==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-MAY-09 3HB8 . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.M.GIBSON,L.L.LOVELACE,L LEBIODA . 1405 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57100.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 989 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 193 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 . 151 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 171 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 343 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.1 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 2 4 5 7 1 1 0 5 4 3 3 0 0 0 1 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 11 1 9 4 0 0 0 6 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 0 1 4 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 26 A P 0 0 174 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 114.3 45.7 0.4 81.8 2 27 A P - 0 0 110 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.363 360.0 -87.3 -70.5 148.6 45.5 -0.3 85.6 3 28 A H > - 0 0 45 1,-0.1 3,-1.4 245,-0.1 4,-0.3 -0.250 34.7-127.3 -55.8 140.3 44.4 -3.7 86.8 4 29 A G T >> S+ 0 0 15 1,-0.3 3,-1.7 2,-0.2 4,-0.7 0.819 103.3 68.2 -61.7 -35.2 40.7 -4.0 87.1 5 30 A E H 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.633 82.1 79.6 -61.4 -13.6 40.7 -5.2 90.7 6 31 A L H <> S+ 0 0 80 -3,-1.4 4,-2.3 1,-0.2 -1,-0.3 0.827 87.3 55.4 -64.1 -31.8 42.0 -1.8 91.7 7 32 A Q H <> S+ 0 0 88 -3,-1.7 4,-2.5 -4,-0.3 -1,-0.2 0.937 108.4 48.0 -65.9 -47.8 38.5 -0.4 91.6 8 33 A Y H X S+ 0 0 2 -4,-0.7 4,-1.7 1,-0.2 3,-0.5 0.984 113.8 45.8 -56.8 -58.2 37.3 -3.0 94.0 9 34 A L H X S+ 0 0 12 -4,-2.5 4,-2.6 1,-0.3 -1,-0.2 0.855 111.2 54.7 -53.5 -36.2 40.2 -2.3 96.4 10 35 A G H X S+ 0 0 35 -4,-2.3 4,-2.4 1,-0.2 -1,-0.3 0.918 103.8 54.2 -63.9 -40.7 39.6 1.4 96.0 11 36 A Q H X S+ 0 0 12 -4,-2.5 4,-1.3 -3,-0.5 -1,-0.2 0.877 109.2 48.5 -60.2 -38.0 35.9 0.9 97.0 12 37 A I H >X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 3,-0.9 0.965 109.1 52.0 -65.8 -51.5 37.1 -0.8 100.2 13 38 A Q H 3X S+ 0 0 96 -4,-2.6 4,-2.4 1,-0.3 -2,-0.2 0.857 109.4 52.0 -50.9 -38.0 39.6 2.0 100.8 14 39 A H H 3X S+ 0 0 63 -4,-2.4 4,-2.3 2,-0.2 5,-0.4 0.793 103.6 55.8 -70.7 -30.5 36.7 4.4 100.4 15 40 A I H - 0 0 11 4,-2.1 3,-3.0 -2,-0.2 407,-0.1 -0.443 39.0 -80.9-101.0 176.7 23.1 -5.0 110.9 25 50 A R T 3 S+ 0 0 148 1,-0.3 406,-0.1 -2,-0.1 -2,-0.1 0.820 131.7 48.2 -44.1 -41.7 20.0 -7.2 111.5 26 51 A T T 3 S- 