==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-JUL-09 3IG1 . COMPND 2 MOLECULE: HIV-1 REVERSE TRANSCRIPTASE P66 SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 . AUTHOR D.M.HIMMEL,K.A.MAEGLEY,T.A.PAULY,E.ARNOLD . 961 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47548.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 589 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 7 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 . 76 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 3 1 0 2 2 0 1 1 1 2 2 0 3 1 0 1 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 1 4 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 PARALLEL BRIDGES PER LADDER . 4 3 8 0 4 5 1 2 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 . 5 4 3 2 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 3 A S 0 0 144 0, 0.0 4,-0.1 0, 0.0 210,-0.1 0.000 360.0 360.0 360.0 -39.1 57.5 -17.9 64.7 2 4 A P + 0 0 70 0, 0.0 2,-0.2 0, 0.0 209,-0.1 0.753 360.0 87.7 -66.7 -23.9 60.2 -17.9 61.9 3 5 A I S S- 0 0 17 207,-0.2 2,-0.5 208,-0.1 158,-0.0 -0.507 83.3-118.5 -80.9 146.3 58.1 -15.8 59.6 4 6 A E - 0 0 157 -2,-0.2 115,-0.1 157,-0.1 -1,-0.1 -0.726 33.4-122.9 -83.9 121.2 58.1 -12.0 59.7 5 7 A T - 0 0 52 -2,-0.5 113,-0.1 113,-0.1 -1,-0.1 -0.363 20.9-120.6 -66.7 141.7 54.6 -10.7 60.5 6 8 A V - 0 0 20 111,-0.4 2,-0.4 -2,-0.1 113,-0.4 -0.628 28.9-113.6 -82.4 140.2 53.0 -8.3 58.1 7 9 A P - 0 0 70 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.634 37.8-167.0 -77.4 124.4 52.2 -4.9 59.5 8 10 A V - 0 0 11 -2,-0.4 2,-0.4 74,-0.0 592,-0.0 -0.942 8.6-168.4-122.0 136.9 48.4 -4.3 59.7 9 11 A K - 0 0 142 -2,-0.4 74,-2.4 591,-0.1 2,-0.0 -0.939 22.6-125.3-123.3 141.0 46.3 -1.2 60.3 10 12 A L B -A 82 0A 22 -2,-0.4 72,-0.3 72,-0.2 3,-0.1 -0.379 56.9 -77.5 -71.0 160.3 42.6 -0.6 61.0 11 13 A K > - 0 0 51 70,-2.5 3,-1.4 1,-0.1 -1,-0.2 -0.206 66.4 -80.2 -58.0 154.7 41.1 1.8 58.5 12 14 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.369 113.2 6.2 -62.0 128.4 41.9 5.5 59.2 13 15 A G T 3 S+ 0 0 92 1,-0.3 2,-0.2 -2,-0.1 -2,-0.1 0.255 103.9 117.2 87.6 -12.9 39.8 7.1 61.9 14 16 A M < - 0 0 83 -3,-1.4 -1,-0.3 67,-0.1 2,-0.2 -0.592 