==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 06-NOV-09 3KKR . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOVINE IMMUNODEFICIENCY VIRUS; . AUTHOR Y.SHEN . 152 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8056.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 10.5 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 . 1 0.7 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 . 7 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 41.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.6 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 1 0 0 0 1 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 57 A G 0 0 73 0, 0.0 142,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 53.8 22.7 32.1 -10.4 2 58 A S - 0 0 69 2,-0.1 53,-0.2 54,-0.0 54,-0.1 0.701 360.0-154.4-113.2 -32.3 19.4 31.4 -12.1 3 59 A H + 0 0 3 1,-0.2 52,-2.2 52,-0.1 53,-1.6 0.901 32.8 160.7 54.3 41.6 18.0 28.5 -10.1 4 60 A L E -a 56 0A 6 51,-0.2 19,-2.4 50,-0.2 2,-0.4 -0.866 18.9-168.0 -91.0 124.9 16.0 27.4 -13.1 5 61 A W E -aB 57 22A 0 51,-2.5 53,-2.3 -2,-0.6 2,-0.5 -0.938 9.8-155.6-115.3 135.7 15.0 23.7 -12.6 6 62 A Q E -aB 58 21A 0 15,-2.5 15,-2.3 -2,-0.4 2,-0.3 -0.952 11.4-160.4-109.5 129.4 13.4 21.5 -15.3 7 63 A M E + B 0 20A 0 51,-2.7 53,-0.4 -2,-0.5 2,-0.3 -0.811 17.7 158.7-107.5 148.6 11.4 18.5 -14.2 8 64 A D E - B 0 19A 18 11,-1.7 11,-3.2 -2,-0.3 2,-0.3 -0.963 36.4-116.5-160.7 148.8 10.5 15.5 -16.3 9 65 A N E - B 0 18A 30 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.728 33.1-175.6 -90.9 141.2 9.4 11.9 -15.6 10 66 A T E - B 0 17A 23 7,-3.1 7,-3.0 -2,-0.3 2,-0.4 -0.867 17.0-139.8-129.8 163.6 11.6 9.1 -16.6 11 67 A H E + B 0 16A 102 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.988 23.5 164.2-125.5 137.9 11.3 5.3 -16.6 12 68 A W S S- 0 0 57 3,-2.1 -1,-0.1 -2,-0.4 4,-0.1 0.572 77.1 -8.7-113.6 -89.0 14.2 2.9 -15.6 13 69 A N S S- 0 0 107 2,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.859 125.4 -65.9 -71.2 -87.9 13.4 -0.7 -14.8 14 70 A K S S+ 0 0 73 -3,-0.1 2,-0.2 2,-0.0 0, 0.0 0.235 107.5 118.7-141.2 19.3 10.1 0.1 -14.9 15 71 A T - 0 0 28 1,-0.1 -3,-2.1 17,-0.0 2,-0.6 -0.520 65.0-121.5 -74.8 148.2 9.9 2.4 -12.0 16 72 A I E -BC 11 33A 26 17,-0.6 17,-2.7 -5,-0.2 2,-0.5 -0.842 29.2-167.0 -92.2 119.8 8.8 5.9 -12.7 17 73 A I E -BC 10 32A 3 -7,-3.0 -7,-3.1 -2,-0.6 2,-0.5 -0.956 13.5-144.7-115.8 129.4 11.4 8.4 -11.6 18 74 A W E -BC 9 31A 0 13,-2.9 