==== 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 05-FEB-10 3LPT . 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) . 8509.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 99 68.8 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 . 18 12.5 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 . 6 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.6 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 1 0 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 0 104 0, 0.0 86,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-175.4 23.2 12.3 -13.1 2 56 A C + 0 0 103 25,-0.0 0, 0.0 24,-0.0 0, 0.0 0.458 360.0 122.4-149.6 -5.0 20.4 11.2 -10.7 3 57 A S > - 0 0 47 1,-0.1 3,-1.4 2,-0.1 23,-0.5 -0.438 63.6-127.8 -63.9 139.7 21.6 10.7 -7.1 4 58 A P T 3 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 23,-0.1 0.535 102.4 57.6 -73.7 -6.3 19.5 13.0 -4.8 5 59 A G T 3 S+ 0 0 8 51,-0.1 53,-2.0 49,-0.0 52,-1.8 0.398 81.7 108.5-100.6 2.7 22.4 14.7 -3.1 6 60 A I E < +a 58 0A 5 -3,-1.4 19,-1.6 51,-0.2 20,-0.5 -0.706 41.4 175.9 -93.4 126.0 24.0 16.0 -6.3 7 61 A W E -aB 59 24A 1 51,-2.1 53,-3.0 -2,-0.5 2,-0.5 -0.926 20.9-145.3-124.1 148.8 24.0 19.7 -7.1 8 62 A Q E -aB 60 23A 9 15,-2.6 15,-3.0 -2,-0.3 2,-0.5 -0.972 17.5-167.4-113.3 130.1 25.5 21.7 -10.0 9 63 A L E + B 0 22A 1 51,-3.0 54,-0.3 -2,-0.5 53,-0.3 -0.963 17.4 150.0-127.7 118.8 26.8 25.2 -9.2 10 64 A D E - B 0 21A 18 11,-2.5 11,-3.5 -2,-0.5 2,-0.4 -0.895 34.3-128.4-137.7 164.6 27.8 27.9 -11.8 11 65 A X E - B 0 20A 23 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.938 20.8-171.0-113.2 141.9 28.0 31.6 -12.3 12 66 A T E - B 0 19A 14 7,-2.7 7,-3.2 -2,-0.4 2,-0.4 -0.861 17.7-128.1-119.2 166.2 26.6 33.5 -15.2 13 67 A H E + B 0 18A 105 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.913 30.5 162.1-115.1 139.7 26.9 37.1 -16.3 14 68 A L E > - B 0 17A 44 3,-2.6 3,-2.0 -2,-0.4 -2,-0.0 -0.918 68.6 -5.2-158.2 130.6 24.0 39.4 -17.1 15 69 A E T 3 S- 0 0 94 -2,-0.3 3,-0.1 1,-0.3 97,-0.1 0.848 128.6 -56.6 54.3 40.1 23.9 43.2 -17.3 16 70 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.707 120.3 113.0 63.1 19.0 27.5 43.5 -16.0 17 71 A K E < -B 14 0A 98 -3,-2.0 -3,-2.6 20,-0.0 2,-0.5 -0.808 65.5-122.9-120.2 164.9 26.3 41.5 -13.0 18 72 A V E -BC 13 35A 14 17,-0.8 17,-2.8 -2,-0.3 2,-0.5 -0.905 18.0-165.6-113.4 128.5 27.0 38.0 -11.7 19 73 A I E -BC 12 34A 0 -7,-3.2 -7,-2.7 -2,-0.5 2,-0.6 -0.960 10.3-149.6-115.9 122.3 24.3 35.4 -11.0 20 74 A L E -BC 11 33A 0 13,-3.3 13,-1.9 -2,-0.5 2,-0.5 -0.824 17.8-167.0 -88.6 124.8 25.1 32.3 -9.0 21 75 A V E -BC 10 32A 2 -11,-3.5 -11,-2.5 -2,-0.6 2,-0.5 -0.964 9.4-171.4-117.9 122.2 22.9 29.3 -10.2 22 76 A A E -BC 9 31A 0 9,-3.5 