==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE (METHYLTRANSFERASE) 23-JAN-96 1NJD . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR J.FINER-MOORE,R.M.STROUD . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 12.3 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 37 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 1 1 1 1 1 1 0 1 0 2 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 2 1 0 0 1 0 0 0 1 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 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 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 M > 0 0 126 0, 0.0 3,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.4 4.1 28.2 -44.6 2 2 A L T 3 + 0 0 30 1,-0.2 4,-0.2 2,-0.1 37,-0.1 0.901 360.0 47.4 -69.6 -42.2 3.3 31.9 -45.0 3 3 A E T >> S+ 0 0 8 1,-0.2 4,-1.5 2,-0.1 3,-1.1 0.434 80.1 104.8 -81.0 4.6 6.6 33.1 -46.4 4 4 A Q H <> S+ 0 0 59 -3,-0.6 4,-3.0 1,-0.3 -1,-0.2 0.907 71.5 61.4 -52.3 -43.4 6.7 30.3 -48.9 5 5 A P H 3> S+ 0 0 31 0, 0.0 4,-2.9 0, 0.0 -1,-0.3 0.843 102.2 52.3 -51.3 -38.6 5.8 32.8 -51.8 6 6 A Y H <> S+ 0 0 0 -3,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.963 111.8 44.3 -62.6 -51.9 9.0 34.8 -51.1 7 7 A L H X S+ 0 0 9 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.882 112.3 53.7 -60.8 -37.3 11.2 31.7 -51.3 8 8 A D H X S+ 0 0 77 -4,-3.0 4,-2.7 -5,-0.2 -2,-0.2 0.966 108.2 50.0 -60.2 -48.8 9.2 30.6 -54.4 9 9 A L H X S+ 0 0 1 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.895 109.9 51.9 -54.4 -46.3 10.0 34.0 -55.9 10 10 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.885 111.0 45.0 -60.0 -46.3 13.7 33.6 -55.1 11 11 A K H X S+ 0 0 77 -4,-2.2 4,-1.1 2,-0.2 3,-0.4 0.952 110.5 54.3 -64.3 -50.4 14.0 30.2 -56.7 12 12 A K H >X>S+ 0 0 77 -4,-2.7 4,-2.1 1,-0.3 3,-1.1 0.906 107.8 50.3 -50.5 -45.0 12.1 31.3 -59.8 13 13 A V H 3X5S+ 0 0 1 -4,-2.2 4,-0.5 1,-0.3 -1,-0.3 0.856 107.0 55.2 -64.1 -33.4 14.5 34.2 -60.3 14 14 A L H 3<5S+ 0 0 55 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.691 122.2 28.2 -71.8 -18.0 17.4 31.8 -60.0 15 15 A D H <<5S+ 0 0 117 -4,-1.1 -2,-0.2 -3,-1.1 -3,-0.2 0.825 132.7 25.4-105.7 -69.1 15.9 29.7 -62.8 16 16 A E H <5S+ 0 0 108 -4,-2.1 -3,-0.2 -5,-0.1 -2,-0.1 0.561 94.8 118.5 -76.0 -8.1 13.8 31.8 -65.2 17 17 A G << - 0 0 14 -5,-0.9 2,-0.4 -4,-0.5 14,-0.2 -0.349 52.6-151.9 -63.6 136.4 15.8 34.9 -64.3 18 18 A H E -A 30 0A 141 12,-1.9 12,-2.5 -2,-0.1 2,-0.2 -0.908 