==== 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 1HYZ . 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) . 8139.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 76.4 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 . 19 13.2 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 . 15 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 40.3 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 1 1 1 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 . 1 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 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 0 103 0, 0.0 3,-1.5 0, 0.0 23,-0.5 0.000 360.0 360.0 360.0 119.2 21.5 10.9 -6.9 2 58 A P T 3 + 0 0 33 0, 0.0 138,-0.1 0, 0.0 23,-0.1 0.659 360.0 48.5 -57.1 -25.8 19.5 13.0 -4.5 3 59 A G T 3 S+ 0 0 10 51,-0.1 53,-2.1 49,-0.0 52,-2.0 0.219 81.7 110.8-100.7 10.9 22.4 15.0 -3.0 4 60 A I E < +a 56 0A 30 -3,-1.5 19,-1.4 51,-0.2 20,-0.4 -0.781 40.0 175.9 -96.5 131.4 24.2 16.1 -6.2 5 61 A W E -aB 57 22A 2 51,-2.4 53,-3.5 -2,-0.5 2,-0.4 -0.900 20.4-143.9-125.2 156.9 24.1 19.8 -7.1 6 62 A Q E -aB 58 21A 5 15,-1.9 15,-2.6 -2,-0.3 2,-0.4 -0.985 16.9-167.3-120.8 133.4 25.7 21.8 -9.9 7 63 A L E + B 0 20A 1 51,-3.2 53,-0.5 -2,-0.4 54,-0.4 -0.983 16.9 147.7-129.0 135.5 27.0 25.3 -9.3 8 64 A D E - B 0 19A 16 11,-2.2 11,-3.0 -2,-0.4 2,-0.3 -0.941 35.0-124.1-147.1 168.7 28.1 27.9 -11.8 9 65 A X E - B 0 18A 24 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.842 21.4-170.8-111.6 157.3 28.1 31.7 -12.3 10 66 A T E - B 0 17A 24 7,-2.3 7,-2.9 -2,-0.3 2,-0.4 -0.962 16.3-130.9-142.8 151.8 26.7 33.5 -15.3 11 67 A H E + B 0 16A 102 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.871 28.6 162.1-112.8 144.3 27.0 37.2 -16.2 12 68 A L E > - B 0 15A 47 3,-2.1 3,-2.5 -2,-0.4 -2,-0.0 -0.942 69.4 -7.5-161.5 125.3 24.2 39.6 -17.2 13 69 A E T 3 S- 0 0 96 -2,-0.3 3,-0.1 1,-0.3 97,-0.1 0.770 127.6 -54.3 57.3 33.7 24.2 43.4 -17.3 14 70 A G T 3 S+ 0 0 88 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.630 118.4 110.7 78.2 7.1 27.7 43.7 -15.7 15 71 A K E < -B 12 0A 96 -3,-2.5 -3,-2.1 20,-0.0 2,-0.5 -0.825 64.6-125.2-118.3 158.9 26.4 41.5 -12.8 16 72 A V E -BC 11 33A 14 17,-0.8 17,-2.6 -2,-0.3 2,-0.5 -0.858 17.4-167.6-102.5 134.7 27.1 38.1 -11.5 17 73 A I E -BC 10 32A 0 -7,-2.9 -7,-2.3 -2,-0.5 2,-0.5 -0.940 10.3-150.9-117.4 126.6 24.5 35.4 -10.9 18 74 A L E -BC 9 31A 0 13,-3.1 13,-1.8 -2,-0.5 2,-0.5 -0.802 17.4-168.5 -94.5 130.3 25.2 32.3 -9.0 19 75 A V E -BC 8 30A 0 -11,-3.0 -11,-2.2 -2,-0.5 2,-0.4 -0.986 9.4-171.9-125.7 124.6 23.1 29.4 -10.2 20 76 A A E -BC 7 29A 0 9,-3.4 9,-2.2 -2,-0.5 2,-0.4 -0.938 6.6-165.2-115.2 136.1 22.8 26.1 -8.4 21 77 A V E -BC 6 28A 1 -15,-2.6 -15,-1.9 -2,-0.4 2,-0.9 -0.979 20.7-136.8-120.3 125.1 20.9 23.2 -10.0 22 78 A H E >>> -BC 5 27A 1 5,-3.1 4,-2.9 -2,-0.4 3,-0.8 -0.773 25.2-150.1 -78.0 114.0 19.7 20.1 -8.2 23 79 A V T 345S+ 0 0 52 -19,-1.4 -1,-0.2 -2,-0.9 -18,-0.1 0.910 85.7 52.1 -56.6 -46.3 20.7 17.6 -10.9 24 80 A A T 345S+ 0 0 44 -23,-0.5 -1,-0.2 -20,-0.4 -19,-0.1 0.748 126.3 22.8 -67.4 -20.2 18.1 14.8 -10.4 25 81 A S T <45S- 0 0 5 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.632 93.8-122.0-119.9 -19.3 15.2 17.3 -10.6 26 82 A G T <5 + 0 0 4 -4,-2.9 106,-0.1 1,-0.3 -3,-0.1 0.425 58.4 151.8 82.2 8.0 16.2 20.4 -12.5 27 83 A Y E < -C 22 0A 32 -5,-0.5 -5,-3.1 105,-0.3 2,-0.4 -0.329 28.3-155.3 -75.3 141.0 15.3 22.6 -9.4 28 84 A I E -C 21 0A 0 -7,-0.2 2,-0.4 90,-0.2 -7,-0.2 -0.900 23.5-172.6-123.8 154.0 17.2 25.8 -9.1 29 85 A E E +C 20 0A 42 -9,-2.2 -9,-3.4 -2,-0.4 2,-0.3 -0.993 21.5 174.7-132.4 132.3 18.4 28.3 -6.6 30 86 A A E -C 19 0A 2 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.868 12.4-175.5-137.6 161.0 20.1 31.5 -7.7 31 87 A E E -C 18 0A 70 -13,-1.8 -13,-3.1 -2,-0.3 2,-0.5 -0.952 27.7-125.2-150.6 150.4 21.4 34.7 -6.2 32 88 A V E -C 17 0A 29 -2,-0.3 -15,-0.2 -15,-0.2 3,-0.0 -0.843 36.0-159.9 -95.0 126.0 22.9 37.9 -7.7 33 89 A I E -C 16 0A 10 -17,-2.6 -17,-0.8 -2,-0.5 3,-0.1 -0.791 24.6-129.0-112.8 153.6 26.2 38.4 -6.0 34 90 A P S S- 0 0 111 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.922 90.7 -3.9 -61.2 -45.1 28.3 41.6 -5.7 35 91 A A S S- 0 0 44 2,-0.1 2,-1.5 -20,-0.1 5,-0.1 -0.978 74.0-105.9-148.2 160.3 31.4 39.9 -7.0 36 92 A E + 0 0 84 -2,-0.3 2,-0.1 -3,-0.1 -27,-0.0 -0.274 67.9 147.0 -82.4 48.8 32.6 36.4 -8.0 37 93 A T > - 0 0 52 -2,-1.5 4,-2.0 1,-0.1 3,-0.2 -0.395 63.9-115.5 -89.4 166.5 34.6 35.8 -4.8 38 94 A G H > S+ 0 0 15 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.935 116.2 55.8 -58.9 -45.5 35.5 32.8 -2.7 39 95 A Q H > S+ 0 0 115 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.869 107.2 48.4 -51.7 -46.0 33.6 34.3 0.2 40 96 A E H > S+ 0 0 53 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.917 113.6 46.2 -67.6 -39.9 30.4 34.7 -1.9 41 97 A T H X S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.890 113.3 48.7 -71.5 -46.5 30.6 31.1 -3.1 42 98 A A H X S+ 0 0 10 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.929 113.0 48.5 -53.1 -49.4 31.3 29.7 0.4 43 99 A Y H X S+ 0 0 137 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.917 111.0 49.4 -57.4 -47.2 28.4 31.7 1.8 44 100 A F H X S+ 0 0 9 