==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-JUN-08 3DI6 . COMPND 2 MOLECULE: REVERSE TRANSCRIPTASE/RIBONUCLEASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 . AUTHOR S.F.HARRIS,A.VILLASENOR,P.DUNTEN . 951 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44939.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 601 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 . 54 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 249 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 0.9 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 2 4 1 2 0 1 0 1 0 3 3 2 1 1 0 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 0 4 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 0 0 PARALLEL BRIDGES PER LADDER . 7 2 5 3 2 4 4 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 . 4 0 5 3 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 1 A P 0 0 73 0, 0.0 2,-0.4 0, 0.0 211,-0.1 0.000 360.0 360.0 360.0 177.4 26.6 73.4 30.2 2 2 A I - 0 0 58 209,-0.1 113,-0.2 143,-0.0 112,-0.1 -0.977 360.0-113.3-129.8 114.2 25.0 70.0 30.0 3 3 A S - 0 0 4 111,-3.1 207,-0.2 -2,-0.4 206,-0.1 -0.087 9.1-139.1 -52.4 139.1 25.1 68.3 26.6 4 4 A P + 0 0 91 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.413 64.3 128.2 -76.0 2.1 21.7 67.9 24.8 5 5 A I S S- 0 0 16 204,-0.3 155,-0.1 1,-0.1 2,-0.0 -0.228 72.2 -97.0 -54.7 144.3 23.1 64.4 23.7 6 6 A E - 0 0 144 1,-0.1 -1,-0.1 154,-0.1 112,-0.1 -0.361 44.9-107.7 -67.4 147.5 20.7 61.6 24.5 7 7 A T - 0 0 49 110,-0.1 110,-0.1 -3,-0.1 -1,-0.1 -0.300 21.7-118.5 -73.8 158.3 21.5 59.7 27.7 8 8 A V - 0 0 16 108,-0.4 110,-0.5 -2,-0.0 2,-0.2 -0.871 34.0-119.1 -92.6 127.3 23.0 56.2 27.9 9 9 A P - 0 0 71 0, 0.0 2,-0.3 0, 0.0 591,-0.1 -0.515 35.1-164.5 -69.8 138.0 20.5 53.8 29.7 10 10 A V - 0 0 12 -2,-0.2 2,-0.3 71,-0.0 592,-0.0 -0.952 9.0-169.7-131.0 143.1 22.0 52.4 32.8 11 11 A K - 0 0 138 -2,-0.3 71,-2.2 591,-0.1 2,-0.2 -0.871 23.0-122.3-124.5 157.4 21.1 49.5 35.1 12 12 A L B -A 81 0A 21 -2,-0.3 69,-0.3 69,-0.2 68,-0.1 -0.500 57.7 -75.6 -80.5 168.1 22.1 48.1 38.4 13 13 A K > - 0 0 59 67,-2.8 3,-2.2 -2,-0.2 -1,-0.1 -0.495 56.0-100.5 -68.2 140.3 23.4 44.5 38.4 14 14 A P T 3 S+ 0 0 145 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.673 115.3 31.8 -32.9 -53.5 20.5 42.0 38.0 15 15 A G T 3 S+ 0 0 81 2,-0.0 2,-0.2 0, 0.0 -2,-0.0 0.623 103.9 93.2 -85.8 -12.5 20.0 40.9 41.7 16 16 A M < - 0 0 91 -3,-2.2 2,-0.2 64,-0.2 -4,-0.1 -0.452 56.3-148.9 -98.8 153.3 21.0 44.1 43.4 17 17 A D - 0 0 72 -2,-0.2 -4,-0.1 1,-0.1 3,-0.1 -0.681 40.4 -80.2-106.7 165.2 19.2 47.1 44.8 18 18 A G - 0 0 1 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.169 59.5 -80.7 -64.2 162.2 20.6 50.7 45.0 19 19 A P - 0 0 0 0, 0.0 38,-2.2 0, 0.0 2,-0.2 -0.348 34.6-175.2 -73.2 140.4 23.0 51.8 47.8 20 20 A K B +b 57 0B 119 36,-0.3 2,-0.3 -3,-0.1 38,-0.2 -0.634 23.7 162.3-130.2 68.6 21.6 52.8 51.3 21 21 A V - 0 0 43 36,-2.8 2,-0.3 -2,-0.2 0, 0.0 -0.723 37.7-118.1 -96.8 143.8 24.8 54.0 53.0 22 22 A K - 0 0 166 -2,-0.3 2,-0.5 1,-0.1 -1,-0.0 -0.579 23.4-122.6 -85.0 138.9 24.7 56.1 56.2 23 23 A Q - 0 0 14 -2,-0.3 -1,-0.1 36,-0.1 3,-0.1 -0.699 23.4-130.4 -83.4 122.5 26.1 59.6 56.2 24 24 A W - 0 0 201 -2,-0.5 2,-0.2 36,-0.1 36,-0.1 -0.489 33.8 -98.8 -67.4 136.4 28.8 60.2 58.8 25 25 A P - 0 0 54 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.430 50.3-150.7 -57.2 125.5 28.3 63.3 60.9 26 26 A L - 0 0 20 105,-0.3 107,-0.5 -2,-0.2 2,-0.2 -0.461 15.1 -94.8-100.8 170.6 30.5 65.9 59.3 27 27 A T > - 0 0 57 -2,-0.2 4,-3.2 1,-0.1 5,-0.2 -0.514 33.0-118.3 -81.2 147.2 32.4 69.0 60.6 28 28 A E H > S+ 0 0 121 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.898 116.3 54.6 -53.1 -43.9 30.8 72.4 60.3 29 29 A E H > S+ 0 0 118 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.937 113.6 42.4 -53.5 -46.8 33.6 73.6 58.1 30 30 A K H > S+ 0 0 48 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.900 112.5 51.6 -70.4 -43.0 32.9 70.7 55.8 31 31 A I H X S+ 0 0 17 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.889 111.9 49.6 -58.7 -39.2 29.1 71.0 56.0 32 32 A K H X S+ 0 0 143 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.912 111.0 47.2 -67.2 -46.5 29.6 74.7 55.0 33 33 A A H X S+ 0 0 4 -4,-2.2 4,-3.0 -5,-0.2 5,-0.2 0.894 112.4 50.5 -63.5 -40.6 31.9 73.9 52.1 34 34 A L H X S+ 0 0 1 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.928 110.4 48.9 -64.2 -44.2 29.5 71.2 50.8 35 35 A V H X S+ 0 0 52 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.940 114.2 46.5 -61.1 -45.9 26.5 73.5 51.0 36 36 A E H X S+ 0 0 129 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.965 115.3 45.3 -59.7 -52.0 28.4 76.2 49.1 37 37 A I H X S+ 0 0 25 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.885 115.0 48.2 -60.7 -40.8 29.7 73.8 46.5 38 38 A C H X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 -1,-0.2 0.906 106.1 55.8 -70.0 -43.7 26.3 72.2 46.0 39 39 A T H X S+ 0 0 47 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.947 109.1 49.0 -47.0 -53.4 24.4 75.5 45.7 40 40 A E H < S+ 0 0 108 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.852 113.3 45.5 -58.8 -40.3 26.7 76.4 42.8 41 41 A M H ><>S+ 0 0 16 -4,-1.6 5,-2.0 2,-0.2 6,-0.6 0.846 110.6 54.8 -71.0 -36.2 26.2 73.0 41.1 42 42 A E H ><5S+ 0 0 69 -4,-3.0 3,-1.7 1,-0.2 -2,-0.2 0.934 104.6 53.1 -61.0 -46.1 22.4 73.3 41.7 43 43 A K T 3<5S+ 0 0 169 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.631 110.4 48.8 -67.3 -14.9 22.3 76.7 40.0 44 44 A E T < 5S- 0 0 