==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 19-NOV-09 3KRW . COMPND 2 MOLECULE: BETA-ADRENERGIC RECEPTOR KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.J.G.TESMER,V.M.TESMER . 1017 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49516.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 692 68.0 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 21.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 11 1.1 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 . 4 0.4 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 . 66 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 268 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 3 3 1 0 2 1 2 2 1 2 3 2 1 0 0 0 2 1 0 0 1 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 . 4 2 3 5 18 2 2 1 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 1 8 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 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 30 A K 0 0 222 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -54.2 27.2 17.6 67.6 2 31 A K - 0 0 178 1,-0.1 2,-0.2 181,-0.1 181,-0.1 -0.368 360.0 -89.0 -83.1 157.4 29.3 20.3 65.9 3 32 A I - 0 0 20 179,-0.6 2,-0.6 -2,-0.1 -1,-0.1 -0.447 35.8-163.5 -67.0 129.8 33.0 21.1 66.7 4 33 A L - 0 0 145 -2,-0.2 -1,-0.0 -3,-0.1 481,-0.0 -0.951 14.9-140.5-115.1 108.5 33.5 23.6 69.4 5 34 A L - 0 0 10 -2,-0.6 142,-0.1 480,-0.1 141,-0.1 -0.351 20.5-115.0 -64.4 146.7 37.0 25.1 69.4 6 35 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 144,-0.1 -0.293 43.2 -83.9 -71.1 170.5 38.7 25.7 72.7 7 36 A E > - 0 0 68 1,-0.1 3,-1.9 -2,-0.0 4,-0.2 -0.236 38.7-103.7 -77.0 164.0 39.6 29.2 73.8 8 37 A P T > S+ 0 0 43 0, 0.0 3,-2.5 0, 0.0 4,-0.2 0.773 112.7 76.5 -58.9 -29.1 42.7 31.1 72.7 9 38 A S T >> S+ 0 0 33 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.748 73.6 81.8 -55.1 -26.1 44.3 30.6 76.2 10 39 A I H X> S+ 0 0 7 -3,-1.9 4,-3.3 1,-0.3 3,-0.6 0.739 74.7 77.5 -48.1 -26.5 44.9 27.0 75.0 11 40 A R H <> S+ 0 0 44 -3,-2.5 4,-3.0 1,-0.2 5,-0.5 0.906 82.9 61.1 -50.5 -48.4 48.0 28.5 73.3 12 41 A S H <> S+ 0 0 23 -3,-1.5 4,-0.8 -4,-0.2 -1,-0.2 0.871 117.3 30.5 -49.9 -41.8 49.9 28.6 76.6 13 42 A V H <>S+ 0 0 1 -4,-3.0 5,-2.2 1,-0.2 3,-1.5 0.937 111.3 53.7 -60.9 -50.5 54.4 21.5 70.3 19 48 A E H ><5S+ 0 0 112 -4,-3.3 3,-1.3 1,-0.3 -1,-0.2 0.826 103.7 58.3 -53.3 -35.0 57.8 23.2 71.0 20 49 A D H 3<5S+ 0 0 77 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.743 111.1 41.7 -67.9 -25.1 58.8 20.1 73.1 21 50 A R T <<5S- 0 0 95 