==== 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 02-MAR-06 2G8D . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR J.S.FINER-MOORE,R.M.STROUD . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15493.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 69.3 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 . 27 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0 1 2 0 1 0 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 0 133 0, 0.0 3,-1.8 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0 164.5 4.3 28.2 -44.7 2 2 A L T 3 + 0 0 32 1,-0.3 4,-0.2 275,-0.2 37,-0.1 0.847 360.0 44.3 -56.0 -40.7 3.5 31.9 -44.7 3 3 A E T >> S+ 0 0 6 274,-0.3 3,-2.0 1,-0.2 4,-1.2 0.527 81.4 103.1 -86.6 -1.1 6.8 33.0 -46.2 4 4 A Q H <> S+ 0 0 58 -3,-1.8 4,-3.7 1,-0.3 5,-0.2 0.769 71.4 62.1 -55.2 -34.8 7.0 30.4 -48.9 5 5 A P H 3> S+ 0 0 30 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.889 102.8 55.0 -62.1 -22.2 6.0 32.7 -51.8 6 6 A Y H <> S+ 0 0 0 -3,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.960 109.7 43.5 -72.4 -46.5 9.1 34.7 -50.9 7 7 A L H X S+ 0 0 6 -4,-1.2 4,-2.4 1,-0.2 5,-0.3 0.915 112.1 54.9 -69.3 -33.9 11.3 31.6 -51.2 8 8 A D H X S+ 0 0 66 -4,-3.7 4,-2.8 1,-0.2 -1,-0.2 0.905 106.0 51.4 -63.5 -35.8 9.4 30.7 -54.4 9 9 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.944 111.4 48.0 -62.3 -41.6 10.2 34.1 -55.9 10 10 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.927 114.6 44.5 -60.3 -51.7 13.9 33.7 -55.1 11 11 A K H >X S+ 0 0 84 -4,-2.4 4,-2.2 1,-0.2 3,-0.6 0.962 111.1 55.4 -59.2 -53.2 14.1 30.2 -56.6 12 12 A K H 3X S+ 0 0 77 -4,-2.8 4,-1.4 -5,-0.3 -1,-0.2 0.865 111.4 42.3 -50.1 -43.2 12.1 31.4 -59.6 13 13 A V H 3X S+ 0 0 0 -4,-2.3 4,-1.6 3,-0.2 -1,-0.3 0.770 110.3 61.1 -72.5 -27.5 14.6 34.2 -60.3 14 14 A L H << S+ 0 0 48 -4,-1.8 -2,-0.2 -3,-0.6 -1,-0.2 0.925 118.9 23.0 -68.5 -44.3 17.5 31.8 -59.7 15 15 A D H < S+ 0 0 118 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.580 135.4 31.6-110.3 2.6 16.7 29.4 -62.3 16 16 A E H < S+ 0 0 107 -4,-1.4 -3,-0.2 -5,-0.4 -2,-0.2 0.568 84.4 101.5-124.2 -8.3 14.7 31.6 -64.6 17 17 A G < - 0 0 16 -4,-1.6 2,-0.3 -5,-0.2 14,-0.2 -0.335 63.2-125.4 -73.7 160.5 15.8 35.3 -64.6 18 18 A H E -A 30 0A 135 12,-2.0 12,-1.1 1,-0.0 2,-0.3 -0.784 25.2-102.5-104.9 154.2 17.9 36.7 -67.4 19 19 A F E +A 29 0A 109 -2,-0.3 10,-0.2 10,-0.2 -1,-0.0 -0.545 45.1 172.7 -68.9 127.4 21.1 38.4 -67.0 20 20 A K E -A 28 0A 97 8,-2.3 2,-1.4 -2,-0.3 8,-1.1 -0.979 25.1-150.9-140.1 115.8 20.4 42.1 -67.4 21 21 A P + 0 0 94 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.430 38.3 164.7 -96.0 69.3 23.3 44.4 -66.7 22 22 A D - 0 0 44 -2,-1.4 5,-0.3 1,-0.2 2,-0.3 -0.541 52.4 -9.9 -97.4 150.0 21.3 47.5 -65.6 23 23 A R S S+ 0 0 204 -2,-0.2 2,-0.2 1,-0.1 -1,-0.2 0.169 124.2 39.7 58.5 -16.1 22.0 50.9 -63.7 24 24 A T S S- 0 0 26 -2,-0.3 -1,-0.1 1,-0.0 291,-0.0 -0.736 83.5-105.5-148.4-165.6 25.4 49.4 -62.9 25 25 A H S S+ 0 0 141 -2,-0.2 -2,-0.1 291,-0.2 -3,-0.1 0.065 103.2 71.3-121.0 8.9 28.7 47.5 -63.6 26 26 A T S S- 0 0 40 -4,-0.2 2,-0.1 1,-0.0 -1,-0.1 0.909 85.6-138.6 -96.7 -62.6 27.5 44.6 -61.5 27 27 A G - 0 0 0 -5,-0.3 235,-1.7 -7,-0.1 236,-0.3 -0.236 12.0-144.0 104.4 156.2 24.7 42.7 -63.3 28 28 A T E -AB 20 261A 0 -8,-1.1 -8,-2.3 233,-0.3 2,-0.4 -0.979 15.6-124.4-146.9 158.5 21.3 41.1 -62.2 29 29 A Y E -AB 19 260A 68 231,-2.2 231,-1.9 -2,-0.3 2,-0.4 -0.895 43.0-171.1 -99.2 144.1 19.0 38.3 -62.8 30 30 A S E -AB 18 259A 6 -12,-1.1 -12,-2.0 -2,-0.4 2,-0.3 -0.990 26.9-177.7-146.7 136.0 15.6 39.5 -63.6 31 31 A I E - B 0 258A 14 227,-1.8 227,-2.3 -2,-0.4 2,-0.5 -0.948 21.8-139.4-123.1 158.7 12.0 38.5 -64.2 32 32 A F E + B 0 257A 164 -2,-0.3 225,-0.2 1,-0.2 224,-0.1 -0.956 69.0 12.3-118.5 123.7 9.2 40.8 -65.2 33 33 A G E + 0 0 47 223,-2.4 2,-0.3 -2,-0.5 -1,-0.2 0.761 65.9 157.4 86.1 102.2 5.7 40.6 -63.7 34 34 A H E - B 0 255A 41 221,-1.4 221,-3.3 -3,-0.1 2,-0.3 -0.967 17.2-165.2-149.5 160.6 5.1 38.4 -60.7 35 35 A Q E + B 0 254A 104 -2,-0.3 2,-0.3 219,-0.2 219,-0.2 -0.996 7.8 174.8-151.4 140.0 2.4 38.4 -57.9 36 36 A M E - B 0 253A 10 217,-1.9 217,-3.6 -2,-0.3 2,-0.3 -0.985 13.1-149.8-148.9 140.4 2.1 36.7 -54.5 37 37 A R E - B 0 252A 120 -2,-0.3 2,-0.4 215,-0.2 215,-0.2 -0.731 2.8-160.2-103.1 161.4 -0.3 36.8 -51.7 38 38 A F E - B 0 251A 4 213,-2.2 213,-2.0 -2,-0.3 2,-1.0 -0.988 19.6-137.0-132.6 128.0 -0.1 36.4 -47.9 39 39 A D E > - B 0 250A 65 -2,-0.4 3,-2.2 211,-0.2 211,-0.2 -0.689 