==== 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 13-SEP-97 1JMI . 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) . 15666.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 71.8 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 . 42 13.3 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 . 2 0.6 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 . 32 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 0 2 2 0 1 0 1 2 0 0 0 0 0 2 0 0 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 1 2 0 0 0 1 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 0 131 0, 0.0 3,-2.1 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0 168.8 4.7 27.6 -44.0 2 2 A L T 3 + 0 0 32 1,-0.3 37,-0.1 275,-0.2 41,-0.1 0.850 360.0 47.9 -50.5 -42.2 3.4 31.2 -44.2 3 3 A E T >> S+ 0 0 3 1,-0.2 4,-1.3 2,-0.1 3,-0.7 0.218 77.1 106.7 -92.3 22.3 6.5 32.5 -45.8 4 4 A Q H <> + 0 0 57 -3,-2.1 4,-2.7 1,-0.2 5,-0.3 0.846 69.8 64.1 -68.3 -34.3 6.9 29.8 -48.5 5 5 A P H 3> S+ 0 0 33 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.856 102.0 53.6 -59.4 -29.5 5.8 32.1 -51.4 6 6 A Y H <> S+ 0 0 0 -3,-0.7 4,-2.0 2,-0.2 3,-0.4 0.988 109.4 44.2 -64.6 -60.0 8.9 34.1 -50.6 7 7 A L H X S+ 0 0 7 -4,-1.3 4,-2.3 1,-0.3 5,-0.2 0.882 114.3 51.6 -50.9 -44.4 11.4 31.3 -50.8 8 8 A D H X S+ 0 0 68 -4,-2.7 4,-2.3 2,-0.2 -1,-0.3 0.861 104.2 56.6 -63.0 -38.4 9.6 30.0 -54.0 9 9 A L H X S+ 0 0 0 -4,-1.9 4,-1.3 -3,-0.4 -1,-0.2 0.965 110.7 45.5 -55.2 -52.6 9.9 33.5 -55.6 10 10 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 3,-0.3 0.880 110.7 51.4 -56.7 -49.1 13.7 33.3 -55.0 11 11 A K H X S+ 0 0 82 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.872 107.0 55.8 -61.0 -34.5 14.0 29.8 -56.3 12 12 A K H X>S+ 0 0 68 -4,-2.3 4,-2.3 1,-0.2 5,-0.6 0.827 111.1 41.5 -70.5 -32.4 12.1 30.8 -59.5 13 13 A V H <5S+ 0 0 0 -4,-1.3 4,-0.3 -3,-0.3 -1,-0.2 0.777 113.5 55.2 -84.3 -23.7 14.5 33.6 -60.3 14 14 A L H <5S+ 0 0 40 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.912 125.2 22.5 -69.8 -44.3 17.5 31.4 -59.4 15 15 A D H <5S+ 0 0 141 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.862 139.1 26.2 -90.7 -43.2 16.3 28.7 -61.8 16 16 A E T <5S+ 0 0 127 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.1 0.668 92.9 110.5 -98.2 -18.8 14.2 30.5 -64.3 17 17 A G < - 0 0 12 -5,-0.6 2,-0.3 -4,-0.3 14,-0.2 -0.138 57.5-137.8 -59.9 150.9 15.6 34.1 -64.2 18 18 A H E -A 30 0A 