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.937 111.8 50.1 -60.9 -47.4 26.0 30.5 -0.9 45 101 A L H X S+ 0 0 1 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.879 108.8 50.4 -57.6 -48.3 27.1 26.9 -0.3 46 102 A L H X S+ 0 0 75 -4,-2.6 4,-1.5 2,-0.2 5,-0.2 0.959 113.3 47.5 -59.5 -40.2 26.6 27.1 3.5 47 103 A K H < S+ 0 0 49 -4,-2.6 4,-0.5 -5,-0.2 3,-0.4 0.933 112.5 47.9 -63.0 -50.3 23.1 28.6 2.9 48 104 A L H >X S+ 0 0 3 -4,-2.7 4,-2.3 1,-0.2 3,-1.2 0.929 109.4 53.5 -56.5 -52.4 22.2 25.9 0.3 49 105 A A H 3< S+ 0 0 26 -4,-3.0 5,-0.4 1,-0.2 -1,-0.2 0.791 105.0 53.7 -62.9 -14.8 23.5 23.1 2.6 50 106 A G T 3< S+ 0 0 66 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.515 116.2 41.3 -89.4 -7.4 21.2 24.2 5.5 51 107 A R T <4 S+ 0 0 154 -3,-1.2 -2,-0.2 -4,-0.5 -1,-0.2 0.753 123.4 21.9-106.5 -32.9 18.3 24.1 3.3 52 108 A W S < S- 0 0 50 -4,-2.3 2,-1.1 -5,-0.1 -1,-0.4 -0.955 90.3 -95.3-137.2 156.2 18.7 20.9 1.2 53 109 A P - 0 0 71 0, 0.0 2,-0.8 0, 0.0 -4,-0.1 -0.599 47.7-169.5 -71.4 96.4 20.8 17.8 1.8 54 110 A V + 0 0 15 -2,-1.1 -50,-0.1 -5,-0.4 3,-0.1 -0.801 22.9 155.1 -96.9 109.8 23.9 18.7 -0.1 55 111 A K + 0 0 53 -52,-2.0 25,-2.7 -2,-0.8 2,-0.4 0.884 66.3 11.8 -94.2 -48.9 26.3 15.8 -0.6 56 112 A T E -ad 4 80A 28 -53,-2.1 -51,-2.4 23,-0.2 2,-0.5 -0.965 60.1-154.6-136.2 141.1 28.3 16.7 -3.7 57 113 A V E -ad 5 81A 0 23,-2.3 25,-2.0 -2,-0.4 2,-0.3 -0.979 8.6-166.2-118.2 126.7 28.7 19.8 -5.7 58 114 A H E +a 6 0A 57 -53,-3.5 -51,-3.2 -2,-0.5 2,-0.3 -0.771 10.8 179.2-103.1 151.6 29.7 19.8 -9.4 59 115 A T - 0 0 11 -2,-0.3 3,-0.2 23,-0.2 -51,-0.2 -0.963 36.0-136.7-145.5 161.3 30.8 22.9 -11.3 60 116 A D S S+ 0 0 113 -53,-0.5 2,-0.3 -2,-0.3 -52,-0.1 0.455 101.6 55.9 -97.8 -3.7 32.0 23.8 -14.8 61 117 A N > - 0 0 77 -54,-0.4 3,-2.6 1,-0.1 4,-0.2 -0.684 65.8-176.7-130.4 86.8 34.8 26.0 -13.4 62 118 A G G > S+ 0 0 42 1,-0.3 3,-1.8 -2,-0.3 -1,-0.1 0.793 78.5 65.3 -48.5 -31.3 36.9 23.9 -11.0 63 119 A S G > S+ 0 0 76 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.701 84.6 74.3 -76.5 -16.3 39.1 26.8 -10.0 64 120 A N G < S+ 0 0 28 -3,-2.6 -1,-0.3 1,-0.3 3,-0.3 0.614 95.9 52.5 -58.7 -27.8 36.1 28.5 -8.3 65 121 A F G < S+ 0 0 5 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.031 85.5 85.1-103.6 24.0 36.4 25.8 -5.5 66 122 A T < + 0 0 86 -3,-1.3 -1,-0.1 4,-0.1 -2,-0.1 0.537 59.8 108.1-105.0 -13.1 40.1 26.3 -4.6 67 123 A S S > S- 0 0 34 -3,-0.3 4,-2.2 -4,-0.2 5,-0.1 -0.203 74.7-125.0 -67.3 155.3 39.9 29.2 -2.2 68 124 A T H > S+ 0 0 118 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.941 112.9 56.9 -60.7 -43.9 40.4 28.5 1.5 69 125 A T