==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 04-AUG-11 3TAM . COMPND 2 MOLECULE: REVERSE TRANSCRIPTASE/RIBONUCLEASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_HXB2R; . AUTHOR Y.YAN . 956 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44791.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 611 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 135 14.1 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 . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 . 65 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 255 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 2 4 1 1 0 1 1 2 0 3 1 1 2 1 1 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 3 2 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 1 7 1 2 5 3 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 . 3 2 3 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 95 0, 0.0 2,-0.4 0, 0.0 211,-0.1 0.000 360.0 360.0 360.0 143.4 31.8 3.1 30.4 2 2 A I - 0 0 57 209,-0.1 113,-0.2 143,-0.0 208,-0.1 -0.986 360.0-105.8-129.4 110.0 33.3 6.6 30.6 3 3 A S - 0 0 5 111,-3.2 207,-0.2 -2,-0.4 206,-0.1 0.000 10.6-142.0 -38.9 130.4 33.6 8.3 27.2 4 4 A P + 0 0 80 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.404 62.7 129.8 -74.7 5.8 37.2 8.6 25.6 5 5 A I S S- 0 0 20 204,-0.3 155,-0.0 1,-0.1 204,-0.0 -0.246 70.7 -89.8 -59.2 151.7 36.0 12.1 24.4 6 6 A E - 0 0 172 1,-0.1 2,-0.2 154,-0.1 -1,-0.1 -0.090 49.8-110.7 -57.0 152.3 38.2 15.2 25.0 7 7 A T - 0 0 41 -3,-0.1 -1,-0.1 110,-0.1 110,-0.1 -0.541 17.4-118.8 -89.9 157.2 37.4 17.0 28.2 8 8 A V - 0 0 14 108,-0.3 2,-1.2 -2,-0.2 110,-0.5 -0.879 30.2-124.6 -95.3 117.2 35.8 20.4 28.7 9 9 A P - 0 0 71 0, 0.0 2,-0.2 0, 0.0 593,-0.0 -0.468 32.8-166.6 -67.6 98.3 38.3 22.7 30.5 10 10 A V - 0 0 10 -2,-1.2 2,-0.3 71,-0.0 110,-0.0 -0.573 4.6-170.2 -83.5 145.0 36.3 23.9 33.6 11 11 A K - 0 0 145 -2,-0.2 71,-2.0 593,-0.1 2,-0.2 -0.867 21.7-116.9-130.0 161.6 37.5 26.9 35.7 12 12 A L B -A 81 0A 24 -2,-0.3 69,-0.3 69,-0.2 3,-0.1 -0.510 51.4 -76.9 -90.7 169.4 36.4 28.4 39.0 13 13 A K > - 0 0 59 67,-3.7 3,-1.8 -2,-0.2 -1,-0.1 -0.372 65.6 -80.9 -66.7 143.9 35.0 31.9 39.2 14 14 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.256 116.7 8.7 -55.1 122.8 37.6 34.8 38.9 15 15 A G T 3 S+ 0 0 89 1,-0.3 2,-0.3 -3,-0.1 -2,-0.1 0.671 106.6 118.5 81.2 22.5 39.3 35.4 42.2 16 16 A M < - 0 0 69 -3,-1.8 -1,-0.3 64,-0.1 2,-0.2 -0.931 47.6-154.4-124.8 146.2 37.7 32.3 43.9 17 17 A D - 0 0 71 -2,-0.3 -4,-0.1 1,-0.2 3,-0.1 -0.639 36.4 -81.2-108.1 166.1 39.1 29.1 45.4 18 18 A G - 0 0 3 -2,-0.2 -1,-0.2 1,-0.1 2,-0.2 0.035 58.5 -76.9 -62.1 169.5 37.5 25.6 45.7 19 19 A P - 0 0 0 0, 0.0 38,-2.5 0, 0.0 -1,-0.1 -0.512 