==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-FEB-03 1OMW . COMPND 2 MOLECULE: G-PROTEIN COUPLED RECEPTOR KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR D.T.LODOWSKI,J.A.PITCHER,W.D.CAPEL,R.J.LEFKOWITZ,J.J.G.TESME . 1014 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48978.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 680 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 217 21.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 3 0.3 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 . 53 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 262 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.7 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 2 4 0 3 1 0 3 2 0 0 5 2 1 0 0 1 1 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 3 2 5 16 6 2 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 8 0 1 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 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 29 A S 0 0 159 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-172.8 27.2 17.3 70.3 2 30 A K + 0 0 151 181,-0.1 182,-0.1 2,-0.1 181,-0.0 0.744 360.0 101.6 -79.1 -26.7 28.9 15.6 67.2 3 31 A K S S- 0 0 117 1,-0.1 181,-0.1 180,-0.0 2,-0.1 -0.132 79.0-100.5 -68.9 156.5 30.4 18.9 65.9 4 32 A I - 0 0 17 180,-0.6 2,-0.3 179,-0.1 -1,-0.1 -0.439 34.9-169.6 -76.8 148.8 34.0 20.0 66.2 5 33 A L - 0 0 144 -2,-0.1 477,-0.0 481,-0.0 -1,-0.0 -0.967 13.3-138.7-144.8 125.3 35.1 22.4 68.9 6 34 A L - 0 0 14 -2,-0.3 143,-0.1 476,-0.1 142,-0.1 -0.584 26.9-108.8 -82.7 142.3 38.4 24.2 69.2 7 35 A P - 0 0 35 0, 0.0 -1,-0.1 0, 0.0 145,-0.1 -0.222 46.4 -91.0 -56.6 155.0 40.1 24.7 72.6 8 36 A E > - 0 0 73 1,-0.1 3,-1.6 2,-0.0 4,-0.1 -0.289 45.3-100.0 -64.2 160.7 40.2 28.3 73.9 9 37 A P G > S+ 0 0 46 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.676 114.6 76.9 -60.1 -14.7 43.4 30.2 72.8 10 38 A S G > S+ 0 0 33 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.584 72.3 83.5 -77.2 -6.4 45.1 29.7 76.3 11 39 A I G X> S+ 0 0 12 -3,-1.6 4,-2.6 1,-0.2 3,-0.8 0.719 71.8 78.2 -63.1 -22.2 45.8 26.2 75.2 12 40 A R H <> S+ 0 0 49 -3,-1.6 4,-3.4 1,-0.2 5,-0.3 0.811 81.8 64.2 -55.4 -41.1 48.9 27.6 73.4 13 41 A S H <4 S+ 0 0 24 -3,-1.0 4,-0.4 1,-0.2 -1,-0.2 0.847 113.9 31.7 -54.9 -41.5 50.8 27.8 76.6 14 42 A V H <> S+ 0 0 2 -3,-0.8 4,-1.6 -4,-0.4 -2,-0.2 0.825 121.5 49.8 -86.0 -37.8 50.7 24.1 77.0 15 43 A M H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.912 104.1 55.9 -71.4 -44.3 50.7 23.1 73.3 16 44 A Q H X S+ 0 0 42 -4,-3.4 4,-2.0 1,-0.2 -1,-0.2 0.852 111.5 46.8 -56.1 -33.1 53.7 25.3 72.3 17 45 A K H > S+ 0 0 72 -4,-0.4 4,-1.8 -5,-0.3 -1,-0.2 0.865 111.0 50.1 -74.8 -40.8 55.7 23.5 75.0 18 46 A Y H X S+ 0 0 31 -4,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.923 