==== 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 TRANSFERASE 01-SEP-99 1CZ9 . COMPND 2 MOLECULE: AVIAN SARCOMA VIRUS INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AVIAN SARCOMA VIRUS; . AUTHOR J.LUBKOWSKI,Z.DAUTER,F.YANG,J.ALEXANDRATOS,G.MERKEL,A.M.SKAL . 139 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7341.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 10.8 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 . 0 0.0 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 . 8 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 40.3 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 1 0 0 0 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 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 59 A Q 0 0 88 0, 0.0 57,-2.4 0, 0.0 58,-1.5 0.000 360.0 360.0 360.0 133.0 33.4 35.4 51.7 2 60 A I E -a 59 0A 71 56,-0.2 23,-2.7 55,-0.2 24,-0.4 -0.996 360.0-163.9-126.1 124.9 36.1 35.4 54.3 3 61 A W E -aB 60 24A 0 56,-2.4 58,-2.6 -2,-0.4 2,-0.4 -0.756 14.8-149.5-104.6 156.8 39.6 36.4 53.3 4 62 A Q E -aB 61 23A 6 19,-2.1 19,-2.6 -2,-0.3 2,-0.3 -0.990 23.7-174.3-118.8 133.8 43.0 36.1 54.9 5 63 A T E + B 0 22A 0 56,-2.4 58,-0.4 -2,-0.4 2,-0.3 -0.973 13.2 147.3-130.0 142.0 45.5 38.9 54.1 6 64 A N E - B 0 21A 10 15,-2.2 15,-2.9 -2,-0.3 2,-0.4 -0.928 38.5-113.5-151.9 176.6 49.2 39.4 54.8 7 65 A F E - B 0 20A 27 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.933 27.5-174.9-112.5 146.9 52.3 41.0 53.4 8 66 A T E - B 0 19A 13 11,-2.4 11,-2.9 -2,-0.4 2,-0.5 -0.996 24.8-121.1-141.5 140.9 55.4 38.9 52.3 9 67 A L E + B 0 18A 79 -2,-0.3 9,-0.2 9,-0.2 8,-0.1 -0.714 29.0 175.0 -89.1 127.1 58.8 40.1 51.1 10 68 A E > - 0 0 15 7,-3.0 3,-2.4 -2,-0.5 4,-0.1 -0.835 12.8-170.1-134.0 90.8 59.9 39.0 47.7 11 69 A P G > S+ 0 0 81 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.698 82.1 74.4 -58.3 -18.3 63.2 40.6 46.5 12 70 A R G 3 S+ 0 0 57 1,-0.3 110,-2.6 109,-0.2 108,-0.1 0.747 99.5 48.3 -63.4 -19.1 62.7 39.2 43.0 13 71 A M G X S+ 0 0 0 -3,-2.4 3,-0.7 108,-0.2 -1,-0.3 0.159 97.6 174.4-104.3 12.8 60.1 42.0 42.7 14 72 A A T < + 0 0 24 -3,-1.7 113,-0.1 1,-0.3 22,-0.1 -0.344 54.6 33.7 -66.7 151.6 62.2 44.9 44.1 15 73 A P T 3 S+ 0 0 89 0, 0.0 2,-1.8 0, 0.0 -1,-0.3 -0.962 135.3 35.4 -72.3 -24.8 62.0 47.8 44.5 16 74 A R S < S+ 0 0 124 -3,-0.7 20,-0.2 1,-0.2 19,-0.2 -0.470 80.2 143.3 -90.3 66.1 58.3 47.1 45.1 17 75 A S + 0 0 19 -2,-1.8 -7,-3.0 19,-0.2 2,-0.9 0.467 32.6 99.2 -90.6 -3.1 59.1 43.8 46.8 18 76 A W E -BC 9 35A 82 17,-2.3 17,-2.0 -3,-0.2 2,-0.6 -0.782 60.8-159.7 -87.4 109.8 56.4 43.9 49.5 19 77 A L E -BC 8 34A 0 -11,-2.9 -11,-2.4 -2,-0.9 2,-0.5 -0.827 7.7-151.7 -92.6 122.5 53.7 41.6 48.2 20 78 A A E -BC 7 33A 1 13,-2.4 13,-1.9 -2,-0.6 2,-0.4 -0.847 22.1-168.5 -89.7 126.0 50.2 42.1 49.7 21 79 A V E -BC 6 32A 0 -15,-2.9 -15,-2.2 -2,-0.5 2,-0.4 -0.983 13.0-176.8-126.2 125.8 48.5 38.7 49.4 22 80 A T E -BC 5 31A 0 9,-2.7 9,-2.4 -2,-0.4 2,-0.4 -0.978 5.1-166.7-118.1 138.1 44.9 37.8 50.0 23 81 A V E -BC 4 30A 4 -19,-2.6 -19,-2.1 -2,-0.4 2,-0.7 -0.986 20.5-135.4-117.5 131.6 43.4 34.4 49.8 24 82 A D E > -B 3 0A 8 5,-2.8 4,-2.7 -2,-0.4 -21,-0.2 -0.765 21.3-144.8 -77.6 119.5 39.7 33.8 49.7 25 83 A T T 4 S+ 0 0 38 -23,-2.7 -1,-0.2 -2,-0.7 -22,-0.1 0.865 90.2 44.6 -64.6 -37.7 39.2 31.0 52.2 26 84 A A T 4 S+ 0 0 92 -24,-0.4 -1,-0.2 1,-0.2 -23,-0.1 0.894 127.5 25.6 -77.6 -30.3 36.4 29.1 50.5 27 85 A S T 4 S- 0 0 73 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.636 91.9-133.2-102.8 -18.9 37.8 29.1 47.0 28 86 A S < + 0 0 63 -4,-2.7 -3,-0.1 1,-0.3 -2,-0.0 0.446 50.5 155.8 69.8 6.9 41.5 29.4 47.7 29 87 A A - 0 0 21 -5,-0.2 -5,-2.8 -6,-0.1 2,-0.4 -0.344 29.9-146.8 -58.8 143.0 41.7 32.2 45.0 30 88 A I E -C 23 0A 7 -7,-0.2 2,-0.4 105,-0.2 -7,-0.2 -0.883 16.7-167.5-116.3 144.6 44.5 34.6 45.5 31 89 A V E -C 22 0A 1 -9,-2.4 -9,-2.7 -2,-0.4 2,-0.4 -0.998 14.7-177.9-122.4 132.9 45.0 38.3 44.8 32 90 A V E +C 21 0A 10 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.999 6.1 176.9-134.7 138.7 48.5 39.8 45.0 33 91 A T E -C 20 0A 22 -13,-1.9 -13,-2.4 -2,-0.4 2,-0.3 -0.927 26.0-120.3-132.1 155.5 49.7 43.3 44.5 34 92 A Q E +C 19 0A 31 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.815 29.9 175.7-100.0 144.6 53.2 44.9 44.8 35 93 A H E -C 18 0A 13 -17,-2.0 -17,-2.3 -2,-0.3 3,-0.1 -0.973 33.4-140.3-144.5 151.6 54.1 47.7 47.2 36 94 A G S S+ 0 0 44 -2,-0.3 2,-0.3 -20,-0.2 -19,-0.2 0.759 89.4 14.3 -82.1 -25.1 57.3 49.6 48.1 37 95 A R S S- 0 0 178 -19,-0.1 2,-0.9 -21,-0.1 -1,-0.2 -0.991 78.1-110.5-148.9 147.3 56.5 49.7 51.9 38 96 A V + 0 0 46 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.779 58.2 144.1 -83.5 112.0 54.1 48.0 54.3 39 97 A T > - 0 0 37 -2,-0.9 4,-2.1 1,-0.1 5,-0.2 -0.911 63.8-105.6-140.3 164.7 51.7 50.8 55.3 40 98 A S H > S+ 0 0 23 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.920 122.6 50.3 -56.3 -46.1 48.0 51.1 56.2 41 99 A V H > S+ 0 0 68 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.889 106.3 55.4 -66.2 -36.3 47.4 52.8 52.8 42 100 A A H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.922 108.7 48.4 -57.9 -46.8 49.2 49.9 51.0 43 101 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.914 112.6 48.4 -56.4 -44.1 46.9 47.4 52.6 44 102 A