36.8-176.4 -75.7 141.2 35.0 24.6 48.5 20 20 A K B +b 57 0B 120 36,-0.3 2,-0.5 -2,-0.2 38,-0.2 -0.528 24.6 155.6-131.9 60.8 36.4 23.8 51.9 21 21 A V - 0 0 46 36,-2.6 55,-0.0 1,-0.0 0, 0.0 -0.842 42.6-117.1-100.0 120.7 33.2 22.8 53.8 22 22 A K - 0 0 154 -2,-0.5 2,-0.3 1,-0.1 35,-0.0 -0.261 23.1-121.1 -60.1 137.6 33.5 20.5 56.8 23 23 A Q - 0 0 17 36,-0.1 -1,-0.1 35,-0.1 106,-0.0 -0.639 25.5-131.3 -77.0 132.2 31.9 17.0 56.7 24 24 A W - 0 0 168 -2,-0.3 36,-0.1 36,-0.2 110,-0.1 -0.755 29.6-101.2 -86.5 133.2 29.4 16.5 59.5 25 25 A P - 0 0 52 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.290 45.4-157.6 -56.4 124.2 29.7 13.2 61.6 26 26 A L - 0 0 25 105,-0.2 107,-0.4 1,-0.1 108,-0.1 -0.556 22.2 -86.5-100.1 169.2 27.2 10.7 60.3 27 27 A T > - 0 0 74 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.210 39.4-112.2 -66.4 158.3 25.5 7.5 61.9 28 28 A E H > S+ 0 0 131 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.930 121.4 52.8 -59.2 -43.2 27.3 4.1 61.6 29 29 A E H > S+ 0 0 106 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.840 110.9 46.4 -60.0 -37.1 24.5 2.9 59.3 30 30 A K H > S+ 0 0 37 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.906 112.7 49.2 -72.1 -43.0 25.1 6.0 57.0 31 31 A I H X S+ 0 0 14 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.924 111.3 50.4 -62.0 -44.6 28.9 5.6 57.0 32 32 A K H X S+ 0 0 132 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.945 111.0 48.0 -58.6 -53.1 28.5 1.9 56.1 33 33 A A H X S+ 0 0 6 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.931 112.2 49.3 -54.3 -51.2 26.1 2.7 53.2 34 34 A L H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.903 109.5 52.4 -55.6 -45.7 28.4 5.4 51.8 35 35 A V H X S+ 0 0 45 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.920 111.8 45.9 -57.1 -47.2 31.4 3.0 52.0 36 36 A E H X S+ 0 0 113 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.932 116.3 45.2 -60.3 -51.0 29.5 0.3 50.0 37 37 A I H X S+ 0 0 39 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.940 115.6 46.7 -55.4 -57.0 28.3 2.9 47.4 38 38 A C H X S+ 0 0 0 -4,-3.2 4,-1.6 2,-0.2 -1,-0.2 0.775 109.4 51.4 -61.5 -35.0 31.7 4.5 47.1 39 39 A T H X S+ 0 0 59 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.961 112.5 48.0 -68.0 -46.0 33.7 1.3 46.8 40 40 A E H X S+ 0 0 112 -4,-2.0 4,-1.6 1,-0.2 3,-0.3 0.942 113.7 46.9 -54.4 -52.6 31.3 0.2 43.9 41 41 A M H X>S+ 0 0 16 -4,-2.6 5,-1.2 1,-0.2 6,-1.0 0.779 110.9 53.6 -58.8 -34.3 31.7 3.6 42.2 42 42 A E H ><5S+ 0 0 56 -4,-1.6 3,-0.5 4,-0.2 -1,-0.2 0.867 107.2 49.0 -72.1 -38.4 35.5 3.5 42.6 43 43 A K H 3<5S+ 0 0 186 -4,-2.1 -2,-0.2 -3,-0.3 -1,-0.2 0.809 108.9 56.0 -68.0 -31.6 35.7 0.0 40.9 44 44 A E H 3<5S- 0 0 89 