115.7 43.7 -62.2 -44.0 54.5 20.0 73.9 19 47 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 3,-0.9 0.915 112.1 52.6 -66.4 -45.2 55.4 20.8 70.3 20 48 A E H ><5S+ 0 0 104 -4,-2.0 3,-0.7 -5,-0.3 -1,-0.2 0.798 105.3 55.3 -64.7 -33.9 58.7 22.4 71.3 21 49 A D H 3<5S+ 0 0 71 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.767 111.6 43.7 -70.4 -27.9 59.7 19.3 73.3 22 50 A R T <<5S- 0 0 112 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.185 115.4-112.1-103.4 8.2 59.2 17.1 70.2 23 51 A G T < 5S+ 0 0 41 -3,-0.7 -3,-0.2 -4,-0.2 6,-0.2 0.740 76.4 130.9 74.7 29.4 60.9 19.4 67.8 24 52 A E < + 0 0 30 -5,-2.3 2,-0.6 1,-0.2 -4,-0.2 0.223 44.1 86.1-102.3 11.4 57.7 20.3 65.9 25 53 A V + 0 0 18 -6,-0.3 2,-0.3 -5,-0.1 -1,-0.2 -0.589 63.7 108.2-116.7 70.1 58.1 24.1 65.9 26 54 A T S > S- 0 0 53 -2,-0.6 4,-2.3 1,-0.1 5,-0.4 -0.974 80.1-107.5-139.3 149.3 60.2 24.6 62.9 27 55 A F H > S+ 0 0 12 -2,-0.3 4,-2.9 103,-0.3 5,-0.3 0.921 117.5 45.7 -37.3 -59.7 59.5 26.1 59.5 28 56 A E H > S+ 0 0 142 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.924 111.6 47.4 -62.0 -52.8 59.7 22.6 57.8 29 57 A K H 4 S+ 0 0 106 2,-0.2 -1,-0.2 -6,-0.2 -2,-0.2 0.853 122.6 36.4 -59.1 -34.6 57.6 20.6 60.2 30 58 A I H >< S+ 0 0 1 -4,-2.3 3,-1.7 1,-0.1 6,-0.3 0.942 113.7 53.4 -83.1 -51.5 54.8 23.2 60.2 31 59 A F H 3< S+ 0 0 23 -4,-2.9 -2,-0.2 -5,-0.4 -3,-0.2 0.700 106.1 55.4 -54.9 -24.5 54.9 24.4 56.6 32 60 A S T 3< S+ 0 0 98 -4,-1.4 2,-0.4 -5,-0.3 -1,-0.3 0.376 88.9 85.2-100.8 12.6 54.6 20.9 55.3 33 61 A Q S <> S- 0 0 25 -3,-1.7 4,-2.4 1,-0.1 5,-0.2 -0.868 84.8-124.4-101.5 141.5 51.4 20.0 57.1 34 62 A K H > S+ 0 0 94 -2,-0.4 4,-1.7 1,-0.2 -1,-0.1 0.809 108.4 42.9 -57.8 -34.5 48.2 21.1 55.3 35 63 A L H > S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.807 112.3 52.6 -87.0 -29.7 46.8 23.1 58.3 36 64 A G H > S+ 0 0 0 -6,-0.3 4,-3.4 2,-0.2 5,-0.2 0.890 109.8 51.0 -63.0 -40.9 50.1 24.7 59.1 37 65 A Y H X S+ 0 0 37 -4,-2.4 4,-3.6 -7,-0.3 5,-0.3 0.979 108.9 48.5 -65.5 -52.9 50.4 25.8 55.6 38 66 A L H X S+ 0 0 35 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.888 117.4 42.0 -50.7 -45.1 47.0 27.4 55.4 39 67 A L H X S+ 0 0 5 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.938 112.8 54.5 -72.2 -40.4 47.6 29.3 58.7 40 68 A F H X S+ 0 0 2 -4,-3.4 4,-1.7 1,-0.2 -2,-0.2 0.957 111.3 44.9 -59.3 -47.6 51.2 30.1 57.6 41 69 A R H X S+ 0 0 60 -4,-3.6 4,-3.0 1,-0.2 5,-0.3 0.824 108.4 54.6 -72.0 -27.4 49.9 31.6 54.4 42 70 A D H X>S+ 0 0 50 -4,-1.9 4,-2.7 -5,-0.3 5,-0.5 0.906 111.3 47.4 -66.3 -39.3 47.1 33.6 55.9 43 71 A F H X5S+ 0 0 12 -4,-2.1 4,-0.9 3,-0.2 5,-0.2 0.810 116.0 44.5 -61.1 -39.1 49.6 35.2 58.2 44 72 A C H X5S+ 0 0 0 -4,-1.7 4,-0.7 -5,-0.2 8,-0.2 0.893 119.9 40.2 -79.7 -36.2 51.9 35.9 55.3 45 73 A L H <5S+ 0 0 40 