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.106 114.4-116.8-106.7 15.8 58.3 18.0 70.0 22 51 A G T < 5S+ 0 0 43 -3,-1.3 -3,-0.2 1,-0.1 6,-0.1 0.801 75.0 132.5 52.5 34.9 59.9 20.5 67.6 23 52 A E < + 0 0 47 -5,-2.2 2,-0.8 1,-0.2 -4,-0.2 0.354 44.2 84.7 -98.3 4.4 56.7 20.9 65.8 24 53 A V + 0 0 16 -6,-0.3 2,-0.3 -5,-0.1 -1,-0.2 -0.590 65.8 114.2-103.8 67.6 56.7 24.7 65.7 25 54 A T S > S- 0 0 49 -2,-0.8 4,-2.1 1,-0.1 5,-0.3 -0.938 76.8-115.6-129.6 154.4 58.9 25.1 62.6 26 55 A F H > S+ 0 0 10 -2,-0.3 4,-2.8 102,-0.2 5,-0.4 0.933 116.3 48.7 -52.9 -50.5 58.0 26.6 59.3 27 56 A E H > S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.930 111.1 49.2 -57.8 -48.3 58.5 23.2 57.6 28 57 A K H 4 S+ 0 0 99 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.871 122.1 32.0 -63.6 -37.2 56.4 21.3 60.1 29 58 A I H >< S+ 0 0 1 -4,-2.1 3,-1.9 1,-0.1 7,-0.5 0.901 115.5 54.8 -87.2 -47.9 53.4 23.7 60.0 30 59 A F H 3< S+ 0 0 24 -4,-2.8 -3,-0.2 -5,-0.3 6,-0.2 0.834 103.3 58.9 -55.1 -37.0 53.6 24.9 56.3 31 60 A S T 3< S+ 0 0 93 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.3 0.165 92.8 87.0 -83.2 19.5 53.5 21.3 55.2 32 61 A Q S <> S- 0 0 26 -3,-1.9 4,-4.6 1,-0.1 5,-0.3 -0.966 79.2-131.3-119.2 143.0 50.1 20.8 56.9 33 62 A K H > S+ 0 0 98 -2,-0.4 4,-2.6 1,-0.2 -1,-0.1 0.912 109.3 32.9 -58.2 -52.2 46.8 21.6 55.3 34 63 A L H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.840 119.2 54.1 -73.4 -36.8 45.3 23.6 58.2 35 64 A G H > S+ 0 0 0 2,-0.2 4,-2.3 -6,-0.2 -2,-0.2 0.979 112.5 44.7 -55.3 -55.5 48.8 24.9 59.1 36 65 A Y H X S+ 0 0 36 -4,-4.6 4,-2.7 -7,-0.5 5,-0.3 0.923 111.6 52.4 -53.7 -50.5 49.2 26.1 55.5 37 66 A L H X S+ 0 0 41 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.2 0.903 112.6 43.2 -60.4 -44.1 45.6 27.6 55.4 38 67 A L H X S+ 0 0 5 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.863 113.0 55.1 -68.3 -35.6 46.1 29.7 58.5 39 68 A F H X S+ 0 0 2 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.940 109.2 44.2 -61.9 -50.2 49.6 30.7 57.4 40 69 A R H X S+ 0 0 64 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.836 108.6 58.6 -67.1 -33.1 48.5 32.1 54.0 41 70 A D H X S+ 0 0 53 -4,-1.7 4,-2.3 -5,-0.3 5,-0.3 0.914 108.7 47.4 -55.3 -45.3 45.5 33.9 55.7 42 71 A F H X S+ 0 0 14 -4,-1.7 4,-2.2 1,-0.2 5,-0.4 0.954 116.0 41.4 -61.6 -53.8 48.1 35.7 57.8 43 72 A C H X S+ 0 0 0 -4,-2.2 4,-0.7 3,-0.2 8,-0.3 0.876 119.3 44.1 -64.7 -41.4 50.4 36.6 54.9 44 73 A L H < S+ 0 0 31 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.926 129.0 22.6 -72.3 -44.1 47.6 37.6 52.5 45 74 A N H < S+ 0 0 95 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.573 132.1 31.1-102.4 -11.8 45.4 39.6 54.9 46 75 A H H < S+ 0 0 94 -4,-2.2 2,-0.2 -5,-0.3 -3,-0.2 0.422 111.2 48.0-134.6 1.0 47.8 40.7 57.7 47 76 A L >X - 0 0 26 -4,-0.7 3,-1.2 -5,-0.4 4,-1.1 -0.732 54.5-165.7-149.2 97.7 51.3 41.2 56.4 48 77 A E T 34 S+ 0 0 122 1,-0.3 -1,-0.1 -2,-0.2 -5,-0.0 0.700 89.5 57.7 -57.6 -24.6 51.8 43.3 53.2 49 78 A E T 34 S+ 0 0 103 1,-0.2 4,-0.5 2,-0.1 -1,-0.3 0.854 108.9 44.1 -73.5 -36.1 55.4 42.1 52.8 50 79 A A T <> S+ 0 0 0 -3,-1.2 4,-2.2 -7,-0.2 5,-0.3 0.657 95.5 84.0 -81.2 -15.7 54.5 38.4 52.7 51 80 A R H X S+ 0 0 60 -4,-1.1 4,-3.0 -8,-0.3 5,-0.3 0.954 90.1 41.1 -59.5 -62.8 51.5 38.9 50.4 52 81 A P H > S+ 0 0 14 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.856 113.2 58.0 -57.9 -33.0 53.1 38.9 46.9 53 82 A L H > S+ 0 0 9 -4,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.957 113.1 36.8 -57.5 -54.2 55.4 36.0 48.0 54 83 A V H X S+ 0 0 3 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.887 114.5 56.0 -68.3 -39.7 52.4 33.7 48.9 55 84 A E H X S+ 0 0 49 -4,-3.0 4,-1.6 -5,-0.3 -1,-0.2 0.940 112.2 44.6 -53.9 -45.1 50.3 35.0 45.9 56 85 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.864 109.6 54.2 -71.8 -38.4 53.2 34.0 43.7 57 86 A Y H X S+ 0 0 28 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.973 111.3 46.0 -54.0 -54.1 53.7 30.6 45.5 58 87 A E H X S+ 0 0 56 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.777 109.7 54.7 -65.3 -27.9 50.0 29.8 44.9 59 88 A E H X S+ 0 0 53 -4,-1.6 4,-1.5 -5,-0.2 3,-0.3 0.939 108.8 47.4 -68.8 -46.4 50.3 31.0 41.3 60 89 A I H X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.822 107.6 58.6 -61.0 -31.9 53.2 28.6 40.6 61 90 A K H X S+ 0 0 71 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.879 102.4 51.2 -69.6 -36.1 51.2 25.8 42.3 62 91 A K H < S+ 0 0 110 -4,-1.4 3,-0.5 -3,-0.3 -1,-0.2 0.883 108.8 53.5 -63.1 -39.1 48.4 26.2 39.8 63 92 A Y H >< S+ 0 0 0 -4,-1.5 3,-1.6 1,-0.2 -2,-0.2 0.877 100.7 59.2 -62.6 -39.9 51.0 25.9 37.0 64 93 A E H 3< S+ 0 0 64 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.828 103.9 54.0 -58.0 -31.0 52.3 22.6 38.5 65 94 A K T 3< S+ 0 0 162 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.439 77.8 125.4 -85.1 -1.6 48.8 21.1 38.1 66 95 A L < - 0 0 24 -3,-1.6 6,-0.1 -4,-0.2 -3,-0.0 -0.403 55.6-140.1 -72.5 133.4 48.4 21.9 34.3 67 96 A E + 0 0 80 -2,-0.2 2,-0.2 4,-0.1 -1,-0.1 0.931 68.3 18.3 -56.1 -63.5 47.6 18.9 32.2 