==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-JAN-01 1HYV . COMPND 2 MOLECULE: INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR V.MOLTENI,J.GREENWALD,D.RHODES,Y.HWANG,W.KWIATKOWSKI, . 144 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8109.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 75.0 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 . 16 11.1 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 . 9 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 41.0 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+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 0 1 2 0 0 1 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 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 57 A S > 0 0 106 0, 0.0 3,-1.4 0, 0.0 23,-0.4 0.000 360.0 360.0 360.0 109.8 21.7 10.7 -6.9 2 58 A P T 3 + 0 0 34 0, 0.0 23,-0.1 0, 0.0 138,-0.0 0.522 360.0 55.9 -68.7 -16.3 19.6 13.0 -4.6 3 59 A G T 3 S+ 0 0 10 51,-0.1 52,-2.1 49,-0.0 53,-2.0 0.299 82.4 108.1 -99.4 12.4 22.4 14.8 -2.9 4 60 A I E < +a 56 0A 29 -3,-1.4 19,-1.7 51,-0.2 20,-0.4 -0.739 41.1 175.2 -99.2 132.0 24.2 16.1 -6.0 5 61 A W E -aB 57 22A 2 51,-2.1 53,-2.8 -2,-0.5 2,-0.4 -0.934 21.1-142.5-126.1 151.1 24.1 19.8 -7.0 6 62 A Q E -aB 58 21A 4 15,-2.6 15,-2.7 -2,-0.3 2,-0.4 -0.930 18.3-168.3-112.7 133.5 25.8 21.7 -9.8 7 63 A L E + B 0 20A 2 51,-2.7 54,-0.3 -2,-0.4 2,-0.3 -0.996 17.2 145.8-129.3 127.9 27.0 25.2 -9.1 8 64 A D E - B 0 19A 16 11,-2.3 11,-3.4 -2,-0.4 2,-0.4 -0.956 35.5-124.2-145.7 169.6 28.1 27.9 -11.6 9 65 A X E - B 0 18A 25 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.931 22.6-175.8-117.1 147.0 28.2 31.6 -12.2 10 66 A T E - B 0 17A 27 7,-2.5 7,-2.6 -2,-0.4 2,-0.4 -0.838 18.0-126.8-130.6 175.1 26.9 33.4 -15.2 11 67 A H E + B 0 16A 96 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.939 29.3 157.9-132.4 142.0 26.9 37.0 -16.2 12 68 A L E > S- B 0 15A 49 3,-1.9 3,-1.9 -2,-0.4 -2,-0.0 -0.937 71.4 -2.7-157.4 130.2 24.2 39.5 -17.3 13 69 A E T 3 S- 0 0 97 -2,-0.3 3,-0.1 1,-0.3 97,-0.1 0.785 126.4 -57.0 59.8 28.7 24.2 43.3 -17.2 14 70 A G T 3 S+ 0 0 87 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.694 118.5 107.9 79.9 2.4 27.7 43.6 -15.5 15 71 A K E < -B 12 0A 98 -3,-1.9 -3,-1.9 20,-0.0 2,-0.4 -0.889 66.2-125.5-111.9 169.9 26.4 41.5 -12.7 16 72 A V E -BC 11 33A 15 17,-1.0 17,-2.6 -2,-0.3 2,-0.5 -0.899 15.8-162.5-117.6 138.0 27.1 37.9 -11.6 17 73 A I E -BC 10 32A 0 -7,-2.6 -7,-2.5 -2,-0.4 2,-0.6 -0.953 8.8-150.2-121.0 121.5 24.4 35.3 -11.0 18 74 A L E -BC 9 31A 0 13,-2.7 13,-1.8 -2,-0.5 2,-0.5 -0.825 17.5-167.1 -91.7 127.6 25.2 32.2 -9.1 19 75 A V E -BC 8 30A 1 -11,-3.4 -11,-2.3 -2,-0.6 2,-0.4 -0.958 8.9-174.2-123.2 122.1 23.1 29.3 -10.2 20 76 A A E -BC 7 