -8.7 -10.6 28.2 132 130 A V H X S+ 0 0 103 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.953 112.5 47.0 -59.0 -50.0 -9.4 -9.1 31.7 133 131 A L H X S+ 0 0 78 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.824 108.4 56.5 -57.8 -35.7 -5.7 -8.1 32.0 134 132 A S H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.890 106.9 49.0 -66.9 -38.6 -5.7 -6.7 28.5 135 133 A F H X S+ 0 0 82 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.948 112.7 47.9 -62.4 -45.0 -8.6 -4.4 29.4 136 134 A A H < S+ 0 0 57 -4,-2.2 -2,-0.2 1,-0.2 4,-0.2 0.909 117.9 40.8 -63.1 -44.7 -6.7 -3.3 32.6 137 135 A I H >< S+ 0 0 31 -4,-2.7 3,-0.8 2,-0.2 -1,-0.2 0.918 117.3 45.2 -69.0 -49.9 -3.4 -2.7 30.7 138 136 A G H 3< S+ 0 0 0 -4,-2.7 -51,-0.2 1,-0.2 -2,-0.2 0.825 117.8 44.1 -68.6 -30.1 -4.8 -1.1 27.6 139 137 A L T >< S+ 0 0 28 -4,-2.2 3,-1.7 -5,-0.3 4,-0.4 0.314 75.7 115.5-103.1 14.8 -7.2 1.2 29.6 140 138 A T G X >S+ 0 0 25 -3,-0.8 3,-2.6 1,-0.3 5,-0.9 0.900 70.3 62.8 -43.7 -43.5 -4.6 2.2 32.2 141 139 A P G > 5S+ 0 0 0 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 0.830 94.2 59.6 -56.7 -28.6 -4.9 5.8 31.0 142 140 A M G < 5S+ 0 0 59 -3,-1.7 -2,-0.2 1,-0.3 4,-0.1 0.493 94.3 66.2 -77.0 -6.0 -8.5 6.0 31.9 143 141 A L G < 5S- 0 0 152 -3,-2.6 -1,-0.3 -4,-0.4 -3,-0.1 0.468 136.0 -76.9 -90.9 -4.9 -7.5 5.3 35.5 144 142 A G T < 5S+ 0 0 50 -3,-1.4 2,-1.7 -4,-0.4 -2,-0.2 0.309 99.4 117.6 131.9 -0.8 -5.7 8.7 35.5 145 143 A W < + 0 0 90 -5,-0.9 2,-0.3 2,-0.1 -2,-0.1 -0.593 60.5 102.2 -89.3 76.8 -2.5 8.3 33.6 146 144 A N S S- 0 0 26 -2,-1.7 3,-0.4 28,-0.1 28,-0.2 -0.904 80.4-115.5-151.5 170.8 -3.6 10.8 31.0 147 145 A N S > S+ 0 0 50 26,-2.1 3,-1.5 -2,-0.3 27,-0.1 0.167 79.1 109.1 -99.3 16.4 -3.3 14.4 29.8 148 146 A b T 3 S+ 0 0 25 25,-0.3 -1,-0.2 1,-0.3 -72,-0.1 0.773 76.3 57.8 -66.4 -24.8 -6.9 15.4 30.5 149 147 A G T 3 S+ 0 0 66 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.636 108.9 46.5 -75.9 -16.8 -5.7 17.5 33.4 150 148 A Q S < S- 0 0 111 -3,-1.5 -1,-0.2 22,-0.1 -2,-0.1 -0.549 83.5-176.5-124.4 65.1 -3.5 19.5 31.1 151 149 A P - 0 0 49 0, 0.0 2,-1.5 0, 0.0 3,-0.1 -0.252 36.4-113.9 -68.1 150.1 -5.8 20.3 28.1 152 150 A K > - 0 0 100 1,-0.2 4,-2.6 15,-0.1 15,-0.2 -0.692 37.1-175.3 -81.4 88.3 -4.6 22.2 25.0 153 151 A E H > S+ 0 0 96 -2,-1.5 4,-2.4 1,-0.2 5,-0.2 0.815 76.2 55.5 -64.5 -33.0 -6.7 25.2 25.6 154 152 A G H > S+ 0 0 57 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.952 112.8 40.3 -60.8 -55.5 -5.7 26.9 22.3 155 153 A K H > S+ 0 0 75 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.919 114.6 53.9 -54.6 -48.9 -6.8 24.0 20.2 156 154 A N H <>S+ 0 0 4 -4,-2.6 5,-2.8 1,-0.2 4,-0.4 0.905 113.5 40.8 -62.7 -41.9 -9.9 23.4 22.2 157 155 A H H ><5S+ 0 0 128 -4,-2.4 3,-0.7 3,-0.2 -1,-0.2 0.873 113.5 53.1 -70.9 -39.2 -11.1 27.0 21.9 158 156 A S H 3<5S+ 0 0 102 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.902 112.4 46.0 -63.0 -38.4 -10.1 27.3 18.2 159 157 A Q T 3<5S- 0 0 95 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.523 114.5-120.4 -77.3 -12.7 -12.1 24.1 17.6 160 158 A G T < 5 + 0 0 61 -3,-0.7 -3,-0.2 -4,-0.4 -4,-0.1 0.744 47.7 172.7 77.9 27.3 -15.1 25.4 19.6 161 159 A a < - 0 0 19 -5,-2.8 -1,-0.2 -6,-0.2 3,-0.1 -0.304 