==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ADENYLATE KINASE 28-JUL-95 2AKY . COMPND 2 MOLECULE: ADENYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR U.ABELE,G.E.SCHULZ . 218 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10855.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 13 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 39.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.2 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 0 0 0 0 0 2 1 2 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 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 PARALLEL BRIDGES PER LADDER . 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 3 A E 0 0 135 0, 0.0 2,-0.3 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 43.8 16.3 13.9 -2.6 2 4 A S + 0 0 76 26,-0.0 2,-0.3 2,-0.0 81,-0.2 -0.889 360.0 154.2-134.0 115.5 15.8 17.5 -3.8 3 5 A I - 0 0 3 -2,-0.3 81,-1.5 23,-0.3 2,-0.4 -0.984 26.2-165.6-133.3 143.3 13.3 19.7 -2.0 4 6 A R E +a 84 0A 63 -2,-0.3 107,-3.0 79,-0.3 108,-1.3 -0.948 38.8 145.4-121.1 111.7 13.1 23.5 -1.6 5 7 A M E -ab 85 112A 0 79,-2.4 81,-3.1 -2,-0.4 2,-0.4 -0.957 43.4-133.2-147.8 159.4 10.6 24.1 1.1 6 8 A V E -ab 86 113A 1 106,-1.9 108,-2.4 -2,-0.3 2,-0.5 -0.928 13.6-150.7-108.6 139.6 9.5 26.3 4.1 7 9 A L E -ab 87 114A 2 79,-3.0 81,-1.1 -2,-0.4 2,-0.4 -0.969 19.4-175.1-102.8 124.4 8.3 25.0 7.5 8 10 A I E + b 0 115A 7 106,-2.8 108,-2.9 -2,-0.5 83,-0.1 -0.966 18.5 131.3-117.6 135.7 5.8 27.4 9.1 9 11 A G - 0 0 4 -2,-0.4 3,-0.1 106,-0.2 108,-0.1 -0.961 53.0 -91.8-172.2 155.8 4.4 27.0 12.6 10 12 A P S > S- 0 0 7 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.107 70.4 -65.9 -61.2 161.4 3.8 28.7 16.0 11 13 A P T 3 S+ 0 0 13 0, 0.0 116,-0.2 0, 0.0 164,-0.0 -0.428 126.0 12.8 -49.4 126.2 6.4 28.5 18.7 12 14 A G T 3 S+ 0 0 19 -2,-0.2 113,-0.0 -3,-0.1 114,-0.0 0.330 86.7 125.1 86.5 -1.6 6.8 24.8 19.8 13 15 A A S < S- 0 0 4 -3,-1.9 -5,-0.0 1,-0.1 106,-0.0 0.745 85.5 -94.4 -61.2 -35.3 4.8 23.3 16.9 14 16 A G S > S+ 0 0 15 -4,-0.3 4,-2.1 -5,-0.1 3,-0.4 0.547 78.7 133.2 129.4 17.5 7.6 21.0 15.9 15 17 A K H > S+ 0 0 26 -5,-0.3 4,-2.0 1,-0.2 -7,-0.0 0.904 82.1 45.4 -60.4 -46.9 9.7 22.6 13.1 16 18 A G H 4 S+ 0 0 34 1,-0.2 -1,-0.2 2,-0.2 123,-0.2 0.736 112.1 53.1 -70.3 -25.5 13.0 21.7 14.7 17 19 A T H 4 S+ 0 0 52 -3,-0.4 4,-0.4 2,-0.1 -2,-0.2 0.873 115.8 37.6 -74.5 -37.4 11.8 18.1 15.4 18 20 A Q H >X S+ 0 0 5 -4,-2.1 4,-1.9 1,-0.2 3,-0.6 0.732 98.5 76.9 -87.9 -29.8 10.8 17.4 11.8 19 21 A A H 