Q H X S+ 0 0 16 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.917 110.9 49.6 -65.4 -45.7 43.8 49.6 51.6 45 103 A H H X S+ 0 0 116 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.917 111.7 50.6 -58.7 -41.9 45.0 49.9 48.0 46 104 A H H X S+ 0 0 1 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.943 111.2 46.4 -59.4 -50.3 45.5 46.1 47.9 47 105 A W H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.858 107.0 58.1 -66.0 -35.3 42.0 45.4 49.3 48 106 A A H X S+ 0 0 45 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.940 110.9 43.9 -57.0 -44.9 40.5 47.9 46.8 49 107 A T H X S+ 0 0 63 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.933 111.8 52.8 -61.9 -47.4 42.1 45.8 44.1 50 108 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.5 0.860 106.7 52.6 -60.3 -39.7 41.0 42.5 45.7 51 109 A I H X S+ 0 0 20 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.886 107.3 52.3 -62.8 -40.1 37.4 43.7 45.9 52 110 A A H < S+ 0 0 90 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.777 118.3 38.2 -64.5 -26.1 37.4 44.6 42.2 53 111 A V H < S+ 0 0 77 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.902 134.3 15.8 -89.2 -45.8 38.7 41.0 41.5 54 112 A L H < S- 0 0 39 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.2 0.533 104.3-110.0-108.7 -18.2 36.8 38.9 44.0 55 113 A G < - 0 0 30 -4,-1.8 -1,-0.3 -5,-0.5 -2,-0.1 -0.396 53.8 -45.1 100.7 175.4 33.9 41.0 45.2 56 114 A R - 0 0 149 -2,-0.1 2,-0.1 -4,-0.1 -5,-0.0 -0.697 61.6-143.0 -83.2 122.5 33.2 42.5 48.6 57 115 A P - 0 0 2 0, 0.0 -55,-0.2 0, 0.0 3,-0.1 -0.428 12.6-134.5 -81.1 160.7 34.0 40.0 51.5 58 116 A K S S+ 0 0 160 -57,-2.4 25,-2.6 1,-0.3 2,-0.3 0.805 86.9 3.3 -76.5 -33.9 32.0 39.7 54.7 59 117 A A E -ad 2 83A 18 -58,-1.5 -56,-2.4 23,-0.2 2,-0.4 -0.996 58.0-152.0-153.2 152.8 35.2 39.6 56.8 60 118 A I E -ad 3 84A 0 23,-2.3 25,-1.9 -2,-0.3 2,-0.5 -0.998 11.4-152.6-129.5 131.4 39.0 39.8 56.5 61 119 A K E +ad 4 85A 60 -58,-2.6 -56,-2.4 -2,-0.4 2,-0.3 -0.904 26.6 156.0-103.8 129.9 41.5 38.1 58.9 62 120 A T E - d 0 86A 1 23,-2.5 25,-1.4 -2,-0.5 -56,-0.1 -0.838 41.1 -98.1-134.7 177.9 44.9 39.6 59.4 63 121 A D E - d 0 87A 32 -58,-0.4 25,-0.2 -2,-0.3 -1,-0.1 -0.187 47.6 -95.0 -83.0-173.5 47.7 39.6 61.9 64 122 A N + 0 0 81 23,-1.0 5,-0.1 22,-0.1 24,-0.1 0.016 69.9 144.9 -99.4 26.8 48.1 42.5 64.4 65 123 A G >> - 0 0 24 1,-0.1 3,-2.2 3,-0.1 4,-1.5 -0.307 64.7-110.2 -58.0 146.0 50.7 44.4 62.3 66 124 A S H 3> S+ 0 0 97 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.817 117.3 62.9 -44.9 -40.7 50.4 48.2 62.6 67 125 A C H 34 S+ 0 0 10 1,-0.2 -1,-0.3 2,-0.2 -24,-0.1 0.711 112.5 36.9 -66.8 -18.5 49.1 48.4 59.0 68 126 A F H <4 S+ 0 0 5 -3,-2.2 -2,-0.2 5,-0.1 -1,-0.2 0.638 117.7 46.3-106.5 -25.3 46.1 46.4 60.1 69 127 A T H < S+ 0 0 70 -4,-1.5 -2,-0.2 -5,-0.1 -3,-0.2 0.445 86.2 117.4 -96.9 -2.6 45.4 47.7 63.5 70 128 A S S X S- 0 0 26 -4,-1.3 4,-2.7 -5,-0.2 5,-0.2 -0.184 76.0-118.3 -64.2 155.5 45.6 51.4 62.7 71 129 A K H > S+ 0 0 184 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.911 115.6 56.5 -55.1 -42.1 42.8 53.9 63.0 72 130 A S H > S+ 0 0 57 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.937 109.7 42.0 -57.2 -47.5 43.1 54.4 59.3 73 131 A T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.892 111.8 55.3 -70.7 -39.6 42.6 50.8 58.4 74 132 A R H X S+ 0 0 187 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.931 112.0 44.7 -53.3 -46.1 39.8 50.4 61.0 75 133 A E H X S+ 0 0 118 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.889 110.1 53.3 -67.6 -40.3 38.0 53.2 59.3 76 134 A W H X S+ 0 0 14 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.935 111.6 46.1 -60.5 -46.9 38.6 52.0 55.8 77 135 A L H X>S+ 0 0 3 -4,-2.6 5,-2.5 1,-0.2 4,-0.7 0.905 112.7 50.2 -64.0 -40.5 37.2 48.6 56.6 78 136 A A H ><5S+ 0 0 64 -4,-2.0 3,-1.0 -5,-0.3 -2,-0.2 0.920 105.8 56.0 -63.0 -41.9 34.2 50.2 58.4 79 137 A R H 3<5S+ 0 0 165 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.863 112.6 43.3 -56.8 -36.4 33.5 52.5 55.4 80 138 A W H 3<5S- 0 0 74 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.536 111.8-121.6 -85.5 -7.8 33.3 49.3 53.3 81 139 A G T <<5 + 0 0 59 -3,-1.0 2,-0.5 -4,-0.7 -3,-0.2 0.844 62.0 146.3 66.3 32.7 31.2 47.4 55.9 82 140 A I < - 0 0 8 -5,-2.5 -1,-0.2 -6,-0.1 -23,-0.2 -0.917 44.7-133.4-106.1 124.7 33.8 44.6 56.1 83 141 A A E -d 59 0A 57 -25,-2.6 -23,-2.3 -2,-0.5 2,-0.4 -0.364 21.8-154.7 -74.4 155.0 34.3 42.9 59.4 84 142 A H E -d 60 0A 55 -25,-0.2 2,-0.4 -2,-0.1 -23,-0.2 -0.998 14.5-175.2-135.1 132.8 37.9 42.4 60.6 85 143 A T E -d 61 0A 75 -25,-1.9 -23,-2.5 -2,-0.4 2,-0.4 -0.956 11.0-163.7-124.5 145.6 39.6 39.9 63.0 86 144 A T E +d 62 0A 75 -2,-0.4 -23,-0.2 -25,-0.2 2,-0.2 -0.961 11.7 167.5-126.3 148.3 43.2 40.0 64.0 87 145 A G E -d 63 0A 21 -25,-1.4 -23,-1.0 -2,-0.4 3,-0.1 -0.821 45.4 -66.0-143.6-176.5 45.6 37.5 65.6 88 146 A I S > S- 0 0 112 -2,-0.2 3,-2.1 -25,-0.2 -1,-0.1 -0.367 72.0 -77.4 -72.6 156.4 49.3 37.1 66.3 89 147 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 -0.311 118.4 11.6 -57.2 135.7 51.5 36.8 63.3 90 148 A G T 3 S+ 0 0 32 1,-0.2 5,-0.1 -3,-0.1 -2,-0.1 0.496 81.1 161.6 80.3 2.1 51.3 33.3 61.9 91 149 A N <> - 0 0 37 -3,-2.1 4,-1.7 1,-0.1 5,-0.4 -0.298 38.0-135.2 -58.6 139.2 48.3 