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.933 127.7 26.0 -80.4 -46.3 49.2 37.2 53.0 46 74 A K H <5S+ 0 0 156 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 0.811 130.4 31.6 -88.3 -30.5 47.0 39.3 55.3 47 75 A H H <4 S+ 0 0 144 -2,-0.4 3,-1.0 1,-0.2 -1,-0.2 0.948 90.0 53.4 -68.9 -49.4 54.0 43.0 53.9 50 78 A E T 34 S+ 0 0 113 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.788 108.8 52.2 -58.2 -26.6 57.4 41.6 53.2 51 79 A A T >> S+ 0 0 0 -7,-0.2 4,-1.5 1,-0.2 3,-0.8 0.615 86.8 76.6 -91.9 -16.6 56.1 38.0 52.9 52 80 A K H S+ 0 0 8 -3,-0.8 4,-2.1 -4,-0.2 -2,-0.2 0.768 115.1 41.5 -86.9 -38.5 57.1 35.2 48.3 55 83 A V H X S+ 0 0 3 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.897 114.7 50.9 -77.2 -39.5 53.9 33.2 49.0 56 84 A E H X S+ 0 0 67 -4,-3.1 4,-1.5 2,-0.2 -1,-0.2 0.945 113.4 46.5 -58.9 -41.7 52.1 34.5 46.0 57 85 A F H > S+ 0 0 0 -4,-0.4 4,-2.4 -5,-0.4 -2,-0.2 0.903 112.1 52.5 -68.9 -38.6 55.2 33.4 44.0 58 86 A Y H X S+ 0 0 36 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.906 110.6 44.9 -58.0 -47.1 55.2 30.1 45.8 59 87 A E H X S+ 0 0 35 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.763 112.1 52.6 -78.0 -20.8 51.6 29.4 45.0 60 88 A E H X S+ 0 0 59 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.832 109.0 48.9 -85.2 -37.5 52.0 30.4 41.4 61 89 A I H X S+ 0 0 1 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.854 108.9 56.4 -59.4 -35.3 55.0 28.1 40.9 62 90 A K H X S+ 0 0 56 -4,-1.4 4,-1.1 1,-0.2 -2,-0.2 0.862 107.7 45.1 -74.1 -37.5 52.9 25.4 42.5 63 91 A K H < S+ 0 0 121 -4,-1.2 -1,-0.2 1,-0.2 4,-0.2 0.859 107.6 60.3 -63.7 -43.4 50.1 25.8 39.9 64 92 A Y H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.830 100.5 55.1 -57.0 -31.7 52.7 25.9 37.2 65 93 A E H 3< S+ 0 0 48 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.932 104.3 53.6 -69.6 -47.0 53.9 22.4 38.3 66 94 A K T 3< S+ 0 0 152 -4,-1.1 -1,-0.3 -3,-0.1 -2,-0.2 0.267 81.9 113.3 -67.2 4.0 50.4 20.9 37.9 67 95 A L < - 0 0 37 -3,-1.0 3,-0.0 -4,-0.2 -3,-0.0 -0.557 55.8-150.9 -78.9 157.2 49.9 22.2 34.2 68 96 A E + 0 0 42 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.752 62.6 50.2-101.6 -34.8 49.7 19.4 31.5 69 97 A T S > S- 0 0 63 1,-0.1 4,-2.1 0, 0.0 3,-0.4 -0.828 70.5-126.1-118.7 150.8 51.1 20.7 28.2 70 98 A E H > S+ 0 0 112 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.877 109.7 61.3 -56.1 -38.3 54.2 22.5 27.0 71 99 A E H > S+ 0 0 169 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.903 108.5 39.6 -55.6 -46.7 51.8 25.1 25.4 72 100 A E H > S+ 0 0 73 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.915 114.8 52.7 -75.7 -40.8 50.3 26.2 28.7 73 101 A R H X S+ 0 0 37 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.907 104.8 57.1 -58.9 -45.5 53.6 26.0 30.6 74 102 A