==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA INTEGRATION 25-AUG-95 1ASV . COMPND 2 MOLECULE: AVIAN SARCOMA VIRUS INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AVIAN SARCOMA VIRUS; . AUTHOR G.BUJACZ,M.JASKOLSKI,J.ALEXANDRATOS,A.WLODAWER . 146 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8128.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 10.3 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 . 12 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 37.7 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 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 54 A G 0 0 127 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -49.7 22.9 29.0 51.7 2 55 A L + 0 0 184 3,-0.0 3,-0.1 2,-0.0 0, 0.0 0.301 360.0 122.4-115.9 -1.2 25.1 26.5 53.5 3 56 A G S S- 0 0 47 1,-0.1 28,-0.0 0, 0.0 0, 0.0 0.011 73.8 -63.9 -56.6 170.2 28.2 27.4 51.6 4 57 A P - 0 0 94 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.119 52.8-106.9 -57.5 150.2 31.4 28.6 53.3 5 58 A L - 0 0 115 -3,-0.1 2,-1.5 1,-0.1 25,-0.0 -0.584 32.8-114.0 -80.4 144.9 31.6 31.8 55.2 6 59 A Q + 0 0 84 -2,-0.2 57,-2.2 24,-0.1 58,-1.6 -0.628 57.1 147.9 -92.2 85.5 33.6 34.7 53.6 7 60 A I E -a 64 0A 58 -2,-1.5 23,-2.1 56,-0.2 24,-0.5 -0.973 28.5-157.6-118.5 138.1 36.5 35.1 55.8 8 61 A W E -aB 65 29A 5 56,-2.6 58,-3.6 -2,-0.4 2,-0.4 -0.751 8.5-154.0-111.2 161.3 39.9 36.2 54.6 9 62 A Q E -aB 66 28A 19 19,-1.6 19,-2.3 -2,-0.3 2,-0.4 -0.983 21.4-174.2-125.2 135.9 43.5 35.7 56.1 10 63 A T E + B 0 27A 0 56,-1.8 58,-0.3 -2,-0.4 2,-0.3 -0.976 10.1 160.9-132.4 148.6 46.0 38.4 55.0 11 64 A D E - B 0 26A 35 15,-1.9 15,-2.8 -2,-0.4 2,-0.4 -0.926 32.6-123.6-154.7 167.8 49.7 38.8 55.7 12 65 A F E - B 0 25A 14 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.932 27.5-176.7-109.7 144.7 52.8 40.6 54.3 13 66 A T E - B 0 24A 19 11,-2.4 11,-2.5 -2,-0.4 2,-0.4 -0.970 24.8-117.0-140.0 151.4 55.9 38.6 53.2 14 67 A L E + B 0 23A 75 -2,-0.3 9,-0.2 9,-0.2 8,-0.0 -0.760 27.5 177.9 -96.6 134.1 59.2 39.8 51.9 15 68 A E > - 0 0 14 7,-2.7 3,-2.2 -2,-0.4 4,-0.1 -0.819 12.8-169.5-136.2 95.9 60.5 39.1 48.4 16 69 A P G > S+ 0 0 88 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.741 84.1 69.1 -59.9 -21.1 63.8 40.6 47.3 17 70 A R G 3 S+ 0 0 48 1,-0.3 110,-2.7 109,-0.2 108,-0.1 0.683 99.0 52.4 -70.1 -14.2 63.3 39.6 43.6 18 71 A M G X S+ 0 0 0 -3,-2.2 3,-0.8 108,-0.2 -1,-0.3 0.259 95.1 171.4-100.3 14.4 60.5 42.3 43.5 19 72 A A T < + 0 0 25 -3,-1.6 108,-0.1 1,-0.3 113,-0.1 -0.342 55.8 37.5 -67.0 147.5 62.7 45.2 44.9 20 73 A P T 3 S+ 0 0 91 0, 0.0 2,-1.7 0, 0.0 -1,-0.3 -0.938 134.6 32.9 -68.4 -22.2 62.3 48.0 45.3 21 74 A R S < S+ 0 0 