9,-2.2 -2,-0.5 2,-0.5 -0.952 8.6-165.9-108.2 129.8 22.6 26.0 -8.2 23 77 A V E -BC 8 30A 6 -15,-3.0 -15,-2.6 -2,-0.5 2,-0.9 -0.972 20.7-138.7-117.9 124.0 20.8 23.2 -10.0 24 78 A H E > -B 7 0A 0 5,-3.0 4,-3.1 -2,-0.5 5,-0.4 -0.746 22.7-152.5 -74.2 110.3 19.5 20.1 -8.2 25 79 A V T 4 S+ 0 0 20 -19,-1.6 -1,-0.2 -2,-0.9 -18,-0.1 0.905 86.3 50.1 -58.1 -49.1 20.5 17.6 -10.9 26 80 A A T 4 S+ 0 0 30 -20,-0.5 -1,-0.2 -23,-0.5 -19,-0.1 0.814 126.0 24.6 -60.9 -32.8 17.9 14.9 -10.3 27 81 A S T 4 S- 0 0 4 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.2 0.675 92.8-124.6-107.5 -23.8 14.9 17.3 -10.4 28 82 A G < + 0 0 10 -4,-3.1 -3,-0.1 1,-0.3 105,-0.1 0.429 58.1 152.3 83.2 -0.4 16.0 20.4 -12.4 29 83 A Y - 0 0 31 -5,-0.4 -5,-3.0 104,-0.3 2,-0.3 -0.414 28.3-155.8 -62.2 135.3 15.1 22.6 -9.4 30 84 A I E -C 23 0A 2 90,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.859 23.3-174.0-120.0 151.3 17.0 25.8 -9.2 31 85 A E E +C 22 0A 29 -9,-2.2 -9,-3.5 -2,-0.3 2,-0.3 -0.987 25.5 160.8-130.6 140.0 18.2 28.4 -6.7 32 86 A A E +C 21 0A 3 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.986 14.0 174.4-153.4 156.1 19.9 31.5 -7.9 33 87 A E E -C 20 0A 63 -13,-1.9 -13,-3.3 -2,-0.3 2,-0.4 -0.948 37.0-104.8-160.3 155.2 20.8 35.0 -7.0 34 88 A V E -C 19 0A 35 -2,-0.3 -15,-0.3 -15,-0.3 3,-0.1 -0.632 40.5-159.6 -68.0 127.0 22.7 38.0 -8.1 35 89 A I E -C 18 0A 6 -17,-2.8 -17,-0.8 -2,-0.4 3,-0.1 -0.867 25.8-120.8-110.1 150.7 25.9 38.2 -6.1 36 90 A P S S- 0 0 113 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.918 90.6 -12.9 -52.4 -48.0 28.0 41.4 -5.7 37 91 A A S S- 0 0 47 2,-0.1 2,-1.7 -20,-0.1 5,-0.2 -0.987 74.5 -95.0-153.8 160.5 31.1 39.7 -7.3 38 92 A E S S+ 0 0 81 -2,-0.3 2,-0.3 -3,-0.1 -27,-0.0 -0.576 71.5 136.7 -77.7 82.1 32.4 36.3 -8.3 39 93 A T > - 0 0 60 -2,-1.7 4,-2.1 1,-0.1 5,-0.2 -0.883 67.5-115.0-129.4 162.2 34.4 35.4 -5.2 40 94 A G H > S+ 0 0 19 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.837 115.5 58.4 -60.8 -36.9 35.1 32.5 -2.9 41 95 A Q H > S+ 0 0 144 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.953 108.9 44.4 -56.7 -52.6 33.4 34.3 -0.0 42 96 A E H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.872 116.0 46.9 -57.7 -44.2 30.1 34.6 -2.0 43 97 A T H X S+ 0 0 1 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.919 112.5 48.9 -66.5 -44.2 30.3 31.0 -3.2 44 98 A A H X S+ 0 0 6 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.906 112.5 49.1 -64.9 -40.7 31.1 29.6 0.3 45 99 A Y H X S+ 0 0 147 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.921 110.8 49.4 -63.8 -47.4 28.2 31.6 1.7 46 100 A F H X S+ 0 0 2 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.925 111.2 50.9 -56.0 -45.7 25.8 30.4 -1.0 47 101 