==== 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 20-SEP-10 3AO4 . 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 . 272 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12291.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 12.5 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 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 . 14 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 39.7 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 2 1 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 92 0, 0.0 3,-1.0 0, 0.0 23,-0.5 0.000 360.0 360.0 360.0 -17.6 2.2 8.9 13.2 2 58 A P T 3 + 0 0 43 0, 0.0 23,-0.1 0, 0.0 135,-0.1 0.663 360.0 52.9 -59.6 -24.3 0.2 8.2 10.0 3 59 A G T 3 S+ 0 0 6 51,-0.1 52,-2.4 49,-0.1 53,-2.1 0.301 86.2 108.3 -97.0 7.5 -2.6 10.0 11.8 4 60 A I E < +a 56 0A 42 -3,-1.0 19,-1.5 51,-0.2 20,-0.4 -0.757 40.5 172.3 -96.1 121.2 -0.6 13.2 12.7 5 61 A W E -aB 57 22A 0 51,-2.5 53,-3.0 -2,-0.5 2,-0.4 -0.916 23.3-144.6-123.8 148.3 -1.3 16.5 10.9 6 62 A Q E -aB 58 21A 50 15,-2.6 15,-3.3 -2,-0.3 2,-0.5 -0.969 16.6-162.3-109.3 130.3 -0.0 20.0 11.6 7 63 A L E + B 0 20A 1 51,-3.1 53,-0.4 -2,-0.4 2,-0.3 -0.952 16.5 164.2-117.7 128.0 -2.5 22.9 10.9 8 64 A D E - B 0 19A 17 11,-2.6 11,-3.2 -2,-0.5 2,-0.3 -0.939 30.5-126.2-136.3 162.0 -1.3 26.4 10.5 9 65 A C E - B 0 18A 30 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.747 22.6-176.3-101.6 151.3 -2.7 29.7 9.2 10 66 A T E - B 0 17A 9 7,-2.3 7,-2.9 -2,-0.3 2,-0.4 -0.956 14.2-141.6-138.4 156.1 -1.0 31.8 6.5 11 67 A H E + B 0 16A 91 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.957 22.5 165.0-126.4 137.0 -2.2 35.2 5.2 12 68 A L E > - B 0 15A 43 3,-1.9 3,-2.3 -2,-0.4 -2,-0.0 -0.961 68.8 -7.1-151.0 128.5 -2.1 36.7 1.7 13 69 A E T 3 S- 0 0 110 -2,-0.3 3,-0.1 1,-0.3 92,-0.1 0.843 126.2 -56.8 61.9 35.5 -3.8 39.7 0.2 14 70 A G T 3 S+ 0 0 84 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.611 115.7 111.1 73.2 11.7 -5.9 40.2 3.3 15 71 A K E < -B 12 0A 106 -3,-2.3 -3,-1.9 20,-0.0 2,-0.4 -0.812 65.4-119.3-119.8 164.5 -7.3 36.7 3.2 16 72 A V E -BC 11 33A 17 17,-0.9 17,-3.2 -2,-0.3 2,-0.5 -0.849 21.4-170.4-108.0 132.8 -6.8 33.7 5.4 17 73 A I E -BC 10 32A 0 -7,-2.9 -7,-2.3 -2,-0.4 2,-0.5 -0.977 9.2-154.2-119.8 126.1 -5.4 30.4 4.3 18 74 A L E -BC 9 31A 2 13,-2.3 13,-1.8 -2,-0.5 2,-0.5 -0.828 12.7-167.1 -95.4 131.8 -5.5 27.2 6.4 19 75 A V E -BC 8 30A 0 -11,-3.2 -11,-2.6 -2,-0.5 2,-0.5 -0.980 5.3-168.1-124.6 122.2 -2.8 24.8 5.6 20 76 A A E -BC 7 29A 0 9,-3.4 9,-2.3 -2,-0.5 2,-0.5 -0.921 7.9-163.7-108.1 126.9 -2.8 21.2 7.0 21 77 A V E -BC 6 28A 6 -15,-3.3 -15,-2.6 -2,-0.5 2,-1.0 -0.936 21.8-134.7-114.4 129.7 0.3 19.2 6.5 22 78 A H E >>> -BC 5 27A 0 5,-2.8 4,-3.5 -2,-0.5 3,-0.9 -0.764 25.6-149.9 -78.7 106.2 0.5 15.5 6.9 23 79 A V T 345S+ 0 0 75 -19,-1.5 -1,-0.2 -2,-1.0 -18,-0.1 0.884 88.2 48.0 -52.3 -51.2 3.7 15.5 9.0 24 80 A A T 345S+ 0 0 45 -23,-0.5 -1,-0.3 -20,-0.4 -19,-0.1 0.806 126.7 24.6 -65.3 -27.1 5.1 12.1 7.9 25 81 A S T <45S- 0 0 4 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.737 91.4-127.1-110.0 -26.8 4.6 12.8 4.1 26 82 A G T <5 + 0 0 8 -4,-3.5 -3,-0.2 1,-0.3 103,-0.1 0.453 56.2 152.0 83.5 2.6 4.6 16.5 3.6 27 83 A Y E < -C 22 0A 1 -5,-0.6 -5,-2.8 102,-0.3 2,-0.3 -0.444 31.5-148.2 -65.3 143.1 1.3 16.2 1.8 28 84 A I E -C 21 0A 0 85,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.839 25.5-173.5-123.7 139.1 -0.8 19.3 2.0 29 85 A E E +C 20 0A 8 -9,-2.3 -9,-3.4 -2,-0.3 2,-0.3 -0.993 28.1 163.9-116.4 130.8 -4.5 20.2 2.2 30 86 A A E +C 19 0A 0 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.990 11.2 170.5-148.0 150.3 -5.0 24.0 2.1 31 87 A E E -C 18 0A 20 -13,-1.8 -13,-2.3 -2,-0.3 2,-0.3 -0.960 37.8-111.2-159.1 149.1 -7.9 26.4 1.4 32 88 A V E -C 17 0A 33 -2,-0.3 -15,-0.3 -15,-0.2 -2,-0.0 -0.610 40.6-158.8 -75.2 132.4 -8.7 30.2 1.6 33 89 A I E -C 16 0A 7 -17,-3.2 -17,-0.9 -2,-0.3 3,-0.1 -0.941 24.9-120.2-118.5 155.0 -11.3 30.5 4.4 34 90 A P S S- 0 0 103 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.662 90.7 -9.6 -67.8 -19.5 -13.7 33.4 4.8 35 91 A A - 0 0 38 2,-0.1 2,-2.2 -19,-0.1 5,-0.2 -0.873 69.4-106.4-175.7 145.0 -12.3 34.3 8.4 36 92 A E S S+ 0 0 59 -2,-0.2 2,-0.3 -3,-0.1 3,-0.0 -0.458 74.0 136.8 -76.9 71.4 -9.9 32.8 11.0 37 93 A T S > S- 0 0 61 -2,-2.2 4,-2.1 1,-0.1 5,-0.2 -0.758 70.7-110.1-120.7 163.1 -12.9 31.8 13.3 38 94 A G H > S+ 0 0 20 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.934 117.2 51.4 -53.0 -52.9 -13.9 28.8 15.3 39 95 A Q H > S+ 0 0 92 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.864 112.9 41.6 -52.7 -48.0 -16.7 28.0 12.9 40 96 A E H > S+ 0 0 28 2,-0.2 4,-2.3 -5,-0.2 -1,-0.2 0.807 115.1 52.2 -76.4 -30.7 -14.6 28.1 9.7 41 97 A T H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.933 108.5 50.3 -69.4 -39.3 -11.7 26.2 11.4 42 98 A A H X S+ 0 0 4 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.920 111.0 50.9 -62.5 -41.8 -14.1 23.5 12.6 43 99 A Y H X S+ 0 0 19 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.912 110.0 46.9 -59.2 -50.7 -15.4 23.2 9.1 44 100 A F H X S+ 0 0 6 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.906 113.9 49.9 -60.6 -40.8 -11.9 22.9 7.6 45 101 A L H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.904 