24.3-106.5-112.2 138.2 17.7 36.5 -67.2 19 19 A F E +A 29 0A 116 -2,-0.4 10,-0.3 10,-0.2 8,-0.0 -0.446 46.7 172.9 -62.8 124.1 20.8 38.5 -66.7 20 20 A K E -A 28 0A 99 8,-2.4 8,-1.9 -2,-0.2 2,-0.2 -0.977 26.3-128.7-134.9 138.4 20.0 42.2 -67.2 21 21 A P - 0 0 97 0, 0.0 2,-0.3 0, 0.0 6,-0.1 -0.510 28.6-177.5 -82.9 163.6 22.2 45.2 -66.6 22 22 A D - 0 0 51 4,-0.2 3,-0.4 -2,-0.2 6,-0.0 -0.891 42.4 -91.1-148.3 179.3 21.1 48.1 -64.5 23 23 A R S S+ 0 0 189 -2,-0.3 2,-1.4 1,-0.2 -1,-0.0 0.825 108.4 76.1 -66.9 -32.8 22.3 51.6 -63.3 24 24 A T S S- 0 0 11 2,-0.2 2,-0.5 1,-0.1 -1,-0.2 -0.113 102.4-120.4 -77.7 41.4 23.9 50.2 -60.1 25 25 A H S S+ 0 0 119 -2,-1.4 2,-0.4 -3,-0.4 -1,-0.1 0.398 82.2 103.3 38.2 4.2 27.0 48.8 -61.9 26 26 A T S S- 0 0 23 -2,-0.5 -4,-0.2 290,-0.1 -2,-0.2 -0.934 76.5-113.7-116.0 135.6 26.2 45.3 -60.7 27 27 A G - 0 0 14 -2,-0.4 235,-2.6 -6,-0.1 236,-0.3 -0.305 35.0-162.2 -63.0 151.6 24.7 42.6 -62.9 28 28 A T E -AB 20 261A 3 -8,-1.9 -8,-2.4 233,-0.3 2,-0.6 -0.882 21.9-136.3-133.9 161.2 21.2 41.4 -62.0 29 29 A Y E -AB 19 260A 71 231,-1.9 231,-2.4 -2,-0.3 -10,-0.2 -0.982 40.5-172.0-117.5 108.1 19.0 38.5 -62.7 30 30 A S E -AB 18 259A 12 -12,-2.5 -12,-1.9 -2,-0.6 2,-0.3 -0.619 24.6-169.8-108.0 169.2 15.5 39.9 -63.4 31 31 A I E - B 0 258A 23 227,-1.3 227,-1.4 -2,-0.2 2,-0.5 -0.956 17.4-142.2-148.1 143.3 11.9 38.8 -64.0 32 32 A F E S+ B 0 257A 165 -2,-0.3 225,-0.2 1,-0.2 224,-0.1 -0.979 70.1 14.2-117.7 127.4 9.1 41.0 -65.2 33 33 A G E + 0 0 43 223,-1.9 2,-0.3 -2,-0.5 -1,-0.2 0.854 66.7 159.6 79.4 105.0 5.6 40.6 -63.8 34 34 A H E - B 0 255A 32 221,-1.1 221,-3.2 -3,-0.1 2,-0.4 -0.981 17.0-165.4-155.2 142.6 5.0 38.5 -60.7 35 35 A Q E + B 0 254A 98 -2,-0.3 2,-0.3 219,-0.2 219,-0.2 -0.991 11.2 166.8-136.9 137.0 2.3 38.3 -58.1 36 36 A M E - B 0 253A 11 217,-1.6 217,-3.2 -2,-0.4 2,-0.3 -0.973 14.5-156.2-143.4 151.8 2.2 36.8 -54.7 37 37 A R E - B 0 252A 116 -2,-0.3 2,-0.4 215,-0.2 215,-0.2 -0.954 4.8-153.2-132.3 154.4 -0.3 37.1 -51.8 38 38 A F E - B 0 251A 3 213,-2.2 213,-2.2 -2,-0.3 2,-1.0 -0.997 16.9-137.4-129.3 127.9 -0.2 36.6 -48.1 39 39 A D E > - B 0 250A 61 -2,-0.4 3,-1.4 211,-0.2 4,-0.3 -0.800 17.5-162.4 -83.1 109.5 -3.2 35.7 -46.0 40 40 A L G > S+ 0 0 5 209,-2.2 3,-1.1 -2,-1.0 -1,-0.2 0.740 82.5 69.1 -68.8 -21.3 -2.7 38.0 -43.1 41 41 A S G 3 S+ 0 0 71 208,-0.5 -1,-0.3 1,-0.3 3,-0.1 0.366 96.2 56.8 -77.1 4.7 -5.1 36.0 -40.9 42 42 A K G < S- 0 0 149 -3,-1.4 -1,-0.3 1,-0.5 2,-0.2 0.531 