3X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.881 91.0 55.2 -51.4 -44.3 13.6 19.2 10.0 20 22 A P H 3> S+ 0 0 63 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.856 107.5 51.1 -55.8 -38.0 16.1 16.4 10.7 21 23 A N H <> S+ 0 0 56 -3,-0.6 4,-2.4 -4,-0.4 -2,-0.2 0.902 113.2 43.9 -63.3 -48.0 13.7 13.9 9.1 22 24 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 6,-0.5 0.872 113.7 52.1 -65.2 -35.7 13.4 16.1 6.0 23 25 A Q H X S+ 0 0 77 -4,-2.7 4,-1.5 -5,-0.2 5,-0.3 0.923 111.8 45.1 -69.5 -47.3 17.1 16.7 6.0 24 26 A E H < S+ 0 0 124 -4,-2.6 3,-0.4 -5,-0.2 -2,-0.2 0.982 117.1 44.7 -56.2 -54.9 17.9 13.0 6.1 25 27 A R H < S+ 0 0 79 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.830 128.2 24.3 -65.7 -38.9 15.4 12.1 3.5 26 28 A F H < S- 0 0 1 -4,-2.4 -23,-0.3 -5,-0.2 -1,-0.2 0.413 92.1-131.7-110.2 -1.0 16.1 14.8 0.9 27 29 A H < + 0 0 100 -4,-1.5 2,-0.2 -3,-0.4 -4,-0.2 0.834 55.5 152.2 45.9 38.4 19.7 15.7 1.8 28 30 A A - 0 0 1 -6,-0.5 2,-0.3 -5,-0.3 56,-0.3 -0.510 52.2-100.1 -90.1 156.8 18.7 19.3 1.8 29 31 A A E -c 84 0A 7 54,-1.8 56,-3.4 50,-0.3 2,-0.8 -0.669 29.6-134.8 -75.2 135.7 20.4 22.0 3.9 30 32 A H E -c 85 0A 53 -2,-0.3 2,-0.9 54,-0.2 56,-0.2 -0.839 20.6-170.6 -95.4 109.1 18.5 23.0 7.0 31 33 A L E +c 86 0A 4 54,-2.9 56,-2.7 -2,-0.8 2,-0.6 -0.821 10.1 172.9-105.4 97.2 18.4 26.7 7.3 32 34 A A E > -c 87 0A 8 -2,-0.9 4,-2.0 54,-0.2 56,-0.2 -0.912 18.2-165.3-110.5 110.9 17.1 27.6 10.7 33 35 A T H > S+ 0 0 4 54,-1.2 4,-2.6 -2,-0.6 5,-0.2 0.839 88.8 57.0 -70.3 -28.2 17.3 31.4 11.5 34 36 A G H > S+ 0 0 15 53,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.947 109.7 45.2 -64.1 -45.0 16.8 30.9 15.2 35 37 A D H > S+ 0 0 50 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.862 111.0 54.3 -64.2 -41.4 19.8 28.6 15.3 36 38 A M H X S+ 0 0 35 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.942 110.2 46.5 -58.4 -46.1 21.8 31.1 13.2 37 39 A L H X S+ 0 0 11 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.882 109.6 53.3 -62.5 -42.4 21.0 33.8 15.7 38 40 A R H X S+ 0 0 58 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.815 105.6 55.1 -66.7 -27.8 21.8 31.7 18.7 39 41 A S H X S+ 0 0 55 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.893 106.0 51.9 -66.3 -40.8 25.2 31.0 17.0 40 42 A Q H X>S+ 0 0 43 -4,-1.7 5,-1.8 2,-0.2 4,-0.7 0.948 109.5 49.0 -59.3 -47.6 25.8 34.7 16.8 41 43 A I H ><5S+ 0 0 40 -4,-2.2 3,-1.0 7,-0.3 -2,-0.2 0.930 110.8 51.3 -58.1 -39.9 25.0 35.0 20.5 42 44 A A H 3<5S+ 0 0 89 