==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA INTEGRATION 21-NOV-94 1ITG . COMPND 2 MOLECULE: HIV-1 INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR F.DYDA,A.B.HICKMAN,T.M.JENKINS,A.ENGELMAN,R.CRAIGIE,D.R.DAVI . 142 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7733.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 70.4 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 . 17 12.0 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 . 1 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 . 10 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 35.9 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+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 1 0 0 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 . 0 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 0 119 0, 0.0 25,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -64.3 18.7 12.4 -13.6 2 56 A C - 0 0 58 1,-0.2 84,-0.1 4,-0.1 83,-0.0 -0.426 360.0 -48.7-113.5-172.0 21.4 11.9 -11.0 3 57 A S > - 0 0 63 82,-0.2 3,-2.0 -2,-0.1 23,-0.3 -0.279 55.6-114.8 -59.2 145.2 21.6 11.2 -7.3 4 58 A P T 3 S+ 0 0 23 0, 0.0 139,-0.2 0, 0.0 -1,-0.1 0.584 112.7 57.5 -59.1 -13.5 19.4 13.5 -5.1 5 59 A G T 3 S+ 0 0 3 137,-0.1 53,-1.9 51,-0.1 52,-1.8 0.307 83.0 108.0-102.4 9.7 22.4 15.0 -3.4 6 60 A I E < +a 58 0A 3 -3,-2.0 19,-0.6 51,-0.2 20,-0.5 -0.762 42.5 175.6 -95.2 132.3 24.0 16.3 -6.6 7 61 A W E -aB 59 24A 0 51,-2.0 53,-2.5 -2,-0.4 2,-0.4 -0.922 22.1-145.4-131.6 154.6 24.1 20.0 -7.5 8 62 A Q E -aB 60 23A 26 15,-2.3 15,-2.7 -2,-0.3 2,-0.4 -0.967 19.1-171.7-118.9 134.9 25.6 22.1 -10.3 9 63 A L E + B 0 22A 2 51,-2.8 2,-0.3 -2,-0.4 53,-0.3 -0.969 15.1 149.0-137.9 120.9 26.8 25.6 -9.4 10 64 A D E - B 0 21A 21 11,-2.1 11,-2.9 -2,-0.4 2,-0.4 -0.916 38.0-116.6-142.2 166.5 28.0 28.3 -11.8 11 65 A C E - B 0 20A 25 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.906 23.0-167.5-111.5 137.2 28.2 32.1 -12.2 12 66 A T E - B 0 19A 22 7,-3.0 7,-3.1 -2,-0.4 2,-0.4 -0.790 13.8-137.0-115.5 157.7 26.4 34.0 -14.9 13 67 A H E + B 0 18A 104 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.960 28.7 159.9-120.9 137.9 26.9 37.6 -15.8 14 68 A L E > - B 0 17A 39 3,-2.6 3,-1.0 -2,-0.4 -2,-0.0 -0.955 66.8 -4.3-156.8 136.4 24.2 40.1 -16.5 15 69 A E T 3 S- 0 0 105 -2,-0.3 2,-1.2 1,-0.3 3,-0.1 0.870 125.7 -61.0 45.9 45.7 24.1 43.9 -16.5 16 70 A G T 3 S+ 0 0 76 1,-0.2 -1,-0.3 0, 0.0 0, 0.0 -0.105 120.2 103.4 78.7 -39.6 27.6 44.0 -15.2 17 71 A K E < S-B 14 0A 108 -2,-1.2 -3,-2.6 -3,-1.0 2,-0.4 -0.098 71.0-119.8 -70.9 169.1 26.5 42.1 -12.1 18 72 A V E -BC 13 35A 4 17,-2.2 17,-3.1 -5,-0.2 2,-0.5 -0.916 15.4-156.1-114.4 138.8 27.1 38.4 -11.3 19 