29A 0 9,-2.7 9,-2.4 -2,-0.5 2,-0.4 -0.959 6.0-167.4-111.0 135.6 22.7 26.1 -8.4 21 77 A V E -BC 6 28A 0 -15,-2.7 -15,-2.6 -2,-0.4 2,-0.8 -0.976 22.4-135.7-125.5 131.0 20.8 23.1 -9.9 22 78 A H E >> -B 5 0A 0 5,-2.9 4,-2.6 -2,-0.4 3,-0.8 -0.779 26.3-147.8 -79.4 112.9 19.7 20.0 -8.1 23 79 A V T 34 S+ 0 0 47 -19,-1.7 -1,-0.2 -2,-0.8 -18,-0.1 0.795 86.8 49.8 -57.8 -45.7 20.7 17.5 -10.8 24 80 A A T 34 S+ 0 0 49 -20,-0.4 -1,-0.2 -23,-0.4 -19,-0.1 0.724 126.0 24.7 -68.0 -20.8 18.1 14.8 -10.3 25 81 A S T <4 S- 0 0 4 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.674 92.9-124.6-115.7 -25.7 15.1 17.2 -10.4 26 82 A G < + 0 0 3 -4,-2.6 106,-0.1 1,-0.3 -3,-0.1 0.461 56.2 151.8 82.0 8.3 16.2 20.4 -12.3 27 83 A Y - 0 0 38 -5,-0.5 -5,-2.9 105,-0.3 2,-0.4 -0.450 30.4-151.5 -70.7 139.5 15.2 22.6 -9.4 28 84 A I E -C 21 0A 1 90,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.877 20.6-171.8-119.3 149.4 17.2 25.8 -9.2 29 85 A E E +C 20 0A 44 -9,-2.4 -9,-2.7 -2,-0.4 2,-0.3 -0.995 22.2 173.8-127.9 131.0 18.4 28.1 -6.4 30 86 A A E -C 19 0A 3 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.866 17.5-175.8-144.7 157.9 20.0 31.4 -7.5 31 87 A E E -C 18 0A 74 -13,-1.8 -13,-2.7 -2,-0.3 2,-0.6 -0.982 29.2-126.6-146.0 148.2 21.3 34.7 -6.1 32 88 A V E -C 17 0A 32 -2,-0.3 -15,-0.3 -15,-0.2 -2,-0.0 -0.905 38.2-157.2 -97.0 127.1 22.7 37.8 -7.8 33 89 A I E -C 16 0A 9 -17,-2.6 -17,-1.0 -2,-0.6 3,-0.1 -0.844 22.0-131.4-113.5 154.6 26.1 38.2 -6.1 34 90 A P S S+ 0 0 110 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.757 89.1 6.3 -78.2 -24.5 28.1 41.4 -5.8 35 91 A A S S- 0 0 42 2,-0.1 2,-1.8 -19,-0.1 5,-0.1 -0.986 73.6-112.0-154.8 146.7 31.3 39.7 -6.9 36 92 A E + 0 0 79 -2,-0.3 2,-0.3 -3,-0.1 -27,-0.0 -0.557 68.4 141.0 -76.8 76.0 32.5 36.4 -8.2 37 93 A T > - 0 0 49 -2,-1.8 4,-1.9 1,-0.1 3,-0.3 -0.823 67.4-116.8-120.1 166.7 34.5 35.5 -5.1 38 94 A G H > S+ 0 0 14 -2,-0.3 4,-2.9 1,-0.3 5,-0.2 0.843 114.9 57.7 -65.4 -38.3 35.3 32.6 -2.8 39 95 A Q H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.885 108.4 44.6 -57.7 -47.1 33.6 34.3 0.1 40 96 A E H > S+ 0 0 54 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.881 114.2 49.4 -64.8 -43.1 30.3 34.6 -1.9 41 97 A T H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.908 112.3 48.4 -59.6 -44.1 30.5 30.9 -3.1 42 98 A A H X S+ 0 0 12 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.878 111.3 49.1 -65.1 -42.6 31.3 29.7 0.4 43 99 A Y H X S+ 0 0 140 -4,-2.1 4,-2.3 -5,-0.2 5,-0.2 0.927 112.3 48.8 -66.0 -39.1 28.4 31.6 2.0 44 100 A F H X S+ 0 0 8 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.932 110.3 51.2 -64.7 -41.2 26.0 30.3 -0.7 45 101 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.925 110.8 48.3 -59.8 -44.8 27.2 