==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN/TRANSFERASE INHIBITOR 21-SEP-10 3AO5 . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.WIELENS,S.J.HEADEY,M.W.PARKER,D.K.CHALMERS,M.J.SCANLON . 275 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12978.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 2 0.7 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 . 15 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 0 0 0 0 0 2 0 2 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 2 0 2 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 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 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 57 A S > 0 0 106 0, 0.0 3,-1.6 0, 0.0 23,-0.4 0.000 360.0 360.0 360.0 141.6 17.9 -7.3 12.8 2 58 A P T 3 + 0 0 27 0, 0.0 131,-0.1 0, 0.0 23,-0.1 0.606 360.0 54.8 -67.4 -15.8 17.0 -9.5 9.8 3 59 A G T 3 S+ 0 0 4 51,-0.1 52,-2.4 49,-0.0 53,-2.0 0.286 83.9 108.8-100.6 9.0 14.0 -11.1 11.6 4 60 A I E < +a 56 0A 36 -3,-1.6 19,-1.2 51,-0.2 20,-0.5 -0.771 38.8 170.6 -99.4 126.0 12.2 -7.8 12.4 5 61 A W E -aB 57 22A 1 51,-2.5 53,-2.7 -2,-0.5 2,-0.4 -0.908 22.0-144.6-124.7 154.4 9.0 -6.7 10.8 6 62 A Q E -aB 58 21A 81 15,-2.4 15,-2.7 -2,-0.3 2,-0.5 -0.979 12.4-158.4-117.6 136.6 6.5 -4.0 11.4 7 63 A L E + B 0 20A 2 51,-2.7 2,-0.3 -2,-0.4 53,-0.3 -0.957 17.0 168.2-117.9 121.0 2.8 -4.5 10.8 8 64 A D E - B 0 19A 45 11,-2.5 11,-2.6 -2,-0.5 2,-0.3 -0.961 25.2-134.5-129.5 151.6 0.4 -1.5 10.2 9 65 A C E - B 0 18A 35 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.768 20.7-178.1 -99.4 148.5 -3.1 -1.2 9.1 10 66 A T E - B 0 17A 15 7,-2.1 7,-3.2 -2,-0.3 2,-0.4 -0.990 14.8-140.2-144.7 148.3 -4.3 1.3 6.5 11 67 A H E + B 0 16A 100 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.898 25.8 156.9-118.6 139.5 -7.8 2.0 5.2 12 68 A L E > + B 0 15A 53 3,-1.5 3,-2.5 -2,-0.4 -2,-0.1 -0.960 68.7 3.0-158.1 136.1 -9.0 2.9 1.6 13 69 A E T 3 S- 0 0 110 -2,-0.3 3,-0.1 1,-0.3 90,-0.1 0.796 126.0 -62.5 56.6 30.4 -12.3 2.5 -0.1 14 70 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.560 115.3 110.6 74.3 6.3 -13.9 1.2 3.1 15 71 A K E < -B 12 0A 97 -3,-2.5 -3,-1.5 20,-0.0 2,-0.5 -0.656 67.3-120.2-106.9 168.5 -11.6 -1.8 3.1 16 72 A V E -BC 11 33A 13 17,-1.0 17,-2.5 -2,-0.2 2,-0.5 -0.917 20.5-164.7-111.3 130.0 -8.8 -2.7 5.3 17 73 A I E -BC 10 32A 0 -7,-3.2 -7,-2.1 -2,-0.5 2,-0.5 -0.955 5.6-156.4-114.2 119.1 -5.1 -3.2 4.1 18 74 A L E -BC 9 31A 2 13,-2.5 13,-2.0 -2,-0.5 2,-0.5 -0.828 11.9-168.7 -89.3 134.5 -2.5 -4.9 6.3 19 75 A V E -BC 8 30A 0 -11,-2.6 -11,-2.5 -2,-0.5 2,-0.5 -0.978 6.9-168.5-128.8 