73 A I E -BC 12 34A 3 -7,-3.1 -7,-3.0 -2,-0.4 2,-0.5 -0.973 9.1-149.2-117.4 116.7 24.3 35.9 -10.8 20 74 A L E -BC 11 33A 1 13,-3.5 13,-1.9 -2,-0.5 2,-0.5 -0.761 19.9-166.7 -84.5 127.1 25.2 32.8 -8.8 21 75 A V E -BC 10 32A 2 -11,-2.9 -11,-2.1 -2,-0.5 2,-0.5 -0.968 12.9-172.8-126.6 124.2 23.1 29.9 -10.0 22 76 A A E -BC 9 31A 0 9,-3.1 9,-2.1 -2,-0.5 2,-0.4 -0.940 7.2-169.1-114.4 129.8 22.6 26.5 -8.3 23 77 A V E -BC 8 30A 10 -15,-2.7 -15,-2.3 -2,-0.5 2,-1.4 -0.977 23.4-136.1-122.5 128.7 20.7 23.7 -10.1 24 78 A H E >>> -BC 7 29A 0 5,-2.9 4,-2.8 -2,-0.4 3,-2.4 -0.730 24.0-150.8 -82.8 97.2 19.5 20.5 -8.5 25 79 A V T 345S+ 0 0 28 -2,-1.4 -1,-0.2 -19,-0.6 -18,-0.1 0.784 87.4 49.9 -37.1 -48.4 20.6 18.2 -11.3 26 80 A A T 345S+ 0 0 17 -20,-0.5 -1,-0.3 -23,-0.3 -19,-0.1 0.594 124.3 25.0 -75.1 -12.3 17.9 15.5 -10.8 27 81 A S T <45S- 0 0 5 -3,-2.4 -2,-0.2 2,-0.1 -1,-0.2 0.606 93.7-122.3-124.3 -21.9 14.9 17.9 -10.6 28 82 A G T <5 + 0 0 9 -4,-2.8 2,-0.2 1,-0.3 102,-0.2 0.449 56.5 155.0 89.4 -0.6 15.8 21.0 -12.5 29 83 A Y E < -C 24 0A 29 -5,-0.6 -5,-2.9 101,-0.4 -1,-0.3 -0.434 27.5-155.8 -63.6 130.9 15.1 23.1 -9.4 30 84 A I E -C 23 0A 0 84,-0.2 2,-0.3 -7,-0.2 -7,-0.2 -0.796 16.9-175.9-112.2 152.2 17.0 26.4 -9.4 31 85 A E E +C 22 0A 19 -9,-2.1 -9,-3.1 -2,-0.3 2,-0.3 -0.979 18.0 180.0-143.9 127.1 18.2 28.6 -6.6 32 86 A A E -C 21 0A 4 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.918 19.1-173.3-135.7 164.5 19.9 31.9 -7.4 33 87 A E E -C 20 0A 69 -13,-1.9 -13,-3.5 -2,-0.3 2,-0.5 -0.982 22.4-133.8-153.5 137.2 21.5 35.0 -5.9 34 88 A V E +C 19 0A 24 -2,-0.3 -15,-0.2 -15,-0.3 3,-0.0 -0.856 33.5 177.8 -95.7 128.1 22.8 38.2 -7.5 35 89 A I E -C 18 0A 10 -17,-3.1 -17,-2.2 -2,-0.5 3,-0.1 -0.905 38.6-118.0-129.9 159.5 26.2 39.2 -6.2 36 90 A P S S- 0 0 101 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.922 89.1 -11.2 -61.9 -47.7 28.8 42.0 -6.8 37 91 A A S S- 0 0 48 -20,-0.1 2,-1.0 -19,-0.1 5,-0.2 -0.995 75.5 -90.7-157.0 153.9 31.6 39.8 -8.1 38 92 A E + 0 0 77 -2,-0.3 2,-0.3 -3,-0.1 3,-0.0 -0.521 60.6 153.4 -67.9 97.3 32.8 36.2 -8.3 39 93 A T > - 0 0 47 -2,-1.0 4,-2.1 1,-0.1 5,-0.2 -0.941 55.3-124.4-128.0 151.3 34.7 35.7 -5.1 40 94 A G H > S+ 0 0 12 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.849 113.0 61.8 -59.4 -32.3 35.4 32.5 -3.1 41 95 A Q H > S+ 0 0 122 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.948 107.4 42.0 -58.7 -48.8 33.9 34.3 -0.1 42 96 A E H > S+ 0 0 59 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.853 114.8 50.4 -67.9 -37.3 30.5 34.6 -1.9 43 97 A T H X S+ 0 0 7 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.922 111.1 49.4 -67.5 -41.7 30.6 31.1 -3.3 44 98 A A H X S+ 0 0 10 