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.637 116.0-115.3 -76.9 -16.9 33.6 1.4 38.1 45 45 A G T <<5S+ 0 0 27 -4,-0.6 -3,-0.2 -3,-0.5 -4,-0.1 0.217 86.3 115.8 99.2 -11.4 36.0 4.3 37.5 46 46 A K S - 0 0 25 -2,-0.3 3,-0.6 1,-0.1 -1,-0.1 -0.174 35.6-109.6 -73.9 171.4 45.7 11.8 49.3 52 52 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.485 105.3 83.7 -87.4 2.0 45.2 14.2 52.3 53 53 A E T 3 + 0 0 145 2,-0.0 -3,-0.0 0, 0.0 0, 0.0 0.800 67.9 92.4 -68.9 -31.8 47.2 17.0 50.6 54 54 A N < - 0 0 16 -3,-0.6 -4,-0.0 1,-0.1 70,-0.0 -0.503 61.8-166.8 -65.0 121.5 44.0 18.0 48.7 55 55 A P + 0 0 72 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.510 49.1 103.0 -95.4 -5.7 42.4 20.7 50.9 56 56 A Y - 0 0 24 67,-0.2 2,-0.3 -36,-0.1 -36,-0.3 -0.400 44.5-179.9 -80.3 152.1 38.9 20.9 49.3 57 57 A N B -b 20 0B 17 -38,-2.5 -36,-2.6 -2,-0.1 70,-0.2 -0.949 18.0-173.9-158.2 138.9 35.7 19.4 50.7 58 58 A T B -d 127 0C 0 68,-1.6 70,-0.6 -2,-0.3 16,-0.1 -0.987 39.3-108.0-124.4 132.6 32.1 19.1 49.8 59 59 A P - 0 0 24 0, 0.0 14,-2.2 0, 0.0 2,-0.3 -0.325 30.4-154.8 -66.7 147.7 29.6 17.5 52.4 60 60 A V E -F 72 0D 6 68,-0.3 2,-0.3 12,-0.2 -36,-0.2 -0.847 10.9-176.4-115.6 155.9 28.2 14.0 51.7 61 61 A F E -F 71 0D 97 10,-1.5 10,-3.8 -2,-0.3 2,-0.4 -0.985 16.8-142.1-153.6 150.2 24.9 12.4 53.0 62 62 A A E -F 70 0D 0 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.985 18.5-176.6-121.5 128.6 23.2 9.1 52.8 63 63 A I E F 69 0D 65 6,-2.4 6,-3.3 -2,-0.4 -2,-0.0 -0.958 360.0 360.0-125.1 139.8 19.4 8.8 52.5 64 64 A K 0 0 107 -2,-0.3 -1,-0.2 4,-0.2 3,-0.2 0.896 360.0 360.0 -87.8 360.0 17.3 5.6 52.4 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 0 170 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 122.0 15.4 -1.1 50.7 67 70 A K - 0 0 135 -3,-0.2 2,-0.4 0, 0.0 -34,-0.0 -0.624 360.0-128.5-104.6 163.3 18.4 0.8 49.2 68 71 A W - 0 0 53 -2,-0.2 2,-0.4 -35,-0.1 -4,-0.2 -0.920 17.4-156.8-111.3 133.7 20.7 3.7 50.2 69 72 A R E -F 63 0D 152 -6,-3.3 -6,-2.4 -2,-0.4 2,-0.5 -0.888 14.6-130.8-111.0 139.6 21.4 6.7 47.9 70 73 A K E -F 62 0D 34 -2,-0.4 2,-0.5 -8,-0.2 -8,-0.2 -0.802 20.5-164.2 -90.2 129.4 24.4 9.0 48.2 71 74 A L E -F 61 0D 100 -10,-3.8 -10,-1.5 -2,-0.5 2,-0.5 -0.956 2.9-166.2-120.0 113.0 23.7 12.7 48.3 72 75 A V E -F 60 0D 19 -2,-0.5 2,-1.2 -12,-0.2 -12,-0.2 -0.866 15.9-141.9 -98.1 123.1 26.5 15.2 47.6 73 76 A D + 0 0 60 -14,-2.2 3,-0.5 -2,-0.5 4,-0.2 -0.696 25.2 172.8 -87.1 92.1 25.8 18.8 48.5 74 77 A F > + 0 0 4 -2,-1.2 4,-3.1 1,-0.2 77,-0.2 0.163 40.7 115.6 -85.6 20.2 27.5 20.8 45.7 75 78 A R H > S+ 0 0 185 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.879 79.8 43.1 -55.3 -45.8 26.0 24.2 46.8 76 79 A E H > S+ 0 0 54 -3,-0.5 