==== 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 19-FEB-99 1B92 . COMPND 2 MOLECULE: PROTEIN (INTEGRASE); . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS; . AUTHOR J.GREENWALD,V.LE,S.L.BUTLER,F.D.BUSHMAN,S.CHOE . 144 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8125.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 75.7 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 . 14 9.7 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 1 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 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 56 A C 0 0 93 0, 0.0 24,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 173.8 20.5 11.0 -10.4 2 57 A S > - 0 0 65 1,-0.1 3,-1.1 2,-0.1 23,-0.4 -0.288 360.0-132.4 -54.8 134.7 21.9 10.8 -6.9 3 58 A P T 3 S+ 0 0 32 0, 0.0 -1,-0.1 0, 0.0 23,-0.1 0.581 98.3 57.2 -72.5 -11.1 19.7 13.1 -4.8 4 59 A G T 3 S+ 0 0 9 51,-0.1 53,-2.3 49,-0.0 52,-1.9 0.295 82.4 110.1-100.4 8.6 22.6 14.9 -2.9 5 60 A I E < +a 57 0A 25 -3,-1.1 19,-1.3 51,-0.2 20,-0.4 -0.732 40.6 174.0 -96.9 129.2 24.2 16.2 -6.2 6 61 A W E -aB 58 23A 1 51,-2.0 53,-2.9 -2,-0.5 2,-0.4 -0.911 21.8-142.2-128.3 153.2 24.1 19.9 -7.1 7 62 A Q E -aB 59 22A 0 15,-2.3 15,-2.8 -2,-0.3 2,-0.4 -0.982 17.9-168.3-118.0 131.5 25.7 21.9 -9.8 8 63 A L E + B 0 21A 8 51,-3.0 54,-0.3 -2,-0.4 53,-0.3 -0.979 17.5 145.8-128.0 128.2 27.0 25.4 -9.2 9 64 A D E - B 0 20A 18 11,-2.0 11,-3.2 -2,-0.4 2,-0.3 -0.957 35.4-126.6-144.5 167.8 28.1 28.0 -11.6 10 65 A C E - B 0 19A 23 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.890 20.9-171.6-116.0 149.7 28.2 31.8 -12.1 11 66 A T E - B 0 18A 35 7,-2.3 7,-2.6 -2,-0.3 2,-0.4 -0.822 17.2-128.3-126.8 171.6 26.9 33.6 -15.2 12 67 A H E + B 0 17A 102 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.936 29.9 159.6-125.4 143.7 27.1 37.3 -16.1 13 68 A L E > S- B 0 16A 45 3,-1.9 3,-2.1 -2,-0.4 -2,-0.0 -0.919 70.9 -5.1-163.4 125.3 24.4 39.7 -17.1 14 69 A E T 3 S- 0 0 101 -2,-0.3 3,-0.1 1,-0.3 96,-0.1 0.753 126.0 -57.9 61.3 27.2 24.3 43.5 -17.1 15 70 A G T 3 S+ 0 0 88 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.656 117.3 106.8 80.5 5.7 27.8 43.7 -15.4 16 71 A K E < -B 13 0A 100 -3,-2.1 -3,-1.9 20,-0.0 2,-0.5 -0.853 67.8-119.3-118.4 166.0 26.5 41.7 -12.4 17 72 A V E -BC 12 34A 13 17,-1.2 17,-2.5 -2,-0.3 2,-0.6 -0.855 17.0-162.5-109.1 132.0 27.1 38.1 -11.3 18 73 A I E -BC 11 33A 0 -7,-2.6 -7,-2.3 -2,-0.5 2,-0.5 -0.950 7.4-154.0-116.4 116.1 24.5 35.5 -11.0 19 74 A L E -BC 10 32A 1 13,-2.7 13,-1.7 -2,-0.6 2,-0.5 -0.796 17.1-168.0 -88.2 125.2 25.3 32.4 -8.9 20 75 A V E -BC 9 31A 1 -11,-3.2 -11,-2.0 -2,-0.5 2,-0.4 -0.959 