==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 06-FEB-10 3LPU . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR S.NICOLET,F.CHRIST,A.VOET,A.MARCHAND,S.V.STRELKOV,M.DE MAEYE . 144 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8510.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 1.4 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 . 7 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 55 A D 0 0 96 0, 0.0 86,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-147.3 23.5 12.6 -13.1 2 56 A C + 0 0 94 25,-0.0 22,-0.0 0, 0.0 0, 0.0 0.460 360.0 128.0-178.0 -3.5 20.7 11.7 -10.7 3 57 A S > - 0 0 44 1,-0.1 3,-1.2 2,-0.1 23,-0.4 -0.443 64.5-122.5 -56.4 143.7 21.7 10.9 -7.1 4 58 A P T 3 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 23,-0.1 0.587 104.7 56.5 -73.9 -12.9 19.5 13.3 -4.9 5 59 A G T 3 S+ 0 0 6 51,-0.1 52,-2.2 49,-0.0 53,-2.1 0.297 82.0 109.7 -99.6 9.2 22.4 15.0 -3.1 6 60 A I E < +a 58 0A 5 -3,-1.2 19,-1.4 51,-0.2 20,-0.5 -0.754 40.6 173.3 -93.7 125.7 24.1 16.2 -6.2 7 61 A W E -aB 59 24A 3 51,-2.4 53,-2.9 -2,-0.5 2,-0.4 -0.932 21.0-144.3-125.2 151.6 24.1 19.9 -7.1 8 62 A Q E -aB 60 23A 29 15,-2.5 15,-2.6 -2,-0.3 2,-0.5 -0.970 13.5-164.9-117.5 135.4 25.9 21.9 -9.8 9 63 A L E + B 0 22A 1 51,-2.9 53,-0.4 -2,-0.4 54,-0.3 -0.965 19.3 149.6-124.3 123.6 27.2 25.5 -9.2 10 64 A D E - B 0 21A 20 11,-2.4 11,-3.4 -2,-0.5 2,-0.4 -0.955 34.0-129.1-143.6 162.0 28.2 28.0 -11.9 11 65 A X E - B 0 20A 22 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.917 22.1-173.6-112.3 143.7 28.3 31.8 -12.4 12 66 A T E - B 0 19A 13 7,-2.6 7,-2.7 -2,-0.4 2,-0.4 -0.787 17.4-125.2-121.0 177.2 26.9 33.6 -15.4 13 67 A H E + B 0 18A 98 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.958 30.0 158.4-129.5 141.0 27.0 37.2 -16.5 14 68 A L E > S- B 0 17A 44 3,-1.9 3,-2.7 -2,-0.4 -2,-0.0 -0.926 70.8 -1.8-159.6 133.6 24.2 39.6 -17.4 15 69 A E T 3 S- 0 0 102 1,-0.3 3,-0.1 -2,-0.3 97,-0.1 0.817 128.1 -59.5 55.0 32.8 24.1 43.5 -17.5 16 70 A G T 3 S+ 0 0 84 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.588 116.6 115.1 73.8 8.7 27.7 43.5 -16.2 17 71 A K E < -B 14 0A 100 -3,-2.7 -3,-1.9 20,-0.0 2,-0.5 -0.701 65.1-120.7-112.2 163.2 26.6 41.6 -13.1 18 72 A V E -BC 13 35A 18 17,-0.8 17,-2.8 -2,-0.2 2,-0.5 -0.897 20.9-166.9-107.2 127.5 27.4 38.2 -11.8 19 73 A I E -BC 12 34A 1 -7,-2.7 -7,-2.6 -2,-0.5 2,-0.5 -0.956 10.3-150.1-115.0 119.7 24.7 35.6 -11.2 20 74 A L E -BC 11 33A 0 13,-3.0 13,-2.2 -2,-0.5 2,-0.5 -0.793 18.2-167.6 -86.6 125.8 25.5 32.4 -9.1 21 75 A V E -BC 10 32A 2 -11,-3.4 -11,-2.4 -2,-0.5 2,-0.4 -0.969 9.2-172.7-120.0 123.2 23.3 29.5 -10.3 22 76 A A E -BC 9 31A 0 9,-3.3 9,-2.4 -2,-0.5 2,-0.4 -0.962 