H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.901 108.2 45.6 -64.2 -32.9 37.1 30.1 2.2 70 126 A V H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.905 113.0 48.3 -75.3 -46.0 35.2 27.6 -0.1 71 127 A K H X S+ 0 0 128 -4,-2.2 4,-3.4 2,-0.2 -1,-0.2 0.914 110.1 53.8 -59.5 -36.5 37.0 24.5 1.2 72 128 A A H X S+ 0 0 50 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.946 109.8 47.1 -64.8 -40.9 36.3 25.7 4.8 73 129 A A H X S+ 0 0 11 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.867 115.5 45.4 -68.7 -42.5 32.6 26.0 4.0 74 130 A X H X>S+ 0 0 18 -4,-2.5 5,-2.5 2,-0.2 4,-0.9 0.879 112.6 51.4 -65.9 -41.9 32.6 22.5 2.4 75 131 A W H ><5S+ 0 0 198 -4,-3.4 3,-0.9 -5,-0.2 -2,-0.2 0.982 114.5 43.3 -53.4 -49.1 34.6 21.0 5.2 76 132 A W H 3<5S+ 0 0 184 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.893 117.1 45.0 -66.0 -45.7 32.1 22.4 7.8 77 133 A A H 3<5S- 0 0 30 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.586 111.0-117.2 -79.9 -6.0 29.0 21.5 5.9 78 134 A G T <<5 + 0 0 56 -4,-0.9 2,-0.4 -3,-0.9 -3,-0.2 0.857 61.4 151.6 84.2 14.1 30.2 18.0 5.0 79 135 A I < - 0 0 7 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.792 27.5-162.1 -88.0 140.5 30.2 18.7 1.2 80 136 A K E -d 56 0A 154 -25,-2.7 -23,-2.3 -2,-0.4 2,-0.5 -0.787 29.0-104.1-114.0 159.7 32.5 16.9 -1.3 81 137 A Q E -d 57 0A 65 -2,-0.3 2,-0.2 -25,-0.2 -23,-0.2 -0.734 39.7-120.5 -82.0 120.8 33.4 17.9 -4.9 82 138 A E - 0 0 42 -25,-2.0 -23,-0.2 -2,-0.5 -1,-0.0 -0.487 27.6-175.5 -66.5 131.2 31.5 15.7 -7.3 83 139 A F 0 0 185 -2,-0.2 -1,-0.1 1,-0.1 -25,-0.0 0.204 360.0 360.0-113.2 16.6 33.8 13.8 -9.6 84 140 A G 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.784 360.0 360.0-112.4 360.0 31.2 12.2 -11.9 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 0 104 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 4.4 25.4 17.1 -18.4 87 149 A G H > + 0 0 54 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.847 360.0 54.3 -62.9 -40.4 22.3 17.7 -20.5 88 150 A V H > S+ 0 0 49 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.944 108.7 47.3 -62.0 -50.6 20.0 18.8 -17.7 89 151 A I H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.868 109.5 52.4 -62.2 -39.1 22.2 21.6 -16.5 90 152 A E H X S+ 0 0 127 -4,-1.6 4,-1.7 2,-0.2 5,-0.3 0.938 113.5 45.6 -64.3 -41.7 22.9 23.1 -19.9 91 153 A S H X S+ 0 0 56 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.944 112.3 51.1 -63.8 -49.5 19.1 23.2 -20.5 92 154 A M H X S+ 0 0 14 -4,-2.9 4,-1.2 2,-0.2 -1,-0.2 0.802 110.5 47.4 -58.4 -38.9 18.4 24.7 -17.1 93 155 A N H >X S+ 0 0 27 -4,-2.2 4,-1.8 2,-0.2 3,-0.5 0.981 114.7 43.1 -72.9 -49.9 21.0 