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.916 111.3 49.3 -62.3 -44.5 31.4 29.7 0.2 45 99 A Y H X S+ 0 0 139 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.911 111.8 48.5 -61.2 -45.5 28.5 31.7 1.7 46 100 A F H X S+ 0 0 8 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.895 109.2 52.9 -62.1 -44.3 26.1 30.5 -1.0 47 101 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.885 107.2 52.8 -59.1 -40.9 27.2 26.9 -0.5 48 102 A L H X S+ 0 0 73 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.902 109.5 47.3 -62.9 -43.9 26.5 27.1 3.3 49 103 A K H X S+ 0 0 62 -4,-1.8 4,-0.7 1,-0.2 -2,-0.2 0.912 112.9 49.1 -64.6 -41.8 23.0 28.4 2.8 50 104 A L H >X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 3,-0.7 0.894 110.0 52.9 -64.3 -39.7 22.3 25.6 0.2 51 105 A A H 3< S+ 0 0 25 -4,-2.4 5,-0.3 1,-0.2 -1,-0.2 0.818 106.1 51.0 -66.7 -34.6 23.7 23.0 2.6 52 106 A G H 3< S+ 0 0 77 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.618 116.5 43.0 -79.9 -8.6 21.5 24.0 5.5 53 107 A R H << S+ 0 0 131 -4,-0.7 -2,-0.2 -3,-0.7 -1,-0.1 0.809 121.5 21.8-102.3 -43.9 18.4 23.8 3.3 54 108 A W S < S- 0 0 44 -4,-2.5 2,-1.8 -5,-0.1 -1,-0.2 -0.813 89.1 -96.0-124.5 164.8 18.9 20.6 1.2 55 109 A P - 0 0 48 0, 0.0 2,-0.7 0, 0.0 -4,-0.1 -0.606 50.1-172.5 -82.5 81.4 21.0 17.5 1.7 56 110 A V + 0 0 11 -2,-1.8 -50,-0.1 -5,-0.3 3,-0.1 -0.697 21.3 156.4 -82.4 115.2 23.9 18.6 -0.4 57 111 A K + 0 0 133 -52,-1.8 25,-3.0 -2,-0.7 2,-0.3 0.837 64.8 14.3-102.0 -49.8 26.5 15.9 -0.9 58 112 A T E -ad 6 82A 13 -53,-1.9 -51,-2.0 23,-0.2 2,-0.4 -0.973 58.2-164.1-133.4 144.5 28.4 16.8 -4.1 59 113 A V E -ad 7 83A 0 23,-1.7 25,-1.5 -2,-0.3 2,-0.3 -0.991 7.1-168.5-127.9 136.1 28.6 20.0 -6.1 60 114 A H E -a 8 0A 49 -53,-2.5 -51,-2.8 -2,-0.4 2,-0.3 -0.845 3.7-173.8-120.1 157.5 29.9 20.2 -9.7 61 115 A T - 0 0 7 -2,-0.3 3,-0.2 -53,-0.2 -51,-0.1 -0.889 32.6-129.8-143.5 167.6 30.8 23.3 -11.7 62 116 A D S S+ 0 0 129 -53,-0.3 2,-0.3 -2,-0.3 -52,-0.1 0.293 104.0 51.2-101.0 2.9 31.9 24.0 -15.3 63 117 A N > - 0 0 77 1,-0.1 3,-2.1 0, 0.0 -1,-0.2 -0.810 68.5-168.0-142.5 93.3 34.8 26.1 -14.1 64 118 A G G > S+ 0 0 40 -2,-0.3 3,-2.3 1,-0.3 -1,-0.1 0.786 82.9 71.2 -53.6 -33.6 36.9 24.2 -11.5 65 119 A S G > S+ 0 0 75 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.697 81.9 79.2 -59.0 -15.8 38.8 27.3 -10.5 66 120 A N G < S+ 0 0 25 -3,-2.1 -1,-0.3 1,-0.3 3,-0.2 0.777 99.1 37.9 -61.3 -28.5 35.5 28.3 -8.9 67 121 A F G < S+ 0 0 5 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.080 87.2 94.5-114.3 24.4 36.3 26.0 -6.0 68 122 A T < + 0 0 91 -3,-1.2 -1,-0.1 4,-0.1 -2,-0.1 0.661 57.7 103.6 -91.0 -14.9 40.0 26.3 -5.4 69 123 A S S > S- 0 0 34 -4,-0.3 4,-2.4 -3,-0.2 