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.735 108.9 49.2 -73.1 -28.5 27.4 32.1 21.2 43 45 A K H 3<5S- 0 0 152 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.494 110.4-127.0 -84.2 -9.8 30.3 33.7 19.3 44 46 A G T <<5 + 0 0 43 -3,-1.0 -3,-0.2 -4,-0.7 -2,-0.1 0.737 49.6 163.8 72.8 23.1 29.5 36.9 21.2 45 47 A T >< - 0 0 45 -5,-1.8 4,-2.8 1,-0.1 5,-0.2 -0.401 51.1-113.7 -72.7 155.3 29.2 39.0 18.1 46 48 A Q H > S+ 0 0 162 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.841 119.8 50.5 -58.9 -39.3 27.5 42.4 18.3 47 49 A L H > S+ 0 0 47 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.945 111.2 49.8 -61.4 -43.5 24.6 41.2 16.2 48 50 A G H > S+ 0 0 0 -8,-0.3 4,-2.0 1,-0.2 -7,-0.3 0.915 110.8 49.1 -64.2 -39.0 24.3 38.2 18.5 49 51 A L H X S+ 0 0 86 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.869 114.4 43.1 -72.8 -35.3 24.3 40.3 21.6 50 52 A E H X S+ 0 0 91 -4,-2.1 4,-1.1 -5,-0.2 3,-0.2 0.869 112.5 53.8 -78.2 -29.1 21.7 42.8 20.3 51 53 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 3,-0.3 0.894 99.9 63.1 -67.4 -37.5 19.5 39.9 18.9 52 54 A K H X S+ 0 0 73 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.861 100.1 51.7 -56.7 -41.4 19.5 38.1 22.3 53 55 A K H < S+ 0 0 132 -4,-0.8 4,-0.5 -3,-0.2 -1,-0.2 0.888 113.2 44.3 -65.0 -39.1 17.7 41.0 24.0 54 56 A I H ><>S+ 0 0 54 -4,-1.1 5,-2.5 -3,-0.3 3,-0.8 0.910 112.5 51.9 -71.4 -39.8 14.9 41.0 21.3 55 57 A M H ><5S+ 0 0 21 -4,-2.8 3,-2.1 1,-0.3 -2,-0.2 0.942 106.7 52.7 -66.3 -41.7 14.6 37.2 21.3 56 58 A D T 3<5S+ 0 0 46 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.605 107.2 53.6 -71.1 -14.2 14.2 37.0 25.1 57 59 A Q T < 5S- 0 0 113 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.268 117.8-113.1 -97.5 4.2 11.4 39.6 24.9 58 60 A G T < 5S+ 0 0 6 -3,-2.1 119,-0.2 1,-0.2 -3,-0.2 0.710 73.0 135.9 70.0 20.5 9.6 37.5 22.3 59 61 A G < - 0 0 37 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.2 -0.400 55.2-107.2 -89.9 179.1 10.1 40.1 19.6 60 62 A L - 0 0 52 -2,-0.1 3,-0.1 -3,-0.1 2,-0.1 -0.869 25.6-122.4-111.6 135.2 11.2 39.7 16.0 61 63 A V - 0 0 14 -2,-0.4 5,-0.1 1,-0.2 -10,-0.0 -0.352 50.4 -75.4 -72.2 150.9 14.7 40.6 14.6 62 64 A S > - 0 0 52 1,-0.1 4,-2.1 4,-0.1 5,-0.2 -0.169 31.0-132.4 -52.8 139.1 14.8 43.1 11.8 63 65 A D H > S+ 0 0 38 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.893 106.8 57.5 -55.4 -40.5 13.8 42.0 8.3 64 66 A D H > S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.948 108.7 44.8 -61.3 -46.6 16.9 43.6 6.8 65 67 A I H > S+ 0 0 45 