==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-JUL-09 3IHI . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.DOWIERCIAL,A.JARMULA,W.R.RYPNIEWSKI,M.SOKOLOWSKA, . 563 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22724.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 398 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 14.6 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 59 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 24.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.0 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 3 1 4 0 0 0 2 2 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 2 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 0 2 4 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 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 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 21 A R 0 0 276 0, 0.0 2,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -38.9 113.0 -27.1 48.1 2 22 A H > - 0 0 51 1,-0.1 3,-1.9 245,-0.1 4,-0.4 -0.499 360.0-130.6 -57.7 128.5 109.3 -26.3 48.7 3 23 A G T >> S+ 0 0 14 1,-0.3 3,-1.1 -2,-0.2 4,-0.6 0.741 101.1 66.0 -57.8 -28.7 108.0 -25.3 45.1 4 24 A E H 3> S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 3,-0.3 0.732 83.2 76.0 -70.9 -17.4 106.3 -22.1 46.3 5 25 A L H <> S+ 0 0 54 -3,-1.9 4,-2.5 1,-0.2 -1,-0.3 0.857 88.9 59.3 -63.9 -30.7 109.8 -20.7 47.1 6 26 A Q H <> S+ 0 0 54 -3,-1.1 4,-1.8 -4,-0.4 -1,-0.2 0.906 106.5 45.8 -57.5 -43.0 110.2 -20.2 43.3 7 27 A Y H X S+ 0 0 1 -4,-0.6 4,-2.4 -3,-0.3 -2,-0.2 0.931 112.8 50.0 -68.3 -43.2 107.2 -17.9 43.1 8 28 A L H X S+ 0 0 14 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.903 110.3 50.1 -61.7 -42.2 108.2 -16.0 46.2 9 29 A R H X S+ 0 0 138 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.861 108.1 54.4 -66.2 -34.2 111.7 -15.5 44.8 10 30 A Q H X S+ 0 0 14 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.935 108.2 48.2 -57.9 -47.5 110.2 -14.2 41.6 11 31 A V H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.923 112.8 48.2 -61.2 -47.0 108.2 -11.6 43.5 12 32 A E H X S+ 0 0 77 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.939 108.4 55.3 -62.6 -38.8 111.3 -10.5 45.3 13 33 A H H X S+ 0 0 74 -4,-2.8 4,-3.2 1,-0.2 5,-0.4 0.917 109.6 46.2 -56.1 -47.4 113.2 -10.3 42.1 14 34 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.869 111.8 50.5 -65.1 -39.7 110.6 -8.0 40.6 15 35 A L H < S+ 0 0 40 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.876 120.6 35.9 -65.5 -37.4 110.5 -5.8 43.7 16 36 A R H < S+ 0 0 165 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.846 135.7 17.3 -80.2 -43.9 114.3 -5.5 43.7 17 37 A C H < S+ 0 0 60 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.2 