==== 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 11-AUG-98 1BP0 . COMPND 2 MOLECULE: PROTEIN (THYMIDYLATE SYNTHASE); . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR R.MORSE,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) . 15745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 70.3 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 . 41 13.0 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 . 28 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 1 2 1 0 1 1 1 1 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 2 1 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 0 144 0, 0.0 3,-1.1 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0 165.8 4.4 28.4 -44.9 2 2 A L T 3 + 0 0 34 1,-0.3 37,-0.1 40,-0.1 45,-0.1 0.855 360.0 45.0 -57.4 -43.1 3.4 32.1 -45.0 3 3 A E T >> S+ 0 0 6 1,-0.2 3,-1.9 2,-0.1 4,-1.1 0.536 80.2 105.9 -83.5 -2.0 6.7 33.4 -46.5 4 4 A Q H <> + 0 0 59 -3,-1.1 4,-3.1 1,-0.3 5,-0.2 0.798 69.4 64.4 -47.3 -40.0 6.9 30.7 -49.2 5 5 A P H 3> S+ 0 0 33 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.883 102.1 51.3 -54.3 -35.7 5.9 33.1 -52.0 6 6 A Y H <> S+ 0 0 0 -3,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.951 111.3 45.2 -66.6 -47.8 9.1 35.1 -51.3 7 7 A L H X S+ 0 0 5 -4,-1.1 4,-2.4 1,-0.2 5,-0.2 0.898 111.8 53.6 -62.8 -39.1 11.3 32.0 -51.5 8 8 A D H X S+ 0 0 78 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.904 106.9 51.5 -62.5 -39.8 9.5 30.9 -54.6 9 9 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.927 109.9 50.0 -61.1 -47.2 10.2 34.3 -56.3 10 10 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.914 111.0 47.7 -57.0 -49.7 13.9 34.0 -55.5 11 11 A K H X S+ 0 0 81 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.926 110.5 53.2 -58.7 -46.2 14.1 30.5 -56.9 12 12 A K H X S+ 0 0 71 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.872 107.8 49.9 -59.4 -39.1 12.3 31.7 -60.0 13 13 A V H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.880 113.1 46.8 -69.3 -34.1 14.7 34.5 -60.6 14 14 A L H < S+ 0 0 50 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.848 118.1 43.4 -73.3 -33.1 17.7 32.2 -60.2 15 15 A D H < S+ 0 0 130 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.902 136.1 6.0 -79.2 -46.3 16.0 29.6 -62.6 16 16 A E H < S+ 0 0 116 -4,-2.9 2,-0.6 -5,-0.2 -3,-0.2 0.239 87.0 127.2-126.6 13.4 14.7 31.8 -65.4 17 17 A G < - 0 0 10 -4,-1.3 14,-0.2 -5,-0.3 2,-0.2 -0.627 51.4-143.2 -76.6 116.4 16.0 35.3 -64.6 18 18 A H E -A 30 0A 117 12,-1.3 12,-2.5 -2,-0.6 2,-0.2 -0.534 26.9 -98.9 -78.6 147.1 17.7 36.6 -67.7 19 19 A F E +A 29 0A 113 10,-0.2 10,-0.2 -2,-0.2 -1,-0.1 -0.477 45.6 176.6 -66.1 133.5 20.8 38.7 -67.2 20 20 A K E -A 28 0A 99 8,-2.2 8,-1.6 -2,-0.2 2,-0.1 -0.953 24.0-132.8-144.5 113.7 20.0 42.4 -67.6 21 21 A P - 0 0 97 0, 0.0 2,-0.3 0, 0.0 5,-0.0 -0.379 23.9-159.7 -65.6 148.9 22.7 45.1 -67.0 22 22 A D > - 0 0 36 -2,-0.1 3,-1.7 1,-0.1 4,-0.0 -0.887 31.6-101.7-129.9 164.4 21.8 48.0 -64.7 23 23 A I T 3 S+ 0 0 169 -2,-0.3 -1,-0.1 1,-0.3 293,-0.0 0.806 111.0 70.8 -53.0 -37.7 23.2 51.6 -64.2 24 24 A T T 3 S- 0 0 35 1,-0.2 -1,-0.3 291,-0.0 292,-0.3 0.405 103.8-125.9 -64.5 3.1 25.1 50.7 -61.0 25 25 A H S < S+ 0 0 169 -3,-1.7 -1,-0.2 1,-0.1 -2,-0.1 0.418 87.3 104.2 68.2 -7.3 27.5 48.7 -63.2 26 26 A T S S- 0 0 28 290,-0.1 -1,-0.1 -5,-0.0 -3,-0.1 0.984 74.2-135.9 -68.8 -62.8 26.8 45.7 -60.9 27 27 A G - 0 0 4 -7,-0.1 235,-2.7 235,-0.1 236,-0.3 0.097 17.7-149.3 109.6 136.8 24.5 43.6 -63.1 28 28 A T E -AB 20 261A 5 -8,-1.6 -8,-2.2 233,-0.3 2,-0.5 -0.789 17.3-128.7-133.2 176.4 21.3 41.8 -62.2 29 29 A Y E +AB 19 260A 75 231,-1.8 231,-2.0 -2,-0.2 2,-0.3 -0.998 45.7 178.6-125.4 115.5 19.1 38.8 -63.1 30 30 A S E -AB 18 259A 1 -12,-2.5 -12,-1.3 -2,-0.5 2,-0.3 -0.805 29.4-169.7-128.9 169.6 15.6 39.9 -63.7 31 31 A I E - B 0 258A 15 227,-1.6 227,-1.6 -2,-0.3 2,-0.5 -0.949 22.7-131.8-144.3 157.2 12.0 39.1 -64.6 32 32 A F E S+ B 0 257A 157 -2,-0.3 225,-0.2 225,-0.2 224,-0.2 -0.961 71.6 13.2-120.6 123.2 9.1 41.3 -65.5 33 33 A G E + 0 0 47 223,-2.8 2,-0.3 -2,-0.5 -1,-0.2 0.759 64.3 156.9 82.4 109.8 5.6 41.0 -64.0 34 34 A H E - B 0 255A 46 221,-1.2 221,-2.9 -3,-0.1 2,-0.3 -0.968 17.9-163.0-159.7 152.2 5.0 38.8 -60.9 35 35 A Q E + B 0 254A 101 -2,-0.3 2,-0.3 219,-0.2 219,-0.2 -1.000 8.9 174.1-147.4 137.7 2.4 38.7 -58.2 36 36 A M E - B 0 253A 11 217,-1.5 217,-3.4 -2,-0.3 2,-0.3 -0.994 13.2-154.9-143.1 140.4 2.2 37.1 -54.8 37 37 A R E - B 0 252A 115 -2,-0.3 2,-0.4 215,-0.3 215,-0.2 -0.844 0.6-156.7-116.2 153.8 -0.5 37.4 -52.1 38 38 A F E - B 0 251A 4 213,-1.4 213,-2.3 -2,-0.3 2,-1.1 -0.998 16.6-136.5-130.4 127.4 -0.2 36.9 -48.4 39 39 A D E > - B 0 250A 60 -2,-0.4 3,-2.1 211,-0.2 211,-0.2 -0.750 16.4-161.9 -84.8 103.7 -3.2 36.0 -46.2 40 40 A L G > S+ 0 0 6 209,-2.0 3,-0.6 -2,-1.1 -1,-0.2 0.543 82.7 69.3 -64.5 -10.0 -2.7 38.4 -43.2 41 41 A S G 3 S+ 0 0 72 208,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.466 92.7 62.3 -85.9 -1.7 -5.0 36.4 -40.9 42 42 A K G < S- 0 0 150 -3,-2.1 2,-0.2 1,-0.4 -1,-0.2 0.473 122.7 -74.1 -98.5 -4.7 -2.4 33.7 -41.0 43 43 A G < - 0 0 15 -3,-0.6 -1,-0.4 -4,-0.2 238,-0.2 -0.747 62.2 -53.2 135.8 175.2 0.3 35.8 -39.4 44 44 A F - 0 0 1 236,-2.6 2,-2.6 -2,-0.2 187,-0.1 -0.788 46.0-132.0 -91.1 123.6 2.6 38.7 -40.1 45 45 A P + 0 0 3 0, 0.0 2,-0.7 0, 0.0 