110.3 49.1 -66.4 -41.7 -11.1 20.2 10.3 46 102 A L H X S+ 0 0 11 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.910 111.4 51.0 -64.1 -42.7 -14.2 18.3 9.6 47 103 A K H X S+ 0 0 8 -4,-2.7 4,-0.5 -5,-0.2 -2,-0.2 0.939 112.3 45.2 -58.1 -48.7 -13.4 18.4 5.9 48 104 A L H >X S+ 0 0 4 -4,-2.6 4,-1.6 1,-0.2 3,-1.3 0.911 111.4 52.0 -58.6 -44.9 -9.9 17.1 6.4 49 105 A A H 3< S+ 0 0 1 -4,-2.4 5,-0.3 1,-0.3 -1,-0.2 0.736 105.5 56.5 -72.3 -21.3 -10.9 14.3 8.8 50 106 A G H 3< S+ 0 0 1 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.606 112.8 40.7 -81.5 -9.8 -13.5 13.1 6.4 51 107 A R H << S+ 0 0 10 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.660 123.6 22.3-108.1 -23.4 -10.9 12.6 3.7 52 108 A W S < S- 0 0 7 -4,-1.6 2,-1.4 -49,-0.0 -1,-0.2 -0.921 90.1 -93.6-142.9 161.7 -7.9 11.2 5.6 53 109 A P - 0 0 39 0, 0.0 2,-0.5 0, 0.0 -4,-0.1 -0.660 48.4-175.9 -88.0 92.3 -7.5 9.3 8.9 54 110 A V + 0 0 7 -2,-1.4 -50,-0.2 -5,-0.3 3,-0.1 -0.800 21.0 155.5 -98.5 122.1 -6.8 12.2 11.3 55 111 A K + 0 0 123 -52,-2.4 25,-2.6 -2,-0.5 2,-0.4 0.719 69.2 21.6-109.7 -41.7 -6.0 11.2 14.9 56 112 A T E -ad 4 80A 15 -53,-2.1 -51,-2.5 23,-0.2 2,-0.5 -0.986 58.8-165.8-135.1 133.4 -4.0 14.1 16.1 57 113 A V E -ad 5 81A 2 23,-2.2 25,-1.4 -2,-0.4 2,-0.6 -0.994 10.6-153.2-118.6 123.0 -3.7 17.8 14.9 58 114 A H E +a 6 0A 65 -53,-3.0 -51,-3.1 -2,-0.5 2,-0.2 -0.883 30.1 170.3 -87.7 125.1 -0.9 19.9 16.1 59 115 A T - 0 0 16 -2,-0.6 -51,-0.1 23,-0.4 -2,-0.0 -0.712 50.8-101.8-130.2 174.3 -2.2 23.5 15.9 60 116 A D - 0 0 74 -53,-0.4 -52,-0.1 -2,-0.2 -2,-0.0 0.569 49.1-130.8 -78.1 -7.1 -1.0 27.0 17.1 61 117 A N + 0 0 100 1,-0.1 4,-0.1 3,-0.0 -1,-0.1 0.553 55.2 152.2 63.3 21.7 -3.6 26.7 20.0 62 118 A G > - 0 0 24 2,-0.1 3,-2.2 1,-0.1 -1,-0.1 0.128 62.6 -71.5 -73.9-173.0 -4.9 30.2 19.2 63 119 A S G > S+ 0 0 95 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.672 124.3 62.6 -57.1 -33.2 -8.2 31.9 19.6 64 120 A N G 3 S+ 0 0 6 1,-0.3 -1,-0.3 2,-0.1 6,-0.1 0.355 102.9 51.8 -79.0 2.8 -10.0 29.9 16.9 65 121 A F G < S+ 0 0 7 -3,-2.2 -1,-0.3 -4,-0.1 -2,-0.2 0.241 95.2 69.3-112.6 8.2 -9.4 26.7 18.9 66 122 A T S < S+ 0 0 92 -3,-1.4 -2,-0.1 -4,-0.1 -3,-0.1 0.558 79.0 93.0-101.3 -11.4 -10.8 27.8 22.2 67 123 A G S > S- 0 0 32 -4,-0.3 4,-1.2 1,-0.1 5,-0.2 -0.229 85.3-111.0 -86.4 172.6 -14.5 28.0 21.4 68 124 A A H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.755 110.9 62.9 -75.7 -22.7 -17.2 25.4 21.8 69 125 A T H > S+ 0 0 76 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.969 106.1 39.1 -67.8 -52.8 -17.5 24.9 18.0 70 126 A V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.880 117.6 50.0 -66.1 -39.6 -14.0 23.7 17.2 71 127 A R H X S+ 0 0 152 -4,-1.2 4,-2.6 2,-0.2 5,-0.2 0.936 111.2 49.7 -62.5 -44.9 -13.8 21.5 20.4 72 128 A A H X S+ 0 0 53 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.920 111.3 49.2 -58.7 -43.0 -17.1 20.1 19.4 73 129 A A H X S+ 0 0 11 -4,-2.7 4,-2.7 2,-0.2 6,-0.2 0.926 113.7 45.7 -62.8 -44.8 -15.9 19.3 15.9 74 130 A C H X>S+ 0 0 7 -4,-2.7 5,-3.3 1,-0.2 4,-1.1 0.927 112.8 49.2 -64.2 -49.8 -12.7 17.7 17.1 75 131 A D H ><5S+ 0 0 135 -4,-2.6 3,-0.6 3,-0.2 -1,-0.2 0.941 113.4 48.1 -45.2 -55.2 -14.5 15.7 19.7 76 132 A W H 3<5S+ 0 0 84 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.880 113.4 46.3 -58.0 -45.3 -17.1 14.5 17.0 77 133 A A H 3<5S- 0 0 11 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.584 114.5-114.6 -82.4 -8.6 -14.4 13.6 14.5 78 134 A G T <<5 + 0 0 55 -4,-1.1 2,-0.4 -3,-0.6 -3,-0.2 0.800 66.6 146.7 85.1 25.9 -12.4 11.7 17.1 79 135 A I < - 0 0 12 -5,-3.3 2,-0.4 -6,-0.2 -1,-0.3 -0.808 34.0-158.8-101.2 136.5 -9.5 14.2 16.8 80 136 A K E -d 56 0A 56 -25,-2.6 -23,-2.2 -2,-0.4 2,-0.4 -0.917 13.6-137.0-107.6 137.9 -7.2 15.2 19.7 81 137 A Q E d 57 0A 54 -2,-0.4 -23,-0.2 -25,-0.2 -25,-0.0 -0.722 360.0 360.0 -75.4 136.2 -5.1 18.4 19.7 82 138 A E 0 0 130 -25,-1.4 -23,-0.4 -2,-0.4 -1,-0.1 -0.166 360.0 360.0-132.6 360.0 -1.5 18.0 20.9 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 84 151 A I >> 0 0 85 0, 0.0 3,-1.3 0, 0.0 4,-1.1 0.000 360.0 360.0 360.0 -67.7 6.0 24.7 9.3 85 152 A E H 3> + 0 0 99 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.627 360.0 60.0 -47.1 -32.2 7.1 28.0 7.7 86 153 A S H 3> S+ 0 0 83 2,-0.2 4,-5.8 3,-0.2 5,-0.3 0.979 109.0 43.8 -56.7 -59.5 9.0 26.3 4.9 87 154 A M H <> S+ 0 0 38 -3,-1.3 4,-4.9 2,-0.2 5,-0.3 0.966 115.2 48.0 -42.7 -69.8 5.7 24.6 3.8 88 155 A N H X S+ 0 0 2 -4,-1.1 4,-1.4 1,-0.2 -1,-0.2 0.732 121.2 37.8 -50.8 -28.2 3.8 27.8 4.2 89 156 A K H X S+ 0 0 113 -4,-2.1 4,-3.1 -3,-0.3 -1,-0.2 0.809 114.7 51.7 -95.0 -34.6 6.5 29.7 2.3 90 157 A E H X S+ 0 0 55 -4,-5.8 4,-2.3 -5,-0.2 -2,-0.2 0.941 114.6 47.0 -53.1 -45.3 7.1 26.9 -0.2 91 158 A L H X S+ 0 0 1 -4,-4.9 4,-2.9 -5,-0.3 -2,-0.2 0.952 111.2 50.3 -67.0 -44.9 3.3 27.1 -0.7 92 159 A K H X S+ 0 0 62 -4,-1.4 4,-2.6 -5,-0.3 -1,-0.2 0.914 108.4 53.3 -54.7 -44.1 3.5 30.9 -0.9 93 160 A K H X S+ 0 0 113 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.960 110.9 44.6 -57.7 -52.9 6.3 30.6 -3.6 94 161 A I H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.908 110.6 55.7 -59.5 -41.2 4.2 28.3 -5.7 95 162 A I H >X S+ 0 0 4 -4,-2.9 4,-1.4 1,-0.2 3,-0.6 0.923 108.6 47.5 -56.2 -45.6 1.2 30.5 -5.2 96 163 A G H 3< S+ 