109 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.249 117.6-110.1-106.5 9.8 24.1 75.1 36.9 45 45 A G T < 5S+ 0 0 29 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.401 84.4 120.5 85.3 -0.3 21.7 72.1 36.7 46 46 A K S - 0 0 40 -2,-0.3 3,-0.6 1,-0.1 -1,-0.1 -0.068 34.2-107.0 -69.5 173.4 12.3 64.5 48.6 52 52 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.493 108.0 80.8 -84.7 -1.5 12.7 62.1 51.6 53 53 A E T 3 + 0 0 182 2,-0.0 -3,-0.0 0, 0.0 -2,-0.0 0.874 67.5 92.6 -68.4 -39.2 10.8 59.4 49.6 54 54 A N < - 0 0 15 -3,-0.6 -4,-0.0 1,-0.2 70,-0.0 -0.421 62.9-165.8 -56.6 116.9 14.0 58.5 47.8 55 55 A P + 0 0 69 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.400 52.2 98.0 -90.6 1.1 15.5 55.7 50.0 56 56 A Y + 0 0 23 67,-0.2 2,-0.3 -36,-0.1 -36,-0.3 -0.562 45.5 174.0 -95.1 153.2 19.0 55.6 48.6 57 57 A N B -b 20 0B 16 -38,-2.2 -36,-2.8 -2,-0.2 70,-0.3 -0.957 16.8-167.7-160.4 143.4 22.1 57.3 49.9 58 58 A T B -d 127 0C 2 68,-1.3 70,-0.7 -2,-0.3 16,-0.1 -0.984 36.1-104.2-127.9 139.4 25.9 57.6 49.3 59 59 A P - 0 0 24 0, 0.0 14,-1.5 0, 0.0 2,-0.3 -0.234 33.2-159.7 -61.9 149.9 28.5 59.1 51.7 60 60 A V E +F 72 0D 5 68,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.966 11.0 177.1-130.0 151.8 29.9 62.6 50.9 61 61 A F E -F 71 0D 89 10,-1.7 10,-3.1 -2,-0.3 2,-0.4 -0.922 18.5-141.4-144.6 161.4 33.0 64.2 52.2 62 62 A A E -F 70 0D 0 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.998 18.4-178.7-128.5 137.8 34.9 67.5 51.7 63 63 A I E F 69 0D 94 6,-2.1 6,-2.2 -2,-0.4 -2,-0.0 -0.984 360.0 360.0-132.8 147.7 38.7 67.9 51.5 64 64 A K 0 0 120 -2,-0.3 4,-0.2 4,-0.2 -2,-0.0 -0.540 360.0 360.0 -67.9 360.0 41.0 70.9 51.1 65 ! 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 66 69 A T 0 0 154 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 135.1 42.2 77.5 50.5 67 70 A K - 0 0 149 -3,-0.0 2,-0.4 2,-0.0 0, 0.0 -0.005 360.0-148.0 117.3 127.1 40.2 75.3 48.0 68 71 A W - 0 0 96 -4,-0.2 2,-0.4 -2,-0.1 -4,-0.2 -0.998 11.5-165.1-127.9 132.9 37.3 73.0 48.9 69 72 A R E -F 63 0D 142 -6,-2.2 -6,-2.1 -2,-0.4 2,-0.5 -0.959 15.6-139.1-123.5 129.5 36.6 69.8 47.1 70 73 A K E -F 62 0D 18 -2,-0.4 2,-0.5 -8,-0.2 -8,-0.2 -0.755 22.5-172.4 -81.9 124.1 33.5 67.6 47.2 71 74 A L E -F 61 0D 100 -10,-3.1 -10,-1.7 -2,-0.5 2,-0.5 -0.946 5.0-164.2-124.1 109.5 34.4 64.0 47.3 72 75 A V E -F 60 0D 15 -2,-0.5 2,-1.3 76,-0.3 -12,-0.2 -0.818 16.2-139.6 -95.5 128.1 31.6 61.4 47.0 73 76 A D + 0 0 57 -14,-1.5 3,-0.4 -2,-0.5 4,-0.2 -0.693 28.1 170.9 -88.0 90.1 32.4 57.8 48.0 74 77 A F > + 0 0 4 -2,-1.3 4,-3.2 1,-0.2 5,-0.2 0.230 36.5 119.2 -85.7 14.1 30.7 55.8 45.3 75 78 A R H > S+ 0 0 175 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.879 78.8 41.6 -48.4 -49.1 32.2 52.4 46.4 76 79 A E