0 0 109 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.479 120.5-108.2 -81.7 -2.8 21.9 -9.1 114.3 27 52 A G S < S+ 0 0 40 -3,-3.0 -2,-0.1 1,-0.3 2,-0.1 0.268 71.5 145.3 93.8 -12.6 23.0 -5.8 115.9 28 53 A T - 0 0 56 -5,-0.1 -4,-2.1 1,-0.1 -1,-0.3 -0.328 50.9-113.2 -62.7 136.5 26.6 -6.4 114.7 29 54 A G E +A 23 0A 10 -6,-0.2 205,-2.3 -3,-0.1 206,-0.4 -0.492 38.4 172.8 -80.0 138.3 28.6 -3.3 113.8 30 55 A T E -AB 22 233A 0 -8,-1.4 -8,-2.3 203,-0.3 2,-0.5 -0.840 30.9-125.4-133.5 171.2 29.7 -2.5 110.2 31 56 A L E +AB 21 232A 24 201,-2.9 201,-1.8 -2,-0.3 2,-0.3 -0.987 44.1 166.1-120.2 119.0 31.3 0.3 108.3 32 57 A S E -AB 20 231A 2 -12,-2.6 -12,-1.7 -2,-0.5 2,-0.3 -0.925 32.1-163.0-142.2 164.5 29.3 1.3 105.2 33 58 A V E - B 0 230A 13 197,-1.8 197,-1.9 -2,-0.3 2,-0.5 -0.952 28.1-125.1-135.1 151.9 28.6 3.8 102.4 34 59 A F E S+ B 0 229A 5 -2,-0.3 195,-0.2 195,-0.2 194,-0.1 -0.902 76.2 13.1-106.6 126.1 25.4 4.0 100.3 35 60 A G E + 0 0 2 193,-3.1 2,-0.3 -2,-0.5 193,-0.2 0.762 65.5 164.8 81.6 110.6 25.7 3.8 96.5 36 61 A M E - B 0 227A 15 191,-1.2 191,-2.6 -3,-0.1 2,-0.3 -0.962 15.2-159.5-148.8 162.0 28.9 2.8 94.7 37 62 A Q E + B 0 226A 43 -2,-0.3 2,-0.3 189,-0.2 189,-0.2 -0.987 7.8 180.0-151.6 138.6 29.9 1.7 91.2 38 63 A A E - B 0 225A 1 187,-1.4 187,-3.5 -2,-0.3 2,-0.5 -0.980 16.4-146.0-137.0 148.3 32.7 -0.2 89.6 39 64 A R E - B 0 224A 73 -2,-0.3 2,-0.5 185,-0.2 185,-0.2 -0.965 13.8-172.4-120.3 118.7 33.4 -1.2 86.0 40 65 A Y E - B 0 223A 1 183,-2.8 183,-3.2 -2,-0.5 2,-0.3 -0.939 19.6-134.3-111.8 124.6 35.1 -4.4 85.2 41 66 A S E - B 0 222A 38 -2,-0.5 181,-0.2 181,-0.2 180,-0.1 -0.574 13.0-168.0 -79.1 141.2 36.1 -5.2 81.6 42 67 A L + 0 0 1 179,-3.0 2,-0.8 -2,-0.3 3,-0.3 0.140 47.6 122.8-110.0 13.4 35.3 -8.7 80.4 43 68 A R S S- 0 0 71 178,-0.3 -2,-0.1 1,-0.2 178,-0.1 -0.708 94.4 -24.2 -85.9 110.4 37.5 -8.4 77.3 44 69 A D S S+ 0 0 106 -2,-0.8 2,-0.3 176,-0.1 -1,-0.2 0.681 131.2 62.0 63.8 18.7 40.0 -11.1 77.1 45 70 A E S S- 0 0 64 -3,-0.3 208,-0.3 208,-0.1 -1,-0.1 -0.961 71.8-130.1-167.7 154.9 39.9 -11.6 80.9 46 71 A F - 0 0 0 206,-3.0 2,-2.0 -2,-0.3 -4,-0.1 -0.949 23.4-129.0-114.9 131.3 37.6 -12.6 83.7 47 72 A P + 0 0 0 0, 0.0 2,-1.0 0, 0.0 159,-0.1 -0.403 49.6 149.6 -78.0 60.8 37.3 -10.4 86.9 48 73 A L - 0 0 0 -2,-2.0 -2,-0.1 204,-0.1 152,-0.1 -0.850 54.3-115.3 -96.6 99.8 37.9 -13.1 89.4 49 74 A L - 0 0 3 -2,-1.0 5,-0.2 150,-0.2 3,-0.1 0.047 28.6-168.5 -40.0 135.6 39.6 -11.2 92.2 50 75 A T S S+ 0 0 0 199,-0.1 229,-3.2 1,-0.1 -1,-0.1 0.707 72.5 79.2-102.3 -23.6 43.1 -12.2 93.1 51 76 A T S S+ 0 0 0 1,-0.2 2,-0.3 227,-0.2 -1,-0.1 0.548 115.9 10.8 -65.7 0.8 43.8 -10.4 96.4 52 77 A K S S- 0 0 69 -3,-0.1 -1,-0.2 229,-0.0 229,-0.0 -0.866 94.7 -95.6-173.0 138.9 41.9 -13.3 97.9 53 78 A R - 0 0 155 226,-0.6 2,-0.4 -2,-0.3 -3,-0.1 -0.279 34.1-145.2 -64.6 143.8 40.7 -16.6 96.5 54 79 A V - 0 0 10 -5,-0.2 2,-2.7 145,-0.1 3,-0.2 -0.919 22.5-115.6-111.6 138.1 37.1 -16.8 95.2 55 80 A F >> + 0 0 97 -2,-0.4 4,-2.0 1,-0.2 3,-0.5 -0.397 44.0 170.8 -71.3 71.1 34.9 -19.9 95.6 56 81 A W H 3> S+ 0 0 41 -2,-2.7 4,-2.7 1,-0.2 5,-0.3 0.913 70.5 57.5 -49.7 -55.1 34.6 -20.5 91.8 57 82 A K H 3> S+ 0 0 97 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.880 109.5 47.7 -45.0 -43.9 33.0 -23.9 92.0 58 83 A G H <> S+ 0 0 0 -3,-0.5 4,-2.7 2,-0.2 5,-0.3 0.935 111.6 50.8 -63.4 -45.9 30.2 -22.3 94.0 59 84 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.957 115.4 39.7 -54.2 -59.3 30.0 -19.5 91.5 60 85 A L H X S+ 0 0 12 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.920 119.2 44.9 -59.5 -50.0 29.6 -21.7 88.5 61 86 A E H X S+ 0 0 20 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.929 111.7 52.0 -64.3 -47.6 27.4 -24.4 90.0 62 87 A E H X S+ 0 0 17 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.905 109.4 50.3 -57.4 -43.6 25.1 -21.9 91.7 63 88 A L H X S+ 0 0 3 -4,-2.1 4,-2.8 -5,-0.3 3,-0.4 0.972 109.6 49.2 -59.8 -53.2 24.5 -20.0 88.4 64 89 A L H X S+ 0 0 13 -4,-2.2 4,-1.8 1,-0.3 -1,-0.2 0.834 109.7 56.4 -52.5 -31.8 23.7 -23.2 86.5 65 90 A W H X>S+ 0 0 3 -4,-1.8 5,-1.3 2,-0.2 4,-0.5 0.913 106.3 46.6 -67.2 -45.3 21.4 -23.8 89.5 66 91 A F H ><5S+ 0 0 9 -4,-2.1 3,-1.3 -3,-0.4 -2,-0.2 0.910 109.1 56.3 -64.1 -41.4 19.5 -20.5 88.9 67 92 A I H 3<5S+ 0 0 3 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.894 101.8 54.9 -59.2 -40.2 19.3 -21.2 85.2 68 93 A K H 3<5S- 0 0 114 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.665 111.4-124.0 -67.2 -14.0 17.5 -24.6 85.8 69 94 A G T <<5 + 0 0 13 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.589 52.2 166.2 80.5 9.4 15.0 -22.6 87.9 70 95 A S < + 0 0 20 -5,-1.3 41,-0.4 41,-0.1 -1,-0.2 -0.289 27.4 177.6 -62.4 139.4 15.7 -24.8 90.8 71 96 A T + 0 0 6 53,-0.4 35,-2.5 40,-0.1 2,-0.6 0.088 54.9 100.0-126.1 18.7 14.4 -23.7 94.2 72 97 A N B >> -F 105 0B 17 33,-0.2 3,-1.7 1,-0.1 4,-0.7 -0.904 57.0-159.9-112.6 105.9 15.6 -26.9 96.0 73 98 A A H >> S+ 0 0 1 31,-2.1 4,-2.9 -2,-0.6 3,-0.6 0.777 89.7 69.2 -50.5 -32.3 