6.9-165.5-114.0 134.2 22.9 26.2 -8.4 23 77 A V E -BC 8 30A 19 -15,-2.6 -15,-2.5 -2,-0.4 2,-1.0 -0.974 22.1-138.1-121.7 127.5 21.0 23.3 -10.0 24 78 A H E >>> -BC 7 29A 0 5,-2.9 4,-2.9 -2,-0.4 3,-0.9 -0.766 26.2-150.6 -78.5 106.0 19.7 20.3 -8.2 25 79 A V T 345S+ 0 0 40 -19,-1.4 -1,-0.2 -2,-1.0 -18,-0.1 0.845 85.6 51.8 -56.0 -43.0 20.7 17.9 -11.0 26 80 A A T 345S+ 0 0 31 -20,-0.5 -1,-0.3 -23,-0.4 -19,-0.1 0.814 124.5 24.1 -64.0 -32.0 18.0 15.2 -10.5 27 81 A S T <45S- 0 0 5 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.719 94.0-123.8-108.1 -28.2 15.0 17.6 -10.5 28 82 A G T <5 + 0 0 10 -4,-2.9 105,-0.1 1,-0.3 -3,-0.1 0.471 57.9 152.2 88.3 3.7 16.1 20.7 -12.5 29 83 A Y E < -C 24 0A 33 -5,-0.5 -5,-2.9 104,-0.3 2,-0.3 -0.444 28.3-156.1 -67.0 138.5 15.2 22.8 -9.5 30 84 A I E -C 23 0A 1 90,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.897 24.8-171.8-122.7 149.5 17.3 26.0 -9.3 31 85 A E E +C 22 0A 30 -9,-2.4 -9,-3.3 -2,-0.3 2,-0.3 -0.990 25.7 164.9-126.2 135.0 18.5 28.6 -6.8 32 86 A A E +C 21 0A 3 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.995 10.4 171.6-149.0 147.2 20.2 31.6 -8.2 33 87 A E E -C 20 0A 61 -13,-2.2 -13,-3.0 -2,-0.3 2,-0.2 -0.970 36.8-107.2-155.3 147.5 21.2 35.1 -7.1 34 88 A V E -C 19 0A 37 -2,-0.3 -15,-0.3 -15,-0.3 -2,-0.0 -0.528 38.3-164.7 -61.6 133.2 23.2 38.1 -8.2 35 89 A I E -C 18 0A 10 -17,-2.8 -17,-0.8 -2,-0.2 3,-0.1 -0.925 26.0-123.4-122.4 153.1 26.4 38.3 -6.2 36 90 A P S S+ 0 0 112 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.792 89.6 3.1 -71.6 -24.8 28.7 41.4 -6.1 37 91 A A S S- 0 0 42 2,-0.1 2,-2.0 -19,-0.1 5,-0.1 -0.986 73.4-109.4-158.3 151.4 31.8 39.7 -7.3 38 92 A E S S+ 0 0 77 -2,-0.3 2,-0.3 -3,-0.1 -27,-0.0 -0.514 70.3 135.3 -81.8 73.3 32.8 36.3 -8.6 39 93 A T > - 0 0 60 -2,-2.0 4,-1.8 1,-0.1 3,-0.2 -0.803 68.4-111.5-123.7 164.2 34.9 35.3 -5.6 40 94 A G H > S+ 0 0 20 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.856 114.2 56.7 -58.6 -40.3 35.5 32.4 -3.2 41 95 A Q H > S+ 0 0 140 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.887 107.6 48.6 -64.3 -36.7 33.9 34.1 -0.3 42 96 A E H > S+ 0 0 58 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.903 113.8 46.4 -65.7 -43.1 30.7 34.6 -2.2 43 97 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.906 112.8 50.3 -64.5 -42.8 30.7 31.0 -3.3 44 98 A A H X S+ 0 0 9 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.914 111.7 46.5 -63.4 -47.0 31.5 29.7 0.2 45 99 A Y H X S+ 0 0 151 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.908 112.1 51.7 -62.3 -43.2 28.7 31.8 1.8 46 100 A F H X S+ 0 0 3 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.911 108.7 51.1 -61.0 -41.7 26.2 30.6 -0.9 47 101 