116.5 1.1 -4.0 5.4 20 76 A A E -BC 7 29A 0 9,-3.3 9,-2.5 -2,-0.5 2,-0.4 -0.907 9.6-166.2-101.2 129.6 4.1 -5.8 6.8 21 77 A V E -BC 6 28A 14 -15,-2.7 -15,-2.4 -2,-0.5 2,-1.0 -0.961 23.0-132.7-117.8 132.5 7.4 -4.2 6.2 22 78 A H E >> -B 5 0A 0 5,-3.2 4,-2.8 -2,-0.4 3,-1.5 -0.748 25.1-149.4 -81.6 106.0 10.8 -5.8 6.7 23 79 A V T 34 S+ 0 0 80 -19,-1.2 -1,-0.2 -2,-1.0 -18,-0.1 0.814 87.4 50.2 -49.5 -47.7 12.4 -3.1 8.7 24 80 A A T 34 S+ 0 0 53 -20,-0.5 -1,-0.3 -23,-0.4 -19,-0.1 0.784 126.0 23.4 -62.6 -28.9 16.0 -3.6 7.6 25 81 A S T <4 S- 0 0 4 -3,-1.5 -2,-0.2 2,-0.1 -1,-0.2 0.685 92.1-122.8-116.6 -25.5 15.2 -3.6 3.9 26 82 A G < + 0 0 7 -4,-2.8 -3,-0.1 1,-0.3 99,-0.1 0.371 58.3 149.9 88.5 -4.9 11.9 -1.8 3.2 27 83 A Y - 0 0 1 -5,-0.5 -5,-3.2 98,-0.3 2,-0.3 -0.376 31.1-152.0 -62.1 139.3 10.5 -4.9 1.5 28 84 A I E -C 21 0A 0 -7,-0.2 2,-0.4 83,-0.2 -7,-0.2 -0.887 24.6-171.9-123.9 143.3 6.7 -5.2 1.9 29 85 A E E +C 20 0A 13 -9,-2.5 -9,-3.3 -2,-0.3 2,-0.3 -0.995 25.8 171.3-123.0 130.0 4.0 -7.9 2.0 30 86 A A E +C 19 0A 0 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.978 12.7 177.8-141.8 155.2 0.5 -6.5 2.0 31 87 A E E -C 18 0A 16 -13,-2.0 -13,-2.5 -2,-0.3 2,-0.5 -0.984 29.5-125.8-151.0 143.3 -3.0 -7.8 1.7 32 88 A V E -C 17 0A 33 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.0 -0.823 35.2-164.7 -85.2 132.3 -6.5 -6.4 1.7 33 89 A I E -C 16 0A 13 -17,-2.5 -17,-1.0 -2,-0.5 3,-0.1 -0.894 28.2-120.0-121.2 154.1 -8.5 -8.3 4.3 34 90 A P S S- 0 0 104 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.865 91.6 -5.6 -63.5 -36.8 -12.3 -8.4 4.9 35 91 A A S S- 0 0 43 2,-0.1 2,-2.3 -20,-0.1 5,-0.2 -0.989 72.5-105.2-157.8 151.4 -12.2 -6.9 8.4 36 92 A E + 0 0 55 -2,-0.3 2,-0.3 -3,-0.1 28,-0.1 -0.474 69.8 140.8 -78.4 77.0 -9.6 -5.9 10.9 37 93 A T > - 0 0 57 -2,-2.3 4,-2.7 1,-0.1 5,-0.2 -0.745 66.5-111.8-120.8 164.2 -10.2 -8.9 13.2 38 94 A G H > S+ 0 0 20 -2,-0.3 4,-3.5 1,-0.2 5,-0.2 0.912 116.7 51.0 -59.4 -44.6 -8.0 -11.2 15.3 39 95 A Q H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.906 113.8 42.6 -60.9 -45.3 -8.8 -14.2 13.0 40 96 A E H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.882 116.1 50.2 -71.4 -35.2 -7.8 -12.3 9.8 41 97 A T H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.949 110.4 48.9 -64.9 -50.0 -4.8 -10.8 11.6 42 98 A A H X S+ 0 0 5 -4,-3.5 4,-2.4 1,-0.2 -2,-0.2 0.909 111.9 50.4 -52.5 -46.4 -3.7 -14.3 12.8 43 99 A Y H X S+ 0 0 24 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.925 109.7 49.0 -61.3 -47.8 -4.1 -15.6 9.3 44 100 A F H X S+ 0 0 6 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.915 112.4 48.7 -55.4 -46.7 -2.0 -12.8 7.8 45 101 A L H X S+ 0 0 3 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.901 109.7 53.1 -63.4 -37.8 0.7 -13.4 10.4 46 102 A L H X S+ 0 0 13 -4,-2.4 4,-1.0 -5,-0.2 -2,-0.2 0.904 111.3 45.2 -64.1 -42.2 0.6 -17.1 9.6 47 103 A K H >X S+ 0 0 25 -4,-2.4 4,-0.8 2,-0.2 3,-0.5 0.943 114.1 48.7 -64.9 -49.2 1.1 -16.6 5.9 48 104 A L H >X S+ 0 0 4 -4,-2.7 4,-1.7 1,-0.2 3,-1.3 0.930 110.1 51.0 -55.9 -50.3 3.9 -14.0 6.4 49 105 A A H 3< S+ 0 0 2 -4,-2.8 5,-0.3 1,-0.3 -1,-0.2 0.716 106.1 55.7 -65.6 -21.6 5.8 -16.3 8.9 50 106 A G H << S+ 0 0 1 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.685 112.8 41.9 -83.4 -14.6 5.7 -19.2 6.5 51 107 A R H << S+ 0 0 11 -3,-1.3 -2,-0.2 -4,-0.8 -1,-0.1 0.712 122.0 23.7-105.4 -24.6 7.3 -17.2 3.7 52 108 A W S < S- 0 0 6 -4,-1.7 2,-1.4 -49,-0.0 -1,-0.2 -0.958 89.8 -95.2-138.6 154.3 10.1 -15.3 5.6 53 109 A P - 0 0 58 0, 0.0 2,-0.6 0, 0.0 -4,-0.1 -0.568 48.7-175.7 -71.9 94.6 12.0 -15.8 8.9 54 110 A V + 0 0 12 -2,-1.4 -50,-0.2 -5,-0.3 3,-0.1 -0.825 20.6 155.4 -97.1 121.6 9.8 -13.7 11.2 55 111 A K + 0 0 139 -52,-2.4 25,-2.8 -2,-0.6 2,-0.4 0.750 68.2 19.6-108.2 -42.8 11.2 -13.5 14.7 56 112 A T E -ad 4 80A 16 -53,-2.0 -51,-2.5 23,-0.2 2,-0.5 -0.994 59.4-166.1-134.0 132.5 9.7 -10.2 16.0 57 113 A V E -a 5 0A 2 23,-1.9 2,-0.6 -2,-0.4 -51,-0.2 -0.983 9.6-153.5-119.3 126.8 6.7 -8.2 14.8 58 114 A H E +a 6 0A 64 -53,-2.7 -51,-2.7 -2,-0.5 2,-0.2 -0.883 27.6 172.2 -94.9 124.1 6.2 -4.6 16.0 59 115 A T - 0 0 20 -2,-0.6 -51,-0.1 -53,-0.2 -53,-0.0 -0.579 50.4-102.0-124.5-179.0 2.5 -3.7 15.8 60 116 A D - 0 0 69 -53,-0.3 -52,-0.1 -2,-0.2 -2,-0.0 0.421 52.0-131.5 -88.7 3.7 0.1 -0.9 16.8 61 117 A N + 0 0 113 1,-0.1 4,-0.0 3,-0.0 -1,-0.0 0.611 53.6 151.9 61.8 18.8 -0.9 -3.2 19.8 62 118 A G > - 0 0 24 2,-0.1 3,-2.6 1,-0.1 4,-0.2 0.091 61.4 -72.3 -77.8-172.3 -4.6 -2.7 19.0 63 119 A S G > S+ 0 0 96 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.793 123.8 61.2 -51.6 -41.4 -7.8 -4.7 19.6 64 120 A N G 3 S+ 0 0 7 1,-0.3 -1,-0.3 2,-0.1 -22,-0.1 0.530 102.7 54.3 -69.6 -2.0 -7.1 -7.2 16.9 65 121 A F G < S+ 0 0 22 -3,-2.6 -1,-0.3 1,-0.1 -2,-0.2 0.349 94.4 67.3-108.9 4.2 -3.9 -8.3 18.7 66 122 A T S < S+ 0 0 114 -3,-1.8 -2,-0.1 -4,-0.2 -1,-0.1 0.609 79.3 99.2 -99.0 -13.0 -5.4 -9.1 22.1 67 123 A G S > S- 0 0 31 -4,-0.4 4,-1.4 1,-0.1 5,-0.2 -0.127 81.2-108.9 -83.5 172.7 -7.5 -12.1 21.3 68 124 A A H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.885 111.8 54.5 -64.6 -41.0 -6.9 -15.8 21.7 69 125 A T H > S+ 0 0 80 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.919 108.5 45.8 -66.7 -46.6 -6.4 -16.6 