5,-0.2 -0.287 75.1-129.3 -66.5 151.2 39.9 29.0 -2.7 70 124 A T H > S+ 0 0 116 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.825 110.2 62.8 -69.1 -28.3 40.5 28.0 0.9 71 125 A T H > S+ 0 0 56 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.940 108.0 40.2 -60.5 -48.3 37.3 29.9 1.7 72 126 A V H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 3,-0.3 0.961 114.6 51.3 -65.4 -52.3 35.3 27.5 -0.5 73 127 A K H X S+ 0 0 124 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.860 108.9 53.7 -53.0 -36.5 37.1 24.4 0.7 74 128 A A H X S+ 0 0 53 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.900 109.4 47.0 -66.9 -41.1 36.5 25.6 4.3 75 129 A A H X S+ 0 0 10 -4,-1.7 4,-2.4 -3,-0.3 -2,-0.2 0.923 113.8 47.9 -66.6 -45.0 32.7 25.8 3.6 76 130 A C H X>S+ 0 0 19 -4,-2.9 5,-2.7 1,-0.2 4,-1.1 0.905 111.1 51.3 -63.0 -42.1 32.7 22.4 1.9 77 131 A W H ><5S+ 0 0 206 -4,-2.6 3,-0.5 -5,-0.2 -2,-0.2 0.946 112.6 44.4 -59.8 -53.2 34.6 20.8 4.7 78 132 A W H 3<5S+ 0 0 185 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.931 118.2 43.1 -59.3 -47.6 32.4 22.1 7.5 79 133 A A H 3<5S- 0 0 31 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.560 110.9-118.7 -78.2 -7.7 29.1 21.3 5.7 80 134 A G T <<5 + 0 0 55 -4,-1.1 2,-0.4 -3,-0.5 -3,-0.2 0.910 60.4 149.8 72.3 43.3 30.4 17.9 4.5 81 135 A I < - 0 0 5 -5,-2.7 2,-0.3 -6,-0.1 -1,-0.2 -0.862 28.1-161.6-109.0 138.0 30.2 18.6 0.8 82 136 A K E -d 58 0A 156 -25,-3.0 -23,-1.7 -2,-0.4 3,-0.1 -0.788 22.9-103.3-114.2 163.8 32.6 16.9 -1.7 83 137 A Q E S+d 59 0A 103 -2,-0.3 3,-0.4 -25,-0.2 -23,-0.2 -0.348 74.3 32.3 -87.8 167.5 33.3 18.1 -5.2 84 138 A E S S- 0 0 54 -25,-1.5 -24,-0.2 1,-0.2 -1,-0.1 0.947 104.8 -59.8 54.4 84.0 32.3 16.8 -8.7 85 139 A F 0 0 89 -78,-0.3 -82,-0.2 1,-0.2 -1,-0.2 0.449 360.0 360.0 44.2 14.7 28.9 15.3 -9.4 86 140 A G 0 0 56 -3,-0.4 -1,-0.2 -27,-0.1 -4,-0.1 -0.375 360.0 360.0 -62.9 360.0 29.0 12.2 -7.0 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 88 154 A M > 0 0 93 0, 0.0 4,-3.0 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 20.4 19.0 26.1 -16.8 89 155 A N H > + 0 0 49 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.747 360.0 47.0 -42.2 -44.6 21.1 29.2 -17.2 90 156 A K H > S+ 0 0 181 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.941 116.6 43.6 -68.6 -45.2 20.0 30.1 -20.8 91 157 A E H > S+ 0 0 69 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.944 115.4 49.4 -62.1 -48.2 16.3 29.5 -20.1 92 158 A L H X S+ 0 0 4 -4,-3.0 4,-2.9 1,-0.3 -2,-0.2 0.915 109.2 52.1 -57.5 -45.7 16.6 31.4 -16.8 93 159 A K H X S+ 0 0 73 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.3 0.851 110.2 50.4 -60.1 -35.2 18.4 34.2 -18.6 94 160 A K H X S+ 