L H X S+ 0 0 34 -4,-2.8 4,-1.4 1,-0.2 3,-0.4 0.956 112.7 39.1 -51.3 -60.6 55.3 28.3 28.0 75 103 A V H X S+ 0 0 83 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.882 116.6 48.7 -58.6 -45.9 52.8 31.1 28.5 76 104 A C H X S+ 0 0 21 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.751 107.9 54.5 -76.7 -20.4 52.4 30.8 32.2 77 105 A S H X S+ 0 0 0 -4,-2.2 4,-1.9 -3,-0.4 -1,-0.2 0.787 105.8 53.6 -78.6 -27.8 56.2 30.7 32.9 78 106 A R H X S+ 0 0 109 -4,-1.4 4,-2.4 -5,-0.3 -2,-0.2 0.914 108.0 50.2 -70.0 -40.0 56.5 34.0 30.9 79 107 A E H X S+ 0 0 111 -4,-1.7 4,-1.5 2,-0.2 5,-0.3 0.793 112.3 47.7 -63.3 -34.1 53.8 35.6 33.2 80 108 A I H X>S+ 0 0 0 -4,-1.1 4,-1.7 2,-0.2 5,-1.1 0.870 112.0 48.2 -76.8 -41.6 55.7 34.4 36.3 81 109 A F H X>S+ 0 0 21 -4,-1.9 5,-2.8 3,-0.2 4,-0.9 0.968 114.1 46.5 -58.2 -52.1 59.0 35.6 35.1 82 110 A D H <>S+ 0 0 96 -4,-2.4 5,-0.7 3,-0.2 -2,-0.2 0.848 124.4 31.6 -60.8 -38.3 57.5 39.0 34.2 83 111 A T H <>S+ 0 0 56 -4,-1.5 5,-0.9 3,-0.2 4,-0.4 0.944 128.4 28.5 -89.4 -60.6 55.7 39.5 37.5 84 112 A Y H <5S+ 0 0 28 -4,-1.7 -3,-0.2 -5,-0.3 -2,-0.1 0.823 134.2 27.9 -81.6 -26.1 57.5 37.8 40.3 85 113 A I T X4XS+ 0 0 7 -5,-0.9 5,-2.7 1,-0.2 3,-1.0 0.910 113.5 55.9 -57.9 -42.6 60.1 43.0 41.8 89 117 A L H ><5S+ 0 0 78 -4,-2.2 3,-0.5 1,-0.3 -1,-0.2 0.779 109.1 46.4 -66.2 -27.8 63.6 43.3 40.2 90 118 A L H 3<5S+ 0 0 142 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.553 111.5 52.5 -90.6 -11.0 62.7 46.7 38.7 91 119 A A T <<5S- 0 0 57 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.129 115.0-111.6-106.1 16.4 61.2 47.9 42.0 92 120 A C T < 5S+ 0 0 133 -3,-0.5 -3,-0.2 1,-0.1 -4,-0.1 0.831 91.3 110.0 56.5 37.5 64.3 47.0 44.1 93 121 A S < + 0 0 65 -5,-2.7 -4,-0.2 -6,-0.1 -5,-0.1 -0.011 31.1 118.0-134.2 24.8 62.3 44.3 45.7 94 122 A H - 0 0 28 -6,-0.3 -9,-0.0 -5,-0.1 -2,-0.0 -0.816 37.5-171.5-105.5 97.2 63.8 40.9 44.5 95 123 A P + 0 0 67 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.355 52.7 102.7 -62.4 5.5 65.2 38.8 47.5 96 124 A F S S- 0 0 16 1,-0.1 -2,-0.1 -11,-0.1 25,-0.1 -0.485 72.0 -93.0-108.3 169.7 66.8 36.1 45.2 97 125 A S > - 0 0 35 -2,-0.2 4,-1.6 1,-0.1 5,-0.2 -0.215 23.9-119.5 -86.2 159.8 70.2 35.3 43.9 98 126 A K H > S+ 0 0 171 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.791 119.3 48.4 -64.8 -29.8 72.0 36.3 40.8 99 127 A S H > S+ 0 0 84 2,-0.2 4,-1.5 1,-0.1 -1,-0.2 0.850 105.2 58.5 -79.3 -35.2 72.2 32.6 39.9 100 128 A A H >> S+ 0 0 2 1,-0.2 4,-1.2 2,-0.2 3,-0.6 0.939 104.8 49.9 -53.9 -50.3 68.5 32.0 40.6 101 129 A I H 3X S+ 0 0 25 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.779 111.3 49.9 -64.6 -32.6 67.4 34.6 38.0 102 130 A E H 3X S+ 0 0 113 -4,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.682 99.4 62.4 -82.1 -22.6 69.7 33.1 35.3 103 131 A H H