10.2-171.8-122.3 121.3 23.1 29.5 -10.1 21 76 A A E -BC 8 30A 0 9,-3.2 9,-2.1 -2,-0.5 2,-0.5 -0.917 6.2-167.0-110.2 135.0 22.7 26.2 -8.3 22 77 A V E -BC 7 29A 0 -15,-2.8 -15,-2.3 -2,-0.4 2,-1.0 -0.985 22.0-137.1-123.0 128.2 20.9 23.3 -9.9 23 78 A H E >> -B 6 0A 0 5,-2.7 4,-2.7 -2,-0.5 3,-0.9 -0.734 25.7-149.1 -79.0 106.8 19.7 20.2 -8.2 24 79 A V T 34 S+ 0 0 35 -19,-1.3 -1,-0.2 -2,-1.0 -18,-0.1 0.843 86.4 50.2 -50.8 -48.2 20.8 17.7 -10.9 25 80 A A T 34 S+ 0 0 28 -23,-0.4 -1,-0.2 -20,-0.4 -19,-0.1 0.734 125.1 24.6 -65.7 -29.1 18.1 15.0 -10.4 26 81 A S T <4 S- 0 0 4 -3,-0.9 -1,-0.2 2,-0.1 -2,-0.2 0.647 93.7-123.1-109.1 -20.7 15.1 17.4 -10.5 27 82 A G < + 0 0 1 -4,-2.7 105,-0.1 1,-0.3 -3,-0.1 0.424 57.8 151.8 87.2 0.4 16.1 20.6 -12.4 28 83 A Y - 0 0 39 -5,-0.5 -5,-2.7 104,-0.3 2,-0.3 -0.400 29.4-153.5 -66.5 138.1 15.2 22.7 -9.3 29 84 A I E -C 22 0A 0 89,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.891 20.8-172.9-121.4 152.4 17.2 26.0 -9.1 30 85 A E E +C 21 0A 39 -9,-2.1 -9,-3.2 -2,-0.3 2,-0.3 -0.994 20.2 176.5-131.6 132.4 18.4 28.3 -6.4 31 86 A A E -C 20 0A 4 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.951 16.7-173.3-138.0 161.0 20.1 31.6 -7.4 32 87 A E E -C 19 0A 71 -13,-1.7 -13,-2.7 -2,-0.3 2,-0.6 -0.987 26.2-128.7-144.7 149.6 21.5 34.8 -5.9 33 88 A V E -C 18 0A 29 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.0 -0.936 35.8-161.6-100.3 118.2 22.8 38.0 -7.6 34 89 A I E -C 17 0A 10 -17,-2.5 -17,-1.2 -2,-0.6 3,-0.1 -0.735 27.1-129.0-109.2 154.3 26.2 38.6 -6.0 35 90 A P S S- 0 0 105 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.933 89.4 -8.3 -64.2 -41.6 28.3 41.7 -5.9 36 91 A A S S- 0 0 44 -20,-0.1 2,-1.5 2,-0.1 5,-0.1 -0.989 74.8 -97.7-153.7 158.3 31.4 39.9 -7.3 37 92 A E + 0 0 84 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.656 67.0 149.7 -73.2 87.5 32.6 36.4 -8.1 38 93 A T > - 0 0 53 -2,-1.5 4,-2.1 1,-0.1 5,-0.2 -0.918 61.6-120.4-124.0 162.7 34.6 35.7 -4.8 39 94 A G H > S+ 0 0 16 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.909 115.0 56.6 -58.4 -43.1 35.5 32.8 -2.7 40 95 A Q H > S+ 0 0 115 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 108.0 46.1 -56.4 -45.0 33.6 34.4 0.2 41 96 A E H > S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.905 113.5 48.5 -69.0 -42.2 30.4 34.6 -1.8 42 97 A T H X S+ 0 0 11 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.927 112.4 48.3 -63.5 -43.7 30.6 31.1 -3.0 43 98 A A H X S+ 0 0 7 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.942 112.9 48.4 -63.4 -43.6 31.4 29.7 0.5 44 99 A Y H X S+ 0 0 137 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.914 112.2 48.6 -63.2 -40.8 