22.1-131.1 -72.4 153.4 -15.2 22.6 22.3 162 160 A G > - 0 0 43 1,-0.2 3,-1.3 4,-0.1 2,-0.2 -0.042 45.4 -48.3 -88.3-167.2 -17.4 22.8 25.3 163 161 A E T 3 S+ 0 0 111 1,-0.3 -1,-0.2 -88,-0.0 3,-0.1 -0.453 126.7 9.0 -72.0 132.0 -16.8 22.3 29.1 164 162 A G T 3 S+ 0 0 65 1,-0.3 -88,-1.9 -2,-0.2 -1,-0.3 0.326 108.3 120.2 79.5 -5.4 -14.9 19.1 30.0 165 163 A Q E < -A 75 0A 69 -3,-1.3 -1,-0.3 -90,-0.2 2,-0.3 -0.602 40.7-175.7 -95.6 151.0 -14.3 18.6 26.3 166 164 A V E -A 74 0A 10 -92,-2.8 -92,-2.5 -2,-0.2 2,-0.7 -0.898 42.9 -95.0-129.8 159.6 -11.0 18.5 24.3 167 165 A A E -A 73 0A 0 -2,-0.3 2,-1.2 -94,-0.2 -94,-0.2 -0.755 52.6-124.0 -69.2 119.1 -10.1 18.2 20.6 168 166 A c + 0 0 0 -96,-2.6 -97,-0.7 -2,-0.7 2,-0.4 -0.565 53.9 147.1 -81.8 94.9 -9.8 14.4 20.5 169 167 A L >> - 0 0 48 -2,-1.2 3,-1.3 -98,-0.2 4,-1.1 -0.995 50.6-127.6-131.1 131.3 -6.3 13.8 19.2 170 168 A F H >> S+ 0 0 56 -2,-0.4 4,-2.8 1,-0.3 3,-0.9 0.863 106.3 45.0 -47.3 -53.0 -4.2 10.8 20.3 171 169 A E H 34 S+ 0 0 59 1,-0.2 -1,-0.3 2,-0.2 5,-0.2 0.613 108.9 58.7 -75.3 -13.9 -1.0 12.6 21.3 172 170 A D H <4 S+ 0 0 25 -3,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.729 119.7 24.6 -81.1 -23.8 -3.0 15.3 23.2 173 171 A V H << S+ 0 0 3 -4,-1.1 -26,-2.1 -3,-0.9 -25,-0.3 0.725 109.9 68.3-112.9 -32.8 -4.7 12.8 25.6 174 172 A V S < S- 0 0 1 -4,-2.8 -28,-0.1 -5,-0.3 -1,-0.1 -0.820 84.5-124.2 -95.9 122.3 -2.5 9.7 25.8 175 173 A P > - 0 0 5 0, 0.0 4,-1.7 0, 0.0 5,-0.1 -0.407 5.8-141.4 -70.6 142.9 0.8 10.4 27.6 176 174 A M H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.796 101.3 60.4 -72.4 -28.8 3.9 9.6 25.7 177 175 A N H >>S+ 0 0 65 1,-0.2 4,-2.3 2,-0.2 5,-0.9 0.934 107.5 48.1 -63.5 -40.2 5.6 8.3 28.8 178 176 A Y H >>S+ 0 0 0 1,-0.2 5,-3.4 3,-0.2 4,-0.8 0.924 111.7 48.8 -53.7 -51.5 2.8 5.7 29.1 179 177 A M H <>S+ 0 0 7 -4,-1.7 5,-2.1 3,-0.2 -2,-0.2 0.867 121.3 34.8 -63.9 -36.9 3.1 4.8 25.4 180 178 A V H <>S+ 0 0 1 -4,-2.4 5,-2.8 3,-0.2 -2,-0.2 0.959 128.5 26.6 -85.6 -58.5 6.9 4.3 25.6 181 179 A Y H <>S+ 0 0 116 -4,-2.3 5,-1.8 -5,-0.3 -3,-0.2 0.903 133.6 27.3 -74.4 -43.6 7.7 2.9 29.0 182 180 A F I XS+ 0 0 13 -5,-2.1 5,-3.2 -6,-0.3 4,-1.2 0.992 129.1 31.7 -72.9 -62.5 6.0 -0.4 24.5 185 183 A F I 4XS+ 0 0 72 -5,-2.8 5,-1.6 3,-0.2 -3,-0.2 0.956 131.2 27.8 -66.0 -55.9 8.8 -1.4 26.8 186 184 A A I 4 S+ 0 0 15 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.893 112.4 52.2 -60.0 -38.0 6.8 -10.3 25.9 192 190 A L H X S+ 0 0 19 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.914 111.1 47.2 -63.8 -40.3 8.1 -10.3 22.3 193 191 A L H X S+ 0 0 102 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.877 110.4 52.2 -65.9 -40.3 11.6 -10.9 23.6 194 192 A L H X S+ 0 0 97 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.905 109.3 50.8 -60.2 -41.0 10.2 -13.7 25.9 195 193 A M H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.902 107.4 52.5 -60.5 -43.0 8.5 -15.2 22.8 196 194 A L H X S+ 0 0 98 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.949 110.7 48.7 -56.7 -50.4 11.8 -15.1 20.9 197 195 A G H X S+ 0 0 29 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.873 110.6 49.6 -55.5 -45.3 13.4 -16.9 23.9 198 196 A V H X S+ 0 0 25 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.932 