0 0 53 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.889 108.4 56.7 -58.8 -43.0 3.3 33.5 -6.6 97 164 A Q H 3< S+ 0 0 97 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.759 120.0 27.9 -58.0 -32.3 4.4 31.4 -9.5 98 165 A V H X< S+ 0 0 4 -4,-1.4 3,-1.4 -3,-0.6 4,-0.5 0.470 89.9 103.6-111.1 -4.9 0.8 30.7 -10.6 99 166 A R G >< S+ 0 0 59 -4,-1.4 3,-0.9 1,-0.3 -2,-0.1 0.797 75.9 58.4 -48.8 -39.6 -0.9 33.8 -9.3 100 167 A D G 3 S+ 0 0 130 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.791 100.9 54.3 -59.7 -36.9 -1.1 35.4 -12.8 101 168 A Q G < S+ 0 0 113 -3,-1.4 2,-0.4 7,-0.0 -1,-0.2 0.464 100.9 65.5 -88.0 -5.7 -3.2 32.6 -14.4 102 169 A A < - 0 0 11 -3,-0.9 3,-0.1 -4,-0.5 6,-0.0 -0.944 64.2-153.3-116.4 143.0 -6.0 32.6 -11.9 103 170 A E S S+ 0 0 149 -2,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.964 84.4 50.0 -65.9 -57.0 -8.4 35.5 -11.3 104 171 A H S >> S- 0 0 67 1,-0.1 3,-1.6 4,-0.0 4,-1.4 -0.656 77.6-133.4 -98.3 136.1 -9.0 34.5 -7.7 105 172 A L H 3> S+ 0 0 6 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.831 106.9 63.0 -44.8 -41.9 -6.5 33.8 -5.0 106 173 A K H 3> S+ 0 0 50 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.846 102.0 50.1 -61.0 -33.3 -8.4 30.7 -4.1 107 174 A T H <> S+ 0 0 29 -3,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.901 110.2 48.8 -69.1 -43.8 -7.8 29.2 -7.5 108 175 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.840 106.7 57.5 -61.3 -40.0 -4.1 29.9 -7.3 109 176 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.923 108.9 45.2 -55.9 -47.6 -4.1 28.3 -3.8 110 177 A Q H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.886 111.1 52.5 -70.5 -34.4 -5.5 25.0 -5.3 111 178 A M H X S+ 0 0 11 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.949 110.4 49.3 -61.3 -43.3 -3.1 25.1 -8.2 112 179 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.876 109.5 49.9 -63.0 -43.4 -0.3 25.5 -5.7 113 180 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.934 110.5 52.5 -61.1 -41.0 -1.6 22.6 -3.6 114 181 A F H X S+ 0 0 25 -4,-2.7 4,-1.8 2,-0.2 5,-0.2 0.951 111.9 44.1 -53.6 -51.2 -1.7 20.5 -6.9 115 182 A I H X S+ 0 0 32 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.937 114.2 50.6 -66.5 -44.3 1.9 21.3 -7.8 116 183 A H H < S+ 0 0 13 -4,-2.5 13,-0.6 1,-0.2 -1,-0.2 0.941 114.1 42.1 -56.9 -49.6 3.1 20.7 -4.2 117 184 A N H < S+ 0 0 5 -4,-2.7 13,-2.1 1,-0.2 14,-0.4 0.729 121.2 41.6 -72.0 -23.6 1.5 17.3 -3.8 118 185 A H H < S+ 0 0 71 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.635 83.4 117.3 -97.1 -18.0 2.4 16.1 -7.4 119 186 A K < - 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