28.4 31.7 2.0 45 100 A F H X S+ 0 0 8 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.929 111.1 50.9 -66.5 -43.9 26.1 30.5 -0.8 46 101 A L H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.874 109.9 48.9 -58.7 -48.0 27.2 26.9 -0.2 47 102 A L H X S+ 0 0 75 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.893 112.9 47.9 -60.4 -41.7 26.6 27.0 3.5 48 103 A K H >X S+ 0 0 49 -4,-2.1 3,-0.7 -5,-0.2 4,-0.7 0.966 112.1 49.1 -61.5 -53.1 23.2 28.5 3.1 49 104 A L H >X S+ 0 0 3 -4,-2.8 4,-2.4 1,-0.2 3,-1.3 0.924 109.5 51.9 -52.0 -49.7 22.3 25.9 0.4 50 105 A A H 3< S+ 0 0 27 -4,-2.5 5,-0.3 1,-0.2 -1,-0.2 0.743 104.8 55.9 -66.4 -17.3 23.5 23.0 2.7 51 106 A G H << S+ 0 0 63 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.604 115.1 40.3 -85.8 -11.9 21.3 24.2 5.6 52 107 A R H << S+ 0 0 159 -3,-1.3 -2,-0.2 -4,-0.7 -3,-0.1 0.751 123.7 22.8-102.7 -36.8 18.3 24.0 3.4 53 108 A W S < S- 0 0 45 -4,-2.4 2,-1.7 -49,-0.0 -1,-0.3 -0.925 89.2 -96.0-131.2 156.5 18.8 20.8 1.3 54 109 A P - 0 0 72 0, 0.0 2,-0.8 0, 0.0 -4,-0.1 -0.530 47.8-170.0 -75.9 89.2 20.8 17.6 1.9 55 110 A V + 0 0 15 -2,-1.7 -50,-0.1 -5,-0.3 -51,-0.1 -0.660 21.8 158.3 -87.2 110.0 23.9 18.6 -0.1 56 111 A K + 0 0 50 -52,-1.9 25,-2.4 -2,-0.8 2,-0.3 0.863 65.9 7.9 -94.8 -51.1 26.3 15.7 -0.5 57 112 A T E -ad 5 81A 25 -53,-2.3 -51,-2.0 23,-0.2 2,-0.4 -0.970 59.0-155.4-137.6 150.1 28.3 16.6 -3.6 58 113 A V E -ad 6 82A 4 23,-1.8 25,-2.7 -2,-0.3 2,-0.3 -0.998 8.2-169.2-127.5 132.8 28.7 19.7 -5.7 59 114 A H E -a 7 0A 63 -53,-2.9 -51,-3.0 -2,-0.4 2,-0.3 -0.837 6.6-178.9-115.7 154.2 29.9 19.9 -9.4 60 115 A T - 0 0 9 -2,-0.3 3,-0.2 -53,-0.2 -51,-0.2 -0.968 34.9-133.6-145.1 162.4 30.8 23.0 -11.4 61 116 A D S S+ 0 0 111 -53,-0.3 2,-0.3 -2,-0.3 -52,-0.1 0.348 104.2 56.1 -95.9 -1.6 32.0 23.7 -15.0 62 117 A N > - 0 0 72 -54,-0.3 3,-2.5 1,-0.1 4,-0.2 -0.699 66.8-177.4-130.4 86.2 34.7 26.0 -13.5 63 118 A G G > S+ 0 0 38 1,-0.3 3,-1.9 -2,-0.3 -1,-0.1 0.804 78.7 66.9 -55.6 -32.7 36.8 23.9 -11.1 64 119 A S G > S+ 0 0 77 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.730 83.3 76.7 -65.2 -16.9 39.0 26.9 -10.1 65 120 A N G < S+ 0 0 35 -3,-2.5 -1,-0.3 1,-0.3 3,-0.2 0.713 97.1 48.0 -57.9 -30.2 35.8 28.4 -8.5 66 121 A F G < S+ 0 0 16 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.179 85.0 88.3-101.8 18.2 36.3 25.9 -5.6 67 122 A T < + 0 0 88 -3,-1.5 -1,-0.1 4,-0.1 -2,-0.1 0.577 58.7 104.8 -94.9 -11.1 40.0 26.2 -4.7 68 123 A S S > S- 0 0 39 -3,-0.2 4,-2.5 -4,-0.2 5,-0.2 -0.312 77.3-119.5 -69.2 157.1 40.1 29.0 -2.2 69 124 A T H > S+ 0 0 119 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.933 113.8 56.1 -54.4 -48.0 