26.7 -0.2 46 102 A L H X S+ 0 0 73 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.903 112.9 48.4 -65.3 -41.2 26.6 27.0 3.6 47 103 A K H X S+ 0 0 51 -4,-2.3 4,-0.7 1,-0.2 3,-0.5 0.952 112.7 48.1 -58.4 -54.1 23.1 28.4 3.0 48 104 A L H >X S+ 0 0 6 -4,-2.9 4,-2.2 -5,-0.2 3,-1.3 0.933 107.8 54.2 -56.6 -40.8 22.2 25.7 0.5 49 105 A A H 3< S+ 0 0 27 -4,-2.5 5,-0.3 1,-0.3 -1,-0.2 0.735 106.0 53.6 -72.0 -17.9 23.4 22.9 2.7 50 106 A G H 3< S+ 0 0 63 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.551 115.0 40.5 -88.1 -8.0 21.3 24.1 5.6 51 107 A R H << S+ 0 0 160 -3,-1.3 -2,-0.2 -4,-0.7 -1,-0.1 0.760 125.4 20.3-105.5 -29.8 18.2 24.1 3.4 52 108 A W S < S- 0 0 44 -4,-2.2 2,-1.3 -49,-0.0 -1,-0.3 -0.954 90.8 -95.0-137.6 153.9 18.7 20.8 1.3 53 109 A P - 0 0 74 0, 0.0 2,-0.7 0, 0.0 -4,-0.1 -0.646 46.7-170.7 -78.2 92.7 20.8 17.7 2.0 54 110 A V + 0 0 14 -2,-1.3 -50,-0.1 -5,-0.3 3,-0.1 -0.793 21.4 158.4 -91.3 115.9 23.9 18.6 -0.0 55 111 A K + 0 0 51 -52,-2.1 25,-2.2 -2,-0.7 2,-0.3 0.858 66.6 7.4-103.7 -39.2 26.3 15.7 -0.4 56 112 A T E -ad 4 80A 25 -53,-2.0 -51,-2.1 23,-0.2 2,-0.4 -0.958 59.2-154.0-145.5 148.4 28.4 16.6 -3.4 57 113 A V E -ad 5 81A 1 23,-1.6 25,-2.3 -2,-0.3 2,-0.3 -0.999 7.3-168.2-124.9 135.3 28.7 19.6 -5.7 58 114 A H E -a 6 0A 58 -53,-2.8 -51,-2.7 -2,-0.4 2,-0.3 -0.783 9.0-179.0-111.8 158.7 29.8 19.6 -9.3 59 115 A T - 0 0 9 23,-0.3 3,-0.2 -2,-0.3 -51,-0.2 -0.951 35.9-132.3-149.8 162.9 30.8 22.7 -11.3 60 116 A D S S+ 0 0 109 -2,-0.3 2,-0.3 -53,-0.2 -52,-0.1 0.126 103.9 54.5 -99.2 8.5 31.9 23.6 -14.8 61 117 A N > - 0 0 71 -54,-0.3 3,-2.4 1,-0.1 -1,-0.2 -0.663 66.3-174.9-135.8 89.4 34.7 25.8 -13.5 62 118 A G G > S+ 0 0 42 -2,-0.3 3,-2.5 1,-0.3 -1,-0.1 0.780 80.2 68.1 -58.6 -28.5 36.8 23.7 -11.0 63 119 A S G > S+ 0 0 74 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.687 82.8 77.0 -63.7 -20.5 38.9 26.7 -10.0 64 120 A N G < S+ 0 0 20 -3,-2.4 -1,-0.3 1,-0.3 3,-0.3 0.637 95.8 48.3 -64.1 -18.2 35.7 28.1 -8.3 65 121 A F G < S+ 0 0 5 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 -0.011 85.8 87.4-110.9 17.5 36.3 25.7 -5.5 66 122 A T < + 0 0 90 -3,-1.3 -1,-0.2 4,-0.1 -2,-0.1 0.575 58.6 104.8 -93.6 -11.1 40.0 26.2 -4.6 67 123 A S S > S- 0 0 37 -3,-0.3 4,-2.3 -4,-0.2 5,-0.1 -0.272 76.9-121.3 -77.1 142.2 39.9 29.0 -2.1 68 124 A T H > S+ 0 0 118 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.862 113.1 56.3 -44.0 -45.0 40.5 28.4 1.6 69 125 A T H > S+ 0 0 50 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.889 109.1 44.0 -63.3 -41.0 37.0 30.0 2.3 70 126 A V H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.953 113.8 50.3 -67.6 -41.7 35.2 27.6 -0.0 71 127 A K H X S+ 0 0 124 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.888 109.9 51.7 -63.0 -36.8 37.1 24.5 1.3 72 128 A A H X S+ 0 0 48 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.842 109.8 48.6 -68.3 -37.1 36.3 25.6 4.8 73 129 A A H X S+ 0 0 12 -4,-1.9 4,-2.2 2,-0.2 6,-0.2 0.927 112.9 47.3 -65.5 -44.4 32.6 25.9 4.0 74 130 A X H X>S+ 0 0 18 -4,-2.6 5,-2.5 1,-0.2 4,-1.0 0.924 112.9 50.7 -61.1 -42.5 32.6 22.4 2.3 75 131 A W H ><5S+ 0 0 196 -4,-2.5 3,-0.6 -5,-0.2 -2,-0.2 0.933 111.9 45.6 -58.2 -55.3 34.5 21.0 5.4 76 132 A W H 3<5S+ 0 0 183 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.870 118.0 42.2 -58.3 -46.1 32.1 22.4 7.9 77 133 A A H 3<5S- 0 0 31 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.570 110.0-118.8 -80.9 -4.3 29.0 21.3 6.0 78 134 A G T <<5 + 0 0 55 -4,-1.0 2,-0.4 -3,-0.6 -3,-0.2 0.860 59.9 151.4 76.0 30.0 30.4 17.9 5.1 79 135 A I < - 0 0 7 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.800 26.7-163.4 -93.5 148.5 30.2 18.5 1.3 80 136 A K E -d 56 0A 154 -25,-2.2 -23,-1.6 -2,-0.4 2,-0.3 -0.808 28.4-102.3-124.0 159.1 32.6 16.8 -1.1 81 137 A Q E -d 57 0A 63 -2,-0.3 2,-0.5 -25,-0.2 -23,-0.2 -0.680 35.3-123.4 -83.8 137.3 33.3 17.7 -4.7 82 138 A E - 0 0 50 -25,-2.3 -23,-0.3 -2,-0.3 -1,-0.0 -0.743 21.9-168.5 -83.0 123.8 31.5 15.5 -7.3 83 139 A F 0 0 182 -2,-0.5 -1,-0.1 1,-0.2 -25,-0.0 0.320 360.0 360.0-100.7 6.2 34.0 13.9 -9.7 84 140 A G 0 0 92 0, 0.0 -1,-0.2 0, 0.0 -26,-0.1 -0.044 360.0 360.0-150.2 360.0 31.7 12.5 -12.4 85 ! 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 86 148 A Q > 0 0 102 0, 0.0 4,-1.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -37.0 25.4 17.1 -18.4 87 149 A G H > + 0 0 55 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.895 360.0 50.5 -68.2 -43.9 22.2 17.5 -20.5 88 150 A V H > S+ 0 0 43 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.915 109.1 49.5 -61.5 -47.2 20.0 18.8 -17.7 89 151 A I H > S+ 0 0 12 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.859 109.0 51.1 -65.0 -38.8 22.3 21.6 -16.4 90 152 A E H X S+ 0 0 134 -4,-1.3 4,-1.4 1,-0.2 5,-0.3 0.922 111.5 49.6 -66.3 -38.3 22.9 23.1 -19.9 91 153 A S H X S+ 0 0 60 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.710 109.1 52.1 -72.6 -23.1 19.2 23.2 -20.4 92 154 A M H X S+ 0 0 12 -4,-1.2 4,-1.4 -3,-0.2 -1,-0.2 0.870 107.2 49.5 -83.7 -35.5 18.5 24.9 -17.1 93 155 A N H X S+ 0 0 25 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.845 114.6 41.8 -72.5 -38.4 20.9 27.8 -17.4 94 156 A K H X S+ 0 0 158 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.855 116.0 51.9 -74.5 -34.6 19.9 29.0 -20.9 95 157 A E H X S+ 0 0 36 -4,-0.7 4,-2.6 -5,-0.3 -2,-0.2 0.799 108.5 50.7 -66.7 -31.0 16.3 28.4 -19.9 96 158 A L H X S+ 0 0 3 -4,-1.4 4,-3.3 2,-0.2 5,-0.2 0.939 111.7 46.6 -74.1 -42.8 16.9 30.6 -16.8 97 159 A K H X