==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-APR-03 1P4S . COMPND 2 MOLECULE: ADENYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.MIRON,H.MUNIER-LEHMANN,C.T.CRAESCU . 181 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12313.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 9.9 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 . 14 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 43.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 5.0 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 1 0 0 2 1 2 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 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 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 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 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 M 0 0 143 0, 0.0 80,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 163.5 -31.4 33.8 3.7 2 2 A R - 0 0 8 78,-0.2 107,-2.0 103,-0.1 106,-0.7 -0.953 360.0-153.0-150.3 153.0 -33.3 37.0 2.7 3 3 A V E -ab 82 109A 3 78,-2.2 80,-1.9 -2,-0.3 2,-0.4 -0.979 5.0-165.6-141.6 145.0 -34.8 40.4 3.8 4 4 A L E -ab 83 110A 9 105,-2.0 107,-3.2 -2,-0.3 2,-0.6 -0.989 22.1-140.5-125.3 135.4 -37.6 42.9 2.8 5 5 A L E +ab 84 111A 4 78,-1.8 80,-2.2 -2,-0.4 81,-0.3 -0.888 26.0 176.1-117.0 114.4 -37.5 46.5 4.4 6 6 A L E + b 0 112A 6 105,-1.7 107,-2.0 -2,-0.6 82,-0.1 -0.642 13.6 116.2-113.3 160.9 -40.9 48.0 5.4 7 7 A G - 0 0 28 105,-0.2 3,-0.1 -2,-0.2 107,-0.1 -0.455 54.2 -86.8 151.8 149.4 -42.2 51.2 7.2 8 8 A P S S- 0 0 52 0, 0.0 105,-0.1 0, 0.0 80,-0.0 -0.088 73.0 -59.0 -56.3 168.3 -44.2 54.6 6.8 9 9 A P S S+ 0 0 55 0, 0.0 111,-0.2 0, 0.0 2,-0.1 -0.263 88.0 116.0 -50.8 132.5 -42.6 57.9 5.5 10 10 A G S S- 0 0 1 109,-0.2 110,-0.1 -3,-0.1 107,-0.1 -0.278 72.3-108.9 151.3 110.4 -39.6 58.8 7.9 11 11 A A S S+ 0 0 46 108,-0.1 2,-0.7 -2,-0.1 3,-0.3 0.561 88.5 91.6 -27.3 -46.3 -35.9 59.0 7.0 12 12 A G + 0 0 20 152,-0.2 101,-0.1 1,-0.2 152,-0.0 -0.515 65.9 68.0 -71.5 107.3 -34.6 55.8 9.0 13 13 A K S > S+ 0 0 26 -2,-0.7 4,-1.5 99,-0.0 3,-0.4 -0.170 88.2 50.9-172.5 -78.1 -34.6 52.7 6.6 14 14 A G H > S+ 0 0 24 -3,-0.3 4,-2.0 2,-0.2 5,-0.2 0.665 102.5 63.3 -51.3 -27.5 -32.1 52.8 3.8 15 15 A T H > S+ 0 0 75 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.958 111.6 35.2 -66.9 -52.3 -29.1 53.7 6.1 16 16 A Q H > S+ 0 0 