153 12,-1.8 12,-2.8 1,-0.0 2,-0.4 -0.801 24.2-103.4-109.9 150.6 17.6 35.5 -67.0 19 19 A F E +A 29 0A 113 -2,-0.3 10,-0.2 10,-0.2 8,-0.0 -0.634 48.5 166.7 -74.2 130.5 20.7 37.6 -66.8 20 20 A K E -A 28 0A 102 8,-2.8 8,-1.6 -2,-0.4 2,-0.2 -0.992 30.6-128.1-146.4 133.9 20.0 41.3 -67.3 21 21 A P E -A 27 0A 92 0, 0.0 2,-0.2 0, 0.0 6,-0.2 -0.565 32.7-163.1 -81.3 153.8 22.2 44.3 -66.6 22 22 A D - 0 0 29 4,-1.0 6,-0.0 2,-0.4 0, 0.0 -0.642 33.2 -87.5-132.5-174.5 20.9 47.2 -64.6 23 23 A R S S+ 0 0 160 -2,-0.2 -1,-0.1 2,-0.1 2,-0.0 0.993 114.6 52.5 -51.6 -78.1 21.1 50.8 -63.4 24 24 A T S S- 0 0 13 1,-0.1 2,-0.9 -3,-0.1 -2,-0.4 -0.407 108.4-111.7 -58.3 139.1 23.5 50.2 -60.5 25 25 A H S S+ 0 0 156 291,-1.2 2,-0.2 -4,-0.1 -1,-0.1 0.021 83.0 98.1 -82.0 39.9 26.3 48.3 -62.2 26 26 A T S S- 0 0 38 -2,-0.9 -4,-1.0 290,-0.1 2,-0.2 -0.406 75.7-106.6-101.7 178.4 26.0 44.8 -60.8 27 27 A G E -A 21 0A 10 -6,-0.2 235,-2.3 -2,-0.2 2,-0.3 -0.688 31.3-157.6-104.4 167.3 24.3 42.1 -62.8 28 28 A T E -AB 20 261A 1 -8,-1.6 -8,-2.8 233,-0.3 2,-0.7 -0.994 22.4-139.7-145.5 148.8 20.9 40.5 -62.0 29 29 A Y E +AB 19 260A 75 231,-2.4 231,-2.7 -2,-0.3 2,-0.3 -0.967 46.8 179.9-102.3 115.7 18.9 37.4 -62.7 30 30 A S E -AB 18 259A 12 -12,-2.8 -12,-1.8 -2,-0.7 2,-0.3 -0.960 26.8-173.1-130.2 145.4 15.5 38.9 -63.3 31 31 A I E - B 0 258A 20 227,-2.3 227,-1.1 -2,-0.3 2,-0.4 -0.749 21.7-132.9-120.0 172.9 12.0 37.9 -64.2 32 32 A F E + B 0 257A 162 1,-0.3 225,-0.2 -2,-0.3 224,-0.1 -0.969 69.0 15.5-136.8 121.8 9.1 40.2 -65.0 33 33 A G E + 0 0 37 223,-2.7 -1,-0.3 -2,-0.4 2,-0.3 0.633 64.7 154.9 86.7 115.7 5.6 39.8 -63.5 34 34 A H E - B 0 255A 42 221,-0.8 221,-2.2 -3,-0.1 2,-0.4 -0.880 20.2-161.7-170.1 140.9 4.9 37.7 -60.4 35 35 A Q E + B 0 254A 100 -2,-0.3 2,-0.3 219,-0.2 219,-0.2 -0.965 9.4 174.4-133.9 142.0 2.3 37.6 -57.7 36 36 A M E - B 0 253A 10 217,-2.0 217,-3.1 -2,-0.4 2,-0.4 -0.990 13.8-151.6-144.8 145.4 2.3 36.0 -54.3 37 37 A R E - B 0 252A 125 -2,-0.3 2,-0.5 215,-0.2 215,-0.2 -0.970 5.3-161.0-127.5 141.4 -0.2 36.2 -51.4 38 38 A F E - B 0 251A 2 213,-2.7 213,-2.4 -2,-0.4 2,-1.0 -0.973 17.2-141.3-119.3 118.8 0.1 35.9 -47.7 39 39 A D E > - B 0 250A 59 -2,-0.5 3,-1.9 211,-0.2 4,-0.3 -0.743 14.1-156.1 -80.8 106.9 -3.1 35.1 -45.6 40 40 A L T 3 S+ 0 0 5 209,-1.9 -1,-0.1 -2,-1.0 210,-0.1 0.333 83.9 70.4 -68.5 3.3 -2.5 37.4 -42.6 41 41 A S T 3 S+ 0 0 72 208,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.551 