H > S+ 0 0 58 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.940 115.3 49.0 -67.8 -46.7 28.8 50.8 47.1 77 80 A L H >> S+ 0 0 0 -4,-0.2 4,-1.1 1,-0.2 3,-0.8 0.957 110.4 53.3 -54.7 -50.9 27.0 52.2 44.1 78 81 A N H >< S+ 0 0 40 -4,-3.2 3,-0.8 1,-0.3 -1,-0.2 0.890 106.5 50.5 -51.3 -48.7 30.0 51.0 41.9 79 82 A K H 3< S+ 0 0 122 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.827 115.7 46.1 -54.8 -32.5 29.7 47.4 43.3 80 83 A R H << S+ 0 0 63 -4,-1.6 -67,-2.8 -3,-0.8 2,-0.3 0.587 94.9 89.8 -90.5 -11.9 26.0 47.6 42.4 81 84 A T B << S-A 12 0A 0 -4,-1.1 -69,-0.2 -3,-0.8 -71,-0.0 -0.645 82.9 -96.2 -98.5 147.3 26.2 49.1 38.9 82 85 A Q - 0 0 26 -71,-2.2 2,-0.2 -2,-0.3 -1,-0.1 0.080 41.5 -99.7 -49.9 160.5 26.4 47.2 35.7 83 86 A D - 0 0 59 519,-0.1 2,-0.3 -71,-0.1 -1,-0.1 -0.529 40.5-150.1 -77.0 152.9 29.7 46.5 33.9 84 87 A F - 0 0 23 -2,-0.2 518,-0.2 520,-0.1 2,-0.1 -0.823 25.6 -85.5-120.9 163.3 30.4 48.8 31.0 85 88 A W - 0 0 59 516,-2.7 520,-0.1 -2,-0.3 521,-0.0 -0.426 56.1 -97.0 -64.1 140.5 32.3 48.3 27.8 86 89 A E - 0 0 135 518,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.255 27.1-131.0 -57.8 148.4 36.1 49.0 28.1 87 90 A V S S- 0 0 42 1,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.893 81.1 -0.1 -77.8 -38.8 37.0 52.5 27.1 88 91 A Q - 0 0 79 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 -0.997 46.0-144.9-148.7 151.3 39.9 51.5 24.8 89 92 A L S S- 0 0 83 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.514 89.1 -26.2 -81.2 -9.6 41.8 48.3 23.6 90 93 A G - 0 0 24 594,-0.1 -1,-0.2 593,-0.0 0, 0.0 -0.969 64.6-100.1 175.3 168.7 45.0 50.4 23.6 91 94 A I - 0 0 78 -2,-0.3 594,-0.1 -3,-0.1 2,-0.1 -0.856 48.0 -97.2-108.4 152.3 46.6 53.8 23.4 92 95 A P - 0 0 4 0, 0.0 592,-0.1 0, 0.0 287,-0.1 -0.412 29.0-137.3 -66.7 145.2 48.2 55.1 20.2 93 96 A H > - 0 0 22 1,-0.1 3,-2.4 286,-0.1 4,-0.5 -0.908 14.3-131.2 -98.8 131.6 51.9 54.8 19.7 94 97 A P G > S+ 0 0 0 0, 0.0 3,-1.9 0, 0.0 222,-0.4 0.836 106.1 65.8 -46.5 -42.4 53.6 57.9 18.2 95 98 A A G 3 S+ 0 0 0 1,-0.3 252,-0.1 220,-0.1 219,-0.0 0.789 100.5 53.0 -51.9 -29.6 55.5 55.7 15.7 96 99 A G G < S+ 0 0 5 -3,-2.4 -1,-0.3 219,-0.1 2,-0.2 0.634 86.8 105.6 -80.3 -15.9 52.0 55.0 14.3 97 100 A L < - 0 0 42 -3,-1.9 219,-3.1 -4,-0.5 2,-0.3 -0.458 68.1-132.5 -74.0 132.5 51.0 58.6 13.8 98 101 A K B -g 316 0E 93 -2,-0.2 2,-0.2 217,-0.2 219,-0.2 -0.650 35.6-103.2 -76.8 138.1 50.9 60.2 10.4 99 102 A K - 0 0 109 217,-0.8 2,-0.3 -2,-0.3 -1,-0.1 -0.472 38.3-162.3 -67.7 125.9 52.7 63.6 10.3 100 103 A K - 0 0 35 -2,-0.2 89,-0.2 133,-0.2 3,-0.1 -0.859 24.0-133.6-105.3 147.6 50.2 66.5 10.2 101 104 A K S S+ 0 0 123 87,-0.6 2,-0.3 -2,-0.3 88,-0.2 0.891 94.7 18.2 -62.2 -40.4 51.1 70.1 9.2 102 105 A S E -H 188 0F 15 86,-2.4 