==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 21-MAR-12 3VQB . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.WIELENS,D.K.CHALMERS,M.W.PARKER,M.J.SCANLON . 282 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13087.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 14.2 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 . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 38.3 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 1 0 0 0 0 1 2 0 1 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 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 PARALLEL BRIDGES PER LADDER . 0 2 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 . 2 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 0 101 0, 0.0 3,-1.0 0, 0.0 23,-0.4 0.000 360.0 360.0 360.0 -49.9 18.3 18.3 25.7 2 58 A P T 3 + 0 0 67 0, 0.0 23,-0.1 0, 0.0 137,-0.1 0.672 360.0 48.3 -67.8 -20.3 17.3 21.3 23.3 3 59 A G T 3 S+ 0 0 8 51,-0.1 52,-2.4 49,-0.0 53,-2.2 0.280 84.8 110.2-100.7 6.2 20.8 22.4 22.4 4 60 A I E < +a 56 0A 46 -3,-1.0 19,-1.6 51,-0.2 20,-0.4 -0.736 39.0 177.0-101.2 121.4 22.4 19.0 21.5 5 61 A W E -aB 57 22A 0 51,-3.0 53,-3.1 -2,-0.5 2,-0.5 -0.921 19.4-147.2-119.6 146.7 23.3 18.0 17.9 6 62 A Q E -aB 58 21A 44 15,-2.6 15,-2.8 -2,-0.3 2,-0.4 -0.957 14.4-156.4-113.5 124.4 24.9 14.9 16.5 7 63 A L E + B 0 20A 0 51,-2.8 2,-0.3 -2,-0.5 13,-0.2 -0.845 19.1 165.6-100.6 136.7 27.2 15.3 13.4 8 64 A D E - B 0 19A 59 11,-2.7 11,-3.1 -2,-0.4 2,-0.3 -0.965 23.3-139.9-143.8 161.7 27.8 12.3 11.0 9 65 A C E - B 0 18A 31 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.851 12.6-169.2-120.9 148.8 29.3 12.0 7.5 10 66 A T E - B 0 17A 17 7,-1.9 7,-3.5 -2,-0.3 2,-0.5 -0.995 14.8-139.8-140.1 153.8 28.2 9.7 4.8 11 67 A H E + B 0 16A 112 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.931 27.8 166.6-117.8 121.0 29.9 8.9 1.5 12 68 A L E > - B 0 15A 34 3,-2.7 3,-1.5 -2,-0.5 -2,-0.1 -0.996 65.7 -7.9-143.7 129.3 27.8 8.7 -1.6 13 69 A E T 3 S- 0 0 93 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.864 128.5 -56.9 53.5 36.3 28.8 8.6 -5.3 14 70 A G T 3 S+ 0 0 85 1,-0.3 2,-0.3 -3,-0.0 -1,-0.3 0.781 120.5 112.4 69.4 22.1 32.4 9.5 -4.2 15 71 A K E < -B 12 0A 87 -3,-1.5 -3,-2.7 20,-0.0 2,-0.5 -0.882 64.9-126.5-123.3 159.8 31.0 12.6 -2.5 16 72 A V E -BC 11 33A 5 17,-0.8 17,-3.0 -2,-0.3 2,-0.6 -0.932 15.2-164.3-113.8 125.7 30.7 13.4 1.2 17 73 A I E -BC 10 32A 2 -7,-3.5 -7,-1.9 -2,-0.5 2,-0.6 -0.909 9.1-152.5 -98.4 120.0 27.5 14.5 3.0 18 74 A L E -BC 9 31A 0 13,-2.6 13,-1.7 -2,-0.6 2,-0.4 -0.888 16.9-168.2 -91.8 124.9 27.8 16.1 6.3 19 75 A V E -BC 