111.7 48.5 -63.0 -48.0 10.7 -19.6 24.0 199 197 A Y H X S+ 0 0 11 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.919 109.4 52.0 -61.4 -41.1 10.9 -20.3 20.2 200 198 A L H X S+ 0 0 95 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.868 110.3 50.0 -59.5 -35.9 14.7 -20.5 20.4 201 199 A R H X S+ 0 0 146 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.885 108.4 52.6 -70.1 -38.7 14.2 -23.1 23.2 202 200 A I H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.940 111.9 44.9 -58.6 -49.9 11.7 -25.0 21.0 203 201 A F H X S+ 0 0 58 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.888 112.2 52.1 -65.4 -35.8 14.2 -25.2 18.1 204 202 A L H X S+ 0 0 72 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.879 110.5 48.7 -66.3 -38.9 17.0 -26.2 20.5 205 203 A A H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.935 111.4 49.1 -65.6 -47.5 14.9 -29.0 22.0 206 204 A A H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.931 112.9 47.7 -54.3 -50.5 13.9 -30.3 18.5 207 205 A R H X S+ 0 0 171 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.889 113.6 46.8 -62.0 -41.7 17.6 -30.3 17.4 208 206 A R H X S+ 0 0 125 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.899 114.2 47.8 -65.6 -42.8 18.7 -32.1 20.6 209 207 A Q H X S+ 0 0 59 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.895 112.1 47.9 -70.1 -40.9 16.0 -34.7 20.4 210 208 A L H X S+ 0 0 40 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.881 111.4 52.2 -62.8 -39.8 16.6 -35.4 16.7 211 1001 A A H X S+ 0 0 54 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.880 108.9 50.4 -65.6 -38.2 20.4 -35.7 17.5 212 1002 A D H X S+ 0 0 84 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.893 107.0 53.3 -66.0 -42.4 19.6 -38.2 20.2 213 1003 A L H X S+ 0 0 28 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.931 113.4 44.0 -56.0 -49.0 17.4 -40.4 18.0 214 1004 A E H X S+ 0 0 59 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.907 111.7 53.4 -62.7 -45.2 20.3 -40.5 15.4 215 1005 A D H X S+ 0 0 86 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.883 110.0 47.0 -58.1 -43.3 22.9 -41.2 18.1 216 1006 A N H X S+ 0 0 34 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.892 112.2 51.0 -67.6 -40.0 21.0 -44.2 19.5 217 1007 A W H X S+ 0 0 39 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.936 112.3 46.1 -59.1 -50.2 20.5 -45.5 16.0 218 1008 A E H X S+ 0 0 83 -4,-2.9 4,-3.4 1,-0.2 5,-0.3 0.873 108.8 56.7 -62.0 -39.7 24.2 -45.2 15.3 219 1009 A T H X S+ 0 0 36 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.941 109.4 45.3 -57.4 -48.8 25.0 -46.8 18.6 220 1010 A L H X S+ 0 0 15 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.952 117.6 42.8 -58.0 -54.4 23.0 -49.9 17.7 221 1011 A N H X S+ 0 0 31 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.942 115.1 49.2 -61.6 -47.5 24.4 -50.2 14.2 222 1012 A D H X S+ 0 0 82 -4,-3.4 4,-1.5 1,-0.2 -1,-0.2 0.852 112.0 48.4 -61.5 -36.6 28.0 -49.5 15.3 223 1013 A N H X S+ 0 0 22 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.813 102.0 61.4 -77.6 -30.4 27.8 -52.1 18.2 224 1014 A L H X S+ 0 0 4 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.878 107.4 48.2 -57.3 -35.9 26.4 -54.8 15.9 225 1015 A K H X S+ 