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 116.4 45.9 -61.2 -44.3 19.2 41.6 9.0 66 68 A M H X S+ 0 0 8 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.920 112.0 49.4 -71.5 -42.4 17.3 38.3 8.4 67 69 A V H X S+ 0 0 7 -4,-3.2 4,-3.1 1,-0.2 -2,-0.2 0.932 111.9 49.8 -61.0 -41.3 17.0 38.7 4.6 68 70 A N H X S+ 0 0 85 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.890 109.3 52.0 -65.0 -43.7 20.8 39.5 4.4 69 71 A M H X S+ 0 0 31 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.886 114.7 41.2 -58.1 -45.3 21.6 36.4 6.5 70 72 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.943 109.0 59.3 -76.1 -38.8 19.6 34.1 4.3 71 73 A K H X S+ 0 0 85 -4,-3.1 4,-2.1 1,-0.3 -2,-0.2 0.896 108.2 46.5 -53.2 -44.7 20.8 35.8 1.0 72 74 A D H X S+ 0 0 91 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.879 111.3 50.4 -68.6 -39.4 24.3 34.9 1.9 73 75 A E H X S+ 0 0 63 -4,-1.4 4,-1.7 1,-0.2 7,-0.3 0.917 113.1 45.6 -68.7 -39.8 23.6 31.3 2.9 74 76 A L H < S+ 0 0 11 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.900 118.1 45.4 -66.3 -40.8 21.7 30.6 -0.3 75 77 A T H < S+ 0 0 103 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.970 129.6 15.9 -68.8 -55.5 24.4 32.3 -2.3 76 78 A N H < S+ 0 0 105 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.316 94.6 100.0-115.5 8.7 27.6 30.9 -0.9 77 79 A N >< - 0 0 44 -4,-1.7 3,-0.9 -5,-0.3 -48,-0.1 -0.874 56.9-157.3 -90.6 116.9 26.6 27.8 1.1 78 80 A P G > S+ 0 0 107 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.853 87.5 66.7 -59.5 -36.1 27.4 24.8 -1.1 79 81 A A G >> S+ 0 0 40 1,-0.3 3,-1.1 2,-0.2 4,-0.6 0.780 87.5 68.2 -61.0 -25.4 24.8 22.6 0.7 80 82 A C G <4 S+ 0 0 11 -3,-0.9 -1,-0.3 -7,-0.3 -52,-0.0 0.410 81.3 77.3 -80.6 8.0 22.0 24.7 -0.6 81 83 A K G <4 S+ 0 0 181 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.794 91.8 51.1 -83.9 -27.9 22.6 23.5 -4.1 82 84 A N T <4 S- 0 0 89 -3,-1.1 2,-0.3 1,-0.4 -2,-0.2 0.854 129.3 -86.6 -70.5 -32.5 20.9 20.1 -3.3 83 85 A G < - 0 0 4 -4,-0.6 -54,-1.8 -81,-0.2 -1,-0.4 -0.881 46.3-117.6 143.1-178.8 17.9 22.0 -2.0 84 86 A F E -ac 4 29A 1 -81,-1.5 -79,-2.4 -2,-0.3 2,-0.6 -0.997 4.8-140.1-156.5 153.5 17.0 23.5 1.3 85 87 A I E -ac 5 30A 0 -56,-3.4 -54,-2.9 -2,-0.3 2,-0.6 -0.974 22.9-152.6-113.2 110.1 14.6 23.5 4.3 86 88 A L E -ac 6 31A 0 -81,-3.1 -79,-3.0 -2,-0.6 2,-0.5 -0.767 14.7-175.4 -83.5 125.8 13.8 27.0 5.5 87 89 A D E S-ac 7 32A 17 -56,-2.7 -54,-1.2 -2,-0.6 -53,-0.5 -0.933 71.5 -0.6-129.1 104.0 12.9 26.8 9.2 88 90 A G S S+ 0 0 5 -81,-1.1 -1,-0.1 -2,-0.5 -56,-0.1 0.422 103.9 125.6 96.6 -2.9 11.8 30.1 10.8 89 91 A F + 0 0 1 -58,-0.2 -82,-0.3 -82,-0.2 -1,-0.2 -0.993 56.2 36.4-136.7 133.5 12.2 32.1 7.6 90 92 A P + 0 0 7 0, 0.0 -2,-0.2 0, 0.0 -1,-0.1 0.592 67.4 158.9 -73.2 157.2 10.2 33.8 6.2 91 93 A R + 0 0 70 1,-0.2 2,-0.3 -2,-0.1 94,-0.1 0.377 63.0 36.1-123.6 -8.9 8.6 35.1 9.4 92 94 A T S > S- 0 0 6 1,-0.1 4,-1.9 90,-0.1 -1,-0.2 -0.950 85.9-108.0-138.4 163.5 7.0 38.3 8.0 93 95 A I H > S+ 0 0 53 88,-0.4 4,-2.7 -2,-0.3 5,-0.2 0.929 119.2 53.2 -59.0 -42.7 5.3 39.3 4.8 94 96 A P H > S+ 0 0 45 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.905 109.5 48.5 -61.2 -37.8 8.3 41.4 3.7 95 97 A Q H > S+ 0 0 6 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.863 111.8 50.7 -66.8 -34.0 10.6 38.5 4.3 96 98 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.902 111.8 45.9 -70.4 -45.2 8.3 36.3 2.2 97 99 A E H X S+ 0 0 106 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.873 114.0 48.2 -62.0 -44.8 8.1 38.8 -0.7 98 100 A K H X S+ 0 0 76 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.843 110.9 50.8 -67.8 -34.1 11.9 39.3 -0.7 99 101 A L H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.904 107.2 55.7 -65.7 -40.7 12.5 35.6 -0.6 100 102 A D H X S+ 0 0 89 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.920 110.9 43.8 -57.6 -42.0 10.2 35.2 -3.5 101 103 A Q H X S+ 0 0 92 -4,-1.7 4,-2.5 1,-0.2 5,-0.2 0.926 110.8 53.7 -75.4 -42.8 12.2 37.7 -5.5 102 104 A M H X S+ 0 0 27 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.877 111.7 45.0 -56.0 -45.4 15.6 36.2 -4.5 103 105 A L H X>S+ 0 0 3 -4,-2.4 5,-2.5 2,-0.2 4,-0.5 0.765 109.8 56.0 -77.9 -23.7 14.5 32.7 -5.7 104 106 A K H ><5S+ 0 0 132 -4,-1.4 3,-1.1 -5,-0.2 -2,-0.2 0.962 107.8 47.8 -67.1 -46.9 13.0 34.1 -8.9 105 107 A E H 3<5S+ 0 0 143 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.809 115.8 45.1 -65.3 -31.2 16.3 35.7 -9.9 106 108 A Q H 3<5S- 0 0 89 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.570 108.2-128.1 -85.4 -12.1 18.1 32.5 -9.1 107 109 A G T <<5S+ 0 0 56 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.851 76.4 111.4 64.7 35.7 15.5 30.4 -10.9 108 110 A T < - 0 0 31 -5,-2.5 -1,-0.1 -6,-0.1 -4,-0.1 -0.625 48.4-174.1-136.5 75.1 14.9 28.0 -8.0 109 111 A P - 0 0 79 0, 0.0 2,-0.1 0, 0.0 -105,-0.1 -0.269 34.2 -89.6 -73.0 157.3 11.4 28.7 -6.6 110 112 A L - 0 0 25 1,-0.1 -105,-0.2 -107,-0.0 3,-0.1 -0.411 30.0-163.9 -62.7 141.9 9.9 27.1 -3.5 111 113 A E + 0 0 68 -107,-3.0 2,-0.3 1,-0.3 -106,-0.2 