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.889 108.2 51.3 -63.5 -41.3 27.1 27.0 -0.3 48 102 A L H X S+ 0 0 72 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.916 112.3 47.2 -62.8 -42.5 26.6 27.3 3.5 49 103 A K H >X S+ 0 0 40 -4,-2.1 4,-0.7 1,-0.2 3,-0.5 0.948 113.9 47.7 -59.7 -50.8 23.2 28.8 2.8 50 104 A L H >X S+ 0 0 2 -4,-2.9 4,-2.1 1,-0.2 3,-1.2 0.915 109.0 53.3 -57.1 -45.4 22.3 26.1 0.3 51 105 A A H 3< S+ 0 0 27 -4,-2.8 5,-0.3 1,-0.3 -1,-0.2 0.730 104.8 54.7 -69.8 -22.8 23.5 23.3 2.6 52 106 A G H << S+ 0 0 65 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.658 114.1 42.0 -80.2 -15.2 21.2 24.4 5.5 53 107 A R H << S+ 0 0 153 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.1 0.773 123.4 21.2-103.2 -34.0 18.2 24.3 3.2 54 108 A W S < S- 0 0 50 -4,-2.1 2,-1.6 -49,-0.0 -1,-0.2 -0.908 87.6 -97.0-133.1 158.5 18.7 21.1 1.3 55 109 A P - 0 0 74 0, 0.0 2,-0.6 0, 0.0 -4,-0.1 -0.598 46.6-172.0 -80.0 91.1 20.7 17.9 1.9 56 110 A V + 0 0 14 -2,-1.6 -50,-0.1 -5,-0.3 3,-0.1 -0.738 18.9 160.5 -89.3 115.1 23.8 18.8 -0.2 57 111 A K + 0 0 131 -52,-2.2 25,-2.6 -2,-0.6 2,-0.3 0.836 64.9 8.2-100.6 -49.1 26.1 15.8 -0.6 58 112 A T E -ad 6 82A 14 -53,-2.1 -51,-2.4 23,-0.2 2,-0.4 -0.982 61.2-153.2-138.4 148.0 28.3 16.6 -3.6 59 113 A V E -ad 7 83A 1 23,-2.0 25,-2.4 -2,-0.3 2,-0.3 -0.973 8.1-171.7-123.7 137.7 28.8 19.6 -5.8 60 114 A H E -a 8 0A 20 -53,-2.9 -51,-2.9 -2,-0.4 2,-0.3 -0.753 5.0-177.0-114.7 166.8 29.9 19.8 -9.4 61 115 A T - 0 0 6 -2,-0.3 3,-0.2 -53,-0.2 -51,-0.2 -0.969 34.5-131.2-154.4 160.5 30.8 22.9 -11.5 62 116 A D S S+ 0 0 84 -53,-0.4 2,-0.4 -2,-0.3 -52,-0.1 0.401 104.2 54.8 -94.7 0.1 31.8 23.6 -15.1 63 117 A N > - 0 0 71 -54,-0.3 3,-2.4 1,-0.1 -1,-0.2 -0.824 68.8-171.6-131.6 93.9 34.7 25.8 -13.9 64 118 A G G > S+ 0 0 45 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.777 80.9 68.3 -62.2 -29.1 36.8 23.7 -11.5 65 119 A S G > S+ 0 0 73 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.706 81.3 79.9 -63.8 -17.0 38.9 26.5 -10.4 66 120 A N G < S+ 0 0 20 -3,-2.4 3,-0.3 1,-0.3 -1,-0.3 0.752 94.7 47.9 -54.8 -26.3 35.8 27.9 -8.7 67 121 A F G < S+ 0 0 6 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.152 85.9 87.0-109.3 19.3 36.5 25.4 -5.9 68 122 A T < + 0 0 89 -3,-1.6 -1,-0.2 4,-0.1 -2,-0.1 0.654 60.0 106.3 -94.5 -16.9 40.2 26.0 -5.2 69 123 A S S > S- 0 0 36 -4,-0.3 4,-2.4 -3,-0.3 5,-0.2 -0.323 73.6-128.3 -67.1 145.6 39.9 28.9 -2.7 70 124 A T H > S+ 0 0 115 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.864 108.7 55.2 -57.7 -37.5 40.6 28.2 0.9 71 125 A T H > S+ 0 0 51 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.912 108.3 47.0 -67.2 -39.9 37.3 29.8 1.9 72 126 A V