0.498 91.5 113.2-118.3 -5.3 115.1 -5.4 40.0 18 38 A G < - 0 0 18 -4,-1.9 2,-0.4 -5,-0.4 14,-0.2 -0.275 57.2-129.0 -71.9 159.1 111.9 -4.6 38.1 19 39 A F E -A 31 0A 109 12,-2.2 12,-1.9 1,-0.0 2,-0.1 -0.814 27.4-101.8-104.7 145.3 111.4 -1.4 36.2 20 40 A K E +A 30 0A 109 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.423 51.5 164.7 -59.6 140.5 108.4 0.9 36.5 21 41 A K E -A 29 0A 4 8,-2.1 8,-1.8 -2,-0.1 2,-0.2 -0.974 29.0-128.8-158.1 137.6 106.0 0.4 33.6 22 42 A E E -A 28 0A 70 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.635 15.3-145.4 -92.6 154.7 102.4 1.4 33.0 23 43 A D > - 0 0 22 4,-2.0 3,-2.1 -2,-0.2 405,-0.1 -0.208 47.7 -68.7 -99.8-165.3 99.5 -0.9 31.9 24 44 A R T 3 S+ 0 0 142 1,-0.3 405,-0.0 2,-0.2 -2,-0.0 0.727 132.8 48.4 -67.6 -25.8 96.5 -0.0 29.6 25 45 A T T 3 S- 0 0 104 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.305 119.1-106.7 -91.4 5.2 94.9 2.3 32.0 26 46 A G S < S+ 0 0 42 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.717 74.1 144.4 70.9 20.7 98.1 4.2 32.7 27 47 A T - 0 0 62 1,-0.1 -4,-2.0 206,-0.0 -1,-0.3 -0.757 49.3-109.5 -95.5 143.4 98.4 2.5 36.1 28 48 A G E +A 22 0A 11 -2,-0.3 205,-1.8 -6,-0.2 206,-0.3 -0.365 37.4 167.8 -84.0 148.2 101.9 1.7 37.4 29 49 A T E -AB 21 232A 0 -8,-1.8 -8,-2.1 203,-0.2 2,-0.4 -0.907 35.0-124.2-134.5 166.1 103.7 -1.7 37.9 30 50 A L E -AB 20 231A 30 201,-2.2 201,-2.4 -2,-0.3 2,-0.3 -0.967 45.2-172.8-105.6 137.1 107.1 -2.9 38.5 31 51 A S E -AB 19 230A 1 -12,-1.9 -12,-2.2 -2,-0.4 2,-0.4 -0.949 27.8-172.0-139.1 146.3 107.9 -5.4 35.7 32 52 A V E - B 0 229A 17 197,-2.2 197,-2.5 -2,-0.3 2,-0.6 -0.994 23.0-136.5-134.6 141.0 110.5 -7.9 34.5 33 53 A F E S+ B 0 228A 8 -2,-0.4 195,-0.2 195,-0.2 194,-0.1 -0.850 72.3 18.2-101.8 118.9 110.4 -9.5 31.1 34 54 A G E + 0 0 3 193,-2.5 2,-0.3 -2,-0.6 193,-0.2 0.779 63.8 158.7 94.2 100.0 111.0 -13.2 31.0 35 55 A M E - B 0 226A 16 191,-1.5 191,-2.3 -3,-0.1 2,-0.3 -0.954 15.9-164.1-141.9 166.1 110.8 -15.6 33.9 36 56 A Q E + B 0 225A 49 -2,-0.3 2,-0.3 189,-0.2 189,-0.2 -0.965 6.7 177.8-154.0 134.4 110.4 -19.4 34.4 37 57 A A E - B 0 224A 2 187,-2.0 187,-2.8 -2,-0.3 2,-0.5 -0.939 18.6-142.8-129.7 160.1 109.5 -21.6 37.3 38 58 A R E - B 0 223A 77 -2,-0.3 2,-0.6 185,-0.2 185,-0.2 -0.973 12.5-168.6-125.4 117.1 109.0 -25.4 37.6 39 59 A Y E - B 0 222A 0 183,-3.2 183,-3.3 -2,-0.5 2,-0.2 -0.925 20.4-133.6-109.3 117.5 106.3 -26.8 39.9 40 60 A S E - B 0 221A 37 -2,-0.6 181,-0.2 181,-0.2 180,-0.1 -0.502 16.0-170.0 -64.5 139.9 106.4 -30.5 40.6 41 61 A L + 0 0 0 179,-2.9 2,-0.7 -2,-0.2 3,-0.4 0.222 45.8 123.7-108.5 6.2 103.0 -32.3 40.3 42 62 A R S S- 0 0 87 178,-0.4 178,-0.1 1,-0.3 -2,-0.1 -0.600 95.6 -26.3 -84.2 105.4 104.3 -35.6 41.7 43 63 A D S S+ 0 0 125 -2,-0.7 