0.859 68.0 11.8 -92.7 -41.7 8.1 23.8 -4.0 112 114 A K E -b 5 0A 53 -108,-1.3 -106,-1.9 2,-0.0 2,-0.4 -0.979 47.2-161.4-141.6 145.2 6.2 23.5 -0.7 113 115 A A E -bd 6 195A 0 81,-2.9 83,-2.0 -2,-0.3 2,-0.6 -0.961 21.5-161.6-121.8 110.5 5.2 25.5 2.3 114 116 A I E -bd 7 196A 0 -108,-2.4 -106,-2.8 -2,-0.4 2,-0.6 -0.840 2.2-157.0 -96.6 114.9 4.1 23.2 5.1 115 117 A E E -bd 8 197A 8 81,-3.0 83,-2.7 -2,-0.6 2,-1.0 -0.851 6.6-150.2 -88.4 122.3 2.1 24.7 7.9 116 118 A L E - d 0 198A 1 -108,-2.9 2,-0.5 -2,-0.6 83,-0.2 -0.845 20.2-160.4 -90.9 97.3 2.2 22.8 11.2 117 119 A K E + d 0 199A 93 81,-2.5 83,-2.2 -2,-1.0 84,-0.6 -0.735 25.2 148.5 -88.1 128.3 -1.2 23.6 12.7 118 120 A V - 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0 0 73 0, 0.0 4,-2.3 0, 0.0 3,-0.7 -0.306 49.9 -93.5 -70.2 165.1 2.9 12.8 18.0 204 206 A P H 3> S+ 0 0 58 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.782 120.5 46.1 -51.6 -50.7 6.2 13.1 16.0 205 207 A A H 3> S+ 0 0 79 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.837 114.4 50.4 -66.3 -31.5 6.2 10.0 13.8 206 208 A T H <> S+ 0 0 72 -3,-0.7 4,-1.7 2,-0.2 -1,-0.2 0.901 110.4 48.4 -73.6 -39.8 2.5 10.6 12.9 207 209 A V H X S+ 0 0 7 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.924 110.8 53.1 -62.4 -43.5 3.3 14.2 12.0 208 210 A W H X S+ 0 0 46 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.901 108.4 47.5 -60.2 -45.5 6.2 13.0 9.9 209 211 A A H X S+ 0 0 54 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.850 112.1 52.2 -63.0 -32.7 4.1 10.5 7.9 210 212 A D H X S+ 0 0 36 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.906 109.9 48.1 -67.8 -43.2 1.6 13.3 7.4 211 213 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.929 111.2 50.1 -63.9 -45.2 4.4 15.6 6.1 212 214 A L H <>S+ 0 0 12 -4,-2.6 5,-1.9 1,-0.2 6,-0.9 0.902 111.5 49.2 -59.8 -37.9 5.6 12.9 3.7 213 215 A N H ><5S+ 0 0 92 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.849 112.3 48.3 -68.0 -37.2 2.1 12.3 2.5 214 216 A K H 3<5S+ 0 0 76 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.749 103.9 58.9 -79.6 -24.3 1.7 16.1 1.9 215 217 A L T 3<5S- 0 0 17 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.464 111.8-119.0 -78.7 -5.7 5.0 16.5 0.0 216 218 A G T < 5S+ 0 0 62 -3,-0.6 -3,-0.2 -4,-0.2 -2,-0.1 0.761 92.6 105.0 71.7 22.8 3.7 14.0 -2.5 217 219 A K < 0 0 80 -5,-1.9 -4,-0.2 -6,-0.2 -5,-0.1 0.270 360.0 360.0-116.4 5.1 6.6 11.8 -1.6 218 220 A N 0 0 139 -6,-0.9 -2,-0.1 -5,-0.2 -9,-0.0 -0.807 360.0 360.0-173.5 360.0 4.7 9.2 0.5