13 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.677 115.1 60.5 -75.4 -15.6 -29.3 50.3 8.1 17 17 A A H X S+ 0 0 0 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.923 110.7 38.3 -70.9 -44.3 -30.4 48.5 4.7 18 18 A V H X S+ 0 0 61 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.933 118.2 50.1 -68.8 -46.4 -27.0 49.5 3.0 19 19 A K H X S+ 0 0 68 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.888 110.8 48.7 -54.9 -44.2 -25.0 48.8 6.3 20 20 A L H X S+ 0 0 10 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.842 108.1 55.4 -67.2 -32.5 -26.6 45.3 6.7 21 21 A A H X>S+ 0 0 7 -4,-1.5 4,-2.2 2,-0.2 5,-1.0 0.869 105.0 53.1 -62.8 -38.9 -25.8 44.5 3.0 22 22 A E H <5S+ 0 0 139 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.876 112.4 45.4 -59.3 -40.7 -22.1 45.3 3.8 23 23 A K H <5S+ 0 0 160 -4,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.926 123.6 32.2 -65.6 -49.1 -22.3 42.8 6.7 24 24 A L H <5S- 0 0 93 -4,-2.3 -2,-0.2 2,-0.1 -3,-0.2 0.684 104.0-117.7 -82.7 -25.0 -24.1 39.9 4.8 25 25 A G T <5 + 0 0 71 -4,-2.2 -3,-0.2 1,-0.2 -4,-0.1 0.828 63.1 141.4 85.6 41.3 -22.7 40.4 1.1 26 26 A I < - 0 0 38 -5,-1.0 2,-1.0 -6,-0.1 -1,-0.2 -0.721 61.1-104.5-115.7 157.9 -26.0 41.2 -0.7 27 27 A P - 0 0 40 0, 0.0 55,-1.2 0, 0.0 2,-0.9 -0.671 32.4-155.1 -74.6 101.2 -27.6 43.5 -3.5 28 28 A Q E -c 82 0A 39 -2,-1.0 2,-0.7 53,-0.2 55,-0.2 -0.697 14.0-168.9 -72.3 107.7 -29.5 46.2 -1.5 29 29 A I E -c 83 0A 19 53,-2.5 55,-1.9 -2,-0.9 2,-0.5 -0.906 7.0-171.2-104.3 109.4 -32.1 47.3 -4.1 30 30 A S E >> -c 84 0A 25 -2,-0.7 3,-1.2 53,-0.2 4,-0.9 -0.870 24.0-134.5 -96.4 129.0 -34.0 50.5 -3.1 31 31 A T T 34 S+ 0 0 9 53,-1.7 4,-0.4 -2,-0.5 54,-0.1 0.652 99.5 52.5 -68.4 -16.6 -36.9 51.1 -5.6 32 32 A G T 3> S+ 0 0 18 3,-0.1 4,-1.7 2,-0.1 -1,-0.2 0.685 102.3 58.9 -80.4 -23.3 -36.2 54.8 -6.1 33 33 A E H <> S+ 0 0 138 -3,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.940 107.1 38.7 -80.4 -52.6 -32.5 54.5 -7.1 34 34 A L H X S+ 0 0 26 -4,-0.9 4,-1.6 2,-0.2 -1,-0.1 0.878 119.6 50.3 -62.9 -39.1 -32.4 52.2 -10.2 35 35 A F H > S+ 0 0 1 -4,-0.4 4,-1.4 2,-0.2 -2,-0.2 0.902 107.7 51.5 -65.2 -47.1 -35.6 53.9 -11.5 36 36 A R H X S+ 0 0 187 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.888 108.6 53.0 -54.2 -42.1 -34.2 57.5 -11.0 37 37 A R H X S+ 0 0 167 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.897 