68 97 A T S >> S- 0 0 55 1,-0.0 4,-1.2 0, 0.0 3,-0.7 -0.638 74.6-104.4-123.2 166.6 49.6 19.3 28.9 69 98 A E H 3> S+ 0 0 142 1,-0.2 4,-2.1 -2,-0.2 5,-0.2 0.799 114.1 54.5 -58.0 -37.4 52.6 21.1 27.4 70 99 A E H 3> S+ 0 0 172 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.791 105.2 53.2 -76.3 -26.6 50.6 23.6 25.3 71 100 A E H <> S+ 0 0 83 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.824 110.8 49.5 -69.4 -32.5 48.7 24.8 28.4 72 101 A R H X S+ 0 0 42 -4,-1.2 4,-3.9 2,-0.2 5,-0.2 0.900 101.9 56.7 -75.6 -46.8 52.1 25.4 30.1 73 102 A V H X S+ 0 0 68 -4,-2.1 4,-1.4 2,-0.2 5,-0.3 0.907 111.9 49.0 -51.3 -41.4 53.8 27.4 27.4 74 103 A A H X S+ 0 0 54 -4,-1.0 4,-2.3 -5,-0.2 -2,-0.2 0.994 116.7 37.4 -56.5 -67.7 50.8 29.6 27.8 75 104 A R H X S+ 0 0 79 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.779 109.2 65.5 -60.1 -31.2 50.9 30.0 31.6 76 105 A S H X S+ 0 0 0 -4,-3.9 4,-2.1 2,-0.2 -1,-0.2 0.971 112.4 30.2 -57.7 -59.5 54.7 30.1 31.7 77 106 A R H X S+ 0 0 182 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.892 116.1 61.3 -67.2 -40.5 55.1 33.4 29.8 78 107 A E H X S+ 0 0 134 -4,-2.3 4,-0.9 -5,-0.3 -1,-0.2 0.868 109.9 43.3 -49.5 -40.0 51.7 34.5 31.2 79 108 A I H <>S+ 0 0 9 -4,-2.4 5,-0.8 1,-0.2 4,-0.4 0.934 110.6 51.9 -72.4 -49.6 53.4 34.1 34.7 80 109 A F H <5S+ 0 0 46 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.707 106.1 57.0 -66.0 -21.1 56.8 35.7 33.9 81 110 A D H <5S+ 0 0 112 -4,-1.8 4,-0.4 -5,-0.1 -1,-0.2 0.940 112.5 31.5 -73.8 -45.9 55.1 38.9 32.5 82 111 A S T ><5S+ 0 0 82 -4,-0.9 3,-0.7 -3,-0.3 4,-0.3 0.995 123.5 20.7 -85.5 -83.0 53.0 40.0 35.5 83 112 A Y T >>5S+ 0 0 58 -4,-0.4 3,-2.4 1,-0.2 4,-1.8 0.867 113.6 68.0 -58.2 -42.9 54.1 39.4 39.1 84 113 A I H 3> - 0 0 34 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.451 16.4-131.5 -78.8 152.8 68.9 35.4 42.8 96 126 A K H > S+ 0 0 187 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.976 111.0 58.2 -60.6 -54.1 70.7 35.6 39.5 97 127 A S H > S+ 0 0 93 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.828 110.8 42.1 -40.2 -45.7 71.6 31.9 40.0 98 128 A A H > S+ 0 0 7 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.918 113.8 48.5 -74.6 -46.9 67.8 31.1 40.2 99 129 A T H X S+ 0 0 23 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.773 103.5 66.3 -65.3 -26.4 66.6 33.3 37.3 100 130 A E H X S+ 0 0 149 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.958 106.8 37.2 -58.5 -56.0 69.4 31.9 35.1 101 131 A H H X S+ 0 0 87 -4,-1.1 4,-2.0 2,-0.2 5,-0.2 0.933 