13,-1.6 -2,-0.5 2,-0.5 -0.774 22.6-162.2 -89.9 125.1 10.7 12.1 -11.4 19 75 A V E -BC 8 30A 2 -11,-3.2 -11,-1.7 -2,-0.5 2,-0.5 -0.939 13.9-174.8-123.3 122.6 13.8 14.1 -12.3 20 76 A A E -BC 7 29A 0 9,-3.0 9,-2.9 -2,-0.5 2,-0.5 -0.960 8.3-168.6-116.0 126.9 14.6 17.7 -11.6 21 77 A V E -BC 6 28A 0 -15,-2.3 -15,-2.5 -2,-0.5 2,-0.8 -0.956 20.9-139.5-119.1 128.6 17.7 19.3 -13.1 22 78 A E E >> -BC 5 27A 0 5,-3.1 4,-2.8 -2,-0.5 5,-0.5 -0.781 20.6-150.6 -81.8 114.1 19.2 22.7 -12.1 23 79 A T T 45S+ 0 0 19 -19,-2.4 -1,-0.1 -2,-0.8 -18,-0.1 0.603 86.6 51.9 -72.6 -13.2 20.1 23.9 -15.6 24 80 A N T 45S+ 0 0 80 -20,-0.4 -1,-0.2 3,-0.1 -19,-0.1 0.887 124.8 21.3 -85.8 -43.7 23.1 26.1 -14.4 25 81 A S T 45S- 0 0 8 -3,-0.2 -2,-0.2 2,-0.1 117,-0.1 0.672 95.8-124.1 -97.8 -20.4 25.0 23.5 -12.4 26 82 A G T <5 + 0 0 7 -4,-2.8 -3,-0.2 1,-0.3 2,-0.1 0.561 54.1 161.6 79.0 10.5 23.6 20.3 -13.8 27 83 A L E < -C 22 0A 0 -5,-0.5 -5,-3.1 112,-0.3 2,-0.4 -0.445 25.4-148.7 -65.7 136.3 22.6 19.3 -10.3 28 84 A V E -C 21 0A 1 -7,-0.2 2,-0.4 96,-0.2 -7,-0.2 -0.877 19.6-176.0-115.8 139.4 20.0 16.6 -10.2 29 85 A E E +C 20 0A 35 -9,-2.9 -9,-3.0 -2,-0.4 2,-0.3 -0.983 19.3 170.4-130.7 118.8 17.2 15.8 -7.8 30 86 A A E -C 19 0A 9 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.894 13.8-176.7-133.5 160.3 15.2 12.7 -8.4 31 87 A Q E -C 18 0A 53 -13,-1.6 -13,-2.9 -2,-0.3 2,-0.3 -0.960 30.5-116.9-158.0 130.3 12.6 10.6 -6.6 32 88 A V E -C 17 0A 31 -2,-0.3 -15,-0.2 -15,-0.2 -17,-0.0 -0.577 35.5-166.5 -67.1 127.5 10.8 7.3 -7.4 33 89 A I E -C 16 0A 3 -17,-2.7 -17,-0.6 -2,-0.3 3,-0.1 -0.965 22.0-140.8-119.1 141.9 7.1 8.0 -7.8 34 90 A P S S+ 0 0 98 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.941 82.7 1.1 -61.5 -54.6 4.3 5.3 -7.8 35 91 A E S S- 0 0 114 2,-0.1 2,-1.7 -19,-0.0 5,-0.1 -0.921 77.7-102.3-135.9 163.4 2.1 6.9 -10.5 36 92 A E + 0 0 87 -2,-0.3 2,-0.3 4,-0.1 28,-0.1 -0.561 67.4 135.2 -88.3 76.7 2.2 10.0 -12.7 37 93 A T > - 0 0 43 -2,-1.7 4,-2.4 27,-0.1 3,-0.3 -0.886 67.0-120.2-120.9 154.4 -0.2 12.3 -10.9 38 94 A A H > S+ 0 0 14 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.785 115.3 62.6 -59.0 -27.3 -0.1 15.9 -10.0 39 95 A L H > S+ 0 0 75 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.940 106.7 42.3 -62.5 -47.9 -0.4 14.7 -6.4 40 96 A Q H >> S+ 0 0 35 -3,-0.3 4,-2.0 1,-0.2 3,-0.5 0.936 114.2 50.8 -62.8 -48.4 2.9 12.9 -6.7 41 97 A V H 3X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.861 106.0 