86,-2.6 -3,-0.1 2,-0.4 -0.993 64.1-177.0-136.1 143.8 49.3 71.4 12.3 103 106 A V E -H 187 0F 50 -2,-0.3 2,-0.3 84,-0.2 84,-0.3 -0.987 5.8-172.7-139.0 127.9 48.1 69.8 15.6 104 107 A T E -H 186 0F 15 82,-3.2 82,-3.2 -2,-0.4 2,-0.5 -0.916 15.9-140.6-118.4 147.5 46.1 71.5 18.3 105 108 A V E -HI 185 220F 4 115,-0.5 115,-0.5 -2,-0.3 2,-0.5 -0.935 16.6-173.1-103.8 126.5 45.1 70.3 21.8 106 109 A L E -H 184 0F 1 78,-2.9 78,-2.5 -2,-0.5 2,-0.6 -0.985 8.2-157.5-114.0 129.0 41.6 71.1 23.1 107 110 A D E -H 183 0F 71 -2,-0.5 2,-0.3 76,-0.2 76,-0.2 -0.934 17.6-131.7-107.5 119.9 40.8 70.2 26.7 108 111 A V > - 0 0 3 74,-3.0 3,-0.7 -2,-0.6 2,-0.3 -0.511 24.1-129.4 -68.4 125.7 37.1 69.8 27.4 109 112 A G T 3 S- 0 0 23 103,-1.9 103,-0.4 -2,-0.3 -1,-0.1 -0.634 83.1 -4.6 -82.3 135.5 36.2 71.8 30.6 110 113 A D T 3> S- 0 0 116 -2,-0.3 4,-1.3 3,-0.1 -1,-0.3 0.901 81.9-177.6 47.3 50.8 34.2 70.0 33.3 111 114 A A T X4 S+ 0 0 3 -3,-0.7 3,-0.8 1,-0.2 35,-0.1 0.875 72.8 37.6 -43.2 -64.8 34.0 67.0 31.0 112 115 A Y G >4 S+ 0 0 32 1,-0.2 3,-2.1 2,-0.2 34,-1.0 0.917 115.1 53.3 -59.0 -48.6 31.8 64.6 33.2 113 116 A F G 34 S+ 0 0 24 1,-0.3 -1,-0.2 32,-0.2 -2,-0.2 0.649 101.9 62.6 -67.5 -14.1 29.6 67.4 34.6 114 117 A S G << S+ 0 0 1 -4,-1.3 -111,-3.1 -3,-0.8 -1,-0.3 0.286 93.6 76.9 -87.5 7.3 28.9 68.5 31.0 115 118 A V S < S- 0 0 2 -3,-2.1 31,-1.9 -113,-0.2 42,-0.1 -0.976 81.1-121.8-125.5 129.7 27.2 65.1 30.2 116 119 A P B -K 145 0G 13 0, 0.0 -108,-0.4 0, 0.0 2,-0.3 -0.364 18.3-135.9 -71.5 146.0 23.7 64.0 31.3 117 120 A L - 0 0 1 27,-2.5 -110,-0.1 -110,-0.1 5,-0.1 -0.763 40.2 -84.4 -94.1 143.9 23.1 60.9 33.4 118 121 A D >> - 0 0 14 -110,-0.5 4,-1.6 -2,-0.3 3,-1.3 -0.229 35.3-135.4 -45.8 124.9 20.2 58.5 32.6 119 122 A E T 34 S+ 0 0 141 1,-0.3 4,-0.5 2,-0.2 3,-0.3 0.892 104.4 53.0 -55.4 -42.5 17.0 59.9 34.1 120 123 A D T 34 S+ 0 0 122 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.669 112.1 45.7 -69.4 -17.8 16.0 56.4 35.4 121 124 A F T X4 S+ 0 0 0 -3,-1.3 3,-2.2 1,-0.1 4,-0.4 0.712 86.3 88.0 -95.8 -23.9 19.4 56.0 37.1 122 125 A R G >< S+ 0 0 41 -4,-1.6 3,-2.0 -3,-0.3 21,-0.5 0.782 77.6 66.4 -49.5 -38.4 19.8 59.4 38.9 123 126 A K G > S+ 0 0 81 -4,-0.5 3,-1.1 1,-0.3 -1,-0.3 0.783 93.4 59.9 -55.4 -31.4 17.9 58.3 42.0 124 127 A Y G < S+ 0 0 37 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.646 94.3 65.4 -74.1 -13.2 20.7 55.8 42.9 125 128 A T G < S+ 0 0 0 -3,-2.0 -1,-0.2 -4,-0.4 -2,-0.2 0.170 75.0 142.6 -92.2 18.9 23.2 58.8 43.0 126 129 A A < + 0 0 0 -3,-1.1 -68,-1.3 16,-0.2 2,-0.3 -0.308 23.4 174.6 -64.0 137.8 21.4 60.2 46.0 127 130 A F E -dE 58 141C 1 14,-2.2 14,-2.2 -70,-0.3 2,-0.5 -0.972 20.4-135.3-144.6 161.7 23.6 61.9 48.7 128 131 A T E - 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