91.4 60.3 -93.5 -13.0 -4.7 35.3 -40.3 42 42 A K S < S- 0 0 159 -3,-1.9 2,-0.2 1,-0.4 237,-0.2 0.623 125.6 -67.3 -87.8 -11.7 -2.2 32.5 -40.4 43 43 A G - 0 0 14 -4,-0.3 -1,-0.4 -41,-0.1 238,-0.2 -0.821 62.6 -59.9 145.6 173.4 0.5 34.7 -38.8 44 44 A F - 0 0 2 236,-2.7 2,-2.0 -2,-0.2 -41,-0.1 -0.773 46.2-127.5 -91.4 129.6 2.6 37.7 -39.6 45 45 A P + 0 0 1 0, 0.0 2,-0.8 0, 0.0 186,-0.2 -0.276 55.9 139.7 -73.1 52.5 5.0 37.3 -42.6 46 46 A L - 0 0 1 -2,-2.0 -43,-0.1 234,-0.1 -2,-0.1 -0.890 63.9-107.0 -96.4 112.6 8.3 38.3 -41.0 47 47 A L - 0 0 2 -2,-0.8 5,-0.4 180,-0.2 3,-0.1 -0.043 32.4-172.5 -40.5 134.7 10.8 35.8 -42.5 48 48 A T S S+ 0 0 1 229,-0.1 259,-3.0 258,-0.1 -1,-0.1 0.694 78.6 72.6-100.3 -28.0 12.0 33.1 -40.2 49 49 A T S S+ 0 0 0 257,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.350 114.0 19.8 -70.8 10.0 14.6 31.7 -42.5 50 50 A K S S- 0 0 15 -3,-0.1 2,-0.5 257,-0.1 259,-0.2 -0.850 91.6-103.1-177.1 136.1 16.6 34.9 -41.8 51 51 A K - 0 0 128 257,-0.5 259,-0.1 256,-0.4 -3,-0.1 -0.609 38.2-172.2 -74.5 120.0 16.6 37.4 -39.1 52 52 A V - 0 0 5 -2,-0.5 2,-0.7 -5,-0.4 3,-0.1 -0.970 27.9-117.8-122.3 121.3 14.9 40.7 -40.1 53 53 A P > - 0 0 64 0, 0.0 4,-1.0 0, 0.0 3,-0.3 -0.351 27.5-178.2 -55.0 95.0 14.8 43.9 -38.0 54 54 A F H > S+ 0 0 17 -2,-0.7 4,-3.7 1,-0.2 3,-0.3 0.849 80.1 63.9 -66.8 -33.1 11.2 44.5 -37.3 55 55 A G H > S+ 0 0 36 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.891 101.4 48.9 -57.6 -40.6 12.2 47.7 -35.4 56 56 A L H > S+ 0 0 45 -3,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.799 115.2 45.7 -68.1 -30.7 13.5 49.2 -38.6 57 57 A I H X S+ 0 0 1 -4,-1.0 4,-2.5 -3,-0.3 -2,-0.2 0.950 114.6 46.7 -75.5 -51.9 10.3 48.3 -40.4 58 58 A K H X S+ 0 0 25 -4,-3.7 4,-2.6 1,-0.2 5,-0.2 0.949 114.8 45.1 -56.3 -56.4 8.1 49.5 -37.6 59 59 A S H X S+ 0 0 1 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.820 113.5 51.5 -62.2 -30.8 9.9 52.9 -37.1 60 60 A E H X S+ 0 0 25 -4,-1.0 4,-2.0 -5,-0.3 -1,-0.2 0.886 111.0 47.9 -73.2 -36.4 9.9 53.4 -40.9 61 61 A L H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.944 110.7 49.7 -68.7 -45.5 6.2 52.7 -41.2 62 62 A L H X S+ 0 0 0 -4,-2.6 4,-0.8 1,-0.2 6,-0.2 0.864 109.5 52.6 -60.2 -38.0 5.3 55.1 -38.3 63 63 A W H ><>S+ 0 0 0 -4,-1.5 5,-1.5 -5,-0.2 3,-0.9 0.947 110.4 48.5 -62.6 -46.0 7.4 57.8 -40.0 64 64 A F H ><5S+ 0 0 4 -4,-2.0 3,-2.9 1,-0.3 -2,-0.2 0.969 107.8 53.8 -56.8 -57.0 5.5 