125.4 -61.3-107.2 -16.5 -2.5 33.3 -40.9 43 43 A G < - 0 0 10 -3,-1.1 -1,-0.5 -4,-0.3 238,-0.2 -0.863 59.2 -67.3 153.3 172.0 0.3 35.4 -39.5 44 44 A F - 0 0 2 236,-1.9 2,-2.5 -2,-0.2 187,-0.1 -0.859 45.5-129.6 -94.4 122.7 2.5 38.4 -40.1 45 45 A P + 0 0 4 0, 0.0 2,-0.6 0, 0.0 189,-0.1 -0.238 55.4 141.3 -68.5 52.5 4.8 37.8 -43.1 46 46 A L - 0 0 2 -2,-2.5 -43,-0.1 184,-0.1 -2,-0.1 -0.856 62.9-103.2 -94.1 124.5 8.1 38.9 -41.4 47 47 A L - 0 0 3 -2,-0.6 5,-0.5 180,-0.2 3,-0.2 -0.244 34.3-175.9 -53.6 127.0 10.7 36.5 -42.7 48 48 A T S S+ 0 0 1 229,-0.2 259,-1.8 1,-0.2 -1,-0.2 0.640 77.2 73.7 -95.0 -16.2 11.7 33.8 -40.3 49 49 A T S S+ 0 0 0 1,-0.2 2,-0.3 257,-0.2 -1,-0.2 0.516 113.4 15.9 -75.9 -3.8 14.5 32.4 -42.6 50 50 A K S S- 0 0 15 -3,-0.2 2,-0.4 257,-0.1 259,-0.2 -0.889 95.2 -98.2-165.3 135.0 16.6 35.4 -41.8 51 51 A K - 0 0 116 256,-0.5 259,-0.3 -2,-0.3 -3,-0.1 -0.468 39.8-167.0 -60.9 116.6 16.4 37.9 -39.0 52 52 A V - 0 0 2 -5,-0.5 2,-1.0 -2,-0.4 5,-0.1 -0.922 25.2-121.1-112.3 114.5 14.6 41.0 -40.3 53 53 A P >> - 0 0 55 0, 0.0 4,-1.1 0, 0.0 3,-0.6 -0.261 27.3-176.2 -55.3 92.8 14.7 44.2 -38.1 54 54 A F H 3> S+ 0 0 20 -2,-1.0 4,-2.9 1,-0.2 5,-0.2 0.763 77.9 68.6 -61.4 -25.4 11.0 44.9 -37.5 55 55 A G H 3> S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.945 98.2 47.3 -59.9 -49.0 12.0 48.1 -35.6 56 56 A L H <> S+ 0 0 50 -3,-0.6 4,-1.4 2,-0.2 -1,-0.2 0.841 114.2 50.0 -61.1 -34.5 13.3 49.8 -38.8 57 57 A I H X S+ 0 0 1 -4,-1.1 4,-2.6 2,-0.2 3,-0.3 0.988 110.1 47.5 -68.6 -54.8 10.1 48.8 -40.5 58 58 A K H X S+ 0 0 35 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.874 115.3 44.6 -53.3 -49.9 7.7 50.1 -37.8 59 59 A S H X S+ 0 0 2 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.800 113.1 50.4 -68.1 -33.6 9.4 53.5 -37.4 60 60 A E H X S+ 0 0 24 -4,-1.4 4,-1.7 -3,-0.3 -2,-0.2 0.887 110.5 49.6 -73.0 -39.0 9.8 54.1 -41.1 61 61 A L H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.923 110.7 49.8 -65.4 -42.5 6.1 53.3 -41.7 62 62 A L H X S+ 0 0 0 -4,-2.0 4,-1.5 -5,-0.2 6,-0.2 0.880 104.7 58.8 -62.3 -38.8 5.1 55.6 -38.9 63 63 A W H X>S+ 0 0 0 -4,-1.7 5,-1.7 2,-0.2 4,-0.6 0.929 110.7 42.9 -53.0 -47.7 7.3 58.3 -40.5 64 64 A F H ><5S+ 0 0 5 -4,-1.7 3,-2.2 1,-0.2 -2,-0.2 0.961 109.4 56.2 -63.1 -55.8 5.2 58.0 -43.7 65 65 A L H 3<5S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.686 105.9 52.6 -50.4 -27.2 1.9 57.8 -41.7 66 66 A H H 3<5S- 0 0 65 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.643 