4,-0.8 2,-0.2 3,-0.4 0.946 116.2 45.8 -68.9 -47.7 29.4 25.7 47.7 77 80 A L H >> S+ 0 0 0 -4,-0.2 4,-2.0 1,-0.2 3,-1.2 0.906 110.1 55.5 -60.9 -43.6 31.2 24.3 44.6 78 81 A N H 3< S+ 0 0 40 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.807 104.8 53.2 -58.6 -33.2 28.3 25.5 42.3 79 82 A K H 3< S+ 0 0 107 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.684 117.1 39.1 -73.9 -19.2 28.8 29.1 43.7 80 83 A R H << S+ 0 0 55 -3,-1.2 -67,-3.7 -4,-0.8 -2,-0.2 0.637 93.7 96.9-105.4 -22.3 32.5 28.9 42.8 81 84 A T B < S-A 12 0A 0 -4,-2.0 -69,-0.2 -69,-0.3 3,-0.1 -0.430 84.7-103.2 -68.3 144.0 32.2 27.1 39.4 82 85 A Q - 0 0 22 -71,-2.0 2,-0.2 1,-0.1 -1,-0.1 -0.119 40.5 -93.7 -59.2 164.6 32.2 29.4 36.3 83 86 A D - 0 0 68 521,-0.1 2,-0.3 -71,-0.1 -1,-0.1 -0.575 44.6-148.9 -80.3 146.9 29.0 30.2 34.5 84 87 A F - 0 0 17 -2,-0.2 520,-0.2 522,-0.1 2,-0.1 -0.721 28.7 -80.7-110.8 168.3 28.3 27.9 31.5 85 88 A W - 0 0 38 518,-2.9 2,-0.5 -2,-0.3 522,-0.1 -0.454 57.8-100.3 -64.8 133.3 26.5 28.4 28.2 86 89 A E - 0 0 126 520,-0.2 3,-0.3 -2,-0.1 -1,-0.1 -0.535 39.3-128.2 -64.3 110.2 22.7 28.2 28.8 87 90 A V S S- 0 0 60 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.804 72.0 -24.6 -22.4 -97.4 22.0 24.6 27.6 88 91 A Q - 0 0 49 602,-0.1 2,-1.5 -3,-0.0 -1,-0.2 -0.982 58.3-148.6-131.6 113.8 19.1 24.8 25.0 89 92 A L S S+ 0 0 103 -2,-0.4 2,-0.2 -3,-0.3 598,-0.1 -0.654 76.6 27.7 -87.0 82.1 16.8 27.9 25.3 90 93 A G S S- 0 0 31 -2,-1.5 -2,-0.0 597,-0.1 0, 0.0 -0.421 74.1-125.3 139.7 147.4 13.5 26.3 24.0 91 94 A I - 0 0 82 -2,-0.2 597,-0.1 89,-0.0 596,-0.1 -0.908 38.3 -91.2-118.7 147.0 12.0 22.8 23.9 92 95 A P - 0 0 7 0, 0.0 595,-0.1 0, 0.0 287,-0.1 -0.308 34.9-145.5 -58.5 132.8 10.7 20.9 20.8 93 96 A H > - 0 0 21 1,-0.1 3,-2.1 286,-0.1 4,-0.3 -0.876 12.9-133.6 -97.1 132.0 7.0 21.5 20.1 94 97 A P G > S+ 0 0 0 0, 0.0 3,-2.0 0, 0.0 222,-0.3 0.844 104.6 62.3 -49.2 -39.3 5.3 18.4 18.7 95 98 A A G 3 S+ 0 0 0 1,-0.3 252,-0.1 220,-0.1 219,-0.0 0.630 98.8 57.7 -62.6 -17.0 3.6 20.5 15.9 96 99 A G G < S+ 0 0 5 -3,-2.1 2,-0.3 219,-0.1 -1,-0.3 0.435 85.9 102.5 -93.3 -4.2 7.1 21.3 14.6 97 100 A L S < S- 0 0 35 -3,-2.0 219,-3.0 -4,-0.3 2,-0.2 -0.651 71.1-134.0 -81.5 132.9 7.9 17.6 14.1 98 101 A K B -g 316 0E 75 -2,-0.3 2,-0.6 217,-0.2 219,-0.1 -0.573 32.0-102.4 -81.4 146.9 7.7 16.3 10.6 99 102 A K - 0 0 118 217,-0.6 2,-0.3 -2,-0.2 135,-0.1 -0.698 46.1-161.5 -72.0 114.1 5.8 13.0 10.2 100 103 A N - 0 0 31 -2,-0.6 89,-0.2 1,-0.1 3,-0.1 -0.824 23.7-130.0-101.6 142.3 8.6 10.4 9.9 101 104 A K S S+ 0 0 139 -2,-0.3 2,-0.4 1,-0.2 88,-0.2 0.976 95.3 9.4 -51.4 -57.9 8.2 6.8 8.5 102 105 A S E -H 188 0F 15 86,-2.1 86,-2.5 88,-0.1 2,-0.4 -0.970 69.6-177.1-131.4 137.2 10.0 