2,-0.3 176,-0.2 -1,-0.3 0.696 130.7 64.8 58.8 21.5 102.1 -36.5 44.7 44 64 A E S S- 0 0 60 -3,-0.4 208,-0.2 208,-0.1 -1,-0.1 -0.973 70.8-132.7-159.0 172.6 101.2 -32.9 45.4 45 65 A F - 0 0 0 206,-2.8 2,-2.4 -2,-0.3 -4,-0.1 -0.986 21.2-129.4-134.7 122.5 99.4 -30.0 43.8 46 66 A P + 0 0 0 0, 0.0 2,-0.7 0, 0.0 159,-0.1 -0.318 47.8 148.3 -82.2 78.1 100.8 -26.5 43.7 47 67 A L - 0 0 0 -2,-2.4 -2,-0.1 204,-0.1 152,-0.1 -0.893 55.4-115.5-103.9 115.2 98.0 -24.4 45.1 48 68 A L - 0 0 2 -2,-0.7 5,-0.4 150,-0.2 -1,-0.0 -0.185 28.3-167.1 -66.5 153.1 99.9 -21.6 46.8 49 69 A T S S+ 0 0 0 199,-0.2 229,-3.1 3,-0.1 3,-0.2 0.522 71.2 77.8-118.6 -8.8 99.7 -21.3 50.5 50 70 A T S S+ 0 0 0 1,-0.3 2,-0.3 227,-0.2 -1,-0.1 0.662 115.4 13.3 -80.0 -13.3 101.2 -17.9 51.4 51 71 A K S S- 0 0 106 147,-0.0 -1,-0.3 191,-0.0 229,-0.1 -0.914 99.0 -98.6-153.3 138.0 97.9 -16.3 50.3 52 72 A R - 0 0 161 226,-0.6 2,-0.4 -2,-0.3 -3,-0.1 -0.239 31.9-147.8 -57.2 134.9 94.7 -18.2 49.6 53 73 A V - 0 0 9 -5,-0.4 2,-1.8 145,-0.1 3,-0.2 -0.869 23.9-115.6-103.5 145.0 93.9 -19.1 45.9 54 74 A F > + 0 0 94 -2,-0.4 4,-2.0 1,-0.2 3,-0.2 -0.563 41.4 174.1 -80.9 77.5 90.2 -19.2 44.8 55 75 A W H > S+ 0 0 42 -2,-1.8 4,-2.9 1,-0.2 5,-0.3 0.852 73.5 57.8 -59.8 -36.8 90.3 -22.9 44.0 56 76 A K H > S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.935 109.1 46.8 -63.6 -45.1 86.5 -23.1 43.2 57 77 A G H > S+ 0 0 0 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.888 109.9 53.3 -62.5 -40.1 87.1 -20.4 40.6 58 78 A V H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.962 114.0 41.9 -54.2 -52.7 90.1 -22.3 39.2 59 79 A L H X S+ 0 0 9 -4,-2.9 4,-2.0 2,-0.2 5,-0.2 0.942 116.3 45.6 -65.6 -49.4 88.1 -25.5 38.8 60 80 A E H X S+ 0 0 26 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.912 111.3 54.4 -64.0 -38.8 84.9 -23.9 37.4 61 81 A E H X S+ 0 0 15 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.920 109.0 47.5 -61.0 -43.5 86.8 -21.7 35.0 62 82 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.909 109.7 50.9 -66.2 -39.5 88.6 -24.6 33.5 63 83 A L H X S+ 0 0 26 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.897 109.3 54.1 -62.4 -37.2 85.4 -26.7 33.1 64 84 A W H <>S+ 0 0 5 -4,-2.1 5,-1.5 1,-0.2 4,-0.3 0.882 108.5 47.5 -63.5 -45.6 83.9 -23.7 31.4 65 85 A F H ><5S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.901 109.1 54.8 -56.7 -48.1 86.8 -23.5 28.9 66 86 A I H 3<5S+ 0 0 7 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.877 103.3 54.3 -61.7 -35.8 86.6 -27.2 28.3 67 87 A K T 3<5S- 0 0 103 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.559 113.7-120.0 -73.9 1.4 82.9 -26.9 27.3 68 88 A G T < 5 + 0 0 13 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.592 55.4 161.7 73.1 15.9 