H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.947 111.3 51.2 -65.4 -48.3 35.3 27.5 -0.4 73 127 A K H X S+ 0 0 117 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.876 108.7 52.4 -55.4 -37.5 37.1 24.4 0.8 74 128 A A H X S+ 0 0 48 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.876 108.7 50.6 -68.8 -35.5 36.4 25.5 4.4 75 129 A A H X S+ 0 0 6 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.909 111.7 45.5 -67.4 -42.4 32.7 25.8 3.6 76 130 A X H X>S+ 0 0 18 -4,-2.4 5,-2.8 2,-0.2 4,-0.7 0.902 114.2 51.8 -67.6 -38.1 32.5 22.3 2.0 77 131 A W H ><5S+ 0 0 198 -4,-2.3 3,-0.9 -5,-0.3 -2,-0.2 0.959 110.8 45.4 -60.6 -50.5 34.5 21.0 5.0 78 132 A W H 3<5S+ 0 0 189 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.923 118.6 41.8 -62.2 -41.8 32.2 22.5 7.6 79 133 A A H 3<5S- 0 0 32 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.471 112.0-117.3 -86.7 -1.1 29.0 21.4 5.8 80 134 A G T <<5 + 0 0 57 -3,-0.9 2,-0.4 -4,-0.7 -3,-0.2 0.846 59.3 156.0 68.9 36.0 30.4 17.9 5.0 81 135 A I < - 0 0 11 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.766 24.1-162.5 -96.6 135.7 30.2 18.5 1.2 82 136 A K E -d 58 0A 162 -25,-2.6 -23,-2.0 -2,-0.4 2,-0.2 -0.773 27.3-100.4-110.7 162.9 32.4 16.6 -1.2 83 137 A Q E -d 59 0A 69 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.578 39.1-118.0 -78.7 145.8 33.2 17.4 -4.9 84 138 A E + 0 0 28 -25,-2.4 -23,-0.2 -2,-0.2 3,-0.1 -0.698 32.3 175.1 -89.2 135.2 31.3 15.4 -7.4 85 139 A F + 0 0 176 -2,-0.4 -1,-0.1 1,-0.1 -25,-0.0 0.475 62.2 77.8-117.0 -6.3 33.3 13.1 -9.7 86 140 A G S S+ 0 0 47 1,-0.1 -1,-0.1 2,-0.1 -26,-0.0 0.357 76.0 79.2 -91.2 4.6 30.6 11.3 -11.7 87 141 A I S S- 0 0 36 -3,-0.1 -1,-0.1 -86,-0.0 -3,-0.0 -0.924 72.2-147.7-115.2 107.6 29.8 14.0 -14.2 88 142 A P - 0 0 96 0, 0.0 2,-0.8 0, 0.0 -2,-0.1 -0.315 20.2-112.7 -69.5 155.2 32.3 14.3 -17.1 89 143 A Y + 0 0 140 1,-0.0 -27,-0.0 2,-0.0 -2,-0.0 -0.814 37.0 177.8 -88.7 111.8 33.0 17.7 -18.7 90 144 A N 0 0 150 -2,-0.8 -1,-0.0 1,-0.1 0, 0.0 -0.736 360.0 360.0-119.7 85.0 31.7 17.6 -22.2 91 145 A P 0 0 137 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.720 360.0 360.0 -72.9 360.0 32.3 21.0 -24.0 92 ! 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 93 153 A S >> 0 0 118 0, 0.0 4,-1.9 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0 92.0 21.9 24.8 -20.3 94 154 A M H 3> + 0 0 60 1,-0.2 4,-4.9 2,-0.2 5,-0.4 0.884 360.0 69.2 -54.4 -40.7 20.0 26.4 -17.5 95 155 A N H 3> S+ 0 0 39 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.874 107.4 36.1 -48.1 -45.4 22.1 29.5 -17.8 96 156 A K H <> S+ 0 0 159 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.874 118.7 49.4 -78.8 -38.4 20.5 30.3 -21.1 97 157 A E H X S+ 0 0 61 