8 30A 7 -11,-3.1 -11,-2.7 -2,-0.6 2,-0.5 -0.942 11.0-168.0-112.7 124.2 24.6 15.5 8.4 20 76 A A E -BC 7 29A 0 9,-3.4 9,-2.0 -2,-0.4 2,-0.5 -0.974 10.4-163.9-107.6 127.9 23.7 17.3 11.7 21 77 A V E -BC 6 28A 28 -15,-2.8 -15,-2.6 -2,-0.5 2,-1.0 -0.945 20.3-136.8-109.7 131.3 20.8 15.7 13.7 22 78 A H E >>> -BC 5 27A 0 5,-3.2 4,-2.4 -2,-0.5 3,-1.1 -0.766 24.1-150.4 -83.1 106.9 19.0 17.6 16.4 23 79 A V T 345S+ 0 0 84 -19,-1.6 -1,-0.2 -2,-1.0 -18,-0.1 0.847 86.0 52.9 -55.6 -37.6 18.8 14.6 18.8 24 80 A A T 345S+ 0 0 42 -20,-0.4 -1,-0.2 -23,-0.4 -19,-0.1 0.753 124.8 21.7 -70.6 -28.5 15.6 15.5 20.7 25 81 A S T <45S- 0 0 5 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.603 95.0-119.9-112.6 -23.7 13.4 15.9 17.5 26 82 A G T <5 + 0 0 8 -4,-2.4 2,-0.2 1,-0.3 105,-0.1 0.475 59.7 152.4 88.3 1.5 15.0 14.0 14.6 27 83 A Y E < -C 22 0A 2 -5,-0.5 -5,-3.2 104,-0.3 2,-0.3 -0.458 27.7-154.4 -73.1 140.4 15.4 17.2 12.6 28 84 A I E -C 21 0A 6 -7,-0.2 2,-0.4 87,-0.2 -7,-0.2 -0.885 23.9-170.5-125.8 148.6 18.3 17.3 10.1 29 85 A E E +C 20 0A 13 -9,-2.0 -9,-3.4 -2,-0.3 2,-0.3 -0.981 24.9 170.4-123.1 136.1 20.6 19.8 8.4 30 86 A A E +C 19 0A 0 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.988 12.4 177.2-151.9 151.8 22.8 18.3 5.6 31 87 A E E -C 18 0A 21 -13,-1.7 -13,-2.6 -2,-0.3 2,-0.4 -0.978 31.7-121.7-155.6 139.2 25.1 19.5 2.9 32 88 A V E -C 17 0A 35 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.1 -0.721 40.0-170.3 -76.2 134.6 27.4 17.9 0.2 33 89 A I E -C 16 0A 11 -17,-3.0 -17,-0.8 -2,-0.4 3,-0.1 -0.957 33.3-114.3-128.3 155.4 30.9 19.3 0.9 34 90 A P S S- 0 0 110 0, 0.0 2,-0.3 0, 0.0 -18,-0.2 0.926 88.1 -31.8 -47.3 -60.1 34.2 19.0 -1.1 35 91 A A S S- 0 0 50 -20,-0.1 2,-2.4 -3,-0.1 5,-0.1 -0.939 72.3 -84.2-157.9 169.1 36.0 16.9 1.5 36 92 A E S S+ 0 0 52 -2,-0.3 2,-0.2 -3,-0.1 28,-0.1 -0.415 70.7 150.5 -79.0 62.2 36.1 16.4 5.3 37 93 A T > - 0 0 54 -2,-2.4 4,-2.0 1,-0.1 5,-0.2 -0.587 58.8-115.8 -92.6 164.3 38.6 19.3 5.9 38 94 A G H > S+ 0 0 11 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.887 116.3 51.3 -62.2 -41.3 38.7 21.5 9.1 39 95 A Q H > S+ 0 0 123 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.915 111.5 46.5 -66.1 -40.4 37.7 24.6 7.1 40 96 A E H > S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.872 115.1 46.9 -69.9 -36.7 34.7 22.9 5.5 41 97 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.923 111.3 50.4 -70.9 -44.3 33.6 21.5 8.9 42 98 A A H X S+ 0 0 11 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.949 111.2 50.2 -55.9 -49.3 34.1 24.8 10.7 43 99 A Y H X S+ 0 0 23 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.894 