18.0 70 126 A V H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.864 112.6 50.4 -62.4 -40.7 -3.6 -14.1 17.3 71 127 A R H X S+ 0 0 195 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.958 113.5 46.4 -62.6 -49.9 -1.7 -15.0 20.5 72 128 A A H X S+ 0 0 53 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.913 110.7 52.1 -55.4 -48.5 -1.9 -18.7 19.5 73 129 A A H X S+ 0 0 20 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.919 113.4 43.9 -59.3 -44.5 -0.9 -18.1 15.9 74 130 A C H X>S+ 0 0 8 -4,-2.1 5,-2.6 2,-0.2 4,-1.0 0.890 112.8 52.4 -67.1 -40.8 2.2 -16.2 17.0 75 131 A D H ><5S+ 0 0 123 -4,-2.7 3,-1.0 3,-0.2 -2,-0.2 0.965 111.5 46.5 -57.8 -53.1 3.0 -18.8 19.6 76 132 A W H 3<5S+ 0 0 92 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.881 114.3 47.1 -57.5 -43.9 2.8 -21.6 17.0 77 133 A A H 3<5S- 0 0 13 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.578 112.8-117.0 -77.9 -11.6 4.9 -19.7 14.5 78 134 A G T <<5 + 0 0 56 -3,-1.0 2,-0.4 -4,-1.0 -3,-0.2 0.735 62.5 150.8 80.5 24.4 7.5 -18.8 17.1 79 135 A I < - 0 0 14 -5,-2.6 2,-0.5 -6,-0.2 -1,-0.2 -0.721 32.6-155.7 -93.5 137.7 6.8 -15.0 16.7 80 136 A K B -d 56 0A 115 -25,-2.8 -23,-1.9 -2,-0.4 2,-1.1 -0.931 9.0-148.7-111.4 130.3 7.4 -12.5 19.5 81 137 A Q 0 0 57 -2,-0.5 -23,-0.1 -25,-0.2 -25,-0.1 -0.764 360.0 360.0 -92.9 90.5 5.5 -9.2 19.6 82 138 A E 0 0 146 -2,-1.1 -23,-0.1 -25,-0.1 -26,-0.0 -0.434 360.0 360.0 -64.4 360.0 8.1 -7.0 21.3 83 ! 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 84 153 A S >> 0 0 132 0, 0.0 3,-1.3 0, 0.0 4,-1.2 0.000 360.0 360.0 360.0 -53.7 5.4 6.7 6.2 85 154 A M H 3> + 0 0 67 1,-0.3 4,-1.8 2,-0.2 3,-0.3 0.877 360.0 60.0 -53.3 -38.9 6.1 3.8 3.8 86 155 A N H 3> S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.787 96.9 59.9 -61.0 -29.7 2.4 3.3 3.7 87 156 A K H <> S+ 0 0 158 -3,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.924 106.7 45.8 -64.2 -43.3 2.0 6.8 2.3 88 157 A E H X S+ 0 0 58 -4,-1.2 4,-2.2 -3,-0.3 -2,-0.2 0.841 111.2 52.3 -69.0 -34.2 4.2 5.9 -0.7 89 158 A L H X S+ 0 0 3 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.912 108.4 50.6 -67.9 -41.3 2.2 2.6 -1.1 90 159 A K H X S+ 0 0 82 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.832 107.7 55.4 -64.8 -29.5 -1.0 4.5 -1.2 91 160 A K H X S+ 0 0 128 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.952 110.4 43.6 -64.5 -49.2 0.6 6.8 -3.8 92 161 A I H X S+ 0 0 5 -4,-2.2 4,-1.7 1,-0.2 5,-0.2 0.883 109.1 56.6 -63.7 -40.1 1.4 3.8 -6.0 93 162 A I H X S+ 0 0 6 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.929 107.0 53.3 -57.5 -41.3 -2.1 2.3 -5.4 94 163 