56.7 -58.0 -38.2 4.5 15.8 -8.6 42 98 A A H 3X S+ 0 0 7 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.832 106.9 48.9 -65.0 -33.8 3.4 18.2 -5.9 43 99 A L H > - 0 0 21 1,-0.1 3,-2.4 3,-0.1 4,-0.8 0.089 61.0-120.4 -34.5 136.9 1.9 16.7 -19.4 63 119 A P H 3> S+ 0 0 107 0, 0.0 4,-1.4 0, 0.0 3,-0.3 0.745 111.7 62.5 -57.9 -26.6 -1.2 17.0 -17.2 64 120 A C H 34 S+ 0 0 10 1,-0.2 -23,-0.1 2,-0.2 -2,-0.1 0.604 110.5 40.7 -75.1 -8.5 0.7 16.0 -14.1 65 121 A F H <4 S+ 0 0 2 -3,-2.4 -1,-0.2 -4,-0.1 -3,-0.1 0.476 121.1 40.4-111.0 -11.0 2.8 19.2 -14.6 66 122 A T H < S+ 0 0 37 -4,-0.8 -2,-0.2 -3,-0.3 5,-0.1 0.493 80.6 125.8-118.1 -7.7 0.0 21.5 -15.6 67 123 A A S >X S- 0 0 34 -4,-1.4 4,-2.0 -5,-0.2 3,-1.0 -0.143 74.9-109.2 -57.4 149.6 -2.8 20.6 -13.2 68 124 A H H 3> S+ 0 0 137 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.822 118.1 61.4 -50.3 -37.0 -4.3 23.4 -11.2 69 125 A R H 3> S+ 0 0 119 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.922 107.6 42.8 -57.3 -46.6 -2.7 21.9 -8.1 70 126 A I H <> S+ 0 0 0 -3,-1.0 4,-2.5 2,-0.2 5,-0.2 0.937 114.4 49.6 -65.4 -49.0 0.8 22.4 -9.5 71 127 A E H X S+ 0 0 87 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.897 113.7 47.3 -56.8 -41.9 0.1 25.8 -10.9 72 128 A N H X S+ 0 0 86 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.917 109.8 52.5 -66.4 -45.5 -1.3 26.9 -7.5 73 129 A L H X S+ 0 0 25 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.941 109.7 48.4 -56.2 -49.6 1.6 25.5 -5.6 74 130 A C H <>S+ 0 0 1 -4,-2.5 5,-3.5 1,-0.2 4,-0.3 0.865 109.8 52.2 -62.7 -36.6 4.1 27.4 -7.7 75 131 A K H ><5S+ 0 0 159 -4,-1.7 3,-1.3 -5,-0.2 -1,-0.2 0.951 111.2 48.1 -62.1 -48.9 2.2 30.6 -7.3 76 132 A Y H 3<5S+ 0 0 188 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.924 111.5 48.6 -53.6 -50.4 2.2 30.0 -3.5 77 133 A L T 3<5S- 0 0 49 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.447 114.8-116.8 -75.4 2.1 6.0 29.3 -3.5 78 134 A G T < 5 + 0 0 62 -3,-1.3 2,-0.5 -4,-0.3 -3,-0.2 0.815 62.9 155.0 67.7 30.8 6.6 32.4 -5.6 79 135 A I < - 0 0 12 -5,-3.5 -1,-0.2 -6,-0.2 -23,-0.2 -0.812 46.0-128.3-102.5 123.9 7.9 30.3 -8.4 80 136 A T E -d 56 0A 82 -25,-2.4 -23,-3.4 -2,-0.5 2,-0.5 -0.464 30.2-157.6 -60.8 128.6 7.9 31.3 -12.0 81 137 A K E +d 57 0A 50 -25,-0.2 2,-0.3 -2,-0.2 -23,-0.2 -0.946 18.5 165.2-121.3 123.7 6.3 28.5 -14.0 82 138 A T E -d 58 0A 46 -25,-2.4 -23,-0.8 -2,-0.5 2,-0.3 -0.924 14.9-157.4-130.1 160.1 6.8 27.8 -17.8 83 139 A T E +d 59 0A 49 -2,-0.3 -23,-0.2 -25,-0.2 -22,-0.1 -0.924 43.1 79.9-132.8 157.9 6.0 24.9 -20.1 84 140 A G S S- 0 0 30 -25,-2.2 -24,-0.2 -2,-0.3 -1,-0.0 0.584 71.0 -87.9 111.5 102.9 7.3 23.7 -23.4 85 141 A I S S+ 0 0 72 1,-0.1 2,-0.1 2,-0.1 -24,-0.1 -0.663 103.7 34.7 -81.8 132.7 10.5 21.7 -24.3 86 142 A P - 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.546 55.6-172.3 -93.0 154.6 13.0 23.1 -24.8 87 143 A Y S S- 0 0 98 1,-0.4 -2,-0.1 -2,-0.1 3,-0.1 0.985 85.2 -37.3 -55.8 -55.1 13.2 26.1 -22.6 88 144 A N > - 0 0 44 1,-0.1 4,-2.6 0, 0.0 -1,-0.4 -0.964 62.2 -97.2-160.0 168.9 16.2 26.7 -24.7 89 145 A P H > S+ 0 0 95 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.889 119.4 55.5 -57.7 -42.8 19.1 24.7 -26.4 90 146 A Q H > S+ 0 0 133 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.906 113.9 39.0 -54.1 -48.6 21.5 25.4 -23.5 91 147 A S H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 112.2 54.2 -75.2 -46.1 19.1 24.1 -20.9 92 148 A Q H X S+ 0 0 30 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.915 107.9 52.2 -55.0 -44.9 17.8 21.1 -22.8 93 149 A G H X S+ 0 0 42 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.926 108.9 49.4 -58.2 -48.9 21.4 19.9 -23.4 94 150 A V H X S+ 0 0 29 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.896 113.2 48.5 -54.0 -43.6 22.2 20.1 -19.7 95 151 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.917 110.2 49.5 -66.8 -44.4 19.0 18.1 -19.0 96 152 A E H X S+ 0 0 105 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.921 111.8 47.4 -66.3 -44.0 19.7 15.4 -21.5 97 153 A R H X S+ 0 0 144 -4,-2.5 4,-3.1 -5,-0.2 3,-0.4 0.951 111.4 52.7 -58.2 -46.6 23.2 14.8 -20.4 98 154 A A H X S+ 0 0 4 -4,-2.1 4,-2.6 1,-0.3 -2,-0.2 0.918 107.3 51.5 -56.6 -45.0 22.0 14.7 -16.8 99 155 A H H X S+ 0 0 28 -4,-2.6 4,-1.7 1,-0.2 -1,-0.3 0.849 113.1 45.7 -60.0 -33.6 19.4 12.1 -17.6 100 156 A R H X S+ 0 0 121 -4,-1.6 4,-2.1 -3,-0.4 -2,-0.2 0.908 111.6 49.3 -82.6 -41.0 22.0 10.0 -19.3 101 157 A D H X S+ 0 0 49 -4,-3.1 4,-3.1 2,-0.2 5,-0.3 0.889 110.6 53.5 -58.9 -38.9 24.5 10.3 -16.5 102 158 A L H X S+ 0 0 7 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.923 109.8 46.0 -63.4 -44.3 21.8 9.4 -14.0 103 159 A K H X S+ 0 0 70 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.815 114.4 49.3 -68.0 -32.4 20.9 6.3 -15.9 104 160 A D H X S+ 0 0 86 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.975 115.3 41.4 -66.2 -57.2 24.6 5.4 -16.2 105 161 