16.9-160.4 -85.7 107.6 -3.2 35.5 -45.9 40 40 A L G > S+ 0 0 6 209,-2.2 3,-0.7 -2,-1.0 -1,-0.2 0.552 83.7 68.5 -72.1 -2.8 -2.7 37.9 -43.0 41 41 A S G 3 S+ 0 0 67 208,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.551 91.6 63.0 -87.7 -5.7 -4.9 35.9 -40.7 42 42 A K G < S- 0 0 158 -3,-2.2 237,-0.3 1,-0.4 -1,-0.2 0.357 124.0 -70.3 -97.8 8.5 -2.4 33.2 -40.7 43 43 A G < - 0 0 15 -3,-0.7 -1,-0.4 -4,-0.1 238,-0.2 -0.525 61.5 -62.6 118.3 162.7 0.3 35.3 -39.1 44 44 A F - 0 0 2 236,-2.1 2,-1.8 -2,-0.2 187,-0.1 -0.678 45.2-127.5 -91.5 128.6 2.5 38.3 -39.9 45 45 A P + 0 0 4 0, 0.0 2,-0.5 0, 0.0 189,-0.1 -0.381 50.9 145.3 -77.0 62.7 5.0 37.7 -42.8 46 46 A L - 0 0 1 -2,-1.8 -43,-0.1 185,-0.1 182,-0.1 -0.866 64.2-105.6 -93.7 122.4 8.3 38.8 -41.2 47 47 A L - 0 0 2 -2,-0.5 5,-0.4 180,-0.3 3,-0.3 -0.323 35.2-172.2 -59.3 127.2 10.8 36.3 -42.9 48 48 A T S S+ 0 0 2 229,-0.2 259,-2.5 1,-0.2 -1,-0.2 0.722 77.9 74.7 -81.4 -27.6 11.8 33.7 -40.3 49 49 A T S S+ 0 0 0 257,-0.2 2,-0.3 228,-0.1 -1,-0.2 0.514 112.2 15.6 -65.7 3.4 14.4 32.2 -42.6 50 50 A K S S- 0 0 18 -3,-0.3 2,-0.6 257,-0.1 259,-0.3 -0.927 92.2 -95.4-167.1 148.2 16.7 35.3 -41.8 51 51 A K - 0 0 128 257,-0.3 259,-0.3 -2,-0.3 -3,-0.1 -0.613 40.7-177.0 -75.9 114.0 16.7 38.0 -39.1 52 52 A V - 0 0 5 -2,-0.6 2,-1.0 -5,-0.4 -2,-0.0 -0.968 28.6-120.4-109.9 132.2 14.9 41.1 -40.4 53 53 A P > - 0 0 58 0, 0.0 4,-1.3 0, 0.0 3,-0.4 -0.526 24.4-173.7 -74.9 97.0 14.9 44.2 -38.1 54 54 A F H >> S+ 0 0 21 -2,-1.0 4,-3.1 1,-0.2 3,-0.5 0.892 78.1 64.0 -57.5 -41.0 11.4 45.1 -37.3 55 55 A G H 3> S+ 0 0 37 1,-0.3 4,-2.3 2,-0.2 5,-0.3 0.911 102.7 51.0 -53.2 -43.4 12.2 48.3 -35.4 56 56 A L H 3> S+ 0 0 46 -3,-0.4 4,-1.1 1,-0.2 -1,-0.3 0.901 111.5 47.3 -60.8 -37.7 13.6 49.8 -38.6 57 57 A I H <>S+ 0 0 0 -4,-1.1 5,-1.5 -5,-0.3 3,-0.8 0.982 110.8 43.5 -54.2 -57.1 7.4 58.4 -40.4 64 64 A F H ><5S+ 0 0 6 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.910 113.1 55.3 -51.8 -44.0 5.5 58.0 -43.7 65 65 A L H 3<5S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.745 103.4 51.6 -67.3 -30.0 2.2 57.9 -41.7 66 66 A H T <<5S- 0 0 67 -4,-2.1 -1,-0.3 -3,-0.8 -2,-0.2 0.542 112.7-120.7 -83.6 -4.1 2.9 61.3 -39.9 67 67 A G T < 5 + 0 0 22 -3,-1.5 -3,-0.2 -4,-0.5 -2,-0.1 