S+ 0 0 74 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.898 112.1 52.9 -65.0 -29.7 18.4 33.3 -19.0 98 160 A K H X S+ 0 0 138 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.957 111.6 43.8 -69.0 -52.2 15.5 32.9 -21.3 99 161 A I H X S+ 0 0 3 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.915 112.3 53.7 -58.6 -40.0 12.9 33.3 -18.5 100 162 A I H X S+ 0 0 3 -4,-3.3 4,-1.3 1,-0.2 3,-0.3 0.947 106.5 52.6 -57.3 -45.2 15.0 36.2 -17.1 101 163 A G H >< S+ 0 0 54 -4,-2.4 3,-0.6 1,-0.2 4,-0.3 0.945 109.1 50.7 -57.5 -40.7 14.8 37.9 -20.6 102 164 A Q H 3< S+ 0 0 120 -4,-2.1 -1,-0.2 1,-0.2 3,-0.2 0.819 118.6 34.1 -66.9 -31.3 11.0 37.5 -20.6 103 165 A V H >< S+ 0 0 10 -4,-1.9 3,-2.8 -3,-0.3 4,-0.3 0.371 83.6 106.8-103.6 6.2 10.4 39.0 -17.1 104 166 A R G X< S+ 0 0 60 -4,-1.3 3,-1.0 -3,-0.6 -1,-0.1 0.790 79.8 52.8 -55.0 -37.1 13.1 41.6 -17.1 105 167 A D G 3 S+ 0 0 106 -4,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.240 93.0 75.3 -81.2 8.2 10.6 44.4 -17.6 106 168 A Q G < S+ 0 0 131 -3,-2.8 2,-0.3 1,-0.1 -1,-0.2 0.453 103.4 31.2 -98.2 1.4 8.6 43.2 -14.6 107 169 A A S < S- 0 0 21 -3,-1.0 -1,-0.1 -4,-0.3 6,-0.0 -0.985 70.1-132.4-151.3 156.1 11.0 44.6 -12.2 108 170 A E S S+ 0 0 163 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.952 90.9 55.5 -69.5 -53.0 13.5 47.5 -11.9 109 171 A H S >> S- 0 0 102 1,-0.1 4,-2.0 4,-0.0 3,-0.7 -0.581 74.9-136.0 -91.5 144.1 16.4 45.5 -10.7 110 172 A L H 3> S+ 0 0 4 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.872 105.4 61.9 -58.5 -37.3 18.0 42.4 -12.3 111 173 A K H 3> S+ 0 0 135 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.895 104.3 48.3 -60.1 -35.2 18.1 40.7 -8.9 112 174 A T H <> S+ 0 0 62 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.941 110.5 50.6 -66.1 -50.6 14.3 40.8 -8.7 113 175 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.894 105.5 57.5 -59.0 -33.5 13.9 39.4 -12.2 114 176 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.919 108.1 45.4 -60.5 -48.9 16.3 36.6 -11.3 115 177 A Q H X S+ 0 0 75 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.877 110.3 53.7 -70.1 -23.9 14.1 35.5 -8.5 116 178 A M H X S+ 0 0 57 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.926 110.0 50.4 -66.3 -35.3 10.9 35.8 -10.6 117 179 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.927 108.6 49.6 -69.4 -38.5 12.7 33.6 -13.1 118 180 A V H X S+ 0 0 14 -4,-2.4 4,-2.7 -5,-0.2 -90,-0.2 0.938 111.3 50.8 -61.6 -47.2 13.6 31.0 -10.4 119 181 A F H X S+ 0 0 128 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.944 113.1 44.3 -55.5 -44.0 10.0 31.0 -9.3 120 182 A I H X S+ 0 0 53 -4,-2.9 4,-1.3 1,-0.2 3,-0.3 0.915 114.7 49.3 -70.4 -47.1 8.6 30.5 -12.8 121 183 A H H >< S+ 0 0 1 -4,-3.0 3,-0.7 -5,-0.2 