A L H X S+ 0 0 1 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.899 108.6 49.6 -61.0 -47.1 26.9 26.8 -0.3 48 102 A L H X S+ 0 0 72 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.901 113.0 48.5 -56.8 -43.5 26.3 27.0 3.5 49 103 A K H X S+ 0 0 34 -4,-2.1 4,-0.7 2,-0.2 3,-0.5 0.952 113.6 46.5 -62.1 -49.7 22.9 28.4 2.8 50 104 A L H >X S+ 0 0 2 -4,-3.0 4,-2.4 1,-0.2 3,-1.3 0.927 110.1 52.7 -57.0 -47.7 22.1 25.7 0.3 51 105 A A H 3< S+ 0 0 26 -4,-3.1 5,-0.3 1,-0.3 -1,-0.2 0.757 105.5 54.8 -65.5 -24.5 23.4 22.9 2.6 52 106 A G H 3< S+ 0 0 64 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.648 115.0 40.5 -80.5 -14.8 21.2 24.1 5.5 53 107 A R H << S+ 0 0 157 -3,-1.3 -2,-0.2 -4,-0.7 -1,-0.1 0.786 123.0 25.4-104.1 -35.6 18.1 23.9 3.3 54 108 A W S < S- 0 0 44 -4,-2.4 2,-1.9 -5,-0.1 -1,-0.2 -0.868 86.8 -99.2-129.4 159.2 18.7 20.6 1.3 55 109 A P - 0 0 74 0, 0.0 2,-0.6 0, 0.0 -4,-0.1 -0.538 48.2-175.0 -80.8 83.2 20.7 17.4 1.9 56 110 A V + 0 0 14 -2,-1.9 -50,-0.1 -5,-0.3 -51,-0.1 -0.663 18.7 159.8 -84.5 113.8 23.7 18.4 -0.3 57 111 A K + 0 0 137 -52,-1.8 25,-2.7 -2,-0.6 2,-0.3 0.822 65.4 11.7 -98.2 -45.4 26.2 15.6 -0.6 58 112 A T E -ad 6 82A 17 -53,-2.0 -51,-2.1 23,-0.2 2,-0.4 -0.968 59.3-157.1-140.0 149.4 28.2 16.5 -3.7 59 113 A V E -ad 7 83A 0 23,-2.1 25,-2.4 -2,-0.3 2,-0.3 -0.997 6.6-168.5-129.6 132.1 28.6 19.6 -5.8 60 114 A H E -a 8 0A 16 -53,-3.0 -51,-3.0 -2,-0.4 2,-0.3 -0.809 6.2-173.7-109.6 158.1 29.8 19.7 -9.4 61 115 A T - 0 0 7 -2,-0.3 3,-0.2 23,-0.2 -51,-0.2 -0.969 32.0-135.4-142.1 159.9 30.7 22.8 -11.4 62 116 A D S S+ 0 0 78 -53,-0.3 2,-0.4 -2,-0.3 -52,-0.1 0.517 103.4 53.2 -89.4 -7.0 31.7 23.6 -15.0 63 117 A N > - 0 0 74 -54,-0.3 3,-2.5 1,-0.1 -1,-0.2 -0.820 68.8-172.3-127.5 92.6 34.5 25.9 -13.7 64 118 A G G > S+ 0 0 44 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.791 81.8 67.5 -56.6 -33.3 36.6 23.8 -11.3 65 119 A S G > S+ 0 0 75 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.707 82.4 79.7 -63.7 -16.5 38.7 26.8 -10.3 66 120 A N G < S+ 0 0 22 -3,-2.5 -1,-0.3 1,-0.3 3,-0.3 0.740 95.1 47.0 -52.6 -27.7 35.5 28.1 -8.7 67 121 A F G < S+ 0 0 5 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.023 84.6 90.4-112.3 26.1 36.2 25.7 -5.8 68 122 A T < + 0 0 89 -3,-1.4 -1,-0.2 4,-0.1 -2,-0.1 0.696 58.2 107.0 -95.4 -21.6 39.9 26.4 -5.1 69 123 A S S > S- 0 0 38 -4,-0.3 4,-2.5 -3,-0.3 5,-0.2 -0.245 73.5-128.8 -63.9 148.0 39.5 29.1 -2.5 70 124 A T H > S+ 0 0 119 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.877 110.0 55.4 -58.7 -38.7 40.3 28.3 1.1 71 125 A T H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.918 108.2 46.0 -66.2 -44.6 36.9 29.8 2.0 72 126 A V H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.947 