189,-0.1 -0.230 55.3 140.7 -69.1 49.4 4.8 38.1 -43.2 46 46 A L - 0 0 2 -2,-2.6 -43,-0.1 234,-0.1 -2,-0.1 -0.886 63.0-105.7 -94.1 118.4 8.1 39.2 -41.6 47 47 A L - 0 0 3 -2,-0.7 5,-0.4 180,-0.3 3,-0.2 -0.180 33.5-174.5 -47.1 130.0 10.7 36.7 -42.9 48 48 A T S S+ 0 0 1 229,-0.2 259,-2.6 1,-0.2 -1,-0.1 0.636 78.4 71.6 -99.6 -18.3 11.8 34.0 -40.4 49 49 A T S S+ 0 0 0 257,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.378 113.8 21.5 -77.2 6.9 14.5 32.6 -42.7 50 50 A K S S- 0 0 18 -3,-0.2 2,-0.4 257,-0.1 259,-0.2 -0.878 91.8-103.8-171.0 137.1 16.5 35.8 -42.1 51 51 A K - 0 0 131 256,-0.3 259,-0.3 -2,-0.3 -3,-0.1 -0.580 36.3-172.6 -73.6 119.2 16.5 38.4 -39.4 52 52 A V - 0 0 5 -2,-0.4 2,-1.1 -5,-0.4 3,-0.1 -0.969 27.7-121.2-117.2 125.2 14.8 41.6 -40.4 53 53 A P >> - 0 0 59 0, 0.0 4,-0.9 0, 0.0 3,-0.6 -0.464 26.3-176.1 -66.4 95.4 14.8 44.8 -38.2 54 54 A F H 3> S+ 0 0 20 -2,-1.1 4,-2.8 1,-0.2 3,-0.5 0.837 78.8 67.2 -61.9 -34.0 11.1 45.5 -37.6 55 55 A G H 3> S+ 0 0 45 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.912 98.7 50.4 -54.1 -43.2 12.1 48.6 -35.7 56 56 A L H <> S+ 0 0 48 -3,-0.6 4,-1.3 1,-0.2 -1,-0.3 0.820 111.3 50.0 -64.5 -30.6 13.4 50.2 -38.8 57 57 A I H X S+ 0 0 2 -4,-0.9 4,-2.2 -3,-0.5 -2,-0.2 0.929 111.4 46.5 -75.3 -45.0 10.1 49.3 -40.6 58 58 A K H X S+ 0 0 24 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.980 113.2 48.4 -60.7 -56.1 7.9 50.8 -37.8 59 59 A S H X S+ 0 0 3 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.801 114.1 46.0 -56.6 -34.2 9.8 54.1 -37.5 60 60 A E H X S+ 0 0 28 -4,-1.3 4,-2.1 -5,-0.2 -1,-0.2 0.895 113.1 48.7 -76.6 -41.0 9.9 54.6 -41.3 61 61 A L H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.933 112.6 47.6 -65.0 -45.4 6.2 53.9 -41.8 62 62 A L H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.875 107.7 56.9 -61.9 -37.5 5.2 56.1 -39.0 63 63 A W H <>S+ 0 0 0 -4,-1.3 5,-1.7 -5,-0.3 3,-0.3 0.940 109.8 46.6 -56.9 -44.1 7.4 58.8 -40.5 64 64 A F H ><5S+ 0 0 8 -4,-2.1 3,-2.3 1,-0.2 -2,-0.2 0.949 108.9 52.6 -62.4 -53.4 5.4 58.4 -43.7 65 65 A L H 3<5S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.725 103.2 58.6 -55.5 -30.7 1.9 58.5 -41.9 66 66 A H T 3<5S- 0 0 62 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.525 112.2-121.1 -78.1 -6.1 2.9 61.8 -40.2 67 67 A G T < 5 + 0 0 25 -3,-2.3 2,-0.2 1,-0.2 -3,-0.2 0.781 59.9 158.1 70.2 25.9 3.4 63.3 -43.6 68 68 A D < + 0 0 50 -5,-1.7 79,-0.3 -6,-0.2 -1,-0.2 -0.525 29.5 174.1 -84.9 151.2 7.0 64.0 -42.5 69 69 A T + 0 0 24 -2,-0.2 73,-3.0 78,-0.2 2,-0.5 0.181 49.8 102.2-137.7 8.3 9.8 64.6 -45.0 70 70 A N B > -F 141 0B 28 71,-0.3 3,-1.2 72,-0.1 4,-0.5 -0.900 63.4-144.5-107.3 124.8 