27.6 -17.3 94 156 A K H 3X S+ 0 0 154 -4,-1.7 4,-1.9 1,-0.3 -2,-0.2 0.861 113.5 54.3 -62.2 -35.7 20.0 28.8 -20.9 95 157 A E H 3X S+ 0 0 42 -4,-2.3 4,-2.5 -5,-0.3 5,-0.3 0.867 104.3 55.7 -61.0 -38.3 16.4 28.4 -19.8 96 158 A L H X S+ 0 0 4 -4,-3.6 4,-1.4 -5,-0.3 3,-0.7 0.975 109.0 48.0 -58.1 -48.2 15.2 36.2 -17.1 101 163 A G H >< S+ 0 0 54 -4,-3.5 3,-0.5 1,-0.3 4,-0.3 0.911 112.7 48.9 -55.3 -46.0 14.8 37.9 -20.6 102 164 A Q H 3< S+ 0 0 120 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.747 118.8 35.4 -68.2 -25.3 11.1 37.4 -20.5 103 165 A V H X< S+ 0 0 8 -4,-2.5 3,-2.9 -3,-0.7 -1,-0.2 0.453 84.7 107.2-104.4 1.9 10.4 38.8 -17.0 104 166 A R G X< S+ 0 0 64 -4,-1.4 3,-0.8 -3,-0.5 -1,-0.1 0.760 78.9 50.6 -52.5 -31.6 13.1 41.5 -17.1 105 167 A D G 3 S+ 0 0 104 -4,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.272 91.6 77.2 -89.7 7.9 10.5 44.4 -17.5 106 168 A Q G < S+ 0 0 144 -3,-2.9 2,-0.3 1,-0.2 -1,-0.2 0.337 104.0 31.4 -94.5 5.4 8.5 43.2 -14.5 107 169 A A < - 0 0 21 -3,-0.8 -1,-0.2 -4,-0.2 6,-0.1 -0.975 69.1-131.5-159.5 149.5 11.1 44.7 -12.2 108 170 A E S S+ 0 0 162 -2,-0.3 2,-0.2 -3,-0.1 -1,-0.2 0.987 89.3 49.7 -68.8 -58.7 13.5 47.5 -11.9 109 171 A H S >> S- 0 0 106 1,-0.1 4,-1.9 4,-0.0 3,-0.5 -0.517 76.3-129.5 -90.1 152.5 16.6 45.6 -10.7 110 172 A L H 3> S+ 0 0 2 -2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.877 106.1 63.9 -54.0 -42.0 18.1 42.4 -12.2 111 173 A K H 3> S+ 0 0 130 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.901 104.8 44.7 -60.9 -37.9 18.2 40.8 -8.7 112 174 A T H <> S+ 0 0 61 -3,-0.5 4,-3.0 2,-0.2 -1,-0.2 0.926 111.7 53.9 -65.4 -44.6 14.3 40.8 -8.5 113 175 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.930 106.4 52.2 -61.6 -40.5 14.1 39.6 -12.1 114 176 A V H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.954 110.7 47.3 -58.3 -48.3 16.3 36.6 -11.3 115 177 A Q H X S+ 0 0 77 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.894 109.5 53.4 -65.3 -38.4 14.1 35.7 -8.4 116 178 A M H X S+ 0 0 58 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.966 112.4 46.0 -60.9 -30.3 11.0 36.0 -10.5 117 179 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.840 108.9 54.0 -81.9 -33.4 12.6 33.6 -13.0 118 180 A V H X S+ 0 0 14 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.959 111.9 46.0 -59.4 -48.3 13.7 31.2 -10.3 119 181 A F H X S+ 0 0 129 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.935 113.1 48.3 -57.1 -57.4 10.1 31.1 -9.2 120 182 A I H >X S+ 0 0 50 -4,-2.8 4,-1.8 1,-0.2 3,-0.5 0.974 113.7 48.6 -50.8 -48.3 8.7 30.7 -12.7 121 183 A H H 3< S+ 0 0 0 -4,-3.2 11,-0.5 1,-0.2 -1,-0.2 