0.626 60.1 155.9 75.6 14.4 3.5 62.7 -43.4 68 68 A D < + 0 0 51 -5,-1.5 79,-0.3 -6,-0.3 -1,-0.2 -0.441 28.4 179.5 -78.5 147.2 7.1 63.7 -42.2 69 69 A T + 0 0 25 78,-0.1 73,-3.2 -2,-0.1 2,-0.6 0.182 51.5 103.2-131.6 6.8 9.9 64.2 -44.8 70 70 A N B > -F 141 0B 27 71,-0.3 3,-1.4 72,-0.1 4,-0.4 -0.883 63.5-146.1-102.6 124.0 12.6 65.1 -42.4 71 71 A I T >> S+ 0 0 0 69,-2.5 4,-2.6 -2,-0.6 3,-0.7 0.696 87.0 83.7 -52.2 -27.5 15.3 62.5 -41.4 72 72 A R H 3> S+ 0 0 54 68,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.917 85.7 55.3 -54.5 -39.2 15.6 63.9 -37.9 73 73 A F H <4 S+ 0 0 29 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.900 111.5 46.1 -61.1 -37.9 12.6 61.8 -36.8 74 74 A L H X4>S+ 0 0 0 -3,-0.7 3,-3.1 -4,-0.4 5,-2.2 0.935 107.8 53.5 -66.5 -55.5 14.4 58.7 -38.1 75 75 A L H ><5S+ 0 0 13 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.812 99.7 65.2 -52.2 -30.1 17.8 59.5 -36.5 76 76 A Q T 3<5S+ 0 0 107 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.378 106.9 41.3 -74.1 2.9 15.9 59.8 -33.3 77 77 A H T < 5S- 0 0 56 -3,-3.1 -1,-0.3 2,-0.1 -2,-0.2 0.099 120.6-106.0-131.4 14.7 15.1 56.0 -33.5 78 78 A R T < 5S+ 0 0 215 -3,-1.4 2,-0.7 1,-0.2 -3,-0.2 0.899 71.9 149.8 67.4 35.3 18.5 55.1 -34.7 79 79 A N < + 0 0 0 -5,-2.2 3,-0.4 -8,-0.2 -1,-0.2 -0.861 19.4 170.0-105.7 106.4 17.0 54.6 -38.1 80 80 A H > + 0 0 99 -2,-0.7 3,-0.9 1,-0.2 4,-0.4 0.331 39.0 116.1 -95.6 8.7 19.6 55.3 -40.8 81 81 A I T 3 S+ 0 0 77 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.655 86.8 31.4 -48.8 -26.3 17.7 54.0 -43.9 82 82 A W T >> S+ 0 0 28 -3,-0.4 4,-1.1 1,-0.1 3,-0.7 0.546 83.1 103.3-120.4 -7.1 17.6 57.4 -45.5 83 83 A D H <> S+ 0 0 7 -3,-0.9 4,-2.7 1,-0.2 5,-0.3 0.796 75.2 66.4 -39.6 -43.1 20.8 59.2 -44.4 84 84 A E H 3> S+ 0 0 90 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.924 101.6 44.0 -51.4 -54.1 22.4 58.7 -47.8 85 85 A W H <> S+ 0 0 90 -3,-0.7 4,-0.7 1,-0.2 -1,-0.2 0.781 116.7 46.5 -68.4 -35.3 20.0 60.8 -49.8 86 86 A A H >X S+ 0 0 0 -4,-1.1 4,-1.3 2,-0.2 3,-0.8 0.923 114.0 46.9 -65.7 -53.6 20.0 63.7 -47.2 87 87 A F H 3X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.3 -2,-0.2 0.829 103.0 63.3 -61.9 -36.2 23.7 63.7 -46.8 88 88 A E H 3X S+ 0 0 62 -4,-2.5 