112.5 51.1 -60.8 -48.4 35.0 27.5 -0.3 73 127 A K H X S+ 0 0 118 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.871 109.5 51.0 -58.4 -39.2 36.9 24.5 0.9 74 128 A A H X S+ 0 0 49 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.910 109.4 49.9 -65.3 -43.3 36.1 25.4 4.5 75 129 A A H X S+ 0 0 6 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.919 113.3 45.9 -59.8 -43.0 32.4 25.7 3.8 76 130 A X H X>S+ 0 0 17 -4,-2.5 5,-2.8 2,-0.2 4,-1.0 0.896 113.8 50.1 -69.1 -38.8 32.4 22.4 2.1 77 131 A W H ><5S+ 0 0 198 -4,-2.4 3,-0.5 -5,-0.2 -2,-0.2 0.952 112.5 46.0 -60.6 -50.4 34.4 20.9 4.9 78 132 A W H 3<5S+ 0 0 187 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.915 118.5 40.9 -61.1 -45.4 32.1 22.3 7.6 79 133 A A H 3<5S- 0 0 32 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.536 111.6-117.5 -82.8 -8.3 28.9 21.2 5.8 80 134 A G T <<5 + 0 0 56 -4,-1.0 2,-0.4 -3,-0.5 -3,-0.2 0.862 58.8 155.8 75.3 38.0 30.3 17.8 4.7 81 135 A I < - 0 0 10 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.798 25.4-159.8-100.3 135.1 30.1 18.5 1.0 82 136 A K E -d 58 0A 159 -25,-2.7 -23,-2.1 -2,-0.4 2,-0.4 -0.788 25.8-105.6-109.2 156.6 32.3 16.7 -1.5 83 137 A Q E -d 59 0A 64 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.700 37.2-123.1 -79.7 131.6 33.2 17.6 -5.0 84 138 A E + 0 0 26 -25,-2.4 -23,-0.2 -2,-0.4 -1,-0.0 -0.602 35.6 168.5 -76.2 132.9 31.3 15.5 -7.6 85 139 A F + 0 0 171 -2,-0.3 -1,-0.1 -25,-0.1 -25,-0.0 0.312 61.6 83.5-124.8 1.3 33.6 13.6 -10.0 86 140 A G S S+ 0 0 52 1,-0.1 -2,-0.0 2,-0.1 -26,-0.0 0.464 79.3 73.9 -85.2 -4.6 31.0 11.3 -11.6 87 141 A I S S- 0 0 38 -86,-0.0 -1,-0.1 2,-0.0 2,-0.0 -0.961 77.9-149.2-108.9 116.6 29.9 14.0 -14.0 88 142 A P - 0 0 94 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.275 14.0-115.2 -77.6 167.8 32.4 14.6 -16.8 89 143 A Y 0 0 168 -2,-0.0 -27,-0.0 -27,-0.0 -2,-0.0 -0.928 360.0 360.0-105.8 128.8 33.1 17.9 -18.7 90 144 A N 0 0 186 -2,-0.5 0, 0.0 0, 0.0 0, 0.0 -0.947 360.0 360.0-140.1 360.0 32.3 18.0 -22.4 91 ! 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 92 152 A E 0 0 158 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -93.7 21.4 20.9 -19.5 93 153 A S > + 0 0 63 1,-0.1 4,-1.4 3,-0.1 5,-0.1 0.904 360.0 159.2 34.3 61.0 22.0 24.5 -20.5 94 154 A M H > + 0 0 32 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.808 66.5 66.3 -71.6 -30.8 20.0 25.9 -17.5 95 155 A N H > S+ 0 0 45 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.860 104.7 41.1 -59.2 -41.5 21.9 29.2 -17.9 96 156 A K H > S+ 0 0 160 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.891 117.6 48.2 -72.4 -41.2 20.3 29.9 -21.3 97 157 A E H X S+ 0 0 72 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.876 