A G H X S+ 0 0 49 -4,-1.7 4,-0.6 1,-0.2 3,-0.5 0.943 106.4 47.9 -56.4 -53.6 -3.4 5.6 -6.7 95 164 A Q H < S+ 0 0 111 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.769 123.7 33.9 -68.2 -21.9 -1.5 5.7 -10.0 96 165 A V H >< S+ 0 0 6 -4,-1.7 3,-2.4 -3,-0.2 -1,-0.2 0.505 89.0 97.9-104.3 -7.0 -2.5 2.1 -10.8 97 166 A R H >< S+ 0 0 57 -4,-1.5 3,-1.5 -3,-0.5 -2,-0.1 0.878 80.0 57.2 -50.4 -40.5 -6.0 2.0 -9.2 98 167 A D T 3< S+ 0 0 134 -4,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.660 93.5 68.9 -68.0 -14.4 -7.7 2.7 -12.6 99 168 A Q T < S+ 0 0 111 -3,-2.4 2,-0.3 1,-0.0 -1,-0.3 0.367 101.8 45.6 -89.3 7.0 -6.1 -0.5 -14.1 100 169 A A < - 0 0 17 -3,-1.5 -1,-0.0 -4,-0.2 6,-0.0 -0.998 62.8-145.9-147.8 146.1 -8.1 -2.8 -12.0 101 170 A E S S+ 0 0 170 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.822 89.8 60.7 -74.1 -31.9 -11.8 -3.3 -10.9 102 171 A H S >> S- 0 0 96 1,-0.1 4,-1.5 0, 0.0 3,-1.3 -0.845 73.3-142.8-108.4 131.6 -10.7 -4.6 -7.5 103 172 A L H 3> S+ 0 0 2 -2,-0.4 4,-3.1 1,-0.3 5,-0.2 0.878 101.5 64.3 -50.9 -45.2 -8.7 -2.9 -4.9 104 173 A K H 3> S+ 0 0 72 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.828 103.0 49.2 -52.2 -33.5 -6.9 -6.1 -4.0 105 174 A T H <> S+ 0 0 24 -3,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.929 110.3 49.0 -73.7 -44.9 -5.4 -6.1 -7.5 106 175 A A H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.916 110.1 52.7 -58.2 -43.9 -4.2 -2.5 -7.3 107 176 A V H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.944 110.2 47.1 -59.2 -45.6 -2.6 -3.3 -3.9 108 177 A Q H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.874 109.8 52.7 -67.7 -34.2 -0.7 -6.3 -5.3 109 178 A M H X S+ 0 0 12 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.917 110.3 49.6 -64.4 -37.6 0.4 -4.3 -8.3 110 179 A A H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.874 108.7 52.0 -69.2 -39.2 1.7 -1.6 -5.8 111 180 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.957 110.3 48.6 -59.5 -50.6 3.5 -4.3 -3.8 112 181 A F H X S+ 0 0 26 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.957 114.6 46.2 -52.6 -50.4 5.2 -5.6 -7.0 113 182 A I H X S+ 0 0 45 -4,-2.6 4,-1.5 1,-0.2 3,-0.2 0.935 112.2 48.9 -63.5 -46.3 6.2 -2.0 -7.9 114 183 A H H < S+ 0 0 16 -4,-3.1 11,-0.5 1,-0.2 -1,-0.2 0.909 114.7 45.5 -56.3 -45.3 7.5 -1.1 -4.4 115 184 A N H < S+ 0 0 4 -4,-2.6 11,-2.1 1,-0.2 12,-0.4 0.723 116.2 44.1 -77.2 -22.3 9.6 -4.2 -4.1 116 185 A H H < S+ 0 0 72 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.605 84.5 114.6 -93.3 -15.9 11.1 -4.0 -7.6 117 186 A K < - 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