118.5 50.9 -62.4 -48.5 67.9 28.3 35.0 102 132 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.924 114.4 41.8 -57.6 -50.5 64.3 29.6 34.9 103 133 A Q H X S+ 0 0 105 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.761 109.0 62.8 -70.3 -25.2 65.0 32.0 31.9 104 134 A G H X S+ 0 0 32 -4,-1.5 4,-0.9 -5,-0.3 -2,-0.2 0.926 108.7 39.1 -64.7 -48.3 67.1 29.3 30.3 105 135 A H H <>S+ 0 0 37 -4,-2.0 5,-1.5 2,-0.2 4,-0.4 0.923 116.3 53.3 -63.5 -46.6 64.2 26.8 30.0 106 136 A L H ><5S+ 0 0 33 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.902 102.6 55.4 -58.5 -47.7 61.8 29.7 29.1 107 137 A G H 3<5S+ 0 0 65 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.836 109.1 48.8 -54.9 -35.5 63.9 31.1 26.2 108 138 A K T 3<5S- 0 0 150 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.499 111.6-122.0 -83.0 -6.7 63.9 27.6 24.6 109 139 A K T < 5 + 0 0 169 -3,-1.7 2,-0.5 -4,-0.4 -3,-0.2 0.606 66.8 137.8 71.3 14.9 60.1 27.3 25.0 110 140 A Q < - 0 0 87 -5,-1.5 -1,-0.3 -37,-0.0 -2,-0.2 -0.812 30.9-174.8 -91.1 130.8 60.5 24.1 27.0 111 141 A V + 0 0 14 -2,-0.5 -39,-0.1 -3,-0.1 -38,-0.1 -0.744 10.5 165.1-137.7 84.6 58.1 24.1 30.0 112 142 A P - 0 0 39 0, 0.0 3,-0.4 0, 0.0 4,-0.2 -0.352 52.4-106.6 -82.1 173.7 58.1 21.3 32.6 113 143 A P S > S+ 0 0 49 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.856 120.4 63.9 -66.8 -32.4 56.4 21.5 36.1 114 144 A D G > S+ 0 0 107 1,-0.2 3,-3.7 2,-0.1 -50,-0.1 0.783 73.0 102.5 -55.0 -33.7 60.0 21.9 37.5 115 145 A L G 3 S+ 0 0 0 -3,-0.4 -1,-0.2 1,-0.3 -10,-0.1 0.642 90.4 29.2 -21.2 -50.9 60.3 25.2 35.6 116 146 A F G X> S+ 0 0 0 -3,-0.8 3,-1.6 -4,-0.2 4,-1.4 0.429 84.9 109.2-100.7 -1.9 59.7 27.4 38.7 117 147 A Q H <> S+ 0 0 67 -3,-3.7 4,-1.9 1,-0.3 -1,-0.2 0.796 75.9 59.0 -49.8 -37.9 61.0 25.1 41.5 118 148 A P H 3> S+ 0 0 27 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.902 105.6 49.7 -54.8 -41.3 64.0 27.4 42.0 119 149 A Y H <> S+ 0 0 0 -3,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.821 104.9 58.4 -68.6 -32.7 61.6 30.2 42.8 120 150 A I H X S+ 0 0 14 -4,-1.4 4,-2.2 2,-0.2 3,-0.3 0.963 106.1 48.6 -55.8 -53.2 59.7 28.0 45.2 121 151 A E H X S+ 0 0 113 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.888 111.3 48.0 -59.2 -43.7 62.9 27.5 47.3 122 152 A E H X S+ 0 0 52 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.797 108.7 55.6 -70.4 -27.7 63.8 31.2 47.5 123 153 A I H X S+ 0 0 1 -4,-1.6 4,-1.5 -3,-0.3 -2,-0.2 0.932 108.8 47.2 -67.2 -46.2 60.2 32.0 48.5 124 154 A C H >X S+ 0 0 20 -4,-2.2 4,-2.9 2,-0.2 