X S+ 0 0 0 -4,-1.2 4,-3.0 1,-0.2 3,-1.2 0.985 115.3 51.4 -72.8 -59.7 65.1 30.6 34.6 105 133 A Q H 3X S+ 0 0 94 -4,-1.8 4,-1.7 1,-0.3 -1,-0.2 0.769 108.2 56.6 -48.9 -31.2 66.1 33.2 32.1 106 134 A G H 3< S+ 0 0 32 -4,-1.5 -1,-0.3 2,-0.2 4,-0.2 0.822 113.8 35.1 -74.5 -36.5 68.4 30.6 30.4 107 135 A H H X<>S+ 0 0 57 -3,-1.2 5,-2.2 -4,-1.1 3,-0.7 0.846 116.8 55.6 -81.2 -39.8 65.7 27.9 29.8 108 136 A L H ><5S+ 0 0 26 -4,-3.0 3,-1.2 1,-0.2 -2,-0.2 0.857 103.8 52.7 -60.4 -41.4 63.0 30.5 29.1 109 137 A V T 3<5S+ 0 0 115 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.1 0.671 113.5 45.7 -68.0 -19.3 64.9 32.2 26.3 110 138 A K T < 5S- 0 0 149 -3,-0.7 -1,-0.2 -4,-0.2 -2,-0.2 0.232 113.1-121.3-104.7 12.3 65.3 28.7 24.7 111 139 A K T < 5 + 0 0 126 -3,-1.2 2,-0.5 1,-0.2 -3,-0.2 0.817 65.9 138.3 45.5 42.2 61.6 27.9 25.3 112 140 A Q < + 0 0 80 -5,-2.2 -1,-0.2 -38,-0.1 -2,-0.2 -0.974 21.9 168.7-108.3 124.6 62.3 24.8 27.4 113 141 A V + 0 0 4 -2,-0.5 -40,-0.1 -3,-0.1 -39,-0.1 -0.567 5.3 176.1-145.2 68.7 59.8 24.8 30.3 114 142 A P > - 0 0 38 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.414 46.9-107.0 -69.0 158.0 59.7 21.7 32.3 115 143 A P T 3 S+ 0 0 45 0, 0.0 3,-0.4 0, 0.0 -48,-0.1 0.691 122.0 55.9 -56.3 -19.7 57.4 21.6 35.4 116 144 A D T > S+ 0 0 104 1,-0.2 3,-1.5 2,-0.1 -51,-0.1 0.211 71.5 112.2-100.0 18.0 60.5 21.8 37.6 117 145 A L T < S+ 0 0 1 -3,-2.1 -1,-0.2 1,-0.3 -10,-0.1 0.780 81.2 44.5 -55.9 -31.6 61.8 24.9 35.9 118 146 A F T >> S+ 0 0 0 -3,-0.4 3,-1.6 -4,-0.2 4,-1.2 0.374 76.1 111.1-101.1 6.3 61.2 26.9 39.1 119 147 A Q H X> S+ 0 0 71 -3,-1.5 4,-1.5 1,-0.3 3,-1.0 0.879 76.3 54.6 -53.3 -46.1 62.7 24.4 41.7 120 148 A P H 3> S+ 0 0 37 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.816 106.6 53.4 -55.5 -30.7 65.7 26.7 42.5 121 149 A Y H <> S+ 0 0 0 -3,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.736 103.1 57.8 -77.2 -22.3 63.3 29.4 43.3 122 150 A I H XX S+ 0 0 13 -4,-1.2 4,-1.9 -3,-1.0 3,-1.4 0.998 106.6 45.5 -68.4 -64.4 61.3 27.2 45.7 123 151 A E H 3X S+ 0 0 120 -4,-1.5 4,-1.9 1,-0.3 -2,-0.2 0.827 112.7 52.1 -44.7 -45.4 64.2 26.5 47.9 124 152 A E H 3X S+ 0 0 51 -4,-1.3 4,-2.2 -5,-0.2 -1,-0.3 0.803 105.7 55.4 -65.5 -31.3 65.3 30.2 48.0 125 153 A I H S+ 0 0 0 -4,-2.2 5,-0.6 1,-0.1 -1,-0.2 0.527 101.3 77.2 -93.4 -12.6 60.4 32.5 54.8 130 158 A R T <5S+ 0 0 104 -4,-2.1 -103,-0.3 -3,-0.4 -2,-0.1 0.507 98.8 34.3 -79.6 -8.1 62.3 30.2 57.3 131 159 A G T >5S+ 0 0 35 -4,-0.3 4,-2.7 -3,-0.2 5,-0.3 0.389 125.3 0.6-118.6-118.7 63.7 33.0 59.5 132 160 A D H >5S+ 0 0 95 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.942 131.6 54.8 -42.5 -51.2 62.5 36.4 60.7 133 161 A V H >5S+ 0 0 2 -5,-0.4 4,-1.2 1,-0.3 -1,-0.2 0.916 110.7 44.7 -52.7 -50.8 59.3 35.7 58.7 134 162 A F H >< S+ 0 0 0 -4,-1.2 3,-1.4 -5,-0.3 6,-0.7 0.905 105.4 49.9 -68.5 -46.0 54.5 33.8 62.6 138 166 A I H 3< S+ 0 0 15 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.919 105.6 58.3 -58.2 -39.3 55.2 32.0 65.9 139 167 A E T 3< S+ 0 0 156 -4,-2.0 -1,-0.3 -5,-0.1 2,-0.2 0.217 102.6 87.9 -71.1 15.8 54.6 35.3 67.7 140 168 A S S X> S- 0 0 18 -3,-1.4 4,-1.8 -5,-0.1 3,-0.6 -0.699 88.0-108.8-130.8 166.9 51.1 35.5 66.2 141 169 A D H 3> S+ 0 0 129 1,-0.2 4,-2.0 -2,-0.2 5,-0.1 0.752 113.6 60.8 -59.5 -30.1 47.4 34.7 66.4 142 170 A K H 3> S+ 0 0 30 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.859 102.2 48.1 -73.0 -35.9 47.9 32.3 63.6 143 171 A F H <> S+ 0 0 0 -6,-0.7 4,-2.5 -3,-0.6 -2,-0.2 0.932 109.3 57.0 -65.4 -40.1 50.3 30.1 65.3 144 172 A T H X S+ 0 0 17 -4,-1.8 4,-1.9 1,-0.3 -2,-0.2 0.927 106.9 47.5 -48.3 -50.2 47.9 30.2 68.2 145 173 A R H X S+ 0 0 12 -4,-2.0 4,-2.1 2,-0.2 -1,-0.3 0.865 104.7 59.3 -65.4 -33.0 45.2 28.8 66.0 146 174 A F H X S+ 0 0 2 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.966 107.3 48.3 -59.5 -47.3 47.6 26.1 64.7 147 175 A C H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.862 105.6 57.6 -55.7 -41.2 47.8 25.0 68.3 148 176 A Q H X S+ 0 0 2 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.953 114.4 37.8 -59.3 -44.8 44.1 25.0 68.7 149 177 A W H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.856 113.8 54.7 -70.5 -37.2 43.7 22.6 65.8 150 178 A K H X S+ 0 0 9 -4,-2.6 4,-2.1 1,-0.3 -1,-0.2 0.738 104.1 55.3 -73.5 -29.6 46.8 20.5 66.7 151 179 A N H X S+ 0 0 5 -4,-1.9 4,-0.8 -5,-0.2 -1,-0.3 0.943 107.9 49.8 -64.1 -49.2 45.4 20.0 70.1 152 180 A V H >< S+ 0 0 22 -4,-1.5 3,-0.9 1,-0.2 -2,-0.2 0.921 110.6 50.9 -59.2 -40.0 42.3 18.6 68.5 153 181 A E H >< S+ 0 0 16 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.928 111.1 45.6 -60.6 -47.2 44.4 16.4 66.3 154 182 A L H 3< S+ 0 0 57 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.414 107.2 60.9 -85.5 0.8 46.4 14.9 69.1 155 183 A N T << S+ 0 0 46 -3,-0.9 2,-0.6 -4,-0.8 -1,-0.3 -0.315 73.2 140.1-114.6 44.6 43.3 14.3 71.2 156 184 A I < + 0 0 36 -3,-0.7 2,-0.3 2,-0.0 -3,-0.1 -0.796 17.7 166.7 -96.0 123.3 41.5 12.0 68.8 157 185 A H - 0 0 112 -2,-0.6 2,-0.1 76,-0.0 76,-0.1 -0.823 19.4-160.6-133.6 96.6 39.7 9.0 70.3 158 186 A L + 0 0 20 -2,-0.3 76,-0.2 74,-0.2 2,-0.2 -0.460 17.5 161.5 -86.3 148.6 37.4 7.3 67.9 159 187 A T - 0 0 65 -2,-0.1 76,-0.1 74,-0.1 -1,-0.0 -0.602 55.0 -90.8-131.4-161.4 34.4 5.1 68.6 160 188 A M S > S+ 0 0 69 -2,-0.2 3,-1.2 1,-0.1 5,-0.1 0.691 122.0 64.2 -86.4 -26.0 31.3 3.8 66.7 161 189 A N T 3 S+ 0 0 150 1,-0.2 -1,-0.1 3,-0.1 -3,-0.0 0.634 89.1 70.1 -70.5 -15.6 29.3 6.8 68.0 162 190 A D T 3 S+ 0 0 51 20,-0.1 21,-1.0 21,-0.1 22,-0.4 0.435 98.6 55.3 -83.7 0.9 31.7 9.0 66.0 163 191 A F E < S-A 182 0A 15 -3,-1.2 2,-0.6 19,-0.2 