114 -3,-0.8 20,-0.2 1,-0.2 19,-0.1 -0.534 77.4 148.2 -96.9 74.9 58.6 47.1 46.1 22 75 A S + 0 0 21 -2,-1.7 -7,-2.7 19,-0.2 2,-0.6 0.432 33.3 98.7 -88.5 0.6 59.5 43.9 47.7 23 76 A W E -BC 14 40A 73 17,-2.3 17,-2.7 -9,-0.2 2,-0.5 -0.853 57.4-162.2 -91.8 122.7 56.8 43.7 50.3 24 77 A L E -BC 13 39A 0 -11,-2.5 -11,-2.4 -2,-0.6 2,-0.5 -0.897 7.3-155.9-104.1 125.1 54.0 41.5 49.1 25 78 A A E -BC 12 38A 0 13,-2.2 13,-1.9 -2,-0.5 2,-0.4 -0.881 20.0-170.7 -95.7 126.0 50.6 41.8 50.8 26 79 A V E -BC 11 37A 0 -15,-2.8 -15,-1.9 -2,-0.5 2,-0.4 -0.987 10.4-169.7-122.5 133.5 48.8 38.4 50.2 27 80 A T E -BC 10 36A 0 9,-2.4 9,-2.1 -2,-0.4 2,-0.4 -0.985 4.7-162.3-120.7 129.3 45.1 37.6 51.0 28 81 A V E -BC 9 35A 4 -19,-2.3 -19,-1.6 -2,-0.4 2,-0.7 -0.939 13.8-144.2-106.3 129.0 43.7 34.0 50.9 29 82 A D E > -B 8 0A 19 5,-2.2 4,-2.1 -2,-0.4 -21,-0.2 -0.855 11.3-158.9 -88.1 115.3 39.8 33.8 50.7 30 83 A T T 4 S+ 0 0 45 -23,-2.1 -1,-0.2 -2,-0.7 -22,-0.1 0.757 85.2 61.4 -71.3 -18.8 39.3 30.7 52.8 31 84 A A T 4 S+ 0 0 37 -24,-0.5 -1,-0.2 1,-0.1 -25,-0.1 0.990 127.8 8.4 -68.3 -54.7 35.8 30.0 51.2 32 85 A S T 4 S- 0 0 70 2,-0.1 -2,-0.2 -28,-0.0 -1,-0.1 0.388 93.0-126.5-105.0 -7.6 37.2 29.5 47.6 33 86 A S < + 0 0 62 -4,-2.1 -3,-0.1 1,-0.2 -2,-0.0 0.530 53.5 154.0 72.4 3.3 40.9 29.5 48.2 34 87 A A - 0 0 22 -5,-0.1 -5,-2.2 -6,-0.1 2,-0.4 -0.284 34.4-141.3 -59.6 155.3 41.5 32.2 45.6 35 88 A I E -C 28 0A 11 105,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.963 15.0-169.5-117.0 142.3 44.7 34.3 46.3 36 89 A V E +C 27 0A 3 -9,-2.1 -9,-2.4 -2,-0.4 2,-0.4 -0.997 10.6 179.6-127.2 127.2 45.1 38.1 45.8 37 90 A V E +C 26 0A 11 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.951 6.3 177.0-132.1 147.1 48.6 39.7 46.0 38 91 A T E -C 25 0A 21 -13,-1.9 -13,-2.2 -2,-0.4 2,-0.4 -0.945 25.5-121.5-139.3 162.0 49.8 43.3 45.6 39 92 A Q E +C 24 0A 21 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.916 27.3 179.5-112.7 136.9 53.3 44.9 45.9 40 93 A H E -C 23 0A 14 -17,-2.7 -17,-2.3 -2,-0.4 3,-0.1 -0.919 31.3-139.5-138.2 154.2 54.3 47.7 48.3 41 94 A G S S+ 0 0 37 -2,-0.3 2,-0.3 -20,-0.2 -19,-0.2 0.840 91.1 15.7 -84.8 -26.7 57.5 49.6 49.1 42 95 A R S S- 0 0 191 -19,-0.1 2,-0.9 -21,-0.1 -1,-0.2 -0.921 78.1-115.4-145.3 159.0 56.9 49.6 52.8 43 96 A V + 0 0 39 -2,-0.3 2,-0.2 -3,-0.1 29,-0.1 -0.883 59.6 141.5-101.3 96.9 54.7 47.7 55.2 44 97 A T > - 0 0 60 -2,-0.9 4,-1.8 28,-0.1 5,-0.2 -0.786 67.4-100.3-125.1 175.8 52.4 50.4 56.7 45 98 A S H > S+ 0 0 27 -2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.925 123.0 52.7 -66.2 -41.1 48.8 50.8 57.6 46 99 A V H > S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.852 104.6 55.0 -61.6 -41.0 48.1 52.5 54.3 47 100 A A H > S+ 0 0 6 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.906 106.7 50.5 -64.3 -38.9 49.7 49.7 52.3 48 101 A A H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.915 111.6 48.5 -62.6 -40.5 47.4 47.1 54.0 49 102 A Q H X S+ 0 0 23 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.913 111.1 49.7 -63.5 -42.8 44.2 49.3 53.2 50 103 A H H X S+ 0 0 113 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.935 111.5 50.1 -62.5 -47.4 45.4 49.7 49.6 51 104 A H H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.940 112.6 45.4 -55.9 -53.4 45.9 45.9 49.4 52 105 A W H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.801 106.9 59.7 -64.3 -29.8 42.4 45.2 50.8 53 106 A A H X S+ 0 0 44 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.949 110.4 42.0 -59.9 -48.7 40.8 47.8 48.5 54 107 A T H X S+ 0 0 64 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.869 113.7 51.4 -62.8 -46.0 42.1 45.9 45.5 55 108 A A H X S+ 0 0 0 -4,-2.3 4,-4.0 2,-0.2 5,-0.5 0.908 108.1 53.7 -60.1 -38.3 41.2 42.5 47.0 56 109 A I H X S+ 0 0 15 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.940 109.1 47.8 -63.7 -41.5 37.6 43.8 47.6 57 110 A A H < S+ 0 0 90 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.873 119.5 40.5 -68.8 -31.0 37.3 44.8 44.0 58 111 A V H < S+ 0 0 81 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.915 132.7 18.7 -83.1 -46.2 38.6 41.4 42.9 59 112 A L H < S- 0 0 53 -4,-4.0 -3,-0.2 1,-0.3 -2,-0.2 0.594 103.8-116.1-104.7 -10.7 36.8 39.1 45.5 60 113 A G < - 0 0 37 -4,-2.5 -1,-0.3 -5,-0.5 -2,-0.1 -0.194 53.6 -46.3 95.5 168.6 33.9 41.2 46.8 61 114 A R - 0 0 138 -2,-0.1 2,-0.2 -4,-0.1 -55,-0.1 -0.615 60.1-140.9 -81.8 126.9 33.6 42.3 50.4 62 115 A P - 0 0 3 0, 0.0 26,-0.2 0, 0.0 -55,-0.2 -0.490 15.6-128.2 -87.4 166.3 34.2 39.7 53.1 63 116 A K S S- 0 0 111 -57,-2.2 25,-1.8 1,-0.3 2,-0.3 0.901 90.1 -4.1 -75.2 -41.0 32.4 39.1 56.4 64 117 A A E -ad 7 88A 15 -58,-1.6 -56,-2.6 23,-0.2 2,-0.4 -0.994 56.3-144.1-151.3 163.9 35.7 39.1 58.2 65 118 A I E -ad 8 89A 0 23,-2.8 25,-1.6 -2,-0.3 2,-0.5 -0.981 12.9-152.7-129.9 132.0 39.4 39.3 57.9 66 119 A K E +ad 9 90A 16 -58,-3.6 -56,-1.8 -2,-0.4 2,-0.2 -0.826 27.5 157.5-102.1 123.5 41.9 37.3 60.1 67 120 A T - 0 0 0 23,-2.0 2,-0.1 -2,-0.5 -56,-0.1 -0.754 39.0-106.6-128.4-175.9 45.3 38.9 60.6 68 121 A D - 0 0 53 -58,-0.3 24,-0.1 -2,-0.2 -1,-0.1 -0.331 49.5 -86.7 -96.7-167.4 48.1 38.7 63.1 69 122 A N S S+ 0 0 100 -2,-0.1 5,-0.1 22,-0.1 22,-0.1 0.102 70.9 146.2 -94.7 24.7 48.9 41.5 65.6 70 123 A G >> - 0 0 15 1,-0.1 3,-1.7 2,-0.1 4,-1.2 -0.237 57.0-122.0 -58.0 149.5 51.2 43.5 63.3 71 124 A S H 3> S+ 0 0 86 