110.4-121.5 -84.9 -18.1 2.7 61.2 -40.1 67 67 A G T <<5 + 0 0 25 -3,-2.2 2,-0.2 -4,-0.6 -3,-0.2 0.666 59.7 155.3 82.5 19.7 3.4 62.8 -43.5 68 68 A D < + 0 0 48 -5,-1.7 79,-0.4 -6,-0.2 -1,-0.3 -0.554 26.2 175.3 -81.6 139.8 6.9 63.6 -42.2 69 69 A T + 0 0 23 -2,-0.2 73,-2.5 78,-0.1 2,-0.5 0.251 48.8 104.9-125.9 4.4 9.6 64.1 -44.9 70 70 A N B >> -F 141 0B 31 71,-0.3 3,-0.9 72,-0.1 4,-0.6 -0.807 63.8-144.8 -97.7 132.6 12.4 65.1 -42.5 71 71 A I H 3> S+ 0 0 0 69,-3.3 4,-2.3 -2,-0.5 3,-0.5 0.779 87.2 83.0 -62.2 -28.2 15.2 62.7 -41.6 72 72 A R H 3> S+ 0 0 47 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.845 87.7 52.4 -46.7 -47.0 15.3 64.0 -38.0 73 73 A F H <4 S+ 0 0 26 -3,-0.9 -1,-0.3 1,-0.2 3,-0.2 0.935 110.8 48.2 -55.2 -50.3 12.5 61.8 -36.8 74 74 A L H ><>S+ 0 0 0 -4,-0.6 5,-1.9 -3,-0.5 3,-1.8 0.915 109.3 52.4 -57.1 -47.8 14.2 58.7 -38.2 75 75 A L H ><5S+ 0 0 9 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.837 100.6 60.8 -61.9 -34.1 17.5 59.5 -36.7 76 76 A Q T 3<5S+ 0 0 118 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.400 107.7 46.5 -77.0 7.3 16.0 59.9 -33.2 77 77 A H T < 5S- 0 0 52 -3,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.128 120.8-106.0-126.2 11.5 14.9 56.3 -33.4 78 78 A R T < 5S+ 0 0 211 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.902 74.7 141.0 62.9 41.9 18.2 54.9 -34.7 79 79 A N < + 0 0 0 -5,-1.9 -1,-0.2 1,-0.1 3,-0.2 -0.963 19.3 167.0-117.9 109.8 16.8 54.4 -38.2 80 80 A H > + 0 0 98 -2,-0.6 3,-2.1 1,-0.1 4,-0.4 0.270 39.3 116.1-106.3 9.8 19.4 55.4 -40.9 81 81 A I T 3 S+ 0 0 71 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.868 84.7 37.9 -45.6 -43.3 17.6 53.8 -43.8 82 82 A W T 3> S+ 0 0 36 -3,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.327 86.2 100.6 -97.1 10.8 17.2 57.3 -45.4 83 83 A D H X> S+ 0 0 5 -3,-2.1 4,-2.6 1,-0.2 3,-0.7 0.939 71.0 64.1 -59.2 -53.5 20.5 58.9 -44.5 84 84 A E H 3> S+ 0 0 76 -4,-0.4 4,-1.9 -3,-0.3 -1,-0.2 0.826 102.9 47.9 -38.1 -52.7 22.3 58.4 -47.9 85 85 A W H 3> S+ 0 0 47 -3,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.874 114.2 44.3 -63.5 -41.2 19.9 60.7 -49.8 86 86 A A H < S+ 0 0 26 -4,-1.4 3,-1.5 1,-0.2 6,-0.3 0.962 111.5 44.5 -67.4 -55.6 24.7 68.1 -48.0 91 91 A V H 3< S+ 0 0 12 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.755 111.7 53.4 -63.4 -27.6 27.9 67.2 -49.7 92 92 A K T 3< S+ 0 0 128 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.447 