40.6 28.4 1.5 70 125 A T H > S+ 0 0 53 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.905 108.9 44.1 -56.3 -49.2 37.2 30.0 2.1 71 126 A V H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.941 113.5 50.4 -64.3 -45.8 35.3 27.7 -0.2 72 127 A K H X S+ 0 0 128 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.870 108.6 53.3 -62.6 -29.6 37.1 24.5 1.1 73 128 A A H X S+ 0 0 50 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.894 108.2 50.0 -69.9 -38.8 36.3 25.6 4.7 74 129 A A H X S+ 0 0 12 -4,-1.8 4,-2.5 -5,-0.2 6,-0.2 0.939 113.7 45.2 -63.8 -45.8 32.6 25.9 3.9 75 130 A C H X>S+ 0 0 25 -4,-2.4 5,-2.6 1,-0.2 4,-1.1 0.931 112.7 51.8 -63.7 -44.4 32.6 22.4 2.3 76 131 A W H ><5S+ 0 0 197 -4,-2.9 3,-0.7 -5,-0.2 -2,-0.2 0.963 113.2 43.6 -51.5 -53.4 34.6 21.0 5.2 77 132 A W H 3<5S+ 0 0 186 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.931 117.5 45.0 -64.4 -41.2 32.2 22.4 7.8 78 133 A A H 3<5S- 0 0 29 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.604 111.1-116.4 -84.2 -3.9 29.1 21.4 5.9 79 134 A G T <<5 + 0 0 58 -4,-1.1 2,-0.4 -3,-0.7 -3,-0.2 0.852 61.0 154.4 78.3 28.2 30.3 17.9 5.0 80 135 A I < - 0 0 9 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.810 25.7-163.8 -95.5 139.5 30.3 18.6 1.3 81 136 A K E -d 57 0A 155 -25,-2.4 -23,-1.8 -2,-0.4 2,-0.4 -0.788 28.3-105.2-115.6 158.2 32.5 16.8 -1.2 82 137 A Q E -d 58 0A 82 -2,-0.3 2,-0.5 -25,-0.2 -23,-0.2 -0.674 38.3-116.7 -80.4 133.7 33.3 17.8 -4.8 83 138 A E + 0 0 43 -25,-2.7 -23,-0.2 -2,-0.4 -1,-0.1 -0.619 33.0 176.8 -78.4 121.1 31.5 15.7 -7.4 84 139 A F 0 0 191 -2,-0.5 -1,-0.1 1,-0.2 -25,-0.0 0.225 360.0 360.0-103.7 9.1 33.9 13.7 -9.5 85 140 A G 0 0 95 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.403 360.0 360.0-118.5 360.0 31.2 11.9 -11.6 86 ! 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 87 149 A A > 0 0 117 0, 0.0 4,-2.9 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -29.5 21.9 17.7 -20.7 88 150 A V H > + 0 0 36 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.922 360.0 45.1 -43.0 -64.6 19.9 18.8 -17.6 89 151 A I H > S+ 0 0 34 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.827 114.1 49.5 -53.4 -39.6 22.3 21.4 -16.4 90 152 A E H > S+ 0 0 154 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.922 114.4 46.6 -68.6 -39.0 22.7 22.9 -19.9 91 153 A S H X S+ 0 0 52 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.975 113.0 45.9 -65.8 -56.9 18.9 23.0 -20.3 92 154 A M H X S+ 0 0 22 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.849 115.0 47.4 -56.4 -42.4 18.0 24.5 -16.9 93 155 A N H >X S+ 0 0 32 -4,-1.8 4,-1.4 -5,-0.3 3,-0.9 0.987 113.9 46.2 -66.8 -48.9 