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.834 111.0 62.2 -67.2 -34.9 50.9 47.2 63.9 72 125 A X H 34 S+ 0 0 42 1,-0.2 -1,-0.3 2,-0.2 -24,-0.1 0.576 111.2 43.3 -68.7 -6.3 49.8 48.1 60.4 73 126 A F H <4 S+ 0 0 1 -3,-1.7 -2,-0.2 -25,-0.1 -1,-0.2 0.615 118.7 37.4-110.6 -24.9 46.8 45.8 61.2 74 127 A T H < S+ 0 0 42 -4,-1.2 -2,-0.2 -5,-0.1 -3,-0.2 0.470 87.8 117.9-109.5 3.5 45.8 46.9 64.6 75 128 A S S X S- 0 0 34 -4,-1.7 4,-2.9 -5,-0.2 5,-0.2 -0.062 75.9-112.9 -63.7 163.9 46.5 50.6 64.3 76 129 A K H > S+ 0 0 176 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.939 116.3 55.6 -63.6 -50.5 43.6 53.1 64.6 77 130 A S H > S+ 0 0 58 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 112.9 42.3 -50.4 -48.6 43.8 54.1 61.0 78 131 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.890 112.2 52.9 -71.8 -38.2 43.3 50.5 59.9 79 132 A R H X S+ 0 0 136 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.814 112.1 47.1 -65.8 -35.3 40.6 49.7 62.5 80 133 A E H X S+ 0 0 111 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.882 107.9 54.4 -71.6 -35.8 38.7 52.7 61.2 81 134 A W H X S+ 0 0 18 -4,-1.9 4,-1.3 -5,-0.2 -2,-0.2 0.955 111.3 47.1 -60.8 -43.4 39.2 51.8 57.5 82 135 A L H X>S+ 0 0 3 -4,-2.0 5,-2.7 1,-0.2 4,-1.1 0.878 111.5 49.5 -67.2 -37.2 37.7 48.3 58.3 83 136 A A H <5S+ 0 0 62 -4,-1.5 3,-0.3 2,-0.2 -1,-0.2 0.877 105.1 57.9 -71.0 -38.8 34.8 49.9 60.3 84 137 A R H <5S+ 0 0 162 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.819 113.2 41.2 -61.0 -31.9 34.1 52.3 57.4 85 138 A W H <5S- 0 0 86 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.632 111.6-120.3 -88.3 -16.1 33.6 49.1 55.2 86 139 A G T <5 + 0 0 53 -4,-1.1 2,-0.6 -3,-0.3 -3,-0.2 0.808 61.9 146.6 79.4 33.3 31.7 47.0 57.9 87 140 A I < - 0 0 10 -5,-2.7 -1,-0.3 -6,-0.1 2,-0.2 -0.833 45.0-132.8-109.0 128.2 34.3 44.3 57.9 88 141 A A E -d 64 0A 58 -25,-1.8 -23,-2.8 -2,-0.6 2,-0.4 -0.468 19.8-156.0 -77.7 147.9 34.9 42.5 61.1 89 142 A H E +d 65 0A 46 -2,-0.2 2,-0.3 -25,-0.2 -23,-0.2 -0.974 14.7 174.2-128.7 135.7 38.5 42.0 62.2 90 143 A T E -d 66 0A 66 -25,-1.6 -23,-2.0 -2,-0.4 3,-0.1 -0.988 27.1-161.0-141.4 138.2 39.9 39.3 64.4 91 144 A T - 0 0 41 -2,-0.3 8,-0.1 1,-0.3 -22,-0.1 0.216 51.5-132.2-101.1 13.8 43.5 38.5 65.3 92 145 A G + 0 0 21 2,-0.1 -1,-0.3 -24,-0.1 4,-0.1 -0.074 60.6 4.7 65.7-166.7 42.3 35.1 66.4 93 146 A I S > S- 0 0 89 1,-0.2 2,-1.6 2,-0.1 3,-1.5 -0.205 80.3-119.0 -50.0 126.8 43.0 33.1 69.6 94 147 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.535 109.8 16.6 -75.8 88.3 45.1 35.5 71.8 95 148 A G T 3 S- 0 0 73 -2,-1.6 -2,-0.1 -3,-0.0 -3,-0.0 0.027 113.5-172.2 128.2 -9.7 48.3 33.4 72.2 96 149 A N < - 0 0 77 -3,-1.5 -4,-0.1 1,-0.1 -5,-0.0 0.210 43.5-120.6 36.6-132.1 46.9 31.6 69.3 97 150 A S - 0 0 92 -4,-0.2 3,-0.2 0, 0.0 -1,-0.1 0.017 66.7 -95.5 168.3 -4.6 47.9 28.4 67.3 98 151 A Q - 0 0 46 -5,-0.2 2,-1.4 1,-0.2 3,-0.2 0.994 41.6-165.3 61.5 81.5 48.2 30.5 64.2 99 152 A G S S+ 0 0 37 1,-0.2 -1,-0.2 -8,-0.1 -3,-0.0 -0.406 76.4 78.7 -86.8 51.9 44.8 30.1 62.6 100 153 A Q > + 0 0 16 -2,-1.4 4,-1.2 -3,-0.2 -1,-0.2 -0.323 44.7 129.3-158.9 50.5 46.3 31.5 59.4 101 154 A A H > S+ 0 0 60 -3,-0.2 4,-1.5 2,-0.2 5,-0.1 0.753 71.0 62.7 -77.0 -29.8 48.2 28.4 58.2 102 155 A M H > S+ 0 0 78 2,-0.2 4,-2.9 1,-0.2 3,-0.3 0.951 102.2 45.0 -65.7 -53.3 46.4 29.0 54.9 103 156 A V H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.892 113.5 53.3 -61.3 -34.7 48.0 32.4 54.2 104 157 A E H X S+ 0 0 128 -4,-1.2 4,-1.3 2,-0.2 -1,-0.2 0.831 109.2 46.9 -69.5 -34.5 51.4 31.0 55.2 105 158 A R H X S+ 0 0 162 -4,-1.5 4,-2.1 -3,-0.3 5,-0.3 0.903 111.5 52.7 -72.2 -40.6 51.0 28.1 52.8 106 159 A A H X S+ 0 0 3 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.865 104.0 57.5 -58.8 -35.2 50.0 30.6 50.2 107 160 A N H X S+ 0 0 16 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.902 108.0 44.8 -64.3 -44.6 53.1 32.6 50.9 108 161 A R H X S+ 0 0 175 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.883 114.1 49.0 -67.8 -39.7 55.5 29.7 50.1 109 162 A L H X S+ 0 0 46 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.929 112.0 49.7 -61.2 -46.1 53.6 28.7 47.0 110 163 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 5,-0.3 0.963 110.4 48.7 -61.3 -51.5 53.6 32.3 45.7 111 164 A K H X S+ 0 0 68 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.919 111.7 51.2 -64.9 -30.2 57.3 32.7 46.3 112 165 A D H X S+ 0 0 67 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.926 109.3 48.0 -67.2 -44.6 58.0 29.5 44.6 113 166 A K H X S+ 0 0 65 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.874 109.8 53.5 -62.4 -35.4 56.0 30.3 41.5 114 167 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 5,-0.3 0.939 111.1 46.5 -64.7 -43.2 57.7 33.8 41.3 115 168 A R H X S+ 0 0 94 -4,-1.8 4,-2.2 -5,-0.3 5,-0.3 0.955 113.6 47.2 -67.8 -49.4 61.1 32.1 41.3 116 169 A V H X S+ 0 0 70 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.964 116.6 43.9 -61.3 -47.1 60.3 29.5 38.7 117 170 A L H X S+ 0 0 37 -4,-2.6 4,-0.9 -5,-0.2 -2,-0.2 0.928 115.2 47.6 -64.6 -43.0 58.7 32.0 36.4 118 171 A A H ><>S+ 0 0 0 -4,-2.7 5,-2.6 -5,-0.3 3,-1.0 0.930 113.4 46.7 -64.0 -48.6 61.5 34.6 36.8 119 172 A E H ><5S+ 0 0 78 -4,-2.2 3,-1.5 -5,-0.3 -1,-0.2 0.874 105.7 63.3 -60.0 -30.4 64.2 32.0 36.3 120 173 A G H 3<5S+ 0 0 63 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.769 