4,-0.8 -5,-0.3 -1,-0.3 0.902 103.1 50.7 -55.4 -35.5 24.2 63.6 -50.5 89 89 A K H X< S+ 0 0 89 -3,-0.8 3,-0.9 -4,-0.7 -2,-0.2 0.922 108.0 50.7 -69.0 -51.9 22.5 67.0 -50.6 90 90 A W H >< S+ 0 0 22 -4,-1.3 3,-2.0 1,-0.2 -1,-0.2 0.887 103.8 61.7 -41.2 -50.9 24.7 68.5 -48.0 91 91 A V H 3< S+ 0 0 17 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.697 104.8 44.6 -63.9 -26.4 27.7 67.3 -49.9 92 92 A K T << S+ 0 0 148 -3,-0.9 -1,-0.3 -4,-0.8 2,-0.2 0.155 94.9 106.3-103.0 17.3 27.0 69.4 -53.0 93 93 A S S X S- 0 0 22 -3,-2.0 3,-1.0 1,-0.1 -3,-0.0 -0.575 76.5-121.6 -99.1 164.3 26.2 72.6 -51.1 94 94 A D T 3 S+ 0 0 146 1,-0.3 -1,-0.1 -2,-0.2 -4,-0.0 0.737 109.5 62.9 -73.0 -28.2 28.1 75.7 -50.7 95 95 A E T 3 S+ 0 0 99 -5,-0.1 2,-0.7 2,-0.0 -1,-0.3 0.473 82.9 104.7 -78.4 2.3 28.1 75.5 -47.0 96 96 A Y < + 0 0 23 -3,-1.0 2,-0.5 -6,-0.2 -5,-0.0 -0.730 40.5 170.4 -89.6 112.9 30.1 72.2 -47.3 97 97 A H + 0 0 168 -2,-0.7 -3,-0.0 2,-0.0 3,-0.0 -0.801 41.1 79.9-122.1 94.5 33.8 72.4 -46.5 98 98 A G S S- 0 0 38 -2,-0.5 -2,-0.0 -7,-0.1 0, 0.0 -0.922 85.6 -25.7-169.1-175.2 35.4 69.0 -46.4 99 99 A P - 0 0 56 0, 0.0 22,-0.0 0, 0.0 -2,-0.0 -0.263 69.5-113.3 -53.2 134.9 36.8 66.0 -48.3 100 100 A D - 0 0 102 1,-0.1 -2,-0.0 -3,-0.0 0, 0.0 0.634 33.5-162.9 -62.1 -20.1 35.1 66.1 -51.7 101 101 A M > + 0 0 1 1,-0.2 3,-1.0 2,-0.1 2,-0.2 0.702 19.4 171.8 50.2 27.3 33.1 62.9 -51.2 102 102 A T T 3 - 0 0 89 1,-0.2 -1,-0.2 2,-0.1 5,-0.1 -0.541 68.0 -4.6 -62.4 129.6 32.4 62.4 -54.9 103 103 A D T >> S+ 0 0 84 -2,-0.2 4,-2.7 1,-0.2 3,-0.8 0.761 72.3 163.9 56.4 36.2 30.8 59.0 -55.6 104 104 A F H <> + 0 0 20 -3,-1.0 4,-1.1 1,-0.2 -1,-0.2 0.612 62.4 83.1 -55.5 -14.8 31.0 57.8 -52.0 105 105 A G H 34 S+ 0 0 32 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.990 115.4 8.2 -49.5 -62.6 28.5 55.2 -53.2 106 106 A H H X> S+ 0 0 60 -3,-0.8 3,-3.3 1,-0.1 4,-0.7 0.924 124.5 68.7 -80.4 -51.5 31.3 53.0 -54.7 107 107 A R H 3< S+ 0 0 85 -4,-2.7 8,-0.3 1,-0.3 4,-0.3 0.564 98.4 50.2 -52.2 -18.6 34.2 55.0 -53.3 108 108 A S T 3< S+ 0 0 24 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.1 0.159 109.2 53.1-105.6 10.2 33.5 54.0 -49.7 109 109 A Q T <4 S+ 0 0 86 -3,-3.3 -2,-0.2 207,-0.0 -1,-0.2 0.380 117.9 32.4-124.4 -5.7 