==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METHYLTRANSFERASE 18-SEP-96 1VZB . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR D.L.BIRDSALL,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) . 15644.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 72.8 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 . 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 . 2 0.6 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 . 29 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 28.2 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 0 2 1 1 0 1 0 2 0 1 0 0 0 0 1 0 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 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 0 161 0, 0.0 3,-1.0 0, 0.0 41,-0.0 0.000 360.0 360.0 360.0 158.6 3.4 28.3 -45.0 2 2 A L T 3 + 0 0 24 1,-0.3 4,-0.2 2,-0.1 37,-0.1 0.947 360.0 34.5 -58.9 -62.8 3.5 32.1 -44.8 3 3 A E T >> S+ 0 0 2 1,-0.2 4,-1.6 43,-0.2 3,-1.1 0.409 86.3 99.5 -81.7 14.6 6.7 33.0 -46.3 4 4 A Q H X> S+ 0 0 61 -3,-1.0 4,-2.6 1,-0.3 3,-0.6 0.957 74.3 64.7 -69.7 -44.1 6.8 30.3 -48.9 5 5 A P H 3> S+ 0 0 39 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.816 105.2 49.5 -37.8 -33.6 5.5 32.8 -51.6 6 6 A Y H X> S+ 0 0 0 -3,-1.1 4,-2.2 2,-0.2 3,-0.7 0.969 109.4 46.9 -73.2 -47.9 8.8 34.6 -51.0 7 7 A L H < S+ 0 0 36 -4,-2.3 3,-1.5 -3,-0.5 -2,-0.2 0.993 112.4 47.4 -60.5 -65.5 17.3 32.0 -60.0 15 15 A D H 3< S+ 0 0 141 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.661 132.3 12.3 -53.4 -40.6 16.0 29.2 -62.1 16 16 A E H 3< S+ 0 0 118 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.094 90.8 128.3-130.3 33.8 14.6 31.2 -65.0 17 17 A G << - 0 0 19 -3,-1.5 2,-0.4 -4,-1.0 14,-0.1 -0.026 47.5-142.4 -68.3-177.5 16.0 34.6 -64.5 18 18 A H E -A 30 0A 101 12,-0.6 12,-1.3 -5,-0.0 2,-0.3 -0.991 24.0-101.8-152.3 136.6 17.8 36.2 -67.4 19 19 A F E -A 29 0A 116 -2,-0.4 10,-0.2 10,-0.2 8,-0.0 -0.551 42.5-175.2 -67.6 127.6 20.8 38.3 -67.1 20 20 A K E -A 28 0A 89 8,-2.0 8,-1.3 -2,-0.3 -1,-0.0 -0.962 23.7-127.3-121.7 131.8 20.0 41.9 -67.4 21 21 A P + 0 0 97 0, 0.0 2,-0.3 0, 0.0 5,-0.1 -0.206 43.1 179.6 -51.0 170.5 22.5 44.9 -67.5 22 22 A D - 0 0 45 5,-0.1 5,-0.0 1,-0.0 4,-0.0 -1.000 39.6 -62.2-167.1 179.4 21.7 47.7 -64.9 23 23 A R S S+ 0 0 181 -2,-0.3 4,-0.1 1,-0.2 -1,-0.0 0.615 128.8 20.0 -42.6 -29.5 22.1 50.9 -63.0 24 24 A T S S- 0 0 50 2,-0.4 -1,-0.2 291,-0.0 3,-0.1 0.722 102.7-110.0-105.1 -69.5 25.4 49.9 -61.8 25 25 A H S S+ 0 0 157 1,-0.5 2,-0.2 -4,-0.0 -2,-0.1 -0.047 82.6 121.2 162.6 -30.8 26.7 47.1 -63.9 26 26 A T - 0 0 35 289,-0.2 -1,-0.5 1,-0.1 -2,-0.4 -0.445 