0 0 106 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.957 110.4 47.1 -67.6 -51.8 15.5 34.3 -21.1 95 161 A I H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.903 111.4 52.5 -57.2 -42.7 12.8 34.4 -18.4 96 162 A I H X S+ 0 0 2 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.950 108.7 50.5 -57.9 -48.8 14.8 37.2 -16.7 97 163 A G H < S+ 0 0 53 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.885 111.9 48.2 -56.4 -39.7 14.8 39.1 -20.0 98 164 A Q H < S+ 0 0 120 -4,-2.4 3,-0.5 1,-0.2 4,-0.2 0.905 119.3 37.0 -68.0 -42.7 11.1 38.6 -20.3 99 165 A V H >X S+ 0 0 18 -4,-2.8 4,-1.6 1,-0.2 3,-0.8 0.611 86.8 98.1 -87.9 -12.9 10.3 39.8 -16.7 100 166 A R T 3< S+ 0 0 62 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.682 79.5 58.3 -49.3 -25.5 12.9 42.5 -16.4 101 167 A D T 34 S+ 0 0 156 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.934 107.2 44.2 -70.8 -49.2 10.3 45.2 -17.3 102 168 A Q T <4 S+ 0 0 155 -3,-0.8 2,-0.4 -4,-0.2 -2,-0.2 0.788 104.5 77.5 -66.2 -29.0 8.0 44.3 -14.4 103 169 A A < - 0 0 4 -4,-1.6 6,-0.0 1,-0.1 3,-0.0 -0.704 69.5-152.2 -87.9 132.3 11.0 44.1 -12.0 104 170 A E S S+ 0 0 78 -2,-0.4 2,-0.3 1,-0.0 -1,-0.1 0.582 80.6 22.9 -77.2 -12.8 12.6 47.3 -10.7 105 171 A H S > S- 0 0 118 1,-0.1 4,-2.1 0, 0.0 5,-0.2 -0.976 81.5-110.7-148.4 160.9 16.0 45.7 -10.3 106 172 A L H > S+ 0 0 6 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.930 115.7 60.1 -58.8 -45.6 18.0 42.8 -11.6 107 173 A K H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.889 108.2 43.5 -45.6 -54.0 17.7 41.1 -8.2 108 174 A T H > S+ 0 0 62 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 112.1 52.3 -61.0 -47.4 13.9 41.1 -8.4 109 175 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.896 109.7 50.5 -58.1 -41.0 13.9 39.9 -12.0 110 176 A V H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.925 112.3 45.7 -63.7 -45.4 16.2 37.0 -11.1 111 177 A Q H X S+ 0 0 76 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.783 112.4 51.7 -69.8 -27.4 14.0 36.0 -8.2 112 178 A M H X S+ 0 0 57 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.897 111.0 48.4 -72.8 -39.6 10.9 36.3 -10.4 113 179 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.860 111.0 49.9 -66.6 -38.5 12.6 34.1 -13.0 114 180 A V H X S+ 0 0 12 -4,-2.2 4,-2.9 2,-0.2 -84,-0.2 0.917 111.9 48.7 -65.3 -44.6 13.5 31.5 -10.4 115 181 A F H X S+ 0 0 124 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.964 114.2 45.7 -58.1 -54.6 9.9 31.5 -9.1 116 182 A I H X S+ 0 0 50 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.939 115.1 46.8 -55.0 -51.6 8.5 31.1 -12.7 117 183 A H H < S+ 0 0 27 -4,-2.8 13,-0.5 1,-0.2 -1,-0.2 0.909 114.6 45.7 -59.0 -47.1 11.0 