32.2 63.9 92 150 A S H > S+ 0 0 84 3,-0.2 4,-2.0 1,-0.2 5,-0.5 0.953 94.5 52.0 -64.7 -54.0 46.8 29.1 62.1 93 151 A Q H 4 S+ 0 0 162 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.804 125.7 24.9 -52.1 -35.3 43.1 29.8 62.1 94 152 A G H 4 S+ 0 0 5 -3,-0.3 -1,-0.2 2,-0.0 -89,-0.2 0.548 135.9 23.7-115.5 -6.8 43.5 33.2 60.6 95 153 A Q H X S+ 0 0 0 -4,-1.7 4,-2.3 -3,-0.3 -3,-0.2 0.466 89.9 90.0-137.3 -12.9 46.8 33.1 58.7 96 154 A A H X S+ 0 0 39 -4,-2.0 4,-2.1 -5,-0.4 5,-0.1 0.894 92.6 48.5 -62.5 -38.3 47.8 29.5 57.7 97 155 A M H > S+ 0 0 65 -5,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.925 113.3 46.2 -68.3 -41.4 46.0 29.6 54.4 98 156 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.862 110.1 54.6 -69.4 -33.8 47.5 33.0 53.4 99 157 A E H X S+ 0 0 58 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.922 108.1 49.4 -64.9 -40.4 51.0 31.7 54.5 100 158 A R H X S+ 0 0 142 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.933 109.6 51.7 -58.2 -45.5 50.5 28.7 52.1 101 159 A A H X S+ 0 0 2 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.901 106.3 55.0 -58.7 -39.4 49.5 31.2 49.4 102 160 A N H X S+ 0 0 14 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.941 110.9 44.7 -55.4 -49.1 52.8 33.1 50.1 103 161 A R H X S+ 0 0 153 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.932 113.6 48.9 -64.7 -44.6 54.8 30.0 49.6 104 162 A L H X S+ 0 0 64 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.907 113.7 47.8 -61.3 -40.8 52.9 29.0 46.4 105 163 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.2 5,-0.2 0.911 110.7 49.4 -65.5 -49.7 53.3 32.5 45.0 106 164 A K H X S+ 0 0 70 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.915 112.5 48.2 -60.5 -40.0 57.0 32.7 45.8 107 165 A D H X S+ 0 0 84 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.933 113.5 47.7 -63.5 -44.6 57.7 29.3 44.2 108 166 A K H X S+ 0 0 65 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.921 110.6 50.7 -63.2 -44.9 55.7 30.3 41.1 109 167 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.936 111.9 48.7 -57.6 -47.3 57.4 33.6 40.8 110 168 A R H X S+ 0 0 82 -4,-2.2 4,-2.9 -5,-0.2 5,-0.3 0.939 112.1 47.5 -57.7 -49.4 60.8 31.9 41.0 111 169 A V H X S+ 0 0 63 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.929 115.4 44.9 -62.9 -44.7 59.9 29.3 38.4 112 170 A L H X S+ 0 0 32 -4,-2.8 4,-1.6 -5,-0.2 -1,-0.2 0.938 115.4 47.8 -63.3 -45.5 58.5 31.9 35.9 113 171 A A H <>S+ 0 0 0 -4,-2.7 5,-2.9 -5,-0.3 3,-0.4 0.948 113.4 45.8 -62.2 -47.7 61.4 34.2 36.4 114 172 A E H ><5S+ 0 0 68 -4,-2.9 3,-1.6 1,-0.2 -1,-0.2 0.883 108.7 58.0 -64.5 -35.3 64.1 31.5 