57.2 -43.2 65 65 A L H 3<5S+ 0 0 0 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.628 103.1 58.7 -53.6 -20.3 2.1 57.4 -41.4 66 66 A H T <<5S- 0 0 60 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.482 108.0-122.9 -90.8 -0.3 3.1 60.7 -39.9 67 67 A G T < 5 + 0 0 22 -3,-2.9 -3,-0.2 -4,-0.3 2,-0.2 0.683 61.7 156.7 65.8 15.2 3.6 62.3 -43.4 68 68 A D < + 0 0 47 -5,-1.5 79,-0.3 -6,-0.2 -1,-0.3 -0.472 25.8 174.0 -73.8 139.3 7.0 62.9 -41.9 69 69 A T + 0 0 23 -2,-0.2 73,-3.0 78,-0.1 2,-0.6 0.208 44.8 107.2-130.4 11.4 9.8 63.4 -44.4 70 70 A N B >> -F 141 0B 30 71,-0.3 3,-1.6 72,-0.1 4,-0.6 -0.850 62.9-145.2-103.1 123.2 12.6 64.3 -42.1 71 71 A I H 3> S+ 0 0 0 69,-3.3 4,-2.4 -2,-0.6 3,-0.4 0.711 89.8 81.9 -52.5 -22.0 15.4 61.9 -41.4 72 72 A R H 3> S+ 0 0 51 68,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.877 86.2 54.6 -56.3 -41.4 15.5 63.2 -37.8 73 73 A F H <> S+ 0 0 25 -3,-1.6 4,-0.7 2,-0.2 -1,-0.2 0.909 110.9 46.8 -59.0 -42.0 12.6 61.0 -36.7 74 74 A L H ><>S+ 0 0 0 -4,-0.6 5,-2.2 -3,-0.4 3,-2.1 0.973 109.8 50.3 -64.8 -55.1 14.4 58.0 -38.0 75 75 A L H ><5S+ 0 0 10 -4,-2.4 3,-2.0 1,-0.3 -1,-0.2 0.860 102.9 63.3 -53.1 -35.4 17.8 58.8 -36.4 76 76 A Q H 3<5S+ 0 0 113 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.813 109.2 40.1 -58.5 -32.0 15.9 59.3 -33.1 77 77 A H T <<5S- 0 0 61 -3,-2.1 -1,-0.3 -4,-0.7 -2,-0.2 0.147 121.5-106.6-103.3 17.0 14.9 55.6 -33.3 78 78 A R T < 5S+ 0 0 206 -3,-2.0 2,-0.7 1,-0.2 -3,-0.2 0.736 72.3 143.6 66.1 26.9 18.3 54.5 -34.5 79 79 A N < + 0 0 0 -5,-2.2 3,-0.2 -6,-0.1 -1,-0.2 -0.870 19.0 169.6-100.8 115.7 17.0 53.8 -38.0 80 80 A H > + 0 0 101 -2,-0.7 3,-1.1 1,-0.1 4,-0.4 0.217 40.3 115.5-109.3 16.5 19.7 54.7 -40.6 81 81 A I T 3 S+ 0 0 63 1,-0.2 -1,-0.1 2,-0.1 3,-0.0 0.705 84.4 36.0 -56.7 -24.2 17.9 53.2 -43.6 82 82 A W T >> S+ 0 0 32 -3,-0.2 3,-1.4 -11,-0.1 4,-0.8 0.423 83.9 103.4-114.5 0.3 17.5 56.6 -45.3 83 83 A D H X> S+ 0 0 6 -3,-1.1 4,-2.2 1,-0.2 3,-1.3 0.911 71.1 62.8 -49.5 -57.8 20.7 58.5 -44.4 84 84 A E H 3> S+ 0 0 79 -4,-0.4 4,-1.8 1,-0.3 -1,-0.2 0.626 98.1 58.9 -47.7 -20.4 22.6 58.2 -47.7 85 85 A W H <> S+ 0 0 56 -3,-1.4 4,-1.2 2,-0.2 -1,-0.3 0.921 111.3 39.3 -76.9 -42.5 19.8 60.2 -49.5 86 86 A A H < S+ 0 0 31 -4,-1.8 3,-1.8 1,-0.2 6,-0.5 0.966 107.0 49.4 -58.7 -52.0 24.8 67.4 -48.1 91 91 A V H 3< S+ 0 0 29 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.865 107.4 54.8 -55.9 -40.7 27.9 66.6 -50.1 92 92 A K T 3< S+ 0 0 129 -4,-1.3 2,-0.3 -5,-0.3 -1,-0.3 0.167 93.9 100.6 -83.3 21.4 26.5 68.5 -53.1 93 93 A S S X S- 0 0 25 -3,-1.8 3,-1.2 1,-0.1 -3,-0.0 -0.836 78.5-123.6-114.3 151.4 26.0 71.7 -51.1 94 94 A D T 3 S+ 0 0 144 -2,-0.3 -1,-0.1 1,-0.3 -4,-0.0 0.803 109.9 56.9 -51.5 -37.3 27.9 75.0 -50.8 95 95 A E T 3 S+ 0 0 97 -5,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.774 78.6 102.1 -71.5 -26.5 28.1 74.5 -47.0 96 96 A Y < + 0 0 26 -3,-1.2 2,-0.4 -6,-0.5 4,-0.0 -0.438 41.3 170.4 -65.6 115.0 29.8 71.1 -47.1 97 97 A H + 0 0 156 -2,-0.4 -1,-0.1 2,-0.0 -3,-0.0 -0.710 39.9 89.6-125.1 75.8 33.5 71.7 -46.3 98 98 A G S S- 0 0 33 -2,-0.4 2,-0.4 -7,-0.1 3,-0.1 -0.906 83.7 -33.0-155.1-176.5 34.9 68.3 -45.9 99 99 A P S S- 0 0 64 0, 0.0 22,-0.0 0, 0.0 -2,-0.0 -0.277 75.5-108.2 -50.3 102.5 36.6 65.1 -47.3 100 100 A D - 0 0 99 -2,-0.4 2,-1.2 1,-0.1 -9,-0.0 -0.095 31.0-162.3 -41.3 107.1 35.1 65.0 -50.8 101 101 A M > + 0 0 1 -3,-0.1 3,-0.9 17,-0.0 2,-0.2 -0.460 21.1 170.0 -93.3 60.7 32.7 62.0 -50.8 102 102 A T T 3 S- 0 0 67 -2,-1.2 5,-0.2 1,-0.3 -14,-0.0 -0.553 73.0 -15.5 -75.4 137.5 32.3 61.6 -54.5 103 103 A D T >> S+ 0 0 90 -2,-0.2 4,-2.2 1,-0.2 3,-0.9 0.724 82.0 167.7 39.3 33.6 30.5 58.4 -55.6 104 104 A F T <4 + 0 0 24 -3,-0.9 5,-0.2 1,-0.2 -1,-0.2 0.775 63.2 70.7 -43.6 -33.7 31.1 57.2 -52.0 105 105 A G T >> S+ 0 0 18 2,-0.2 4,-1.2 1,-0.2 3,-0.9 0.950 109.7 28.4 -51.1 -59.7 28.6 54.4 -52.7 106 106 A H H <> S+ 0 0 70 -3,-0.9 4,-1.8 1,-0.2 3,-0.4 0.954 116.9 63.3 -67.0 -45.3 30.9 52.5 -55.0 107 107 A R H 3< S+ 0 0 90 -4,-2.2 7,-0.5 1,-0.2 8,-0.3 0.222 105.3 44.8 -68.0 15.8 34.0 53.9 -53.3 108 108 A S H <4 S+ 0 0 28 -3,-0.9 -1,-0.2 -2,-0.2 -2,-0.2 0.604 110.2 48.6-122.9 -41.8 33.1 52.1 -50.0 109 109 A Q H < S+ 0 0 117 -4,-1.2 -2,-0.2 -3,-0.4 -3,-0.1 0.732 107.4 81.1 -69.7 -23.3 32.1 48.7 -51.1 110 110 A K S < S- 0 0 123 -4,-1.8 5,-0.2 -5,-0.2 4,-0.2 -0.216 102.9 -92.8 -76.8 171.8 35.3 48.9 -53.1 111 111 A D S S+ 0 0 141 2,-0.1 -4,-0.1 3,-0.1 -1,-0.1 0.779 91.5 95.9 -58.1 -38.2 38.8 48.3 -51.7 112 112 A P S > S- 0 0 57 0, 0.0 2,-1.7 0, 0.0 3,-0.7 -0.263 80.9-123.6 -58.5 144.8 39.9 51.9 -50.6 113 113 A E T 3> S+ 0 0 164 1,-0.2 4,-0.6 2,-0.1 3,-0.3 -0.365 72.3 127.4 -87.0 57.9 39.3 52.6 -47.0 114 114 A F H >> + 0 0 31 -2,-1.7 4,-2.7 -7,-0.5 3,-0.6 0.869 63.3 69.7 -74.6 -39.7 37.2 55.6 -48.0 115 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