107.4 50.6 -59.1 -40.4 -31.1 56.4 -13.0 38 38 A N H X>S+ 0 0 29 -4,-1.6 4,-1.9 2,-0.2 5,-1.2 0.740 104.3 59.2 -68.4 -23.8 -33.5 55.2 -15.9 39 39 A I H <5S+ 0 0 78 -4,-1.4 -2,-0.2 7,-0.2 -1,-0.2 0.923 109.4 43.1 -64.1 -48.7 -35.2 58.8 -15.7 40 40 A E H <5S+ 0 0 186 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.1 0.861 117.0 47.6 -64.4 -37.7 -31.7 60.4 -16.6 41 41 A E H <5S- 0 0 134 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.832 112.4-120.2 -67.0 -40.9 -31.1 57.6 -19.3 42 42 A G T <5 + 0 0 62 -4,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.931 55.3 147.5 95.3 69.3 -34.6 58.0 -20.9 43 43 A T < - 0 0 66 -5,-1.2 -4,-0.1 1,-0.0 -5,-0.0 0.883 45.6-138.0 -92.0 -49.9 -36.7 54.6 -20.8 44 44 A K S > S+ 0 0 178 -6,-0.2 4,-0.9 -5,-0.0 5,-0.2 -0.265 100.1 61.6 105.8 -41.5 -40.4 55.7 -20.5 45 45 A L H > S+ 0 0 75 2,-0.1 4,-0.7 3,-0.1 5,-0.2 0.593 97.1 65.5 -81.1 -14.1 -41.3 52.9 -17.9 46 46 A G H > S+ 0 0 0 -8,-0.2 4,-1.5 3,-0.1 -7,-0.2 0.952 105.8 37.3 -58.2 -56.5 -38.6 54.7 -15.6 47 47 A V H > S+ 0 0 64 -9,-0.2 4,-1.5 2,-0.2 -2,-0.1 0.904 121.2 38.3 -76.4 -50.0 -40.5 58.0 -15.1 48 48 A E H < S+ 0 0 117 -4,-0.9 4,-0.3 2,-0.2 5,-0.2 0.929 120.7 45.9 -64.9 -48.5 -44.3 57.0 -14.9 49 49 A A H X S+ 0 0 6 -4,-0.7 4,-1.6 1,-0.2 3,-0.3 0.795 114.9 47.7 -70.1 -29.2 -43.6 53.8 -12.8 50 50 A K H X S+ 0 0 34 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.827 114.7 45.5 -72.8 -34.7 -41.2 55.6 -10.4 51 51 A R H < S+ 0 0 186 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.1 -0.003 114.7 47.2 -74.6 -55.9 -43.6 58.6 -9.8 52 52 A Y H > S+ 0 0 72 -3,-0.3 4,-1.3 -4,-0.3 -2,-0.2 0.198 111.7 50.4 -27.6 -66.2 -46.6 56.4 -9.3 53 53 A L H < S+ 0 0 10 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.1 0.796 125.7 29.4 -59.3 -29.3 -44.6 54.1 -6.8 54 54 A D T < S+ 0 0 66 -4,-1.3 -1,-0.2 -5,-0.0 -3,-0.2 0.790 128.7 37.9 -92.4 -41.6 -43.5 57.4 -4.9 55 55 A A T 4 S- 0 0 16 -5,-0.1 88,-0.2 84,-0.1 -2,-0.1 0.900 106.7-111.6 -87.9 -41.1 -46.5 59.8 -5.6 56 56 A G < + 0 0 10 -4,-1.3 -3,-0.1 1,-0.3 2,-0.1 0.479 69.1 119.7 128.8 5.4 -49.6 57.4 -5.4 57 57 A D S S- 0 0 100 1,-0.1 -1,-0.3 -6,-0.1 2,-0.2 -0.344 77.7 -63.3 -83.4 173.7 -51.4 56.8 -8.7 58 58 A L - 0 0 154 -2,-0.1 -1,-0.1 -5,-0.0 -5,-0.1 -0.422 50.1-173.5 -76.2 128.8 -51.6 53.1 -10.2 59 59 A V - 0 0 15 -2,-0.2 -10,-0.0 -7,-0.1 -1,-0.0 -0.969 26.8-114.9-115.9 128.7 -48.3 51.3 -11.2 60 60 A P > - 0 0 72 0, 0.0 4,-0.6 0, 0.0 32,-0.0 -0.228 15.6-139.9 -60.1 149.3 -48.3 47.8 -13.1 61 61 A S H > S+ 0 0 34 2,-0.1 4,-2.2 3,-0.1 5,-0.2 0.892 88.4 59.1 -76.9 -45.9 -46.8 44.7 -11.3 62 62 A D H > S+ 0 0 132 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.885 106.3 45.2 -64.3 -46.6 -44.9 42.7 -14.1 63 63 A L H > S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.871 112.6 52.8 -57.9 -42.1 -42.4 45.5 -15.1 64 64 A T H X S+ 0 0 0 -4,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.934 112.4 43.5 -61.5 -48.8 -41.6 46.4 -11.4 65 65 A N H X S+ 0 0 20 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.703 111.5 58.1 -66.9 -20.1 -40.8 42.6 -10.6 66 66 A E H X S+ 0 0 133 -4,-1.2 4,-1.9 -5,-0.2 -2,-0.2 0.909 108.0 43.2 -72.3 -47.6 -38.8 42.6 -14.0 67 67 A L H X S+ 0 0 34 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.869 113.4 52.8 -63.7 -38.5 -36.4 45.5 -12.9 68 68 A V H X S+ 0 0 5 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.950 111.2 47.1 -56.6 -50.9 -36.1 43.9 -9.4 69 69 A D H X>S+ 0 0 77 -4,-1.7 4,-1.7 2,-0.2 5,-0.6 0.831 106.1 58.2 -60.1 -36.8 -35.0 40.5 -11.2 70 70 A D H <5S+ 0 0 103 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.911 111.9 41.8 -58.2 -45.8 -32.5 42.5 -13.5 71 71 A R H <5S+ 0 0 118 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.430 104.1 65.1 -87.0 6.1 -30.7 43.7 -10.2 72 72 A L H <5S- 0 0 19 -4,-0.6 -2,-0.2 -3,-0.3 -1,-0.2 0.918 75.8-170.9 -68.2 -49.9 -31.0 40.2 -8.6 73 73 A N T ><5 - 0 0 86 -4,-1.7 3,-1.3 3,-0.1 5,-0.1 0.849 30.1-147.2 49.5 39.2 -28.6 39.0 -11.5 74 74 A N T 3>> S- 0 0 12 -3,-0.3 4,-2.3 1,-0.1 3,-0.6 -0.997 77.6-123.3-141.6 134.6 -49.9 48.9 -0.6 90 90 A V H 3> S+ 0 0 26 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.857 109.6 59.0 -51.5 -38.3 -51.5 45.3 -0.3 91 91 A E H 34 S+ 0 0 154 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.847 115.1 30.6 -64.8 -38.6 -52.4 45.4 -4.2 92 92 A Q H X> S+ 0 0 15 -3,-0.6 3,-1.3 2,-0.1 4,-0.7 0.913 121.0 54.7 -74.3 -47.8 -48.7 45.8 -5.5 93 93 A A H 3X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.735 94.4 65.9 -57.3 -35.2 -47.2 43.8 -2.4 94 94 A K H 3X S+ 0 0 102 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.738 96.2 58.3 -59.9 -26.6 -49.4 40.6 -2.9 95 95 A A H <> S+ 0 0 26 -3,-1.3 