51.5-149.4 -90.2 149.4 38.1 3.8 62.8 15 17 A D - 0 0 69 -2,-0.2 -4,-0.1 1,-0.2 3,-0.1 -0.642 35.5 -70.1-111.7 172.5 38.4 2.1 66.1 16 18 A G - 0 0 3 -2,-0.2 2,-0.9 1,-0.1 -1,-0.2 -0.090 57.9 -92.0 -59.8 156.9 38.3 -1.6 67.1 17 19 A P - 0 0 1 0, 0.0 38,-2.4 0, 0.0 2,-0.7 -0.631 38.1-170.1 -79.6 103.9 35.1 -3.7 66.8 18 20 A K + 0 0 119 -2,-0.9 2,-0.3 36,-0.2 36,-0.1 -0.854 22.0 164.1 -91.8 118.5 33.3 -3.6 70.1 19 21 A V - 0 0 39 -2,-0.7 2,-0.4 36,-0.0 37,-0.1 -0.861 36.0-111.4-131.9 166.0 30.5 -6.2 69.8 20 22 A K - 0 0 179 -2,-0.3 2,-0.3 35,-0.1 35,-0.0 -0.855 27.3-126.2-103.9 136.7 28.2 -8.0 72.2 21 23 A Q - 0 0 43 -2,-0.4 109,-0.0 36,-0.1 3,-0.0 -0.619 19.0-131.0 -82.1 134.0 28.4 -11.8 72.8 22 24 A W - 0 0 138 -2,-0.3 36,-0.1 36,-0.2 -1,-0.0 -0.726 31.0-108.9 -85.4 125.8 25.3 -13.9 72.3 23 25 A P - 0 0 115 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.217 41.0-160.1 -55.3 139.4 24.5 -16.2 75.2 24 26 A L - 0 0 34 108,-0.2 2,-0.2 35,-0.0 35,-0.0 -0.724 18.3 -94.5-121.1 171.0 25.1 -19.9 74.5 25 27 A T >> - 0 0 65 -2,-0.2 3,-2.6 1,-0.1 4,-2.1 -0.575 34.4-114.4 -85.9 144.4 24.1 -23.4 75.7 26 28 A E H 3> S+ 0 0 122 1,-0.3 4,-2.0 -2,-0.2 5,-0.2 0.781 119.3 55.7 -44.4 -30.9 26.3 -25.4 78.2 27 29 A E H 3> S+ 0 0 115 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.727 108.7 44.4 -77.8 -24.0 26.7 -27.9 75.3 28 30 A K H <> S+ 0 0 65 -3,-2.6 4,-1.6 2,-0.1 -2,-0.2 0.757 117.1 45.6 -89.4 -28.9 28.1 -25.3 72.9 29 31 A I H X S+ 0 0 18 -4,-2.1 4,-2.3 2,-0.2 5,-0.4 0.962 106.3 55.9 -76.9 -56.8 30.4 -23.7 75.5 30 32 A K H X S+ 0 0 138 -4,-2.0 4,-1.0 1,-0.2 -3,-0.1 0.918 111.8 46.1 -39.6 -59.3 31.9 -26.9 77.0 31 33 A A H >X S+ 0 0 12 -4,-0.7 3,-2.7 -5,-0.2 4,-1.7 0.966 109.4 54.8 -46.5 -63.3 33.0 -27.8 73.5 32 34 A L H 3X S+ 0 0 0 -4,-1.6 4,-3.8 1,-0.3 5,-0.3 0.871 103.3 52.4 -40.3 -59.8 34.4 -24.4 72.7 33 35 A V H 3X S+ 0 0 48 -4,-2.3 4,-2.3 2,-0.2 -1,-0.3 0.783 114.4 49.8 -49.1 -26.1 36.7 -24.3 75.8 34 36 A E H X S+ 0 0 119 -4,-2.0 4,-1.7 2,-0.2 3,-0.8 0.953 112.7 50.3 -71.3 -51.3 43.8 -27.1 72.0 39 41 A M H 3<>S+ 0 0 15 -4,-1.7 5,-2.2 -5,-0.3 6,-0.8 0.865 107.8 53.3 -53.9 -41.2 44.1 -24.0 69.8 40 42 A E H 3<5S+ 0 0 