93.0 104.4 -86.5 0.7 26.9 68.7 -53.0 93 93 A S S X S- 0 0 19 -3,-1.5 3,-0.7 -5,-0.2 -3,-0.1 -0.457 74.8-134.0 -83.1 154.4 26.1 72.0 -51.2 94 94 A D T 3 S+ 0 0 125 1,-0.2 -1,-0.1 -2,-0.1 -4,-0.1 0.747 108.7 62.5 -75.3 -25.7 28.2 75.1 -51.2 95 95 A E T 3 S+ 0 0 85 -5,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.633 86.4 98.9 -73.7 -12.2 27.8 75.3 -47.5 96 96 A Y < + 0 0 24 -3,-0.7 2,-0.4 -6,-0.3 -5,-0.0 -0.603 48.8 176.9 -80.8 131.8 29.6 72.0 -47.3 97 97 A H + 0 0 160 -2,-0.3 -3,-0.0 2,-0.0 -2,-0.0 -0.915 38.0 74.4-139.6 104.3 33.3 72.1 -46.5 98 98 A G S S- 0 0 41 -2,-0.4 3,-0.1 -7,-0.1 -2,-0.0 -0.963 80.8 -21.3 175.7-177.6 35.2 68.8 -46.2 99 99 A P S S- 0 0 55 0, 0.0 2,-0.9 0, 0.0 -2,-0.0 -0.084 74.9 -93.1 -49.8 139.8 36.7 65.8 -48.1 100 100 A D - 0 0 108 1,-0.1 2,-1.1 -3,-0.0 -9,-0.0 -0.395 41.0-173.0 -60.3 97.1 35.4 65.1 -51.6 101 101 A M > + 0 0 4 -2,-0.9 3,-0.6 -3,-0.1 2,-0.3 -0.367 26.5 152.5 -90.3 53.6 32.6 62.6 -50.9 102 102 A T T 3 - 0 0 50 -2,-1.1 5,-0.1 1,-0.2 3,-0.1 -0.648 67.6 -2.2 -88.6 141.6 32.0 61.9 -54.6 103 103 A D T >> S+ 0 0 89 -2,-0.3 4,-3.0 1,-0.1 3,-0.8 0.718 89.2 172.2 52.8 25.1 30.6 58.5 -55.7 104 104 A F T <4 + 0 0 19 -3,-0.6 2,-1.3 1,-0.2 -1,-0.1 -0.128 58.5 42.3 -57.6 160.9 30.7 57.4 -52.1 105 105 A G T 3> S+ 0 0 16 1,-0.2 4,-1.5 -3,-0.1 -1,-0.2 -0.465 122.7 44.5 93.6 -59.4 29.0 54.0 -51.4 106 106 A H H <> S+ 0 0 56 -2,-1.3 4,-1.4 -3,-0.8 -1,-0.2 0.958 116.1 48.0 -74.9 -50.6 30.7 52.7 -54.5 107 107 A R H < S+ 0 0 62 -4,-3.0 4,-0.2 1,-0.2 -3,-0.2 0.711 107.6 57.2 -60.4 -26.2 33.8 54.5 -53.3 108 108 A S H >4 S+ 0 0 12 -5,-0.2 3,-1.6 2,-0.2 7,-0.3 0.947 101.5 53.2 -73.1 -47.8 33.4 53.0 -49.9 109 109 A Q H 3< S+ 0 0 113 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.876 117.5 39.4 -53.2 -39.5 33.4 49.3 -51.0 110 110 A K T 3< S+ 0 0 126 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.344 116.2 50.6 -95.2 5.4 36.7 50.0 -52.9 111 111 A D <> - 0 0 56 -3,-1.6 4,-2.7 -4,-0.2 -1,-0.2 -0.569 53.0-179.2-150.5 87.2 38.4 52.2 -50.3 112 112 A P H > S+ 0 0 108 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.805 88.5 45.9 -50.2 -44.3 38.7 51.2 -46.6 113 113 A E H > S+ 0 0 161 2,-0.2 4,-1.4 1,-0.2 3,-0.3 0.943 114.8 47.2 -69.2 -45.5 40.6 54.3 -45.4 114 114 A F H > S+ 0 0 32 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.874 105.6 62.2 -60.8 -37.7 38.2 56.6 -47.3 115 115 A 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