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.930 114.3 46.8 -61.0 -45.2 17.0 29.0 -20.2 98 158 A L H X S+ 0 0 3 -4,-4.9 4,-2.9 1,-0.2 -2,-0.2 0.931 112.2 50.6 -62.8 -44.1 17.3 31.1 -17.0 99 159 A K H X S+ 0 0 67 -4,-2.0 4,-2.2 -5,-0.4 -1,-0.2 0.872 106.3 55.7 -61.9 -37.1 18.5 34.0 -19.1 100 160 A K H X S+ 0 0 113 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.977 110.8 43.7 -57.6 -54.1 15.5 33.6 -21.4 101 161 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.933 111.2 53.9 -57.8 -47.0 13.1 33.8 -18.4 102 162 A I H X S+ 0 0 2 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.891 108.2 51.1 -55.1 -40.0 15.0 36.8 -16.9 103 163 A G H >< S+ 0 0 53 -4,-2.2 3,-0.6 1,-0.2 4,-0.3 0.920 108.9 51.6 -62.4 -42.2 14.6 38.6 -20.3 104 164 A Q H 3< S+ 0 0 113 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.875 121.1 31.2 -63.5 -39.5 10.9 37.9 -20.3 105 165 A V H >< S+ 0 0 11 -4,-2.3 3,-1.6 1,-0.2 4,-0.3 0.333 88.2 110.2 -99.3 6.5 10.3 39.3 -16.8 106 166 A R G X< S+ 0 0 53 -4,-0.7 3,-0.8 -3,-0.6 -1,-0.2 0.784 76.8 47.6 -59.0 -33.6 13.1 41.9 -16.9 107 167 A D G 3 S+ 0 0 142 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.620 91.7 80.7 -84.7 -10.2 10.9 45.0 -17.1 108 168 A Q G < S+ 0 0 138 -3,-1.6 2,-0.3 -4,-0.0 -1,-0.2 0.556 102.9 31.6 -69.4 -6.2 8.7 43.8 -14.3 109 169 A A < - 0 0 19 -3,-0.8 -1,-0.0 -4,-0.3 6,-0.0 -0.991 69.1-135.8-149.4 155.7 11.4 45.1 -11.9 110 170 A E S S+ 0 0 150 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.960 87.7 56.4 -73.7 -54.0 13.9 47.8 -11.7 111 171 A H S >> S- 0 0 95 1,-0.1 4,-1.7 4,-0.0 3,-0.7 -0.607 74.8-135.7 -92.2 138.8 16.9 45.8 -10.4 112 172 A L H 3> S+ 0 0 5 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.875 104.7 62.5 -54.2 -38.9 18.4 42.7 -12.1 113 173 A K H 3> S+ 0 0 129 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.884 104.0 48.6 -59.2 -38.4 18.6 40.9 -8.7 114 174 A T H <> S+ 0 0 59 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.923 109.7 50.5 -64.7 -47.6 14.8 41.1 -8.4 115 175 A A H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.860 106.1 57.4 -59.4 -36.2 14.2 39.8 -11.9 116 176 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.947 107.4 46.5 -61.4 -45.6 16.5 36.9 -11.2 117 177 A Q H X S+ 0 0 88 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.902 111.6 52.3 -65.4 -39.3 14.4 35.9 -8.2 118 178 A M H X S+ 0 0 63 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.913 110.3 48.2 -57.6 -42.5 11.3 36.2 -10.4 119 179 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.889 109.4 52.1 -68.9 -35.6 12.8 34.0 -13.0 120 180 A V H X S+ 0 0 13 -4,-2.4 4,-2.6 2,-0.2 -90,-0.2 0.924 111.0 48.8 -62.3 -44.1 13.8 31.4 -10.4 121 181 A F H X S+ 0 