109.1 50.3 -62.7 -42.2 32.0 26.5 8.0 44 100 A F H X S+ 0 0 9 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.932 113.7 46.1 -58.4 -50.0 29.1 23.9 8.3 45 101 A L H X S+ 0 0 3 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.917 109.0 53.5 -60.9 -46.0 29.0 24.4 12.1 46 102 A L H X S+ 0 0 16 -4,-3.0 4,-1.0 2,-0.2 -1,-0.2 0.895 112.8 45.8 -57.2 -36.8 29.1 28.2 11.9 47 103 A K H >X S+ 0 0 25 -4,-1.8 4,-1.1 -5,-0.2 3,-0.6 0.946 113.3 48.1 -71.6 -49.2 26.1 28.0 9.6 48 104 A L H >X S+ 0 0 5 -4,-2.9 4,-2.3 1,-0.2 3,-0.9 0.947 112.7 48.8 -51.4 -54.6 24.2 25.5 11.7 49 105 A A H 3< S+ 0 0 2 -4,-3.3 5,-0.3 1,-0.2 -1,-0.2 0.674 106.8 55.8 -63.7 -22.1 24.9 27.5 14.9 50 106 A G H << S+ 0 0 1 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.681 115.6 38.9 -83.5 -20.3 23.7 30.8 13.2 51 107 A R H << S+ 0 0 17 -4,-1.1 -2,-0.2 -3,-0.9 -3,-0.1 0.784 124.5 26.7 -94.0 -38.2 20.4 29.2 12.4 52 108 A W S < S- 0 0 4 -4,-2.3 2,-1.3 -5,-0.2 -1,-0.2 -0.923 88.4-101.4-126.4 154.9 19.6 27.1 15.5 53 109 A P - 0 0 61 0, 0.0 2,-0.6 0, 0.0 -4,-0.1 -0.645 46.5-173.9 -83.3 100.3 20.7 27.5 19.2 54 110 A V + 0 0 13 -2,-1.3 -50,-0.2 -5,-0.3 3,-0.1 -0.804 20.0 161.4 -99.6 115.9 23.5 24.9 19.2 55 111 A K + 0 0 145 -52,-2.4 25,-2.8 -2,-0.6 2,-0.4 0.854 67.2 16.9-103.0 -36.8 25.0 24.3 22.7 56 112 A T E -ad 4 80A 13 -53,-2.2 -51,-3.0 23,-0.2 2,-0.5 -0.993 58.0-159.6-143.3 132.8 26.7 20.9 22.2 57 113 A V E -ad 5 81A 0 23,-2.4 25,-2.9 -2,-0.4 2,-0.5 -0.945 8.1-153.6-112.3 131.0 27.8 18.7 19.3 58 114 A H E -ad 6 82A 23 -53,-3.1 -51,-2.8 -2,-0.5 2,-0.2 -0.892 26.6-179.9 -95.6 127.5 28.5 15.0 19.5 59 115 A T E - d 0 83A 4 23,-2.2 25,-1.8 -2,-0.5 26,-0.3 -0.767 42.0-116.5-125.2 169.7 31.0 14.0 16.7 60 116 A D - 0 0 70 -2,-0.2 23,-0.1 23,-0.2 -52,-0.0 0.244 52.2-115.7 -87.9 11.0 32.7 10.8 15.6 61 117 A N + 0 0 85 1,-0.2 5,-0.1 21,-0.1 22,-0.1 0.629 56.8 164.0 59.7 18.1 36.2 12.2 16.5 62 118 A G >> - 0 0 22 1,-0.1 3,-1.9 3,-0.1 4,-1.0 -0.173 55.3-100.5 -54.5 160.2 37.4 12.3 12.9 63 119 A S H 3> S+ 0 0 101 1,-0.3 4,-0.8 2,-0.2 3,-0.3 0.779 121.1 65.2 -58.7 -34.3 40.5 14.3 12.1 64 120 A N H 34 S+ 0 0 5 1,-0.2 6,-0.3 2,-0.2 -1,-0.3 0.807 105.5 44.9 -50.0 -33.9 38.3 17.2 10.7 65 121 A F H <4 S+ 0 0 3 -3,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.611 107.5 54.9 -97.3 -19.0 36.9 17.7 14.2 66 122 A T H < S+ 0 0 86 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.525 84.1 112.9 -88.2 -7.4 40.2 17.6 16.2 67 123 A S S X S- 0 0 30 -4,-0.8 4,-1.8 1,-0.1 3,-0.2 -0.299 76.6-127.2 -56.6 150.1 41.6 20.3 14.0 68 124 A T H > S+ 0 0 114 