113.8 45.9 -66.4 -41.7 16.9 28.7 -20.2 98 158 A L H X S+ 0 0 7 -4,-3.4 4,-2.7 2,-0.2 -1,-0.2 0.882 112.6 50.9 -68.5 -39.2 17.0 30.7 -17.0 99 159 A K H X S+ 0 0 75 -4,-1.6 4,-2.3 -5,-0.3 -2,-0.2 0.826 106.5 56.3 -65.7 -33.0 18.3 33.8 -19.0 100 160 A K H X S+ 0 0 106 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.970 111.7 41.3 -59.4 -54.7 15.3 33.2 -21.3 101 161 A I H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.890 112.3 55.0 -60.9 -41.3 12.9 33.4 -18.4 102 162 A I H X S+ 0 0 3 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.909 108.4 49.5 -58.3 -42.4 14.8 36.4 -16.9 103 163 A G H < S+ 0 0 51 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.790 107.7 54.9 -65.7 -30.1 14.4 38.2 -20.2 104 164 A Q H < S+ 0 0 98 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.849 119.6 30.2 -70.1 -36.6 10.7 37.5 -20.2 105 165 A V H >< S+ 0 0 11 -4,-1.8 3,-1.7 1,-0.1 4,-0.4 0.404 87.6 108.3-103.8 -0.4 10.1 39.0 -16.8 106 166 A R G >< S+ 0 0 57 -4,-1.0 3,-1.1 1,-0.3 -1,-0.1 0.830 80.8 47.5 -48.0 -43.5 12.9 41.6 -16.9 107 167 A D G 3 S+ 0 0 141 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.679 94.4 76.0 -74.9 -18.4 10.4 44.6 -17.3 108 168 A Q G < S+ 0 0 142 -3,-1.7 2,-0.3 1,-0.1 -1,-0.2 0.565 106.6 30.7 -68.0 -7.2 8.3 43.3 -14.4 109 169 A A < - 0 0 19 -3,-1.1 -1,-0.1 -4,-0.4 6,-0.0 -0.994 67.1-140.0-150.0 151.5 10.9 44.7 -12.1 110 170 A E S S+ 0 0 152 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 0.931 87.3 59.5 -72.6 -49.7 13.5 47.5 -12.0 111 171 A H S >> S- 0 0 95 1,-0.1 4,-1.9 4,-0.0 3,-0.9 -0.659 75.2-137.7 -93.7 137.0 16.4 45.5 -10.4 112 172 A L H 3> S+ 0 0 4 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.852 103.5 62.1 -56.9 -35.9 17.9 42.4 -12.0 113 173 A K H 3> S+ 0 0 129 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.851 105.6 46.6 -61.8 -34.1 18.1 40.7 -8.6 114 174 A T H <> S+ 0 0 60 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.934 111.3 51.2 -70.2 -49.4 14.2 40.9 -8.4 115 175 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.866 106.9 55.0 -52.4 -41.4 13.9 39.6 -11.9 116 176 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.918 108.4 46.8 -63.8 -42.3 16.2 36.7 -11.1 117 177 A Q H X S+ 0 0 86 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.876 111.1 52.3 -68.7 -36.5 14.0 35.5 -8.2 118 178 A M H X S+ 0 0 61 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.922 110.6 48.4 -61.9 -43.0 10.9 35.9 -10.3 119 179 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.918 109.8 51.1 -64.5 -43.9 12.6 33.7 -13.0 120 180 A V H X S+ 0 0 13 -4,-2.6 4,-2.7 2,-0.2 -90,-0.2 0.922 111.0 49.8 -55.4 -44.0 13.6 31.1 -10.4 121 181 A F H X S+ 0 0 127 