0.847 110.0 48.2 -62.7 -41.2 11.2 28.0 -13.4 122 184 A N H 3< S+ 0 0 19 -4,-2.2 11,-2.5 1,-0.2 12,-0.4 0.801 116.2 43.5 -75.0 -25.3 10.6 25.9 -10.3 123 185 A K H << S+ 0 0 133 -4,-1.7 2,-0.3 -3,-0.5 -2,-0.2 0.723 82.1 108.2 -86.1 -33.0 6.8 25.9 -10.6 124 186 A K < - 0 0 98 -4,-1.8 8,-0.5 -5,-0.2 2,-0.1 -0.319 68.1-133.2 -49.8 112.6 6.3 25.2 -14.3 125 187 A R B -E 131 0B 167 -2,-0.3 2,-0.4 6,-0.2 6,-0.3 -0.446 15.5-155.5 -71.1 138.8 5.0 21.7 -14.8 126 188 A K 0 0 78 4,-2.2 4,-0.4 -2,-0.1 -1,-0.1 -0.796 360.0 360.0-123.4 87.4 6.8 19.8 -17.5 127 189 A G 0 0 109 -2,-0.4 -2,-0.0 2,-0.4 4,-0.0 -0.923 360.0 360.0 172.7 360.0 4.8 16.9 -18.9 128 ! 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 61 0, 0.0 -2,-0.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 98.3 4.2 16.2 -15.7 130 194 A Y - 0 0 160 -4,-0.4 -4,-2.2 -5,-0.2 2,-0.2 -0.314 360.0-107.8 -90.6 169.9 5.4 17.6 -12.4 131 195 A S B > -E 125 0B 6 -6,-0.3 4,-2.9 1,-0.1 -6,-0.2 -0.652 30.7-108.8 -87.0 164.1 7.4 20.8 -11.7 132 196 A A H > S+ 0 0 0 -8,-0.5 4,-3.6 -11,-0.5 -105,-0.3 0.913 121.8 54.1 -55.6 -42.2 11.1 20.8 -10.7 133 197 A G H > S+ 0 0 18 -11,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.926 110.4 45.8 -64.5 -37.9 10.0 21.9 -7.2 134 198 A E H > S+ 0 0 58 -12,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.905 113.5 50.1 -66.1 -43.3 7.6 19.0 -7.0 135 199 A R H X S+ 0 0 65 -4,-2.9 4,-3.5 2,-0.2 5,-0.3 0.939 107.5 53.4 -62.6 -47.0 10.3 16.6 -8.2 136 200 A I H X S+ 0 0 1 -4,-3.6 4,-2.8 1,-0.2 5,-0.2 0.954 113.4 41.6 -60.2 -44.0 12.9 17.8 -5.7 137 201 A V H X S+ 0 0 83 -4,-1.9 4,-3.6 -5,-0.2 5,-0.2 0.940 115.6 51.3 -69.9 -37.7 10.6 17.2 -2.7 138 202 A D H X S+ 0 0 102 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.972 112.7 45.4 -53.2 -55.5 9.4 13.9 -4.2 139 203 A I H X S+ 0 0 46 -4,-3.5 4,-2.1 1,-0.2 -2,-0.2 0.927 118.2 43.5 -57.5 -46.1 13.0 12.7 -4.7 140 204 A I H X S+ 0 0 21 -4,-2.8 4,-1.9 -5,-0.3 -1,-0.2 0.907 113.2 50.9 -67.2 -41.3 14.0 13.9 -1.2 141 205 A A H X S+ 0 0 44 -4,-3.6 4,-1.4 -5,-0.2 -2,-0.2 0.927 112.3 46.0 -61.9 -45.5 10.8 12.6 0.6 142 206 A T H < S+ 0 0 87 -4,-2.5 3,-0.3 -5,-0.2 -1,-0.2 0.960 111.7 52.5 -58.9 -50.3 11.2 9.1 -0.9 143 207 A D H < S+ 0 0 91 -4,-2.1 3,-0.3 -5,-0.3 -1,-0.2 0.813 103.2 57.3 -58.4 -35.7 14.9 9.0 -0.1 144 208 A I H < S+ 0 0 129 -4,-1.9 2,-1.9 1,-0.3 -1,-0.2 0.922 99.3 61.7 -59.8 -47.0 14.4 9.9 3.6 145 209 A Q < 0 0 158 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.0 -0.446 360.0 360.0 -83.7 66.2 12.1 6.9 4.0 146 210 A T 0 0 124 -2,-1.9 -1,-0.1 -3,-0.3 -4,-0.0 -0.509 360.0 360.0 68.0 360.0 14.8 4.3 3.1