4,-1.3 -4,-0.3 -1,-0.2 0.919 106.3 47.8 -66.4 -43.9 -47.6 40.0 -6.3 96 96 A L H X S+ 0 0 19 -4,-0.7 4,-1.7 2,-0.2 -2,-0.2 0.851 113.3 48.0 -61.7 -37.9 -44.1 39.9 -4.4 97 97 A H H X>S+ 0 0 41 -4,-1.7 4,-2.0 2,-0.2 5,-0.7 0.887 106.6 56.9 -67.9 -41.6 -45.8 37.4 -1.8 98 98 A E H <5S+ 0 0 88 -4,-2.1 5,-0.4 1,-0.2 4,-0.4 0.799 114.0 41.0 -53.2 -35.0 -47.2 35.3 -4.7 99 99 A M H <>S+ 0 0 66 -4,-1.3 5,-1.0 3,-0.3 6,-0.4 0.756 113.7 50.1 -85.4 -29.6 -43.5 35.0 -5.9 100 100 A L H X>S+ 0 0 16 -4,-1.7 5,-1.8 3,-0.2 4,-0.7 0.975 130.2 20.3 -69.4 -54.7 -41.7 34.4 -2.4 101 101 A E T <5S+ 0 0 111 -4,-2.0 -3,-0.2 3,-0.2 -2,-0.1 0.936 137.6 36.2 -77.2 -50.4 -44.2 31.6 -1.4 102 102 A R T 4> - 0 0 58 48,-0.4 3,-1.7 -2,-0.3 4,-0.5 -0.546 31.9-105.2 -91.7 155.4 -41.1 59.1 14.9 117 117 A E H >> S+ 0 0 170 1,-0.2 4,-1.4 -2,-0.2 3,-0.5 0.761 111.9 76.5 -45.3 -32.2 -42.3 62.3 13.1 118 118 A E H 3> S+ 0 0 122 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.793 85.5 60.5 -49.0 -39.0 -38.8 63.9 13.9 119 119 A V H <> S+ 0 0 16 -3,-1.7 4,-2.2 2,-0.2 3,-0.5 0.900 104.6 47.8 -60.1 -43.3 -37.1 61.8 11.0 120 120 A L H <<>S+ 0 0 60 -4,-0.5 5,-1.0 -3,-0.5 -1,-0.2 0.818 103.2 65.0 -58.3 -34.3 -39.4 63.5 8.4 121 121 A L H <>S+ 0 0 74 -4,-1.4 5,-0.5 3,-0.2 -2,-0.2 0.795 106.7 38.8 -68.9 -21.4 -38.4 66.8 10.1 122 122 A E H X>S+ 0 0 144 -4,-1.0 2,-2.5 -3,-0.5 4,-1.4 0.973 101.3 82.4 -68.6 -60.7 -34.8 66.2 8.9 123 123 A R T <5S- 0 0 107 -4,-2.2 -1,-0.1 1,-0.3 -2,-0.1 -0.076 137.5 -53.3 -25.1 47.7 -37.0 64.9 5.8 124 124 A L T 45S+ 0 0 63 -2,-2.5 4,-0.3 -3,-0.1 -1,-0.3 0.206 117.8 105.8 36.0 27.1 -37.0 68.6 5.0 125 125 A K T 4 S+ 0 0 120 2,-0.1 4,-0.7 3,-0.1 3,-0.2 0.822 80.9 57.0 -70.5 -40.2 -42.8 69.5 -4.9 133 133 A T T 4 S+ 0 0 22 2,-0.2 2,-2.1 3,-0.1 0, 0.0 0.346 74.5 72.1 -57.1-165.7 -44.3 67.7 -1.8 134 134 A D T > S+ 0 0 108 1,-0.2 4,-1.4 4,-0.0 -1,-0.1 -0.480 113.0 40.3 70.6 -62.5 -47.6 68.9 -0.1 135 135 A D H > S+ 0 0 126 -2,-2.1 4,-1.9 -4,-0.2 -1,-0.2 0.881 118.1 47.2 -69.3 -42.9 -49.5 67.7 -3.1 136 136 A V H X S+ 0 0 46 -4,-0.7 4,-2.1 2,-0.2 -3,-0.1 0.885 112.1 51.3 -63.6 -40.3 -47.2 64.5 -3.4 137 137 A I H > S+ 0 0 78 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.828 108.3 52.8 -63.1 -35.6 -47.8 64.0 0.5 138 138 A L H X S+ 0 0 117 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.927 111.9 43.5 -65.4 -47.0 -51.7 64.3 -0.0 139 139 A N H X S+ 0 0 37 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.871 113.7 52.3 -65.4 -37.4 -51.7 61.5 -2.8 140 140 A R H X S+ 0 0 54 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.886 106.5 53.1 -60.6 -42.7 -49.3 59.3 -0.6 141 141 A M H X S+ 0 0 112 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.800 105.1 56.1 -61.5 -32.2 -51.8 59.8 2.4 142 142 A K H X S+ 0 0 130 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.941 109.2 44.5 -61.0 -49.1 -54.6 58.5 0.0 143 143 A V H X S+ 0 0 19 -4,-1.8 4,-0.6 2,-0.2 5,-0.2 0.768 111.1 56.6 -65.1 -25.5 -52.5 55.2 -0.6 144 144 A Y H X S+ 0 0 95 -4,-1.6 4,-2.0 -5,-0.1 3,-0.5 0.947 107.9 47.3 -65.4 -49.4 -51.8 55.2 3.3 145 145 A R H < S+ 0 0 218 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.857 107.1 54.3 -61.3 -44.5 -55.7 55.1 4.0 146 146 A D H < S+ 0 0 96 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.1 0.757 126.4 13.9 -56.2 -32.2 -56.7 52.3 1.5 147 147 A E H X S+ 0 0 37 -4,-0.6 4,-2.6 -3,-0.5 5,-0.2 0.759 90.1 94.7-121.4 -40.5 -54.3 49.7 2.9 148 148 A T H X S+ 0 0 47 -4,-2.0 4,-2.1 -5,-0.2 -3,-0.1 0.698 92.8 45.8 -46.6 -40.0 -52.5 50.3 6.3 149 149 A A H > S+ 0 0 76 -4,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.996 121.1 37.3 -68.4 -61.2 -55.1 48.3 8.6 150 150 A P H > S+ 0 0 75 0, 0.0 4,-1.9 0, 0.0 -2,-0.2 0.799 117.2 55.5 -52.0 -32.6 -55.2 45.1 6.2 151 151 A L H X S+ 0 0 15 -4,-2.6 4,-2.5 2,-0.2 5,-0.4 0.945 106.3 48.4 -66.6 -51.5 -51.4 45.6 5.5 152 152 A L H X S+ 0 0 64 -4,-2.1 4,-0.9 -5,-0.2 -1,-0.2 0.695 110.5 53.2 -64.5 -21.2 -50.5 45.5 9.3 153 153 A E H X S+ 0 0 158 -4,-1.3 4,-1.4 3,-0.2 -2,-0.2 0.931 114.7 39.9 -71.9 -48.7 -52.7 42.2 9.6 154 154 A Y H X S+ 0 0 64 -4,-1.9 4,-1.3 2,-0.2 3,-0.2 0.979 128.0 32.3 -61.0 -56.7 -50.8 40.4 6.7 155 155 A Y H X S+ 0 0 12 -4,-2.5 4,-2.9 2,-0.2 -3,-0.2 0.811 111.3 65.1 -77.1 -28.0 -47.3 41.6 7.6 156 156 A R H < S+ 0 0 184 -4,-0.9 -1,-0.2 -5,-0.4 -2,-0.2 0.861 106.1 44.6 -60.3 -37.2 -48.0 41.7 11.5 157 157 A D H < S+ 0 0 157 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.866 124.7 36.0 -67.8 -37.9 -48.4 37.8 11.4 158 158 A Q H < S+ 0 0 65 -4,-1.3 -48,-0.4 -5,-0.1 -2,-0.2 0.776 102.3 91.7 -80.0 -33.2 -45.2 37.5 9.2 159 159 A L < - 0 0 43 -4,-2.9 2,-0.3 -50,-0.1 -48,-0.2 0.073 51.3-151.7 -82.0 174.7 -42.7 40.3 10.4 160 160 A K E -d 