3,-0.7 0.947 105.9 57.8 -59.0 -49.6 60.4 29.6 51.4 125 155 A Q H 3< S+ 0 0 105 -4,-2.5 4,-0.3 1,-0.3 -1,-0.2 0.877 113.8 40.5 -45.1 -41.6 63.8 31.1 52.4 126 156 A N H 3< S+ 0 0 66 -4,-1.4 5,-0.4 1,-0.2 -1,-0.3 0.665 116.7 49.1 -86.5 -16.4 61.9 34.4 52.7 127 157 A L H << S+ 0 0 0 -4,-1.5 5,-0.4 -3,-0.7 -2,-0.2 0.786 106.5 54.7 -84.9 -30.4 58.8 32.9 54.3 128 158 A R S < S+ 0 0 100 -4,-2.9 -102,-0.2 3,-0.2 -2,-0.1 0.469 99.7 62.9 -90.4 -2.4 60.5 30.9 57.0 129 159 A G S > S- 0 0 37 -4,-0.3 4,-1.7 -5,-0.2 3,-0.3 0.660 122.6 -19.8 -87.4-118.5 62.6 33.7 58.7 130 160 A D H > S+ 0 0 128 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.910 133.2 63.5 -55.1 -48.3 61.0 36.7 60.3 131 161 A V H > S+ 0 0 6 -5,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.862 105.6 45.3 -49.9 -42.6 57.8 36.2 58.5 132 162 A F H > S+ 0 0 5 -5,-0.4 4,-2.5 -3,-0.3 3,-0.5 0.946 111.9 50.5 -65.7 -48.2 57.3 32.9 60.3 133 163 A Q H X S+ 0 0 110 -4,-1.7 4,-1.5 1,-0.3 -2,-0.2 0.774 109.3 52.5 -64.6 -25.3 58.2 34.3 63.7 134 164 A K H X S+ 0 0 91 -4,-2.5 4,-1.2 2,-0.2 -1,-0.3 0.796 109.3 50.4 -74.4 -30.2 55.7 37.1 63.1 135 165 A F H < S+ 0 0 0 -4,-1.2 6,-0.8 -3,-0.5 -2,-0.2 0.884 106.0 54.2 -73.1 -38.8 53.2 34.4 62.3 136 166 A I H < S+ 0 0 10 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.934 111.1 46.0 -62.7 -44.2 54.0 32.5 65.5 137 167 A E H < S+ 0 0 150 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.831 102.1 92.9 -61.2 -33.4 53.3 35.7 67.5 138 168 A S S >X S- 0 0 13 -4,-1.2 4,-1.2 1,-0.1 3,-1.1 -0.144 89.8-109.1 -72.7 160.8 50.1 36.4 65.6 139 169 A D H 3> S+ 0 0 96 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.559 112.8 66.5 -57.5 -16.1 46.5 35.4 66.3 140 170 A K H 3> S+ 0 0 20 2,-0.2 4,-2.2 -5,-0.2 -1,-0.2 0.838 98.5 49.4 -80.5 -35.9 46.6 32.8 63.5 141 171 A F H <> S+ 0 0 0 -3,-1.1 4,-2.4 -6,-0.8 -2,-0.2 0.844 108.4 55.6 -66.3 -33.2 49.1 30.6 65.2 142 172 A T H X S+ 0 0 22 -4,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.925 109.0 47.5 -59.7 -41.0 46.8 30.9 68.2 143 173 A R H X S+ 0 0 6 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.853 108.2 53.3 -70.4 -36.1 44.1 29.6 65.9 144 174 A F H X S+ 0 0 3 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.926 108.1 52.2 -58.6 -44.4 46.3 26.8 64.7 145 175 A C H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.820 106.3 53.1 -66.3 -32.1 46.8 25.9 68.3 146 176 A Q H X S+ 0 0 1 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.942 113.4 43.4 -63.0 -45.9 43.1 25.8 68.8 147 177 A W