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.803 108.9 66.2 -62.6 -33.5 42.3 23.7 15.7 69 125 A T H > S+ 0 0 50 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.914 106.5 39.0 -53.9 -45.8 40.2 25.3 12.9 70 126 A V H > S+ 0 0 0 -6,-0.3 4,-2.9 -3,-0.2 5,-0.2 0.906 113.9 54.2 -71.0 -44.0 37.0 23.5 14.1 71 127 A K H X S+ 0 0 111 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.939 110.0 49.5 -53.8 -45.9 37.9 24.0 17.8 72 128 A A H X S+ 0 0 59 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.820 109.7 49.0 -61.1 -40.6 38.2 27.8 17.0 73 129 A A H X S+ 0 0 21 -4,-1.3 4,-2.8 -5,-0.2 -1,-0.2 0.928 112.4 49.3 -67.3 -44.2 34.8 28.0 15.3 74 130 A C H X>S+ 0 0 2 -4,-2.9 5,-3.0 2,-0.2 4,-0.8 0.848 110.7 49.7 -61.6 -39.3 33.2 26.2 18.2 75 131 A D H ><5S+ 0 0 96 -4,-2.2 3,-0.7 -5,-0.2 -1,-0.2 0.939 111.9 48.4 -64.7 -48.1 34.8 28.6 20.7 76 132 A W H 3<5S+ 0 0 103 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.897 116.8 42.4 -59.6 -41.7 33.6 31.6 18.7 77 133 A A H 3<5S- 0 0 15 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.597 111.7-118.7 -81.9 -4.4 30.1 30.1 18.4 78 134 A G T <<5 + 0 0 57 -4,-0.8 2,-0.5 -3,-0.7 -3,-0.2 0.852 62.1 149.7 65.7 39.4 30.0 29.0 22.1 79 135 A I < - 0 0 8 -5,-3.0 2,-0.5 -6,-0.1 -1,-0.2 -0.893 42.2-141.1-104.5 125.5 29.6 25.3 21.2 80 136 A K E -d 56 0A 127 -25,-2.8 -23,-2.4 -2,-0.5 2,-0.5 -0.777 18.2-145.4 -79.3 120.1 30.9 22.5 23.4 81 137 A Q E -d 57 0A 26 -2,-0.5 2,-0.5 -25,-0.2 -23,-0.2 -0.782 13.9-170.5 -82.4 130.6 32.4 19.6 21.3 82 138 A E E > -d 58 0A 52 -25,-2.9 -23,-2.2 -2,-0.5 3,-0.6 -0.905 13.9-165.2-115.3 98.4 32.1 16.2 22.6 83 139 A D E 3 S+d 59 0A 47 -2,-0.5 -23,-0.2 1,-0.2 -25,-0.1 -0.729 71.5 0.8 -87.9 129.3 34.3 14.1 20.3 84 140 A G T 3 S+ 0 0 50 -25,-1.8 -1,-0.2 -2,-0.4 -24,-0.1 0.494 96.7 127.3 76.9 7.3 33.7 10.4 20.4 85 141 A I < 0 0 86 -3,-0.6 -1,-0.2 -26,-0.3 -3,-0.1 -0.855 360.0 360.0-101.6 117.8 30.9 10.5 23.1 86 142 A P 0 0 147 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.956 360.0 360.0 -77.4 360.0 27.6 8.7 22.4 87 ! 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 88 153 A S >> 0 0 140 0, 0.0 3,-1.0 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 3.1 20.8 4.6 11.3 89 154 A M H >> + 0 0 73 1,-0.2 4,-1.7 2,-0.2 3,-1.3 0.837 360.0 73.1 -54.7 -42.0 18.2 7.2 10.5 90 155 A N H 3> S+ 0 0 53 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.696 87.1 58.7 -40.9 -26.8 21.1 7.9 8.2 91 156 A K H <> S+ 0 0 149 -3,-1.0 4,-1.6 2,-0.2 -1,-0.3 0.862 103.4 49.9 -76.9 -36.3 20.1 4.8 6.2 92 157 A E H X S+ 0 0 8 -4,-2.7 4,-1.1 1,-0.3 3,-0.8 0.891 107.4 53.0 -58.0 -40.5 17.9 10.5 -1.6 98 163 A G H 3< S+ 0 0 48 -4,-1.9 4,-0.4 -3,-0.3 -1,-0.3 0.877 106.2 52.1 -62.7 -37.0 17.3 7.4 -3.8 99 164 A Q H 3< S+ 0 0 116 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.577 118.5 34.8 -81.7 -4.3 13.6 8.1 -4.3 100 165 A V H X< S+ 0 0 5 -4,-0.9 3,-2.5 -3,-0.8 4,-0.4 0.483 90.1 98.8-114.1 -4.9 14.2 11.8 -5.5 101 166 A R G >< S+ 0 0 65 -4,-1.1 3,-1.3 1,-0.3 -2,-0.1 0.810 77.0 56.5 -62.0 -34.0 17.4 11.1 -7.3 102 167 A D G 3 S+ 0 0 145 -4,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.361 100.1 59.4 -81.2 5.5 15.8 10.9 -10.7 103 168 A Q G < S+ 0 0 111 -3,-2.5 2,-0.4 1,-0.1 -1,-0.3 0.340 103.7 56.4-105.3 -2.4 14.2 14.4 -10.5 104 169 A A < - 0 0 12 -3,-1.3 -1,-0.1 -4,-0.4 6,-0.1 -0.998 65.0-150.6-131.9 139.1 17.5 16.1 -10.1 105 170 A E S S+ 0 0 166 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.916 84.1 52.4 -61.5 -42.7 20.6 16.1 -12.3 106 171 A H S >> S- 0 0 131 1,-0.1 4,-1.6 0, 0.0 3,-1.5 -0.775 75.1-132.4-115.4 137.0 23.0 16.6 -9.3 107 172 A L H 3> S+ 0 0 6 -2,-0.4 4,-2.5 1,-0.3 5,-0.2 0.873 105.2 61.1 -42.6 -50.5 23.5 14.9 -5.9 108 173 A K H 3> S+ 0 0 92 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.826 105.8 46.5 -56.5 -32.0 23.5 18.1 -4.0 109 174 A T H <> S+ 0 0 37 -3,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.880 110.2 52.6 -72.1 -38.9 19.9 18.9 -5.1 110 175 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.848 107.3 54.4 -64.4 -37.4 18.7 15.3 -4.3 111 176 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.956 109.2 46.5 -59.0 -51.1 20.2 15.8 -0.8 112 177 A Q H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.844 111.3 51.5 -63.6 -31.8 18.3 19.0 -0.2 113 178 A M H X S+ 0 0 10 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.890 110.4 49.0 -66.0 -43.7 15.1 17.3 -1.5 114 179 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.836 108.6 53.4 -63.1 -37.7 15.7 14.4 0.9 115 180 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.964 109.2 49.7 -59.2 -54.6 16.3 17.0 3.8 116 181 A F H X S+ 0 0 29 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.923 112.8 45.7 -48.4 -54.0 12.8 18.5 2.9 117 182 A I H >X S+ 0 0 56 -4,-2.2 4,-1.0 1,-0.2 3,-0.5 0.944 113.3 50.6 -58.2 -51.3 11.0 15.1 2.9 118 183 A H H >< S+ 0 0 2 -4,-2.5 3,-0.8 1,-0.2 13,-0.5 0.920 112.0 44.7 -46.7 -55.5 12.7 14.0 6.1 119 184 A N H 3< S+ 0 0 5 -4,-2.6 13,-2.0 1,-0.2 14,-0.3 0.635 116.8 46.6 -73.3 -18.5 11.8 17.2 8.1 120 185 A H H << S+ 0 0 87 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.473 84.8 113.5 -91.8 -13.0 8.2 17.2 6.8 121 186 A K << - 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