0 0 115 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.899 106.5 55.0 -69.5 -42.4 29.7 -54.3 14.0 226 1016 A V H < S+ 0 0 70 -4,-1.5 4,-0.3 1,-0.2 -2,-0.2 0.940 111.8 45.5 -53.1 -48.0 31.8 -54.5 17.2 227 1017 A I H >< S+ 0 0 2 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.934 107.9 56.9 -61.9 -48.9 30.1 -57.9 18.0 228 1018 A E H 3< S+ 0 0 87 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.846 117.3 32.0 -53.9 -42.6 30.5 -59.3 14.4 229 1019 A K T 3< S+ 0 0 151 -4,-1.9 -1,-0.3 -3,-0.1 -2,-0.2 0.235 91.0 125.5-106.1 17.0 34.3 -58.9 14.3 230 1020 A A < - 0 0 10 -3,-1.3 3,-0.1 -4,-0.3 -3,-0.1 -0.296 46.7-158.6 -63.5 154.8 34.8 -59.5 18.0 231 1021 A D + 0 0 143 1,-0.2 2,-0.3 -2,-0.0 -1,-0.1 0.407 68.3 34.2-118.7 -1.8 37.2 -62.3 18.9 232 1022 A N S >> S- 0 0 67 48,-0.1 4,-1.6 1,-0.1 3,-0.5 -0.984 80.3-109.6-150.1 161.5 36.1 -63.1 22.5 233 1023 A A H 3> S+ 0 0 18 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.790 115.2 61.5 -60.0 -30.7 33.0 -63.3 24.7 234 1024 A A H 3> S+ 0 0 55 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.909 103.8 47.4 -62.3 -44.6 34.2 -60.2 26.6 235 1025 A Q H <> S+ 0 0 81 -3,-0.5 4,-1.6 2,-0.2 -2,-0.2 0.870 114.6 46.8 -66.5 -38.3 34.2 -58.0 23.5 236 1026 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.919 112.0 51.0 -66.8 -44.5 30.7 -59.3 22.6 237 1027 A K H X S+ 0 0 91 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.926 109.4 50.4 -58.0 -46.9 29.5 -58.8 26.2 238 1028 A D H X S+ 0 0 95 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.871 111.8 46.3 -64.2 -39.7 30.8 -55.2 26.3 239 1029 A A H X S+ 0 0 4 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.910 112.2 52.3 -64.2 -43.4 29.0 -54.2 23.0 240 1030 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.799 103.7 56.2 -66.4 -30.7 25.8 -55.9 24.1 241 1031 A T H X S+ 0 0 55 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.902 110.3 45.6 -68.9 -37.1 25.7 -54.0 27.5 242 1032 A K H X S+ 0 0 137 -4,-1.2 4,-2.0 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-4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 1.000 360.0 360.0 -64.0 360.0 11.6 -44.2 27.2 253 ! 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 0.0 254 1058 A M > 0 0 113 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -33.3 2.4 -48.0 20.8 255 1059 A K H > + 0 0 78 2,-0.2 4,-2.1 3,-0.2 5,-0.2 0.980 360.0 33.1 -69.9 -59.0 1.4 -51.7 20.3 256 1060 A D H > S+ 0 0 129 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.828 120.9 54.8 -67.0 -33.1 3.8 -52.5 17.5 257 1061 A F H > S+ 0 0 58 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.964 110.5 42.1 -60.6 -56.8 6.3 -50.1 19.0 258 1062 A R H X S+ 0 0 131 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.873 113.4 53.2 -64.6 -39.3 6.4 -51.7 22.4 259 1063 A H H X S+ 0 0 99 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.896 108.1 52.5 -61.6 -41.3 6.4 -55.2 21.0 260 1064 A G H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.947 111.6 43.7 -58.2 -51.7 9.4 -54.2 18.8 261 1065 A F H X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.836 112.1 53.7 -67.9 -32.3 11.5 -52.9 21.8 262 1066 A D H X S+ 0 0 74 -4,-2.3 4,-2.4 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