36.0 115 173 A G H 3<5S+ 0 0 65 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.866 106.5 49.5 -61.8 -33.9 62.2 30.3 33.0 116 174 A D T 3<5S- 0 0 91 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.364 127.4 -99.8 -85.3 3.9 62.6 33.8 31.5 117 175 A G T < 5S+ 0 0 51 -3,-1.6 2,-0.9 1,-0.2 -3,-0.2 0.559 81.9 131.7 93.2 7.1 66.3 33.8 32.2 118 176 A F < + 0 0 45 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.2 -0.855 23.9 171.4-101.6 105.6 66.1 35.9 35.4 119 177 A M S S+ 0 0 110 -2,-0.9 -1,-0.2 2,-0.1 -5,-0.1 0.622 74.2 9.9 -86.1 -14.6 68.2 34.2 38.1 120 178 A K S S+ 0 0 176 1,-0.4 2,-0.1 -7,-0.1 -2,-0.1 0.071 122.7 7.2-131.6-121.7 68.0 37.1 40.6 121 179 A R S S- 0 0 115 1,-0.1 -1,-0.4 -2,-0.1 -109,-0.2 -0.422 72.3-121.5 -71.4 140.8 65.8 40.2 40.4 122 180 A I - 0 0 0 -110,-2.6 5,-0.2 -2,-0.1 -1,-0.1 -0.652 39.4 -98.6 -74.5 132.9 63.2 40.4 37.7 123 181 A P >> - 0 0 40 0, 0.0 3,-2.2 0, 0.0 4,-0.8 -0.209 33.4-118.8 -52.6 142.1 63.7 43.5 35.5 124 182 A T H >> S+ 0 0 83 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.874 111.5 55.4 -53.9 -43.8 61.4 46.3 36.6 125 183 A S H 34 S+ 0 0 104 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.570 110.1 46.7 -68.9 -11.0 59.6 46.5 33.3 126 184 A K H <> S+ 0 0 112 -3,-2.2 4,-1.7 2,-0.1 -1,-0.3 0.491 89.4 85.6-105.2 -11.6 58.8 42.7 33.3 127 185 A Q H S+ 0 0 173 2,-0.2 4,-2.2 -4,-0.2 -1,-0.2 0.881 114.5 52.5 -70.0 -35.8 53.1 40.9 33.8 130 188 A L H X S+ 0 0 9 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.937 110.8 47.5 -64.8 -44.2 55.1 38.1 35.6 131 189 A L H X S+ 0 0 10 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.929 112.4 49.6 -60.9 -42.0 53.2 38.7 38.8 132 190 A A H X S+ 0 0 59 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.854 110.0 51.4 -64.3 -36.9 49.9 38.7 37.0 133 191 A K H X S+ 0 0 105 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.896 108.7 50.8 -64.9 -43.2 50.9 35.4 35.2 134 192 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.927 111.3 48.4 -60.8 -44.5 51.7 33.9 38.6 135 193 A M H X S+ 0 0 32 -4,-2.4 4,-2.0 1,-0.2 -105,-0.2 0.943 112.7 48.2 -60.4 -48.0 48.3 34.9 40.0 136 194 A Y H < S+ 0 0 186 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.934 111.5 50.4 -53.8 -49.4 46.6 33.5 36.9 137 195 A A H < S+ 0 0 48 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.898 112.4 45.9 -62.7 -41.7 48.6 30.2 37.1 138 196 A L H < 0 0 48 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.835 360.0 360.0 -73.1 -27.6 47.7 29.7 40.8 139 197 A N < 0 0 94 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.592 360.0 360.0 -88.5 360.0 44.0 30.5 40.4