67 -4,-3.5 -1,-0.3 1,-0.2 3,-0.2 0.819 106.4 56.3 -65.0 -28.2 45.7 -22.1 72.7 41 43 A K H <<5S+ 0 0 162 -4,-0.8 -2,-0.2 -3,-0.8 -1,-0.2 0.877 103.8 48.7 -72.6 -40.1 48.2 -25.0 72.9 42 44 A E T <5S- 0 0 129 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.568 119.2-116.0 -74.3 -6.2 49.3 -24.8 69.2 43 45 A G T 5S+ 0 0 37 -4,-0.5 -3,-0.2 -5,-0.3 -2,-0.1 0.635 78.9 131.8 80.8 14.7 49.7 -21.1 70.1 44 46 A K S - 0 0 29 -2,-0.3 3,-0.6 1,-0.1 -1,-0.2 0.086 46.0 -89.4 -55.0-176.6 43.6 -10.5 80.7 50 52 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.834 114.1 74.5 -62.5 -35.6 40.3 -9.0 81.9 51 53 A E T 3 + 0 0 142 2,-0.0 -2,-0.0 0, 0.0 -3,-0.0 0.242 54.7 108.7 -68.0 -9.1 41.4 -5.6 80.3 52 54 A N < - 0 0 25 -3,-0.6 73,-0.0 1,-0.1 -4,-0.0 -0.532 52.9-150.7 -73.7 150.9 41.2 -5.6 76.4 53 55 A P + 0 0 82 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.445 63.8 82.2-100.3 -1.4 38.3 -3.3 75.1 54 56 A Y + 0 0 22 70,-0.3 2,-0.3 -36,-0.1 -36,-0.2 -0.643 51.3 179.9-105.0 162.4 37.4 -5.1 71.8 55 57 A N - 0 0 13 -38,-2.4 73,-0.3 -2,-0.2 72,-0.1 -0.989 16.1-161.6-160.2 150.8 35.3 -8.1 71.0 56 58 A T B -c 128 0B 2 71,-0.7 73,-0.8 -2,-0.3 2,-0.2 -0.977 38.0-100.3-132.0 144.8 34.0 -10.3 68.3 57 59 A P - 0 0 5 0, 0.0 17,-2.6 0, 0.0 2,-0.5 -0.461 33.1-152.1 -68.6 130.0 31.0 -12.7 68.4 58 60 A V E +E 73 0C 0 71,-0.4 2,-0.3 -2,-0.2 15,-0.2 -0.922 17.5 176.0-109.2 125.4 31.9 -16.4 68.9 59 61 A F E -E 72 0C 61 13,-3.1 13,-2.4 -2,-0.5 2,-0.4 -0.798 13.3-154.9-120.6 160.4 29.5 -19.1 67.6 60 62 A A E +E 71 0C 4 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.935 21.7 156.2-145.4 121.5 29.9 -22.9 67.5 61 63 A I E -E 70 0C 66 9,-1.2 9,-3.3 -2,-0.4 -2,-0.0 -0.857 36.1 -70.7-141.2 175.4 28.3 -25.4 65.2 62 64 A K E -E 69 0C 96 -2,-0.3 7,-0.2 7,-0.2 3,-0.1 -0.039 17.2-164.1 -64.7 156.3 28.4 -28.9 63.5 63 65 A K S S- 0 0 83 5,-0.7 2,-0.3 1,-0.5 4,-0.1 0.612 76.5 -6.8-118.9 -15.7 30.7 -30.4 60.8 64 66 A K S S- 0 0 132 4,-0.3 -1,-0.5 2,-0.1 4,-0.4 -0.902 76.8-101.2-160.4 170.8 28.8 -33.5 59.5 65 67 A D S S+ 0 0 168 -2,-0.3 2,-2.5 1,-0.2 -3,-0.0 0.705 115.3 88.0 -78.1 -8.3 25.7 -35.1 60.8 66 68 A S S S- 0 0 91 1,-0.0 -3,-0.2 -3,-0.0 -1,-0.2 -0.638 103.8-127.8 -76.2 78.9 28.5 -37.3 62.3 67 69 A T + 0 0 94 -2,-2.5 2,-0.3 -4,-0.1 -2,-0.1 -0.103 54.6 135.7 -58.6 126.2 28.2 -34.6 65.0 68 70 A K - 0 0 147 -4,-0.4 -5,-0.7 2,-0.0 2,-0.5 -0.913 47.3-115.9-150.3 164.0 31.0 -32.6 66.4 69 71 A W E -E 62 0C 75 -2,-0.3 -7,-0.2 -7,-0.2 2,-0.2 -0.950 28.5-175.3-116.1 120.4 31.3 -28.9 67.1 70 72 A R E -E 61 0C 113 -9,-3.3 -9,-1.2 -2,-0.5 2,-0.4 -0.628 30.9 -98.5-103.4 168.8 33.8 -26.7 65.3 71 73 A K E -E 60 0C 28 -2,-0.2 2,-0.4 -11,-0.2 -11,-0.2 -0.736 32.3-174.6 -97.1 138.2 34.5 -23.0 66.0 72 74 A L E -E 59 0C 91 -13,-2.4 -13,-3.1 -2,-0.4 2,-0.5 -0.989 5.6-163.6-131.8 124.3 33.0 -20.0 64.0 73 75 A V E -E 58 0C 13 -2,-0.4 2,-1.6 76,-0.3 -15,-0.2 -0.917 18.0-137.5-111.8 130.1 34.0 -16.4 64.6 74 76 A D + 0 0 31 -17,-2.6 2,-1.9 -2,-0.5 3,-0.5 -0.599 26.2 175.2 -86.8 80.5 31.8 -13.6 63.2 75 77 A F + 0 0 7 -2,-1.6 4,-0.3 1,-0.2 -1,-0.1 -0.456 38.3 118.4 -84.3 65.7 34.4 -11.2 61.8 76 78 A R S > S+ 0 0 76 -2,-1.9 4,-1.1 2,-0.1 -1,-0.2 0.864 74.7 38.5 -96.9 -49.2 31.9 -8.8 60.3 77 79 A E H > S+ 0 0 69 -3,-0.5 4,-1.3 1,-0.2 -2,-0.1 0.868 118.9 51.1 -69.7 -36.2 32.5 -5.5 62.2 78 80 A L H 4 S+ 0 0 1 -4,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.801 105.4 53.8 -72.1 -33.5 36.3 -6.2 62.1 79 81 A N H 4 S+ 0 0 45 -4,-0.3 3,-0.3 1,-0.2 -1,-0.2 0.773 109.2 50.4 -71.4 -27.5 36.3 -6.9 58.3 80 82 A K H < S+ 0 0 89 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.829 113.9 45.8 -69.3 -37.4 34.6 -3.5 57.8 81 83 A R S < S+ 0 0 78 -4,-1.3 -70,-2.5 -5,-0.1 2,-0.4 0.358 93.3 96.7 -92.8 7.0 37.3 -1.8 60.0 82 84 A T B S-A 10 0A 0 -4,-0.4 -72,-0.2 -72,-0.3 3,-0.1 -0.803 82.7 -92.5-106.1 135.6 40.4 -3.4 58.6 83 85 A Q - 0 0 23 -74,-2.4 -1,-0.1 -2,-0.4 -72,-0.1 0.029 43.8-106.6 -46.5 140.3 42.7 -1.9 55.9 84 86 A D - 0 0 62 516,-0.1 2,-0.2 1,-0.0 -1,-0.1 -0.348 39.4-160.2 -61.4 145.9 42.0 -2.7 52.3 85 87 A F - 0 0 22 517,-0.1 2,-1.1 516,-0.1 515,-0.2 -0.739 26.1 -95.1-122.3 174.2 44.6 -5.1 50.8 86 88 A W - 0 0 35 513,-1.1 2,-0.4 -2,-0.2 3,-0.1 -0.718 23.7-167.8 -97.2 90.6 45.6 -5.9 47.3 87 89 A E - 0 0 138 -2,-1.1 3,-0.3 1,-0.2 69,-0.0 -0.688 32.1-151.5 -63.7 127.4 43.7 -9.0 46.0 