33.3 50.4 -50.7 110 110 A K S < S+ 0 0 131 -4,-0.7 -3,-0.1 1,-0.2 -2,-0.1 0.600 111.4 56.6-104.7 -87.5 36.6 50.2 -52.4 111 111 A D > - 0 0 54 -4,-0.3 4,-0.9 1,-0.2 -1,-0.2 -0.148 64.8-166.4 -41.9 126.6 39.0 52.6 -50.7 112 112 A P T 4 S+ 0 0 95 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.470 87.7 53.2-101.7 -4.3 39.0 51.5 -47.0 113 113 A E T >> S+ 0 0 141 3,-0.1 3,-1.3 2,-0.1 4,-0.8 0.903 109.3 46.9 -82.5 -66.8 40.6 54.7 -45.9 114 114 A F H >> S+ 0 0 16 1,-0.3 2,-1.9 2,-0.2 3,-1.7 0.887 102.0 66.3 -32.9 -58.8 38.0 56.9 -47.6 115 115 A A H 3< S+ 0 0 21 -4,-0.9 -1,-0.3 -8,-0.3 4,-0.1 0.180 102.1 49.6 -59.0 25.0 35.3 54.7 -46.1 116 116 A A H <4 S+ 0 0 54 -2,-1.9 -1,-0.3 -3,-1.3 -2,-0.2 0.491 105.8 50.0-139.1 -27.2 36.4 56.1 -42.7 117 117 A V H S+ 0 0 118 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.389 113.3 64.3 -75.4 2.5 31.5 57.6 -41.4 120 120 A E H > S+ 0 0 102 2,-0.1 4,-1.5 3,-0.1 -2,-0.2 0.903 105.9 34.4 -81.6 -67.3 33.3 60.6 -40.3 121 121 A E H X S+ 0 0 23 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.886 119.5 53.1 -61.7 -36.6 31.4 63.2 -42.2 122 122 A M H X S+ 0 0 20 -4,-2.1 4,-3.8 2,-0.2 5,-0.3 0.919 106.2 49.4 -60.0 -50.2 28.1 61.3 -41.8 123 123 A A H < S+ 0 0 60 -4,-0.6 4,-0.5 1,-0.3 -1,-0.2 0.812 116.3 47.3 -60.0 -28.4 28.3 60.9 -37.9 124 124 A K H X S+ 0 0 106 -4,-1.5 4,-1.4 2,-0.2 -1,-0.3 0.799 112.9 47.6 -80.5 -40.4 28.9 64.6 -38.0 125 125 A F H X S+ 0 0 2 -4,-2.2 4,-2.1 -5,-0.2 3,-0.2 0.940 110.3 50.5 -67.3 -53.0 26.1 65.2 -40.4 126 126 A D H X S+ 0 0 17 -4,-3.8 4,-1.4 1,-0.2 -1,-0.2 0.768 109.3 54.3 -55.1 -26.4 23.6 63.1 -38.5 127 127 A D H > S+ 0 0 81 -4,-0.5 4,-1.5 -5,-0.3 -1,-0.2 0.895 104.7 49.6 -84.8 -38.3 24.5 65.0 -35.3 128 128 A R H X S+ 0 0 106 -4,-1.4 4,-3.4 -3,-0.2 8,-0.4 0.903 108.7 54.6 -62.1 -44.4 23.9 68.4 -36.6 129 129 A V H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.877 108.5 50.8 -56.3 -36.5 20.5 67.3 -37.9 130 130 A L H < S+ 0 0 56 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.892 126.1 21.3 -69.9 -31.5 19.7 66.1 -34.4 131 131 A H H < S+ 0 0 131 -4,-1.5 2,-1.0 -3,-0.2 -2,-0.2 0.775 108.0 68.7-110.9 -32.7 20.7 69.4 -32.7 132 132 A D >X - 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