111 0A 73 -50,-2.7 -48,-1.6 2,-0.0 2,-0.3 -0.974 31.7-137.4-128.6 139.7 -39.8 41.3 12.8 161 161 A T E -d 112 0A 85 -2,-0.3 2,-0.4 -50,-0.2 -48,-0.2 -0.744 11.9-159.3-102.8 152.6 -39.6 45.0 13.9 162 162 A V E -d 113 0A 1 -50,-2.1 -48,-3.0 -2,-0.3 2,-0.4 -0.984 15.9-138.6-120.3 139.3 -36.7 47.5 14.3 163 163 A D E +d 114 0A 66 -2,-0.4 2,-0.3 -50,-0.2 -48,-0.2 -0.797 30.0 173.9 -94.5 134.5 -36.9 50.7 16.5 164 164 A A + 0 0 3 -50,-2.3 -48,-0.4 -2,-0.4 2,-0.3 -0.763 15.0 132.3-157.9 95.6 -35.3 53.6 14.6 165 165 A V S S- 0 0 42 -2,-0.3 2,-2.3 -50,-0.2 6,-0.1 -0.955 71.9 -29.4-151.9 125.0 -35.3 57.2 15.9 166 166 A G S S+ 0 0 61 -2,-0.3 2,-0.1 -50,-0.1 -51,-0.0 -0.357 104.0 84.1 78.6 -74.3 -32.5 59.8 16.2 167 167 A T - 0 0 66 -2,-2.3 -2,-0.2 1,-0.1 4,-0.1 -0.371 52.3-163.0 -79.6 147.5 -29.4 57.8 16.8 168 168 A M S > S+ 0 0 134 3,-0.1 4,-1.6 -2,-0.1 -1,-0.1 0.920 87.7 33.5 -91.4 -65.3 -27.1 56.1 14.1 169 169 A D H > S+ 0 0 140 2,-0.2 4,-1.2 1,-0.2 -2,-0.0 0.849 119.6 50.2 -68.3 -37.9 -24.9 53.4 16.0 170 170 A E H > S+ 0 0 127 2,-0.2 4,-1.6 1,-0.2 3,-0.5 0.946 108.4 53.0 -61.3 -48.7 -27.6 52.4 18.6 171 171 A V H > S+ 0 0 7 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.867 106.9 53.1 -55.7 -39.4 -30.3 51.9 15.8 172 172 A F H X S+ 0 0 47 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.838 103.5 57.8 -60.4 -35.6 -27.8 49.5 14.0 173 173 A A H X S+ 0 0 28 -4,-1.2 4,-2.0 -3,-0.5 -2,-0.2 0.940 108.1 45.7 -58.8 -48.3 -27.5 47.5 17.3 174 174 A R H X S+ 0 0 101 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.819 106.8 59.7 -60.8 -36.8 -31.3 46.9 17.3 175 175 A A H X S+ 0 0 2 -4,-1.6 4,-1.9 2,-0.2 5,-0.3 0.900 111.0 39.2 -60.9 -44.1 -31.3 45.9 13.5 176 176 A L H <>S+ 0 0 73 -4,-1.7 5,-2.5 3,-0.2 -2,-0.2 0.883 109.5 62.1 -71.3 -38.7 -28.8 42.9 14.1 177 177 A R H <5S+ 0 0 189 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.859 112.0 38.7 -49.6 -39.3 -30.7 42.1 17.4 178 178 A A H <5S+ 0 0 30 -4,-1.7 -2,-0.2 -18,-0.1 -1,-0.2 0.939 138.7 9.4 -70.3 -52.5 -33.8 41.4 15.2 179 179 A L T <5S+ 0 0 21 -4,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.919 129.0 32.4-102.3 -60.0 -32.0 39.7 12.2 180 180 A G T 5 0 0 47 -5,-0.3 -3,-0.2 1,-0.1 -4,-0.1 0.839 360.0 360.0 -79.2 -37.0 -28.2 38.8 12.6 181 181 A K < 0 0 224 -5,-2.5 -1,-0.1 0, 0.0 -2,-0.0 -0.877 360.0 360.0 130.2 360.0 -27.8 37.9 16.4