A R H X S+ 0 0 49 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.836 113.7 55.4 -60.0 -33.3 25.3 6.0 -12.4 106 162 A L H X S+ 0 0 1 -4,-2.3 4,-1.2 -5,-0.3 -1,-0.2 0.883 107.5 48.4 -67.6 -40.3 22.0 4.2 -11.7 107 163 A A H X S+ 0 0 46 -4,-1.6 4,-0.7 1,-0.2 -2,-0.2 0.885 108.1 56.1 -64.2 -39.5 23.1 1.1 -13.7 108 164 A A H < S+ 0 0 45 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.817 116.6 33.7 -65.2 -34.3 26.5 1.1 -11.8 109 165 A Y H >< S+ 0 0 49 -4,-1.4 3,-2.1 1,-0.1 4,-0.3 0.567 96.7 89.6 -97.5 -11.8 24.9 1.0 -8.4 110 166 A Q H >< S+ 0 0 109 -4,-1.2 3,-1.0 1,-0.3 -2,-0.2 0.862 85.3 52.8 -50.4 -42.0 22.0 -1.2 -9.6 111 167 A G T 3< S+ 0 0 53 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.256 108.1 50.1 -84.8 12.9 23.9 -4.3 -8.9 112 168 A D T < S+ 0 0 128 -3,-2.1 2,-0.3 0, 0.0 -1,-0.2 0.241 104.7 65.7-128.0 7.5 24.7 -3.4 -5.3 113 169 A C < - 0 0 34 -3,-1.0 3,-0.1 -4,-0.3 0, 0.0 -0.879 58.0-152.3-133.1 162.5 21.2 -2.5 -4.2 114 170 A E S S+ 0 0 197 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.808 82.5 43.9-100.5 -43.5 17.8 -4.0 -3.6 115 171 A T S > S- 0 0 69 1,-0.1 4,-1.8 0, 0.0 -1,-0.1 -0.719 72.4-132.4-106.2 156.0 15.5 -1.1 -4.2 116 172 A V H > S+ 0 0 19 -2,-0.3 4,-3.2 2,-0.2 5,-0.2 0.853 107.6 61.1 -69.9 -34.2 15.6 1.5 -6.9 117 173 A E H > S+ 0 0 100 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.926 106.9 44.3 -58.6 -45.6 15.1 4.2 -4.2 118 174 A A H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.920 114.0 50.0 -64.7 -45.1 18.4 3.2 -2.6 119 175 A A H X S+ 0 0 1 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.913 108.5 53.9 -56.8 -43.5 20.1 3.0 -6.0 120 176 A L H X S+ 0 0 5 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.909 106.5 51.1 -61.8 -42.8 18.8 6.4 -6.9 121 177 A S H X S+ 0 0 74 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.943 112.4 45.7 -59.5 -49.3 20.3 8.0 -3.8 122 178 A L H X S+ 0 0 73 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.881 113.1 51.2 -61.3 -39.3 23.7 6.5 -4.4 123 179 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.901 108.4 51.4 -64.6 -43.1 23.5 7.6 -8.1 124 180 A L H X S+ 0 0 21 -4,-2.8 4,-2.9 2,-0.2 5,-0.4 0.917 109.5 48.9 -60.6 -45.0 22.6 11.1 -7.2 125 181 A V H X>S+ 0 0 46 -4,-2.1 4,-2.3 2,-0.2 5,-0.8 0.907 112.4 49.4 -64.4 -39.7 25.6 11.5 -4.8 126 182 A S H X>S+ 0 0 0 -4,-1.9 5,-2.5 3,-0.2 4,-1.8 0.979 116.8 40.1 -57.8 -59.2 27.9 10.1 -7.4 127 183 A L H <5S+ 0 0 10 -4,-2.5 -2,-0.2 3,-0.2 -3,-0.2 0.916 127.2 31.9 -56.8 -52.0 26.7 12.4 -10.1 128 184 A N H <5S+ 0 0 11 -4,-2.9 12,-2.2 -5,-0.2 13,-0.4 0.843 133.6 22.7 -79.1 -36.7 26.3 15.6 -8.0 129 185 A K H <5S+ 0 0 128 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.2 0.651 126.7 34.5-112.1 -20.8 29.1 15.1 -5.4 130 186 A K T < - 0 0 47 4,-1.4 3,-3.5 -2,-0.3 2,-0.3 -0.372 66.6 -92.4 -66.9 142.3 36.5 18.3 -13.4 134 190 A I T 3 S- 0 0 180 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.424 117.2 -5.2 -54.0 114.7 40.0 17.2 -12.5 135 191 A G T 3 S+ 0 0 92 -2,-0.3 -1,-0.3 1,-0.2 2,-0.1 0.711 127.9 95.6 65.1 21.5 40.7 19.9 -9.9 136 192 A G S < S- 0 0 34 -3,-3.5 2,-0.3 1,-0.1 -1,-0.2 -0.334 77.9 -60.8-120.9-156.9 37.4 21.6 -10.8 137 193 A H - 0 0 122 -2,-0.1 -4,-1.4 -3,-0.1 -1,-0.1 -0.647 29.7-143.9 -96.6 148.9 33.8 21.7 -9.6 138 194 A T > - 0 0 9 -2,-0.3 4,-2.1 -6,-0.2 5,-0.2 -0.591 43.2 -98.9 -89.4 164.4 31.1 19.0 -9.3 139 195 A P H > S+ 0 0 24 0, 0.0 4,-2.4 0, 0.0 -112,-0.3 0.853 127.2 53.4 -52.9 -33.0 27.6 20.1 -10.1 140 196 A Y H > S+ 0 0 81 -12,-2.2 4,-3.2 2,-0.2 5,-0.2 0.919 107.2 47.9 -68.8 -44.1 27.1 20.4 -6.3 141 197 A E H > S+ 0 0 87 -13,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.826 113.1 50.8 -66.7 -29.9 30.0 22.7 -5.8 142 198 A I H X S+ 0 0 60 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.950 113.9 42.3 -69.8 -50.4 28.8 24.7 -8.7 143 199 A Y H X S+ 0 0 5 -4,-2.4 4,-2.5 1,-0.2 3,-0.2 0.909 112.9 54.8 -60.2 -43.5 25.3 25.0 -7.3 144 200 A L H X S+ 0 0 77 -4,-3.2 4,-3.0 1,-0.2 -1,-0.2 0.942 104.9 53.6 -57.5 -46.8 26.7 25.6 -3.8 145 201 A E H X S+ 0 0 115 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.835 113.4 41.1 -60.1 -36.3 28.8 28.5 -5.1 146 202 A S H < S+ 0 0 12 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.752 111.9 56.0 -84.9 -25.2 25.8 30.3 -6.6 147 203 A E H X S+ 0 0 35 -4,-2.5 4,-0.9 -5,-0.2 3,-0.3 0.922 107.0 52.0 -63.9 -45.1 23.6 29.4 -3.6 148 204 A H H >X S+ 0 0 104 -4,-3.0 2,-2.9 1,-0.3 3,-1.2 0.930 99.0 62.3 -57.6 -51.5 26.3 31.1 -1.5 149 205 A T H 3< S+ 0 0 73 -4,-1.6 -1,-0.3 1,-0.2 -4,-0.0 -0.348 113.0 37.4 -73.0 59.8 26.2 34.3 -3.6 150 206 A K H 34 S+ 0 0 104 -2,-2.9 -1,-0.2 -3,-0.3 -2,-0.2 0.167 116.5 46.3-176.8 -23.2 22.5 34.7 -2.6 151 207 A Y H << 0 0 153 -3,-1.2 -2,-0.2 -4,-0.9 -3,-0.1 0.138 360.0 360.0-119.8 18.8 22.4 33.6 1.0 152 208 A Q < 0 0 208 -4,-0.7 -1,-0.1 -5,-0.1 -3,-0.1 0.885 360.0 360.0 -43.3 360.0 25.5 35.5 2.3