12.6 65.5 -42.6 71 71 A I T >> S+ 0 0 0 69,-2.7 4,-2.3 -2,-0.5 3,-1.0 0.756 87.0 84.1 -51.7 -33.1 15.3 63.0 -41.6 72 72 A R H 3> S+ 0 0 55 1,-0.3 4,-2.4 68,-0.3 -1,-0.2 0.854 86.6 54.8 -41.0 -49.4 15.5 64.4 -38.0 73 73 A F H <4 S+ 0 0 28 -3,-1.2 4,-0.4 1,-0.2 -1,-0.3 0.898 111.1 45.5 -52.5 -46.9 12.5 62.2 -37.0 74 74 A L H X4>S+ 0 0 0 -3,-1.0 3,-2.6 -4,-0.5 5,-2.0 0.963 109.8 52.4 -63.9 -52.1 14.3 59.1 -38.2 75 75 A L H ><5S+ 0 0 9 -4,-2.3 3,-2.0 1,-0.3 -1,-0.2 0.858 103.0 60.8 -53.1 -35.7 17.7 60.0 -36.7 76 76 A Q T 3<5S+ 0 0 113 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.685 108.9 43.1 -66.1 -18.7 15.8 60.4 -33.4 77 77 A H T < 5S- 0 0 65 -3,-2.6 -1,-0.3 -4,-0.4 -2,-0.2 0.098 121.4-107.5-111.7 20.0 14.8 56.7 -33.7 78 78 A R T < 5S+ 0 0 204 -3,-2.0 2,-0.6 1,-0.2 -3,-0.2 0.835 71.0 146.7 58.2 38.2 18.3 55.6 -34.8 79 79 A N < + 0 0 0 -5,-2.0 3,-0.2 -8,-0.2 -1,-0.2 -0.907 21.1 170.4-109.4 116.5 17.1 55.0 -38.3 80 80 A H > + 0 0 99 -2,-0.6 3,-0.6 1,-0.1 4,-0.4 0.175 42.0 112.5-111.6 22.0 19.7 55.7 -41.0 81 81 A I T 3 S+ 0 0 72 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.797 87.3 35.1 -63.7 -29.3 17.9 54.4 -44.1 82 82 A W T >> S+ 0 0 36 -3,-0.2 4,-1.1 1,-0.1 3,-0.6 0.474 85.9 102.9-106.2 -0.7 17.5 57.8 -45.7 83 83 A D H X> S+ 0 0 6 -3,-0.6 4,-2.9 1,-0.2 3,-0.8 0.880 74.0 59.0 -48.6 -52.9 20.7 59.6 -44.6 84 84 A E H 3> S+ 0 0 87 -4,-0.4 4,-2.2 1,-0.3 -1,-0.2 0.849 101.1 54.7 -47.9 -45.6 22.6 59.3 -47.9 85 85 A W H <> S+ 0 0 83 -3,-0.6 4,-0.9 1,-0.2 -1,-0.3 0.880 114.8 39.6 -60.0 -38.5 19.9 61.2 -49.9 86 86 A A H < S- 0 0 24 -4,-1.5 3,-2.3 -3,-0.4 -3,-0.0 -0.420 79.9-126.5 -69.4 143.6 26.0 72.7 -51.4 94 94 A D T 3 S+ 0 0 126 1,-0.3 -1,-0.1 -2,-0.1 -4,-0.1 0.627 106.4 73.1 -62.2 -16.2 28.5 75.6 -51.4 95 95 A E T 3 S+ 0 0 91 -5,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.672 77.9 95.0 -72.2 -15.2 28.1 75.8 -47.6 96 96 A Y < + 0 0 24 -3,-2.3 2,-0.1 -6,-0.3 -5,-0.0 -0.667 47.2 168.0 -81.2 118.7 30.1 72.6 -47.5 97 97 A H + 0 0 171 -2,-0.5 -1,-0.1 3,-0.0 3,-0.1 -0.571 41.6 80.1-133.6 71.1 33.8 73.3 -46.9 98 98 A G S S- 0 0 42 1,-0.2 3,-0.1 -2,-0.1 -2,-0.0 -0.705 83.4 -18.3-148.5-160.3 35.5 70.1 -46.1 99 99 A P S S- 0 0 55 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.147 75.1 -96.2 -55.6 144.7 37.0 66.9 -47.7 100 100 A D - 0 0 118 1,-0.1 -9,-0.0 -3,-0.1 -3,-0.0 -0.449 35.5-172.6 -65.8 127.3 35.9 66.1 -51.3 101 101 A M > + 0 0 3 -2,-0.2 3,-0.9 -10,-0.1 2,-0.6 -0.386 16.6 163.8-118.6 52.2 33.1 63.6 -51.3 102 102 A T T 3 S- 0 0 80 1,-0.3 5,-0.1 2,-0.1 -2,-0.0 -0.618 78.7 -17.0 -75.9 117.8 32.8 62.8 -55.1 103 103 A D T 3> S- 0 0 86 -2,-0.6 4,-1.6 1,-0.1 -1,-0.3 0.924 76.5-178.6 51.0 55.1 30.7 59.6 -55.5 104 104 A F H <> + 0 0 18 -3,-0.9 4,-1.0 1,-0.2 -1,-0.1 0.529 64.4 76.8 -60.5 -7.5 31.2 58.6 -51.8 105 105 A G H > S+ 0 0 15 2,-0.2 4,-0.6 3,-0.1 -1,-0.2 0.996 107.8 16.8 -69.1 -76.1 29.3 55.4 -52.5 106 106 A H H > S+ 0 0 61 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.808 123.5 63.0 -68.9 -28.9 31.6 53.1 -54.4 107 107 A R H X S+ 0 0 93 -4,-1.6 4,-0.7 1,-0.3 8,-0.2 0.925 104.0 46.1 -62.4 -42.8 34.6 55.1 -53.3 108 108 A S H < S+ 0 0 20 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.654 114.6 50.9 -72.4 -15.8 33.9 54.4 -49.6 109 109 A Q H < S+ 0 0 106 -4,-0.6 -2,-0.2 -3,-0.3 -1,-0.2 0.756 115.9 38.2 -90.5 -29.2 33.4 50.7 -50.7 110 110 A K H < S+ 0 0 142 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.1 0.332 113.6 61.8-103.0 5.3 36.7 50.5 -52.7 111 111 A D X - 0 0 31 -4,-0.7 4,-1.9 -5,-0.2 -1,-0.2 -0.934 54.8-166.9-140.7 118.2 38.8 52.5 -50.3 112 112 A P T 4 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.781 94.5 51.4 -68.1 -32.8 39.6 51.7 -46.6 113 113 A E T >> S+ 0 0 163 1,-0.2 4,-1.0 2,-0.1 3,-0.7 0.957 113.0 44.2 -69.2 -51.6 40.9 55.3 -45.9 114 114 A F H 3> S+ 0 0 18 1,-0.3 4,-2.8 -7,-0.2 2,-0.8 0.839 97.5 74.2 -62.6 -36.0 37.8 57.0 -47.4 115 115 A A H 3< S+ 0 0 35 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.1 0.130 105.2 38.6 -69.9 28.7 35.5 54.6 -45.6 116 116 A A H <4 S+ 0 0 59 -2,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.443 113.1 49.5-143.1 -38.8 36.3 56.5 -42.4 117 117 A V H >X S+ 0 0 43 -4,-1.0 4,-2.2 2,-0.2 3,-1.2 0.892 115.0 47.8 -73.7 -37.9 36.5 60.1 -43.4 118 118 A Y H 3X S+ 0 0 13 -4,-2.8 4,-1.5 1,-0.3 -1,-0.2 0.906 108.6 54.3 -66.8 -40.2 33.2 59.6 -45.2 119 119 A H H 34 S+ 0 0 110 -5,-0.4 4,-0.3 1,-0.2 -1,-0.3 0.369 109.6 51.1 -76.7 8.0 31.8 58.0 -42.1 120 120 A E H <> S+ 0 0 124 -3,-1.2 4,-2.4 2,-0.1 -2,-0.2 0.783 106.4 47.3-108.0 -51.6 32.9 61.1 -40.2 121 121 A E H X S+ 0 0 25 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.797 114.2 53.7 -61.0 -26.3 31.4 63.9 -42.3 122 122 A M H X S+ 0 0 24 -4,-1.5 4,-2.8 -5,-0.2 -1,-0.2 0.917 109.0 44.1 -73.3 -47.5 28.2 61.8 -42.1 123 123 A A H > S+ 0 0 61 -4,-0.3 4,-0.8 2,-0.2 -2,-0.2 0.813 114.3 52.8 -67.1 -30.5 28.2 61.5 -38.3 124 124 A K H >X S+ 0 0 66 -4,-2.4 4,-1.8 2,-0.2 3,-0.6 0.940 110.2 47.4 -67.0 -49.1 29.0 65.2 -38.3 125 125 A F H 3X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.3 5,-0.2 0.921 108.6 53.6 -58.1 -50.0 26.0 65.9 -40.5 126 126 A D H 3X S+ 0 0 17 -4,-2.8 4,-1.1 1,-0.2 -1,-0.3 0.722 107.9 53.0 -59.9 -23.5 23.6 63.7 -38.5 127 127 A D H X - 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