83.9 -24.2 24.8 69 89 A S < + 0 0 10 -5,-1.5 41,-0.4 1,-0.1 42,-0.2 -0.359 27.9 179.3 -72.4 143.5 81.8 -21.6 26.4 70 90 A T + 0 0 4 53,-0.3 35,-2.3 40,-0.1 2,-0.7 0.095 51.4 107.3-123.2 18.0 82.3 -17.9 25.7 71 91 A N B >> -F 104 0B 24 33,-0.2 3,-1.1 52,-0.2 4,-0.7 -0.877 54.5-159.2-100.1 115.3 79.5 -16.6 27.9 72 92 A A H >> S+ 0 0 2 31,-2.9 4,-2.7 -2,-0.7 3,-0.6 0.815 92.5 62.3 -60.2 -31.1 80.6 -15.0 31.1 73 93 A K H 3> S+ 0 0 115 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.814 94.3 61.3 -64.1 -31.1 77.2 -15.6 32.5 74 94 A E H <4 S+ 0 0 71 -3,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.797 112.2 37.0 -70.3 -24.4 77.6 -19.3 32.2 75 95 A L H X<>S+ 0 0 1 -4,-0.7 3,-2.0 -3,-0.6 5,-1.3 0.843 112.5 57.8 -87.8 -40.0 80.6 -19.2 34.6 76 96 A S H ><5S+ 0 0 26 -4,-2.7 3,-2.9 1,-0.3 -2,-0.2 0.890 96.5 64.5 -56.4 -32.7 79.1 -16.5 36.8 77 97 A S T 3<5S+ 0 0 89 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.1 0.658 95.8 58.7 -72.3 -9.9 76.1 -18.9 37.4 78 98 A K T < 5S- 0 0 88 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.375 128.4-101.3 -91.8 1.6 78.6 -21.2 39.1 79 99 A G T < 5S+ 0 0 21 -3,-2.9 2,-0.6 1,-0.2 -3,-0.2 0.689 88.9 123.4 82.0 21.6 79.3 -18.4 41.6 80 100 A V < + 0 0 0 -5,-1.3 3,-0.4 -4,-0.1 -2,-0.2 -0.885 30.3 171.8-114.7 105.1 82.6 -17.5 39.8 81 101 A R >> + 0 0 159 -2,-0.6 3,-1.5 1,-0.2 4,-0.5 0.262 39.6 112.2 -98.0 13.3 82.4 -13.9 38.8 82 102 A I T 34 S+ 0 0 76 1,-0.3 4,-0.3 2,-0.1 -1,-0.2 0.736 84.1 41.6 -69.2 -22.5 86.0 -13.2 37.5 83 103 A W T 3> S+ 0 0 21 -3,-0.4 4,-0.7 -11,-0.2 -1,-0.3 0.479 88.7 94.1-100.2 4.2 85.0 -12.7 33.9 84 104 A D T X4 S+ 0 0 47 -3,-1.5 3,-1.0 1,-0.2 4,-0.5 0.894 80.5 54.5 -70.1 -38.9 81.8 -10.7 34.5 85 105 A A G >< S+ 0 0 69 -4,-0.5 3,-1.4 1,-0.2 6,-0.3 0.936 105.8 53.6 -59.9 -41.9 83.4 -7.3 34.2 86 106 A N G 34 S+ 0 0 36 1,-0.3 -1,-0.2 -4,-0.3 -2,-0.2 0.636 113.2 42.7 -68.2 -14.9 84.8 -8.2 30.7 87 107 A G G << S+ 0 0 2 -3,-1.0 16,-3.4 -4,-0.7 17,-0.3 0.266 87.1 125.3-111.6 8.7 81.4 -9.1 29.4 88 108 A S S <> S- 0 0 35 -3,-1.4 4,-2.6 -4,-0.5 5,-0.2 -0.238 72.4-113.7 -67.2 155.8 79.5 -6.2 30.9 89 109 A R H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.878 115.7 45.9 -56.0 -40.5 77.3 -4.0 28.7 90 110 A D H > S+ 0 0 132 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.851 112.4 48.7 -81.2 -34.8 79.5 -0.9 29.3 91 111 A F H 4 S+ 0 0 71 -6,-0.3 4,-0.5 2,-0.2 -2,-0.2 0.970 113.5 47.8 -67.5 -46.0 82.8 -2.8 28.7 92 112 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 3,-1.3 0.891 111.3 50.8 -58.4 -43.9 81.5 -4.4 25.5 93 113 A D H ><5S+ 0 0 65 -4,-2.0 3,-2.3 1,-0.3 5,-0.2 0.914 102.8 59.5 -62.0 -43.2 80.2 -1.0 24.2 94 114 A S T 3<5S+ 0 0 85 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.591 