88 90 A V - 0 0 29 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.984 59.9 -18.2 -86.4 -59.6 46.2 -9.0 43.0 89 91 A Q - 0 0 58 2,-0.1 2,-4.3 -3,-0.1 -1,-0.3 -0.846 62.2-156.5-136.7 96.8 44.9 -10.3 39.9 90 92 A L + 0 0 128 -2,-0.3 2,-0.2 -3,-0.3 -3,-0.0 -0.373 50.6 141.7 -76.5 70.2 42.0 -12.2 41.1 91 93 A G - 0 0 15 -2,-4.3 -2,-0.1 592,-0.0 -3,-0.1 -0.622 50.2-132.4-105.1 163.3 42.6 -14.0 37.9 92 94 A I - 0 0 41 -2,-0.2 591,-0.1 89,-0.0 -2,-0.1 -0.951 20.2-124.4-130.4 110.5 42.2 -17.8 37.5 93 95 A P - 0 0 3 0, 0.0 590,-0.1 0, 0.0 287,-0.1 -0.288 24.1-135.4 -62.4 129.6 45.0 -19.8 35.7 94 96 A H > - 0 0 2 1,-0.1 3,-3.3 588,-0.1 4,-0.5 -0.720 8.4-133.1 -90.6 129.9 43.6 -21.8 32.7 95 97 A P G > S+ 0 0 0 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.859 107.6 60.8 -45.9 -41.8 44.8 -25.4 32.3 96 98 A A G 3 S+ 0 0 0 1,-0.3 252,-0.1 251,-0.2 219,-0.0 0.494 93.3 67.4 -67.4 -1.2 45.5 -24.8 28.6 97 99 A G G < S+ 0 0 13 -3,-3.3 -1,-0.3 219,-0.1 2,-0.2 0.663 83.0 92.8 -89.0 -19.4 48.0 -22.2 29.8 98 100 A L S < S- 0 0 3 -3,-2.1 219,-2.4 -4,-0.5 2,-0.3 -0.479 71.6-138.6 -74.4 142.4 50.2 -24.9 31.3 99 101 A K B -f 317 0D 97 217,-0.2 2,-0.4 -2,-0.2 219,-0.1 -0.685 31.5 -86.8-101.4 158.2 53.0 -26.3 29.1 100 102 A K + 0 0 122 217,-0.6 2,-0.3 -2,-0.3 135,-0.1 -0.498 54.4 163.7 -67.6 117.0 54.0 -29.9 28.7 101 103 A K - 0 0 56 -2,-0.4 89,-0.2 133,-0.2 3,-0.1 -0.739 35.6-131.8-121.6 168.5 56.4 -30.7 31.5 102 104 A K S S+ 0 0 148 87,-0.9 2,-0.4 -2,-0.3 88,-0.2 0.908 83.8 41.5 -92.4 -54.2 57.1 -34.4 32.2 103 105 A S E +G 189 0E 5 86,-3.0 86,-2.3 88,-0.1 2,-0.3 -0.813 67.4 176.7 -99.4 136.3 56.9 -34.8 36.0 104 106 A V E -G 188 0E 22 -2,-0.4 2,-0.3 84,-0.2 84,-0.2 -0.960 9.1-180.0-138.7 156.3 54.2 -33.1 38.0 105 107 A T E -G 187 0E 33 82,-1.3 82,-2.7 -2,-0.3 2,-0.6 -0.935 15.1-150.1-158.7 132.8 53.1 -33.0 41.6 106 108 A V E -G 186 0E 33 -2,-0.3 2,-0.6 80,-0.2 80,-0.2 -0.920 9.6-167.0-112.4 112.9 50.4 -31.1 43.4 107 109 A L E -G 185 0E 8 78,-2.9 2,-1.4 -2,-0.6 78,-1.3 -0.893 15.1-144.0-101.2 119.6 51.0 -30.2 47.1 108 110 A D E -G 184 0E 78 -2,-0.6 2,-1.1 76,-0.2 3,-0.4 -0.636 20.1-177.9 -88.5 79.1 47.8 -29.0 48.9 109 111 A V + 0 0 18 -2,-1.4 105,-0.1 74,-1.3 -2,-0.0 -0.652 36.3 118.1 -76.8 98.7 48.9 -26.3 51.2 110 112 A G > + 0 0 33 -2,-1.1 3,-1.4 2,-0.1 4,-0.2 0.700 58.6 66.4-127.4 -41.6 45.8 -25.3 53.1 111 113 A D G > S+ 0 0 86 -3,-0.4 3,-0.7 1,-0.3 4,-0.4 0.568 86.5 87.7 -57.1 -14.2 46.3 -25.9 56.8 112 114 A A G 3 + 0 0 7 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.517 65.0 71.8 -71.7 -10.9 49.0 -23.2 56.5 113 115 A Y G X S+ 0 0 66 -3,-1.4 3,-1.4 1,-0.2 34,-0.7 0.884 96.9 52.3 -75.3 -33.0 47.0 -20.1 57.1 114 116 A F T < S+ 0 0 38 -3,-0.7 -1,-0.2 1,-0.3 -2,-0.2 0.783 105.5 60.4 -63.7 -26.1 46.7 -21.0 60.8 115 117 A S T 3 S+ 0 0 19 -4,-0.4 -1,-0.3 31,-0.1 -2,-0.2 0.374 84.5 90.9 -85.6 2.0 50.5 -21.3 60.7 116 118 A V S < S- 0 0 5 -3,-1.4 31,-2.3 31,-0.1 42,-0.1 -0.881 78.5-122.6-102.2 129.2 51.1 -17.7 59.7 117 119 A P B -I 146 0F 16 0, 0.0 -111,-0.4 0, 0.0 2,-0.4 -0.288 19.6-130.3 -68.0 151.8 51.7 -15.2 62.5 118 120 A L - 0 0 1 27,-2.3 5,-0.2 -113,-0.1 -113,-0.1 -0.830 39.6 -83.5-104.6 143.2 49.5 -12.1 62.8 119 121 A D >> - 0 0 18 -113,-0.4 3,-2.1 -2,-0.4 4,-1.3 -0.199 39.5-134.8 -45.7 117.4 50.9 -8.6 63.3 120 122 A E T 34 S+ 0 0 111 1,-0.3 4,-0.3 2,-0.2 3,-0.3 0.812 103.4 50.9 -45.2 -42.2 51.5 -8.4 67.1 121 123 A D T 34 S+ 0 0 123 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.661 111.8 47.7 -74.6 -16.0 50.0 -4.9 67.3 122 124 A F T X4 S+ 0 0 0 -3,-2.1 3,-1.9 1,-0.1 4,-0.2 0.607 86.5 84.8 -99.0 -15.8 46.8 -6.0 65.4 123 125 A R G >< S+ 0 0 25 -4,-1.3 3,-1.4 -3,-0.3 21,-0.6 0.732 78.3 69.4 -59.9 -23.8 46.1 -9.2 67.4 124 126 A K G 3 S+ 0 0 75 -4,-0.3 3,-0.4 1,-0.3 -70,-0.3 0.564 90.6 60.9 -73.8 -8.3 44.3 -7.2 70.0 125 127 A Y G < S+ 0 0 37 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.492 94.4 64.3 -94.0 -5.6 41.5 -6.4 67.6 126 128 A T S < S+ 0 0 0 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 0.223 71.4 139.1-101.0 12.8 40.7 -10.1 67.2 127 129 A A + 0 0 0 -3,-0.4 -71,-0.7 16,-0.1 2,-0.3 -0.346 26.1 176.9 -62.4 133.0 39.6 -10.6 70.8 128 130 A F E -cD 56 142B 0 14,-2.7 14,-2.1 -73,-0.3 2,-0.4 -0.920 19.6-131.3-134.5 162.0 36.6 -12.8 71.3 129 131 A T E - 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