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.945 112.6 46.3 -60.9 -49.5 9.9 31.1 -9.2 122 182 A I H X S+ 0 0 48 -4,-2.5 4,-1.7 1,-0.2 3,-0.4 0.949 114.2 48.3 -60.9 -50.4 8.6 30.6 -12.7 123 183 A H H < S+ 0 0 30 -4,-3.1 10,-0.5 1,-0.2 -1,-0.2 0.921 113.7 45.9 -54.3 -48.2 11.1 27.9 -13.5 124 184 A N H < S+ 0 0 17 -4,-2.7 10,-2.7 -5,-0.2 11,-0.4 0.710 116.2 44.0 -73.2 -22.1 10.4 25.9 -10.3 125 185 A K H < S+ 0 0 130 -4,-1.6 2,-0.3 -3,-0.4 -1,-0.2 0.689 83.8 110.5 -96.8 -20.3 6.6 26.1 -10.5 126 186 A K < - 0 0 105 -4,-1.7 7,-0.5 -5,-0.2 2,-0.3 -0.370 62.8-137.7 -64.3 119.4 6.2 25.3 -14.2 127 187 A R B E 132 0B 171 -2,-0.3 5,-0.2 5,-0.2 4,-0.1 -0.605 360.0 360.0 -78.1 134.8 4.6 21.9 -14.8 128 188 A K 0 0 206 3,-1.2 -1,-0.1 -2,-0.3 4,-0.1 0.003 360.0 360.0-170.1 360.0 6.0 19.7 -17.6 129 ! 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 87 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 78.2 3.7 16.7 -15.5 131 194 A Y - 0 0 129 -4,-0.1 -3,-1.2 -3,-0.0 2,-0.1 -0.730 360.0-116.6 -99.7 154.0 5.3 17.7 -12.2 132 195 A S B > -E 127 0B 7 -2,-0.3 4,-2.7 -5,-0.2 3,-0.3 -0.476 28.0-111.8 -79.6 157.9 7.1 21.0 -11.5 133 196 A A H > S+ 0 0 2 -10,-0.5 4,-2.6 -7,-0.5 -104,-0.3 0.909 120.8 55.3 -53.9 -40.4 10.8 21.1 -10.6 134 197 A G H > S+ 0 0 23 -10,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.846 110.6 43.1 -62.5 -37.1 9.7 22.2 -7.1 135 198 A E H > S+ 0 0 81 -11,-0.4 4,-2.2 -3,-0.3 -1,-0.2 0.883 112.6 54.3 -74.4 -39.7 7.4 19.2 -6.7 136 199 A R H X S+ 0 0 80 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.900 105.9 51.3 -62.6 -44.7 10.0 16.9 -8.1 137 200 A I H X S+ 0 0 1 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.936 112.5 44.4 -61.9 -46.0 12.7 17.9 -5.7 138 201 A V H X S+ 0 0 83 -4,-1.3 4,-2.6 2,-0.2 5,-0.2 0.892 115.4 49.8 -67.2 -35.1 10.5 17.4 -2.6 139 202 A D H X S+ 0 0 81 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.958 113.3 45.5 -62.5 -50.9 9.3 14.1 -4.0 140 203 A I H X S+ 0 0 42 -4,-3.2 4,-1.5 1,-0.2 -2,-0.2 0.934 118.5 42.0 -59.2 -48.5 12.8 12.9 -4.7 141 204 A I H X S+ 0 0 20 -4,-2.9 4,-0.6 -5,-0.2 -1,-0.2 0.892 114.7 49.0 -69.2 -42.2 14.1 14.0 -1.3 142 205 A A H >X S+ 0 0 53 -4,-2.6 4,-1.3 -5,-0.2 3,-0.6 0.860 112.0 49.1 -66.5 -36.8 11.1 12.8 0.7 143 206 A T H 3< S+ 0 0 87 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.828 106.1 58.2 -67.8 -33.5 11.2 9.4 -1.0 144 207 A D H 3< S+ 0 0 109 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.602 104.4 51.8 -74.0 -12.6 15.0 9.2 -0.3 145 208 A I H << 0 0 133 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.2 0.838 360.0 360.0 -85.6 -40.1 14.3 9.6 3.5 146 209 A Q < 0 0 203 -4,-1.3 -1,-0.2 0, 0.0 -4,-0.0 -0.838 360.0 360.0-104.6 360.0 11.7 6.7 3.6