107.5 47.8 -60.4 -11.8 83.6 0.6 24.9 95 115 A L T < 5S- 0 0 72 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.293 123.6-105.7-106.5 3.4 85.1 -1.9 22.4 96 116 A G T < 5S+ 0 0 62 -3,-2.3 2,-0.3 -4,-0.1 3,-0.3 0.698 82.4 129.1 77.3 21.2 82.4 -1.3 19.8 97 117 A F > < + 0 0 32 -5,-2.8 3,-1.4 1,-0.2 -4,-0.2 -0.317 17.8 138.9 -98.0 50.3 80.5 -4.5 20.5 98 118 A S T 3 + 0 0 92 -2,-0.3 -1,-0.2 1,-0.3 -5,-0.1 0.745 66.3 60.1 -66.4 -22.1 77.0 -2.9 20.9 99 119 A A T 3 S+ 0 0 103 -3,-0.3 -1,-0.3 -6,-0.1 2,-0.2 0.628 88.9 101.7 -79.1 -11.5 75.3 -5.6 18.9 100 120 A R S < S- 0 0 32 -3,-1.4 3,-0.1 1,-0.1 2,-0.1 -0.530 75.5-121.3 -79.7 140.4 76.5 -8.2 21.4 101 121 A Q > - 0 0 137 -2,-0.2 3,-1.7 1,-0.1 2,-0.2 -0.308 47.1 -87.7 -65.8 156.0 74.4 -9.7 24.2 102 122 A E T 3 S+ 0 0 82 1,-0.3 -14,-0.2 -2,-0.1 -29,-0.2 -0.463 115.8 30.5 -77.3 142.5 75.8 -9.1 27.7 103 123 A G T 3 S+ 0 0 3 -16,-3.4 -31,-2.9 1,-0.2 2,-1.0 0.214 81.0 132.9 97.3 -16.7 78.2 -11.7 28.8 104 124 A D B < +F 71 0B 2 -3,-1.7 -1,-0.2 -17,-0.3 -33,-0.2 -0.583 29.0 178.4 -80.2 100.7 79.4 -12.4 25.2 105 125 A L - 0 0 0 -35,-2.3 60,-2.7 -2,-1.0 61,-0.3 0.597 36.8-128.3 -77.9 -11.4 83.3 -12.4 25.5 106 126 A G - 0 0 0 -36,-0.4 2,-2.3 58,-0.2 -1,-0.3 -0.437 61.8 -22.0 84.0-171.1 83.8 -13.2 21.8 107 127 A P S S+ 0 0 0 0, 0.0 57,-0.2 0, 0.0 -1,-0.1 -0.384 89.8 147.0 -78.9 67.9 86.1 -16.0 20.6 108 128 A V >> - 0 0 5 -2,-2.3 4,-2.1 55,-0.1 3,-0.6 0.154 61.6 -45.0 -85.2-157.4 88.3 -16.4 23.8 109 129 A Y H 3> S+ 0 0 11 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.824 130.6 45.9 -52.8 -57.4 89.8 -19.5 25.3 110 130 A G H 3> S+ 0 0 0 -41,-0.4 4,-1.7 1,-0.2 -1,-0.3 0.902 115.3 49.1 -50.7 -45.1 87.2 -22.1 25.3 111 131 A F H <> S+ 0 0 0 -3,-0.6 4,-2.7 -42,-0.2 -1,-0.2 0.914 114.3 44.3 -62.4 -46.2 86.3 -21.3 21.7 112 132 A Q H X S+ 0 0 0 -4,-2.1 4,-0.8 1,-0.2 22,-0.4 0.885 112.1 52.9 -68.1 -37.4 89.9 -21.4 20.5 113 133 A W H < S+ 0 0 3 -4,-2.7 22,-2.0 -5,-0.3 21,-1.0 0.850 125.1 24.0 -62.4 -39.7 90.7 -24.6 22.4 114 134 A R H < S+ 0 0 16 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.683 138.1 22.8-101.6 -19.3 87.7 -26.5 20.8 115 135 A H H >< S+ 0 0 33 -4,-2.7 3,-2.2 -5,-0.2 18,-0.2 -0.155 72.7 174.8-142.3 33.6 87.0 -24.6 17.5 116 136 A F B 3< S+G 132 0C 2 16,-2.0 16,-2.4 -4,-0.8 -4,-0.1 -0.216 73.7 15.5 -53.5 136.6 90.2 -22.8 16.5 117 137 A G T 3 S+ 0 0 13 1,-0.3 -1,-0.3 14,-0.2 14,-0.2 0.290 92.6 128.2 87.3 -11.2 89.8 -21.2 13.1 118 138 A A S < S- 0 0 8 -3,-2.2 2,-0.6 12,-0.2 -1,-0.3 -0.276 71.0 -97.4 -71.6 163.0 85.9 -21.5 12.9 119 139 A E - 0 0 110 -3,-0.1 2,-0.3 -2,-0.0 -1,-0.1 -0.743 37.5-138.8 -93.4 120.9 84.0 -18.4 12.2 120 140 A Y + 0 0 22 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