19,-0.2 -0.990 72.7-136.5-131.7 141.3 30.2 7.8 62.7 164 192 A S E -A 181 0A 60 17,-2.9 17,-2.1 -2,-0.4 2,-0.2 -0.900 29.4-145.7 -84.2 118.5 26.7 7.7 61.1 165 193 A V E +A 180 0A 76 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.634 25.0 168.7 -84.6 148.7 26.4 4.2 59.4 166 194 A H E - 0 0 99 13,-2.0 2,-0.3 1,-0.3 14,-0.2 0.676 51.5 -10.6-120.9 -76.0 24.4 3.9 56.1 167 195 A R E - 0 0 189 12,-0.4 12,-3.2 10,-0.0 -1,-0.3 -0.916 61.2-105.2-135.3 154.8 24.6 0.6 54.1 168 196 A I E +A 178 0A 102 -2,-0.3 10,-0.2 10,-0.3 3,-0.1 -0.362 32.1 176.8 -69.5 162.4 26.6 -2.7 53.9 169 197 A I E - 0 0 61 8,-1.6 2,-0.2 1,-0.4 9,-0.2 0.361 58.2 -3.8-145.5 -11.0 29.1 -2.7 51.0 170 198 A G E -A 177 0A 27 7,-0.7 7,-3.3 79,-0.0 2,-0.6 -0.882 53.0-129.8-177.6 149.7 31.0 -6.0 51.3 171 199 A R E -A 176 0A 222 -2,-0.2 5,-0.2 5,-0.2 2,-0.1 -0.950 25.5-170.9-111.3 110.7 31.5 -9.1 53.4 172 200 A G - 0 0 40 3,-2.2 5,-0.0 -2,-0.6 4,-0.0 -0.129 37.2-101.9 -73.7-174.4 35.1 -10.0 54.2 173 201 A G S S+ 0 0 61 1,-0.1 3,-0.1 -2,-0.1 -1,-0.0 0.787 121.0 30.2 -89.2 -33.0 36.2 -13.3 55.9 174 202 A F S S- 0 0 36 1,-0.3 21,-1.4 30,-0.0 2,-0.3 0.634 134.7 -31.4 -92.2 -24.0 36.7 -12.0 59.4 175 203 A G - 0 0 2 19,-0.2 -3,-2.2 23,-0.1 -1,-0.3 -0.993 67.0 -66.9-179.1-169.9 34.1 -9.4 59.0 176 204 A E E -A 171 0A 44 -2,-0.3 17,-2.2 -5,-0.2 2,-0.6 -0.475 23.6-135.2-111.1 159.2 32.0 -6.9 57.1 177 205 A V E -AB 170 192A 28 -7,-3.3 -8,-1.6 15,-0.2 -7,-0.7 -0.863 23.6-174.0-121.2 95.1 32.4 -3.5 55.3 178 206 A Y E -AB 168 191A 76 13,-1.5 13,-2.6 -2,-0.6 2,-0.3 -0.472 22.2-127.5 -78.4 158.1 29.8 -0.8 55.9 179 207 A G E + B 0 190A 5 -12,-3.2 -13,-2.0 11,-0.2 -12,-0.4 -0.807 43.9 157.1 -99.4 152.7 29.6 2.5 54.2 180 208 A C E -AB 165 189A 3 9,-2.9 9,-3.1 -2,-0.3 2,-0.3 -0.909 37.0-121.0-165.7-179.8 29.4 5.6 56.5 181 209 A R E -AB 164 188A 97 -17,-2.1 -17,-2.9 7,-0.2 2,-0.4 -0.967 22.5-129.7-146.2 124.9 29.9 9.4 57.4 182 210 A K E >> -A 163 0A 0 5,-1.7 4,-2.6 -2,-0.3 3,-0.7 -0.640 15.5-151.3 -72.8 120.7 32.0 11.2 60.1 183 211 A A T 34 S+ 0 0 33 -21,-1.0 -1,-0.2 -2,-0.4 -179,-0.1 0.904 89.2 72.3 -62.2 -43.9 29.6 13.5 61.9 184 212 A D T 34 S- 0 0 25 -22,-0.4 -180,-0.6 1,-0.2 -1,-0.2 0.804 127.0 -9.8 -17.7 -62.7 32.5 15.8 62.7 185 213 A T T <4 S- 0 0 21 -3,-0.7 -2,-0.2 -182,-0.1 -1,-0.2 0.586 89.2-108.2-129.9 -38.5 32.8 17.0 59.1 186 214 A G < + 0 0 22 -4,-2.6 -3,-0.1 1,-0.3 -2,-0.1 0.250 54.6 164.2 107.0 -8.4 30.6 15.0 56.8 187 215 A K - 0 0 57 -5,-0.2 -5,-1.7 -6,-0.1 2,-0.4 -0.120 39.9-126.4 -47.5 129.2 33.4 13.1 55.1 188 216 A M E +B 181 0A 98 -7,-0.2 57,-0.4 -3,-0.1 2,-0.3 -0.682 44.9 169.6 -74.9 129.2 32.0 10.2 53.2 189 217 A Y E -B 180 0A 2 -9,-3.1 -9,-2.9 -2,-0.4 2,-0.4 -0.896 34.1-127.9-139.7 168.5 33.8 7.1 54.4 190 218 A A E -BC 179 243A 6 53,-2.6 53,-2.8 -2,-0.3 2,-0.5 -0.942 19.1-154.3-117.8 148.0 34.0 3.3 54.5 191 219 A M E -BC 178 242A 4 -13,-2.6 -13,-1.5 -2,-0.4 2,-0.6 -0.979 6.4-167.7-129.0 118.2 34.4 1.2 57.6 192 220 A K E -BC 177 241A 31 49,-2.7 49,-0.9 -2,-0.5 2,-0.4 -0.934 12.6-170.9-104.3 110.0 35.9 -2.3 57.7 193 221 A C E - C 0 240A 4 -17,-2.2 2,-0.5 -2,-0.6 47,-0.2 -0.864 5.1-160.6-104.0 142.2 35.2 -4.1 61.1 194 222 A L E - C 0 239A 4 45,-1.9 45,-1.7 -2,-0.4 -19,-0.2 -0.974 17.8-129.2-127.9 114.0 36.9 -7.3 62.0 195 223 A D E > - C 0 238A 26 -21,-1.4 4,-1.8 -2,-0.5 43,-0.2 -0.414 10.0-152.7 -62.5 128.2 35.5 -9.7 64.7 196 224 A K H > S+ 0 0 10 41,-1.6 4,-2.0 1,-0.2 5,-0.2 0.808 94.0 57.8 -74.2 -27.0 38.3 -10.6 67.1 197 225 A K H > S+ 0 0 89 40,-0.4 4,-0.7 2,-0.2 -1,-0.2 0.822 109.3 44.4 -69.0 -33.1 36.5 -13.9 68.0 198 226 A R H > S+ 0 0 107 -24,-0.2 4,-3.5 2,-0.2 5,-0.2 0.895 112.7 50.8 -79.0 -43.3 36.7 -15.0 64.3 199 227 A I H X>S+ 0 0 0 -4,-1.8 5,-2.0 2,-0.2 4,-1.2 0.899 111.6 47.3 -52.6 -52.9 40.3 -13.8 63.8 200 228 A K H <5S+ 0 0 60 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.740 116.1 47.1 -66.7 -26.5 41.5 -15.7 66.9 201 229 A M H <5S+ 0 0 117 -4,-0.7 -2,-0.2 -5,-0.2 -1,-0.2 0.938 117.4 39.0 -78.8 -51.0 39.6 -18.7 65.6 202 230 A K H <5S- 0 0 144 -4,-3.5 -2,-0.2 1,-0.1 -3,-0.2 0.550 106.9-126.0 -74.8 -7.8 40.8 -18.5 62.0 203 231 A Q T <5 + 0 0 151 -4,-1.2 3,-0.4 -5,-0.2 4,-0.2 0.877 64.8 140.2 58.1 40.1 44.3 -17.6 63.3 204 232 A G >< + 0 0 6 -5,-2.0 4,-2.7 1,-0.2 5,-0.2 0.008 29.9 111.2 -95.4 29.3 44.4 -14.5 61.1 205 233 A E H > S+ 0 0 50 -6,-0.4 4,-2.7 2,-0.2 5,-0.2 0.940 80.2 47.0 -68.0 -45.1 46.1 -12.5 63.8 206 234 A T H > S+ 0 0 116 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.897 115.8 47.6 -54.3 -44.0 49.3 -12.3 61.7 207 235 A L H > S+ 0 0 60 -4,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.873 113.6 44.8 -68.5 -40.2 47.2 -11.4 58.8 208 236 A A H X S+ 0 0 2 -4,-2.7 4,-1.6 2,-0.2 5,-0.2 0.957 113.8 50.1 -70.4 -52.4 45.1 -8.7 60.6 209 237 A L H X S+ 0 0 96 -4,-2.7 4,-2.1 1,-0.2 3,-0.4 0.951 110.1 52.5 -44.3 -55.8 48.2 -7.2 62.2 210 238 A N H X S+ 0 0 40 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.876 103.1 55.6 -57.5 -46.2 49.9 -7.1 58.8 211 239 A E H X S+ 0 0 11 -4,-2.1 4,-3.2 1,-0.2 -1,-0.2 0.911 111.6 43.9 -51.4 -50.1 47.1 -5.2 57.0 212 240 A R H X S+ 0 0 27 -4,-1.6 4,-1.2 -3,-0.4 -1,-0.2 0.882 113.1 49.9 -66.6 -44.3 47.3 -2.3 59.5 213 241 A I H X S+ 0 0 69 -4,-2.1 4,-0.9 -5,-0.2 -1,-0.2 0.939 117.3 43.3 -57.2 -42.8 51.0 -2.2 59.6 214 242 A M H X S+ 0 0 5 -4,-3.1 4,-1.0 -5,-0.2 -2,-0.2 0.822 107.6 56.7 -76.2 -36.3 50.9 -2.1 55.8 215 243 A L H X S+ 0 0 5 -4,-3.2 4,-1.7 -5,-0.2 14,-0.5 0.740 105.6 53.9 -64.9 -25.8 48.0 0.4 55.4 216 244 A S H 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