11,-0.5 0.960 111.7 47.3 -52.9 -48.5 11.2 27.8 -13.5 122 184 A N H 3< S+ 0 0 18 -4,-2.7 11,-2.7 -5,-0.3 12,-0.4 0.792 115.8 43.9 -72.0 -24.5 10.6 25.8 -10.3 123 185 A K H 3< S+ 0 0 129 -4,-1.6 2,-0.3 -3,-0.3 -1,-0.2 0.550 83.2 115.5 -94.3 -10.0 6.8 25.8 -10.6 124 186 A K << - 0 0 86 -4,-1.3 8,-0.5 -3,-0.7 2,-0.4 -0.353 62.1-139.7 -69.2 119.8 6.6 25.0 -14.4 125 187 A R - 0 0 168 -2,-0.3 2,-0.6 6,-0.2 6,-0.2 -0.642 14.6-160.2 -82.2 133.8 5.0 21.6 -14.9 126 188 A K 0 0 82 4,-1.7 4,-0.3 -2,-0.4 -1,-0.0 -0.875 360.0 360.0-118.2 90.2 6.8 19.8 -17.6 127 189 A G 0 0 110 -2,-0.6 -2,-0.0 2,-0.3 4,-0.0 -0.762 360.0 360.0-172.3 360.0 4.6 17.0 -19.1 128 ! 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 0.0 129 193 A G 0 0 60 0, 0.0 -2,-0.3 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 62.8 4.3 16.3 -16.0 130 194 A Y - 0 0 156 -4,-0.3 -4,-1.7 -5,-0.2 2,-0.2 -0.253 360.0-108.2 -80.2 167.8 5.4 17.6 -12.6 131 195 A S > - 0 0 8 -6,-0.2 4,-2.4 1,-0.1 -6,-0.2 -0.555 28.4-108.8 -90.6 167.1 7.5 20.7 -11.8 132 196 A A H > S+ 0 0 2 -11,-0.5 4,-2.9 -8,-0.5 -105,-0.3 0.888 122.1 54.1 -59.2 -39.2 11.1 20.7 -10.7 133 197 A G H > S+ 0 0 18 -11,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.850 109.5 46.6 -60.5 -47.9 9.9 21.9 -7.3 134 198 A E H > S+ 0 0 55 -12,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.916 112.7 51.2 -59.8 -40.3 7.5 18.9 -7.1 135 199 A R H X S+ 0 0 66 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.906 106.7 51.8 -67.0 -40.1 10.3 16.5 -8.2 136 200 A I H X S+ 0 0 1 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.933 111.6 46.6 -66.5 -37.6 12.8 17.6 -5.7 137 201 A V H X S+ 0 0 82 -4,-1.5 4,-2.7 -5,-0.2 5,-0.3 0.939 113.8 48.3 -69.6 -37.1 10.5 17.2 -2.8 138 202 A D H X S+ 0 0 102 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.931 113.3 48.5 -63.1 -47.1 9.4 13.7 -4.0 139 203 A I H X S+ 0 0 46 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.947 116.6 41.4 -59.1 -50.4 13.0 12.6 -4.5 140 204 A I H X S+ 0 0 18 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.912 115.2 49.1 -66.3 -42.5 14.1 13.8 -1.1 141 205 A A H X S+ 0 0 46 -4,-2.7 4,-1.7 -5,-0.3 -2,-0.2 0.928 113.4 48.1 -63.3 -41.1 11.0 12.5 0.7 142 206 A T H < S+ 0 0 89 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.942 112.0 50.7 -61.9 -43.3 11.4 9.2 -1.0 143 207 A D H < S+ 0 0 86 -4,-2.4 3,-0.4 -5,-0.3 -1,-0.2 0.867 105.5 55.5 -62.5 -40.3 15.1 9.1 -0.1 144 208 A I H < S+ 0 0 128 -4,-2.4 2,-2.4 1,-0.3 -1,-0.2 0.930 98.2 62.9 -57.7 -51.1 14.4 9.9 3.6 145 209 A Q < 0 0 160 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.1 -0.296 360.0 360.0 -78.7 59.5 12.2 6.9 4.0 146 210 A T 0 0 120 -2,-2.4 -1,-0.1 -3,-0.4 -4,-0.0 -0.697 360.0 360.0 80.8 360.0 14.9 4.4 3.3