28.4 -13.6 118 184 A N H < S+ 0 0 13 -4,-2.9 13,-2.3 1,-0.2 14,-0.4 0.752 117.2 45.2 -70.1 -25.4 10.5 26.4 -10.4 119 185 A K H < S+ 0 0 118 -4,-1.9 2,-0.5 -5,-0.2 -2,-0.2 0.718 81.4 108.3 -91.1 -25.0 6.7 26.7 -10.6 120 186 A K < - 0 0 114 -4,-2.1 10,-0.5 -5,-0.2 2,-0.2 -0.394 65.0-141.4 -59.3 109.1 6.2 25.9 -14.3 121 187 A R - 0 0 151 -2,-0.5 2,-0.9 8,-0.2 8,-0.3 -0.545 19.0-115.6 -74.0 135.4 4.6 22.4 -14.4 122 188 A K - 0 0 53 6,-2.5 2,-1.1 -2,-0.2 -1,-0.1 -0.637 27.3-130.6 -74.6 105.2 5.9 20.3 -17.3 123 189 A G S S+ 0 0 89 -2,-0.9 2,-0.3 4,-0.1 -1,-0.1 -0.410 74.0 56.7 -60.3 95.5 2.9 19.7 -19.5 124 190 A G S > S- 0 0 59 -2,-1.1 3,-1.3 0, 0.0 2,-0.4 -0.937 96.7 -9.3 176.4-154.1 3.0 16.0 -19.9 125 191 A I T 3 S+ 0 0 111 1,-0.3 3,-0.2 -2,-0.3 -3,-0.0 -0.573 133.4 2.4 -72.5 124.8 3.1 12.6 -18.1 126 192 A G T 3 S- 0 0 68 -2,-0.4 2,-1.9 1,-0.2 -1,-0.3 0.895 89.6-157.9 64.3 39.9 3.5 13.2 -14.4 127 193 A G < + 0 0 19 -3,-1.3 -1,-0.2 -6,-0.1 2,-0.2 -0.263 29.5 153.6 -56.1 78.1 3.4 16.9 -15.1 128 194 A Y - 0 0 110 -2,-1.9 -6,-2.5 -3,-0.2 2,-0.3 -0.552 42.0-117.2-102.3 168.0 5.2 18.2 -12.0 129 195 A S > - 0 0 9 -8,-0.3 4,-3.0 -2,-0.2 3,-0.3 -0.681 29.3-110.4-100.4 159.4 7.2 21.4 -11.5 130 196 A A H > S+ 0 0 1 -13,-0.5 4,-2.5 -10,-0.5 -101,-0.4 0.892 121.5 56.1 -56.1 -37.5 10.9 21.4 -10.7 131 197 A G H > S+ 0 0 18 -13,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.874 110.7 42.7 -62.3 -39.7 9.9 22.8 -7.3 132 198 A E H > S+ 0 0 62 -14,-0.4 4,-2.5 -3,-0.3 -2,-0.2 0.922 112.0 55.5 -71.7 -44.1 7.6 19.8 -6.7 133 199 A R H X S+ 0 0 79 -4,-3.0 4,-3.2 1,-0.2 5,-0.2 0.888 105.1 50.6 -56.7 -46.6 10.1 17.3 -8.1 134 200 A I H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.941 111.6 48.2 -60.3 -44.7 12.9 18.3 -5.7 135 201 A V H X S+ 0 0 84 -4,-1.2 4,-2.7 -5,-0.2 -2,-0.2 0.919 115.8 44.3 -61.2 -45.3 10.7 18.0 -2.7 136 202 A D H X S+ 0 0 85 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.972 112.4 51.3 -62.5 -55.3 9.4 14.6 -3.9 137 203 A I H <>S+ 0 0 40 -4,-3.2 5,-0.7 1,-0.2 6,-0.2 0.885 118.7 37.5 -48.8 -47.1 12.9 13.3 -4.8 138 204 A I H ><5S+ 0 0 29 -4,-2.6 3,-0.7 -5,-0.2 4,-0.3 0.859 108.4 64.2 -76.8 -33.7 14.3 14.3 -1.4 139 205 A A H 3<5S+ 0 0 62 -4,-2.7 2,-0.9 1,-0.3 -2,-0.2 0.827 87.1 71.5 -58.4 -34.7 11.1 13.2 0.4 140 206 A T T 3<5S- 0 0 95 -4,-1.9 -1,-0.3 1,-0.1 -2,-0.1 -0.007 117.6-111.3 -74.2 32.8 11.7 9.6 -0.6 141 207 A D T < 5S+ 0 0 154 -2,-0.9 -2,-0.2 -3,-0.7 -3,-0.1 0.685 82.3 129.1 43.3 28.2 14.6 9.7 1.9 142 208 A I < 0 0 56 -5,-0.7 -4,-0.2 -4,-0.3 -1,-0.1 0.958 360.0 360.0 -74.6 -55.9 17.0 9.5 -1.1 143 209 A Q 0 0 34 -6,-0.2 -1,-0.1 -139,-0.2 -87,-0.1 -0.562 360.0 360.0 -70.5 360.0 19.4 12.3 -0.4