0 131 -4,-2.3 4,-1.7 2,-0.2 5,-0.2 0.955 113.1 46.2 -58.1 -52.6 10.2 31.4 -9.2 122 182 A I H X S+ 0 0 54 -4,-2.5 4,-2.0 1,-0.2 3,-0.4 0.950 114.2 48.8 -58.0 -50.0 8.8 31.0 -12.7 123 183 A H H < S+ 0 0 27 -4,-2.9 10,-0.5 1,-0.2 -1,-0.2 0.911 111.4 47.6 -56.6 -49.0 11.3 28.3 -13.5 124 184 A N H < S+ 0 0 15 -4,-2.6 10,-2.7 1,-0.2 11,-0.4 0.750 117.8 40.5 -69.6 -25.0 10.7 26.2 -10.4 125 185 A K H < S+ 0 0 124 -4,-1.7 2,-0.2 -3,-0.4 -1,-0.2 0.700 83.6 110.3 -98.5 -19.8 6.9 26.3 -10.6 126 186 A K < - 0 0 91 -4,-2.0 7,-0.5 -5,-0.2 2,-0.3 -0.360 65.2-136.6 -59.4 119.1 6.4 25.9 -14.4 127 187 A R B E 132 0B 163 -2,-0.2 5,-0.2 5,-0.2 4,-0.1 -0.591 360.0 360.0 -82.2 138.8 4.9 22.4 -14.9 128 188 A K 0 0 198 3,-1.8 4,-0.2 -2,-0.3 -1,-0.1 0.280 360.0 360.0-162.5 360.0 6.3 20.2 -17.7 129 ! 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 0.0 130 193 A G 0 0 86 0, 0.0 2,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 78.4 4.1 16.6 -15.5 131 194 A Y - 0 0 124 -4,-0.1 -3,-1.8 -3,-0.1 2,-0.2 -0.462 360.0-113.8 -85.9 167.0 5.4 18.0 -12.2 132 195 A S B > -E 127 0B 7 -5,-0.2 4,-2.7 -4,-0.2 3,-0.3 -0.593 31.0-108.4 -89.8 163.3 7.3 21.2 -11.8 133 196 A A H > S+ 0 0 2 -7,-0.5 4,-2.6 -10,-0.5 -104,-0.3 0.902 121.7 56.8 -57.5 -37.7 11.0 21.2 -10.7 134 197 A G H > S+ 0 0 21 -10,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.852 110.0 42.9 -63.3 -36.7 9.8 22.5 -7.3 135 198 A E H > S+ 0 0 84 -11,-0.4 4,-2.2 -3,-0.3 -1,-0.2 0.867 112.1 55.1 -74.8 -39.0 7.5 19.5 -6.9 136 199 A R H X S+ 0 0 82 -4,-2.7 4,-3.5 1,-0.2 5,-0.2 0.929 105.0 51.7 -61.4 -47.2 10.1 17.1 -8.2 137 200 A I H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.932 112.1 44.4 -60.6 -44.7 12.8 18.1 -5.8 138 201 A V H X S+ 0 0 82 -4,-1.1 4,-2.7 -5,-0.2 5,-0.3 0.912 115.7 48.8 -69.1 -36.3 10.7 17.6 -2.7 139 202 A D H X S+ 0 0 80 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.956 112.6 48.1 -62.5 -49.2 9.3 14.3 -4.0 140 203 A I H X S+ 0 0 44 -4,-3.5 4,-2.1 1,-0.2 -2,-0.2 0.940 116.3 43.3 -56.3 -48.5 12.9 13.1 -4.8 141 204 A I H X S+ 0 0 20 -4,-2.8 4,-1.1 -5,-0.2 -1,-0.2 0.902 114.0 48.7 -66.3 -44.3 14.1 14.1 -1.4 142 205 A A H X S+ 0 0 55 -4,-2.7 4,-2.6 -5,-0.2 3,-0.5 0.915 111.5 49.8 -65.3 -44.4 11.2 12.8 0.7 143 206 A T H < S+ 0 0 85 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.952 108.9 53.4 -54.2 -49.6 11.3 9.5 -1.1 144 207 A D H < S+ 0 0 112 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.722 110.0 48.5 -63.4 -22.4 15.0 9.3 -0.4 145 208 A I H < 0 0 126 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.935 360.0 360.0 -78.3 -51.8 14.3 9.9 3.3 146 209 A Q < 0 0 209 -4,-2.6 -1,-0.3 -5,-0.1 -4,-0.0 -0.867 360.0 360.0-105.8 360.0 11.5 7.3 3.6