20.7 27.2 -17.2 94 156 A K H 3X S+ 0 0 71 -4,-2.2 4,-1.4 1,-0.3 -2,-0.2 0.918 111.5 54.7 -52.5 -48.1 19.7 28.1 -20.8 95 157 A E H 3X S+ 0 0 41 -4,-3.0 4,-1.8 -5,-0.2 -1,-0.3 0.854 102.1 58.3 -53.5 -39.1 16.2 28.1 -19.6 96 158 A L H X S+ 0 0 16 -4,-2.4 3,-3.5 -3,-0.2 4,-0.5 0.500 85.8 107.0-100.8 0.5 10.3 39.3 -17.1 104 166 A R G >< S+ 0 0 61 -4,-1.4 3,-1.0 -3,-0.4 -1,-0.2 0.803 80.6 50.0 -48.9 -40.3 13.2 41.9 -17.1 105 167 A D G 34 S+ 0 0 109 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.412 96.6 71.9 -78.4 0.0 10.8 44.8 -17.6 106 168 A Q G <4 S+ 0 0 154 -3,-3.5 2,-0.3 1,-0.1 -1,-0.2 0.556 102.5 42.7 -91.0 -7.8 8.5 43.6 -14.8 107 169 A A << - 0 0 17 -3,-1.0 -1,-0.1 -4,-0.5 6,-0.0 -0.990 69.4-140.3-136.6 148.2 11.1 44.7 -12.2 108 170 A E S S+ 0 0 83 -2,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.968 88.5 52.8 -67.9 -51.5 13.4 47.7 -11.8 109 171 A H S >> S- 0 0 124 1,-0.1 4,-1.9 4,-0.0 3,-0.6 -0.645 76.3-132.9 -95.1 148.5 16.3 45.7 -10.6 110 172 A L H 3> S+ 0 0 4 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.882 105.9 59.3 -56.0 -43.3 18.1 42.7 -12.1 111 173 A K H 3> S+ 0 0 134 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.884 105.4 49.5 -59.0 -39.0 18.1 40.8 -8.8 112 174 A T H <> S+ 0 0 61 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.946 110.3 49.9 -61.8 -51.7 14.3 40.9 -8.6 113 175 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.912 107.8 55.4 -51.9 -40.7 13.9 39.7 -12.2 114 176 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.949 109.4 45.2 -59.1 -46.7 16.3 36.8 -11.3 115 177 A Q H X S+ 0 0 74 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.871 110.3 54.6 -69.9 -33.1 14.1 35.7 -8.4 116 178 A M H X S+ 0 0 55 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.949 110.2 47.7 -63.1 -35.8 11.0 36.0 -10.6 117 179 A A H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 5,-0.2 0.918 109.1 52.1 -72.9 -36.6 12.7 33.7 -13.1 118 180 A V H X S+ 0 0 14 -4,-2.5 4,-2.9 -5,-0.2 -89,-0.2 0.960 111.7 47.6 -59.5 -48.2 13.7 31.2 -10.4 119 181 A F H X S+ 0 0 126 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.945 114.2 46.1 -58.7 -50.8 10.0 31.2 -9.2 120 182 A I H X S+ 0 0 54 -4,-3.0 4,-1.5 1,-0.2 3,-0.5 0.965 114.2 49.0 -57.9 -51.0 8.7 30.7 -12.8 121 183 A H H < S+ 0 0 1 -4,-3.4 11,-0.5 1,-0.2 3,-0.4 0.917 111.5 47.2 -54.9 -48.8 11.3 28.1 -13.5 122 184 A N H < S+ 0 0 17 -4,-2.9 11,-2.5 -5,-0.2 12,-0.4 0.764 114.6 45.9 -68.9 -27.2 10.6 26.0 -10.4 123 185 A K H < S+ 0 0 130 -4,-1.6 2,-0.3 -3,-0.5 -1,-0.2 0.655 80.7 116.2 -91.2 -13.0 6.8 26.0 -10.7 124 186 A K < - 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