18.9 -26.3 97.9 74 99 A K H 3> S+ 0 0 100 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.903 94.0 56.3 -55.5 -41.4 19.4 -30.1 97.9 75 100 A E H <4 S+ 0 0 72 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.821 112.6 40.4 -61.2 -34.2 20.0 -29.9 94.1 76 101 A L H X<>S+ 0 0 1 -4,-0.7 5,-1.3 -3,-0.6 3,-1.3 0.832 112.8 56.0 -82.1 -34.6 22.8 -27.4 94.6 77 102 A S H ><5S+ 0 0 25 -4,-2.9 3,-2.7 1,-0.3 -2,-0.2 0.906 96.2 63.5 -62.7 -43.1 24.1 -29.3 97.6 78 103 A S T 3<5S+ 0 0 84 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.1 0.572 98.7 59.2 -59.0 -8.6 24.5 -32.5 95.6 79 104 A K T < 5S- 0 0 83 -3,-1.3 -1,-0.3 2,-0.3 -2,-0.2 0.448 126.1 -96.7-100.3 -3.5 27.0 -30.6 93.5 80 105 A G T < 5S+ 0 0 30 -3,-2.7 2,-0.6 1,-0.3 -3,-0.2 0.359 92.2 114.6 103.8 -3.9 29.4 -29.8 96.4 81 106 A V < + 0 0 0 -5,-1.3 -2,-0.3 1,-0.1 -1,-0.3 -0.899 30.6 168.1-105.3 117.3 28.0 -26.3 97.0 82 107 A K >> + 0 0 116 -2,-0.6 3,-1.1 1,-0.1 4,-0.6 0.315 41.0 113.1-109.1 7.1 26.3 -25.9 100.4 83 108 A I T 34 S+ 0 0 74 1,-0.3 4,-0.2 2,-0.1 -1,-0.1 0.676 87.6 38.9 -56.1 -16.2 26.0 -22.1 100.5 84 109 A W T >> S+ 0 0 22 -3,-0.2 3,-0.6 -11,-0.2 4,-0.6 0.577 90.0 88.9-108.4 -12.4 22.2 -22.4 100.3 85 110 A D G X4 S+ 0 0 37 -3,-1.1 3,-1.2 1,-0.2 4,-0.2 0.816 77.3 67.2 -54.9 -35.8 21.6 -25.5 102.5 86 111 A A G >< S+ 0 0 67 -4,-0.6 3,-1.7 1,-0.3 -1,-0.2 0.931 101.7 46.1 -50.3 -53.6 21.3 -23.4 105.7 87 112 A N G <4 S+ 0 0 30 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.592 107.8 59.4 -68.4 -11.8 18.0 -21.8 104.5 88 113 A G G << S+ 0 0 5 -3,-1.2 16,-0.8 -4,-0.6 -1,-0.3 0.315 79.1 125.0 -99.3 8.2 16.8 -25.2 103.5 89 114 A S <> - 0 0 36 -3,-1.7 4,-1.9 -4,-0.2 5,-0.2 -0.359 66.1-126.1 -69.8 146.3 17.1 -26.7 107.0 90 115 A R H >> S+ 0 0 71 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.970 109.9 38.5 -54.7 -63.7 14.0 -28.3 108.6 91 116 A D H 3> S+ 0 0 116 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.786 110.7 63.1 -60.2 -29.0 14.1 -26.3 111.8 92 117 A F H 34 S+ 0 0 65 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.917 105.0 45.3 -62.0 -45.1 15.1 -23.1 109.9 93 118 A L H XX>S+ 0 0 1 -4,-1.9 3,-2.6 -3,-0.5 5,-1.7 0.940 104.9 61.0 -64.4 -49.2 11.8 -23.2 107.9 94 119 A D H ><5S+ 0 0 72 -4,-1.8 3,-1.0 1,-0.3 5,-0.3 0.853 101.7 53.2 -47.6 -42.1 9.6 -23.8 111.0 95 120 A S T 3<5S+ 0 0 96 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.622 108.5 51.1 -71.1 -12.7 10.8 -20.5 112.5 96 121 A L T <45S- 0 0 76 -3,-2.6 -1,-0.3 -4,-0.4 -2,-0.2 0.503 123.0-104.4-100.1 -6.3 9.8 -18.7 109.3 97 122 A G T <<5S+ 0 0 53 -3,-1.0 -3,-0.2 -4,-0.8 3,-0.2 0.729 91.1 114.0 90.2 25.7 6.3 -20.3 109.3 98 123 A F > < + 0 0 26 -5,-1.7 3,-2.4 1,-0.1 -4,-0.3 -0.187 21.6 140.0-119.2 38.8 6.9 -22.8 106.6 99 124 A S T 3 S+ 0 0 78 -5,-0.3 -5,-0.1 1,-0.3 -1,-0.1 0.705 70.2 62.6 -54.1 -19.5 6.6 -25.9 108.7 100 125 A T T 3 S+ 0 0 120 -3,-0.2 -1,-0.3 -7,-0.1 2,-0.1 0.679 86.2 89.0 -81.6 -20.5 4.7 -27.4 105.7 101 126 A R S < S- 0 0 25 -3,-2.4 2,-0.1 1,-0.1 -7,-0.1 -0.451 76.0-121.5 -80.1 154.3 7.7 -27.2 103.3 102 127 A E > - 0 0 73 -2,-0.1 3,-1.6 1,-0.1 2,-0.5 -0.383 44.7 -73.8 -88.0 168.7 10.2 -30.0 102.9 103 128 A E T 3 S+ 0 0 90 1,-0.2 -14,-0.2 -2,-0.1 -29,-0.1 -0.504 122.2 27.4 -68.3 116.6 13.9 -29.7 103.5 104 129 A G T 3 S+ 0 0 1 -16,-0.8 -31,-2.1 -2,-0.5 2,-0.8 -0.036 79.6 128.4 123.8 -29.8 15.4 -27.8 100.6 105 130 A D B < +F 72 0B 0 -3,-1.6 -1,-0.3 -17,-0.2 -33,-0.2 -0.468 26.0 171.9 -65.1 104.9 12.3 -25.7 99.6 106 131 A L - 0 0 0 -35,-2.5 60,-1.4 -2,-0.8 61,-0.2 0.605 37.7-129.8 -89.9 -17.1 13.7 -22.2 99.5 107 132 A G - 0 0 0 -36,-0.5 2,-2.0 58,-0.2 -1,-0.3 -0.587 61.0 -17.7 99.2-163.5 10.6 -20.6 98.0 108 133 A P S S+ 0 0 0 0, 0.0 5,-0.4 0, 0.0 57,-0.1 -0.133 90.2 152.5 -74.4 47.9 10.3 -18.3 95.0 109 134 A V > - 0 0 6 -2,-2.0 4,-1.9 55,-0.1 3,-0.4 0.129 62.5 -56.9 -68.0-174.4 14.0 -17.5 95.0 110 135 A Y H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.793 133.2 51.2 -30.1 -62.8 16.3 -16.4 92.1 111 136 A G H > S+ 0 0 0 -41,-0.4 4,-1.7 1,-0.2 3,-0.4 0.948 113.6 44.8 -44.7 -60.4 15.8 -19.4 90.0 112 137 A F H >> S+ 0 0 1 -3,-0.4 4,-2.4 -5,-0.3 3,-0.6 0.928 114.3 47.4 -50.1 -56.5 12.0 -19.1 90.2 113 138 A Q H 3X S+ 0 0 1 -4,-1.9 4,-0.6 -5,-0.4 22,-0.4 0.796 109.0 57.7 -57.9 -31.1 11.9 -15.3 89.6 114 139 A W H 3< S+ 0 0 2 -4,-2.4 22,-1.7 -3,-0.4 21,-0.5 0.865 124.4 15.6 -70.0 -37.2 14.2 -15.7 86.7 115 140 A R H << S+ 0 0 16 -4,-1.7 -2,-0.2 -3,-0.6 -1,-0.2 0.410 136.0 31.6-122.3 4.2 12.1 -18.1 84.7 116 141 A H H >< S+ 0 0 34 -4,-2.4 3,-2.3 -5,-0.2 18,-0.2 -0.036 71.9 171.7-151.2 35.6 8.6 -18.0 86.1 117 142 A F B 3< S+G 133 0C 0 16,-1.9 16,-1.9 -4,-0.6 3,-0.1 -0.224 72.9 15.3 -53.0 132.3 8.2 -14.4 87.4 118 143 A G T 3 S+ 0 0 8 1,-0.3 -1,-0.3 14,-0.2 14,-0.2 0.215 94.6 130.8 89.1 -17.4 4.6 -13.8 88.5 119 144 A A S < S- 0 0 5 -3,-2.3 2,-0.9 12,-0.2 -1,-0.3 -0.260 70.4-100.2 -67.9 158.0 3.7 -17.4 88.6 120 145 A E - 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