5.3 11.5 103 106 A V E -H 187 0F 62 -2,-0.4 2,-0.4 84,-0.2 84,-0.2 -0.999 2.9-169.9-132.3 136.0 11.1 6.8 14.8 104 107 A T E -H 186 0F 17 82,-3.0 82,-2.4 -2,-0.4 2,-0.5 -0.976 16.0-139.7-125.5 143.8 13.0 5.4 17.7 105 108 A V E -H 185 0F 17 115,-0.4 2,-0.5 -2,-0.4 115,-0.5 -0.893 17.4-172.2-101.6 123.8 13.7 6.8 21.2 106 109 A L E -H 184 0F 0 78,-2.6 78,-1.2 -2,-0.5 2,-0.4 -0.896 3.9-165.3-114.2 101.7 17.3 6.1 22.6 107 110 A D E -H 183 0F 59 -2,-0.5 2,-0.4 76,-0.2 76,-0.2 -0.692 23.5-126.0 -84.8 134.9 17.9 7.1 26.2 108 111 A V > - 0 0 3 74,-3.3 3,-0.6 -2,-0.4 2,-0.4 -0.686 25.4-126.6 -81.2 127.9 21.6 7.3 27.2 109 112 A G B 3 S-J 212 0G 24 103,-3.0 103,-0.5 -2,-0.4 5,-0.1 -0.706 82.8 -6.9 -82.9 129.9 22.3 5.1 30.2 110 113 A D T 3> S- 0 0 121 -2,-0.4 4,-1.7 3,-0.1 -1,-0.2 0.875 82.0-175.0 47.3 52.8 24.1 6.7 33.2 111 114 A A T X4 S+ 0 0 5 -3,-0.6 3,-0.5 2,-0.2 35,-0.1 0.830 72.0 36.7 -38.7 -67.8 24.6 9.9 31.2 112 115 A Y G >4 S+ 0 0 46 1,-0.2 3,-1.9 2,-0.2 34,-1.4 0.912 116.9 53.3 -60.9 -44.8 26.7 12.1 33.5 113 116 A F G 34 S+ 0 0 37 1,-0.3 -1,-0.2 32,-0.2 -2,-0.2 0.766 101.7 61.9 -64.8 -21.7 28.7 9.1 34.8 114 117 A S G << S+ 0 0 5 -4,-1.7 -111,-3.2 -3,-0.5 -1,-0.3 0.372 97.0 70.2 -84.4 3.0 29.5 8.1 31.2 115 118 A V S < S- 0 0 3 -3,-1.9 31,-1.4 -113,-0.2 42,-0.1 -0.979 81.1-123.4-128.2 131.0 31.4 11.4 30.6 116 119 A P B -K 145 0H 15 0, 0.0 2,-0.4 0, 0.0 -108,-0.3 -0.235 16.8-130.7 -69.7 163.5 34.8 12.5 32.1 117 120 A L - 0 0 2 27,-2.8 5,-0.1 -110,-0.1 -110,-0.1 -0.896 38.8 -88.7-112.8 136.4 35.5 15.6 34.1 118 121 A D >> - 0 0 14 -110,-0.5 3,-2.5 -2,-0.4 4,-1.4 -0.256 35.3-135.1 -46.7 118.5 38.5 17.9 33.4 119 122 A E H 3> S+ 0 0 136 1,-0.3 4,-0.5 2,-0.2 -1,-0.1 0.804 103.7 56.7 -47.1 -39.2 41.5 16.5 35.4 120 123 A D H 34 S+ 0 0 110 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.573 110.9 43.2 -73.4 -12.3 42.4 20.0 36.6 121 124 A F H X4 S+ 0 0 1 -3,-2.5 3,-1.9 2,-0.1 4,-0.4 0.640 89.0 87.6-105.8 -21.7 39.0 20.5 38.1 122 125 A R H >< S+ 0 0 36 -4,-1.4 3,-1.6 1,-0.3 21,-0.5 0.794 78.9 66.8 -46.4 -37.3 38.6 17.0 39.7 123 126 A K G >< S+ 0 0 85 -4,-0.5 3,-1.2 1,-0.3 -1,-0.3 0.834 94.4 57.7 -55.9 -35.8 40.4 18.3 42.9 124 127 A Y G < S+ 0 0 40 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.610 93.7 65.8 -74.0 -12.9 37.4 20.6 43.6 125 128 A T G < S+ 0 0 0 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.260 74.6 144.7 -90.5 8.8 34.9 17.7 43.8 126 129 A A < + 0 0 0 -3,-1.2 -68,-1.6 16,-0.1 2,-0.3 -0.197 22.7 175.8 -53.0 127.7 36.7 16.3 46.9 127 130 A F E -dE 58 141C 0 14,-2.9 14,-2.5 -70,-0.2 2,-0.4 -0.941 18.7-140.0-135.0 159.1 34.4 14.6 49.5 128 131 A T E - 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