H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.867 112.0 51.5 -70.0 -36.7 42.7 23.4 65.9 148 178 A K H X S+ 0 0 13 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.879 103.6 59.8 -70.8 -38.2 45.7 21.1 66.8 149 179 A N H < S+ 0 0 10 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.957 106.9 47.0 -49.4 -52.1 44.3 20.8 70.3 150 180 A V H >< S+ 0 0 29 -4,-1.5 3,-2.6 1,-0.2 -2,-0.2 0.946 108.5 54.5 -57.0 -52.6 41.1 19.3 68.8 151 181 A E H >< S+ 0 0 14 -4,-2.1 3,-0.9 1,-0.3 -1,-0.2 0.858 109.4 47.7 -48.7 -44.2 43.1 16.9 66.6 152 182 A L T 3< S+ 0 0 54 -4,-2.3 -1,-0.3 1,-0.2 435,-0.2 0.206 107.4 57.7 -89.8 15.6 45.0 15.5 69.5 153 183 A N T < S+ 0 0 42 -3,-2.6 2,-0.9 434,-0.1 -1,-0.2 0.081 70.7 142.3-123.1 22.1 41.9 15.0 71.6 154 184 A I < + 0 0 41 -3,-0.9 2,-0.6 -4,-0.1 -3,-0.1 -0.526 16.8 168.1 -81.2 104.0 39.9 12.8 69.2 155 185 A H - 0 0 108 -2,-0.9 2,-0.3 76,-0.0 76,-0.1 -0.962 19.6-158.8-112.0 113.2 38.0 10.1 71.1 156 186 A L + 0 0 21 -2,-0.6 2,-0.3 74,-0.2 76,-0.2 -0.668 19.0 160.6 -97.6 147.1 35.6 8.3 68.8 157 187 A T > - 0 0 66 -2,-0.3 3,-1.3 74,-0.1 4,-0.4 -0.901 55.4 -91.6-148.4 176.1 32.4 6.3 69.6 158 188 A M G > S+ 0 0 61 -2,-0.3 3,-1.2 1,-0.3 5,-0.2 0.798 118.7 69.3 -66.2 -28.5 29.3 5.2 67.8 159 189 A N G 3 S+ 0 0 156 1,-0.2 -1,-0.3 3,-0.1 22,-0.1 0.789 92.6 60.1 -54.5 -30.6 27.5 8.4 68.9 160 190 A D G < S+ 0 0 54 -3,-1.3 21,-2.9 21,-0.1 22,-0.6 0.721 102.7 60.0 -73.4 -22.5 29.8 10.3 66.6 161 191 A F E < -A 180 0A 12 -3,-1.2 2,-0.8 -4,-0.4 19,-0.2 -0.872 67.5-147.9-114.2 142.8 28.5 8.4 63.5 162 192 A S E -A 179 0A 65 17,-2.5 17,-1.5 -2,-0.4 2,-0.2 -0.867 29.0-150.6-104.5 93.4 25.0 8.1 62.0 163 193 A V E +A 178 0A 63 -2,-0.8 15,-0.2 15,-0.2 3,-0.1 -0.462 23.1 168.7 -75.9 135.2 25.2 4.5 60.5 164 194 A H E + 0 0 107 13,-3.1 2,-0.3 1,-0.3 14,-0.1 0.656 43.7 0.6-109.4 -97.1 23.0 3.8 57.5 165 195 A R E - 0 0 204 12,-0.2 12,-1.2 1,-0.0 -1,-0.3 -0.681 59.5-113.1-112.1 153.9 23.2 0.7 55.3 166 196 A I E +A 176 0A 107 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.572 32.5 167.5 -77.3 141.1 25.1 -2.6 55.1 167 197 A I E + 0 0 89 8,-2.3 9,-0.1 1,-0.4 2,-0.1 -0.067 62.9 19.4-145.9 34.8 27.5 -2.9 52.1 168 198 A G E - 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0 0 44 -3,-0.6 5,-0.1 -5,-0.2 -3,-0.1 -0.554 51.6-149.3 -69.4 116.9 56.7 -15.2 34.8 401 431 A R S S+ 0 0 98 -2,-0.5 2,-0.3 4,-0.1 -71,-0.2 0.910 76.5 80.8 -55.1 -49.8 57.5 -17.8 37.5 402 432 A D S > S- 0 0 83 1,-0.2 3,-1.2 3,-0.1 -2,-0.1 -0.442 71.7-150.4 -65.0 121.5 61.2 -16.6 38.0 403 433 A V G > S+ 0 0 52 -2,-0.3 3,-1.1 1,-0.3 -1,-0.2 0.861 97.1 52.6 -63.8 -36.6 61.2 -13.5 40.2 404 434 A N G 3 S+ 0 0 132 1,-0.2 -1,-0.3 6,-0.0 -2,-0.1 0.610 110.6 48.8 -72.3 -13.2 64.4 -12.2 38.5 405 435 A R G < S+ 0 0 167 -3,-1.2 2,-0.3 -5,-0.1 -1,-0.2 0.146 94.3 101.0-110.7 16.2 62.7 -12.6 35.1 406 436 A R S X S- 0 0 1 -3,-1.1 3,-1.2 -5,-0.1 4,-0.4 -0.796 77.1-107.7-111.1 143.8 59.4 -10.8 36.0 407 437 A L T 3 S+ 0 0 41 -10,-1.1 -2,-0.1 -2,-0.3 7,-0.1 -0.449 103.8 29.0 -66.3 138.7 58.3 -7.3 35.3 408 438 A G T 3 S+ 0 0 1 5,-0.2 -1,-0.2 -2,-0.1 6,-0.1 0.445 110.2 71.3 91.5 3.2 58.2 -5.0 38.3 409 439 A C < + 0 0 37 -3,-1.2 -2,-0.1 4,-0.1 -68,-0.1 0.493 67.9 86.3-123.1 -11.7 61.1 -6.8 40.1 410 440 A L S S- 0 0 107 -4,-0.4 -3,-0.1 3,-0.2 -6,-0.0 0.631 114.3 -76.4 -76.9 -15.3 64.2 -5.9 38.0 411 441 A G S S+ 0 0 70 2,-0.0 -1,-0.1 0, 0.0 0, 0.0 -0.017 122.2 64.5 152.0 -38.6 64.9 -2.6 39.9 412 442 A R S > S- 0 0 158 1,-0.2 3,-1.7 2,-0.0 2,-0.1 0.435 76.1-168.0 -94.9 -2.7 62.5 0.1 38.8 413 443 A G T >> S+ 0 0 19 1,-0.3 3,-1.3 2,-0.2 4,-0.6 -0.285 70.2 16.9 61.4-120.5 59.4 -1.6 40.2 414 444 A A H >> S+ 0 0 8 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.772 119.7 67.2 -55.7 -30.7 56.1 -0.0 39.1 415 445 A Q H <> S+ 0 0 84 -3,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.749 91.1 59.4 -67.4 -28.8 57.9 1.9 36.3 416 446 A E H <4 S+ 0 0 8 -3,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.844 110.0 43.3 -67.4 -34.8 58.8 -1.3 34.2 417 447 A V H X< S+ 0 0 1 -4,-0.6 3,-1.4 -3,-0.5 6,-0.3 0.873 110.3 55.4 -78.2 -42.3 55.1 -2.2 33.9 418 448 A K H 3< S+ 0 0 25 -4,-1.8 5,-0.2 1,-0.3 -2,-0.2 0.913 109.2 47.2 -54.9 -46.7 54.0 1.4 33.1 419 449 A E T 3< S+ 0 0 104 -4,-1.8 -1,-0.3 3,-0.1 -2,-0.2 0.286 85.9 123.4 -85.9 10.4 56.4 1.6 30.2 420 450 A S S X S- 0 0 8 -3,-1.4 3,-1.1 1,-0.1 -3,-0.1 -0.317 79.6-108.9 -59.6 153.4 55.3 -1.8 28.9 421 451 A P G > S+ 0 0 64 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.828 113.5 69.1 -52.9 -33.8 54.1 -1.7 25.2 422 452 A F G 3 S+ 0 0 2 -32,-0.5 3,-0.3 1,-0.3 -31,-0.1 0.784 102.0 42.3 -60.0 -31.7 50.5 -2.3 26.5 423 453 A F G X S+ 0 0 2 -3,-1.1 3,-1.3 -6,-0.3 -1,-0.3 0.115 76.6 121.5-104.4 23.2 50.1 1.1 28.1 424 454 A R T < S+ 0 0 229 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.759 71.6 53.0 -57.8 -30.9 51.8 3.0 25.2 425 455 A S T 3 S+ 0 0 89 -3,-0.3 2,-0.3 -4,-0.2 -1,-0.3 0.704 91.2 94.5 -78.1 -21.9 48.7 5.2 24.7 426 456 A L < - 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