105.9 44.1 -65.2 -29.7 62.2 30.9 33.3 121 174 A D T <<5S- 0 0 91 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.188 128.0 -95.1 -97.6 11.5 62.7 34.3 31.7 122 175 A G T < 5S+ 0 0 55 -3,-1.5 2,-0.9 1,-0.2 -3,-0.2 0.586 83.2 130.0 89.9 11.7 66.4 34.5 32.5 123 176 A F < + 0 0 48 -5,-2.6 -1,-0.2 1,-0.2 -2,-0.1 -0.821 21.3 167.4-105.3 97.9 66.2 36.5 35.8 124 177 A M S S+ 0 0 114 -2,-0.9 -1,-0.2 -5,-0.1 -5,-0.1 0.766 73.8 12.6 -78.1 -27.0 68.3 34.6 38.4 125 178 A K S S+ 0 0 176 1,-0.4 -2,-0.1 -7,-0.1 -7,-0.0 0.135 122.9 5.6-118.3-120.9 68.3 37.5 40.9 126 179 A R S S- 0 0 113 1,-0.1 -1,-0.4 -108,-0.1 -109,-0.2 -0.333 71.0-124.8 -67.5 144.6 66.1 40.7 41.0 127 180 A I - 0 0 0 -110,-2.7 5,-0.2 -108,-0.1 -1,-0.1 -0.800 37.3 -99.3 -89.7 134.3 63.4 41.0 38.3 128 181 A P >> - 0 0 40 0, 0.0 3,-2.2 0, 0.0 4,-0.8 -0.292 32.4-119.1 -56.0 138.2 63.7 44.2 36.3 129 182 A T H >> S+ 0 0 86 1,-0.3 4,-0.6 2,-0.2 3,-0.6 0.810 112.0 55.3 -47.4 -42.1 61.3 46.7 37.6 130 183 A S H 34 S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.757 110.2 46.5 -72.2 -16.8 59.4 47.0 34.3 131 184 A K H <> S+ 0 0 104 -3,-2.2 4,-1.6 2,-0.1 -1,-0.2 0.546 89.3 85.6 -99.2 -9.9 58.7 43.2 34.3 132 185 A Q H S+ 0 0 163 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.855 115.2 52.8 -70.9 -35.4 53.1 41.1 34.6 135 188 A L H X S+ 0 0 7 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.937 109.3 48.6 -68.7 -37.4 55.1 38.4 36.3 136 189 A L H X S+ 0 0 14 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.960 112.9 47.4 -63.3 -47.9 53.2 39.0 39.6 137 190 A A H X S+ 0 0 59 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.931 112.5 52.0 -56.4 -40.6 49.9 38.9 37.7 138 191 A K H X S+ 0 0 100 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.945 108.2 48.3 -66.2 -43.1 51.1 35.8 36.0 139 192 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.902 112.3 50.6 -66.1 -35.2 52.0 34.0 39.3 140 193 A M H X S+ 0 0 40 -4,-2.4 4,-1.6 -5,-0.2 5,-0.2 0.914 109.9 50.2 -68.7 -38.9 48.6 35.0 40.7 141 194 A Y H X S+ 0 0 145 -4,-2.6 4,-1.9 2,-0.2 3,-0.4 0.939 110.6 48.8 -61.2 -51.5 46.9 33.6 37.6 142 195 A A H < S+ 0 0 31 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.818 112.1 49.6 -61.3 -35.1 48.8 30.3 37.8 143 196 A L H < S+ 0 0 43 -4,-1.9 3,-0.3 -5,-0.2 -1,-0.2 0.829 121.3 31.3 -76.3 -27.2 47.9 29.9 41.5 144 197 A N H < S+ 0 0 35 -4,-1.6 2,-1.2 -3,-0.4 -2,-0.2 0.925 123.6 38.0 -92.7 -56.0 44.1 30.6 41.1 145 198 A H < 0 0 118 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.1 -0.719 360.0 360.0 -95.5 70.2 43.0 29.3 37.7 146 199 A F 0 0 223 -2,-1.2 -4,-0.1 -3,-0.3 -1,-0.1 0.090 360.0 360.0 -53.8 360.0 45.2 26.2 37.8