69.3-132.9 -48.1 105.2 26.3 44.6 -61.1 27 27 A G - 0 0 3 -2,-0.2 235,-1.5 -3,-0.1 2,-0.3 -0.219 21.9-157.6 -58.1 173.6 24.0 42.5 -63.2 28 28 A T E -AB 20 261A 2 -8,-1.3 -8,-2.0 233,-0.3 2,-0.5 -0.866 14.3-134.3-134.4 165.4 20.8 41.3 -61.8 29 29 A Y E +AB 19 260A 74 231,-2.0 231,-2.4 -2,-0.3 2,-0.3 -0.977 42.6 166.9-116.8 134.7 18.6 38.3 -62.9 30 30 A S E -AB 18 259A 1 -12,-1.3 -12,-0.6 -2,-0.5 2,-0.3 -0.951 32.3-149.2-137.4 173.3 15.1 39.5 -63.1 31 31 A I E - B 0 258A 14 227,-1.6 227,-2.3 -2,-0.3 2,-0.5 -0.875 22.6-128.9-134.1 160.6 11.7 38.6 -64.3 32 32 A F E S+ B 0 257A 155 -2,-0.3 225,-0.3 225,-0.3 224,-0.2 -0.971 76.9 13.6-109.9 132.0 9.1 41.1 -65.4 33 33 A G E + 0 0 38 223,-2.0 2,-0.2 -2,-0.5 223,-0.2 0.736 64.5 158.3 90.8 126.3 5.7 40.6 -63.8 34 34 A H E - B 0 255A 38 221,-1.0 221,-2.3 -3,-0.1 2,-0.4 -0.878 19.8-159.7-173.7 132.2 4.9 38.5 -60.7 35 35 A Q E - B 0 254A 108 -2,-0.2 2,-0.4 219,-0.2 219,-0.2 -0.971 8.7-179.6-122.6 146.7 2.1 38.3 -58.0 36 36 A M E - B 0 253A 10 217,-1.4 217,-3.2 -2,-0.4 2,-0.3 -0.952 13.9-150.6-143.1 140.5 2.4 36.6 -54.6 37 37 A R E - B 0 252A 123 -2,-0.4 2,-0.5 215,-0.2 215,-0.2 -0.908 5.7-163.3-111.6 128.4 -0.4 36.6 -52.1 38 38 A F E - B 0 251A 3 213,-2.8 213,-1.6 -2,-0.3 2,-1.1 -0.942 15.0-145.0-121.9 113.2 -0.2 36.4 -48.2 39 39 A D E - B 0 250A 59 -2,-0.5 211,-0.2 211,-0.2 4,-0.2 -0.660 16.6-168.5 -70.5 105.0 -3.3 35.4 -46.1 40 40 A L S > S+ 0 0 5 209,-2.4 2,-1.6 -2,-1.1 3,-0.6 0.564 74.6 79.7 -79.9 -4.2 -2.6 37.7 -43.2 41 41 A S T 3 S+ 0 0 43 208,-0.4 -1,-0.3 1,-0.2 -2,-0.1 -0.436 92.5 55.7 -90.1 68.2 -5.2 36.0 -41.1 42 42 A K T 3 S- 0 0 156 -2,-1.6 2,-0.2 1,-0.3 -1,-0.2 0.336 120.5 -52.2-166.4 -30.0 -2.5 33.3 -40.5 43 43 A G < - 0 0 12 -3,-0.6 -1,-0.3 -4,-0.2 238,-0.2 -0.816 65.5 -67.1 158.6 176.8 0.5 35.3 -39.1 44 44 A F - 0 0 0 236,-3.5 2,-2.8 -2,-0.2 187,-0.1 -0.747 43.5-129.1 -93.1 125.2 2.7 38.2 -39.8 45 45 A P + 0 0 2 0, 0.0 2,-0.5 0, 0.0 186,-0.1 -0.111 54.6 143.6 -66.4 47.2 5.0 37.7 -42.9 46 46 A L - 0 0 1 -2,-2.8 -43,-0.2 234,-0.1 2,-0.1 -0.733 62.8-106.9 -78.5 137.3 8.2 38.6 -41.2 47 47 A L - 0 0 1 -2,-0.5 3,-0.4 180,-0.2 5,-0.3 -0.447 31.8-170.5 -63.2 126.2 10.7 36.3 -42.8 48 48 A T S S+ 0 0 0 1,-0.2 259,-3.0 229,-0.1 -1,-0.2 0.758 79.2 69.7 -80.7 -28.5 11.7 33.6 -40.4 49 49 A T S S+ 0 0 0 257,-0.2 2,-0.3 228,-0.1 -1,-0.2 0.262 108.9 25.7 -74.5 12.4 14.5 32.4 -42.6 50 50 A K S S- 0 0 16 -3,-0.4 259,-0.3 257,-0.2 2,-0.3 -0.873 96.7 -99.7-170.9 138.0 16.8 35.6 -42.1 51 51 A K - 0 0 118 257,-0.4 259,-0.3 -2,-0.3 -3,-0.1 -0.655 41.1-169.0 -73.3 130.8 16.7 37.8 -39.1 52 52 A V - 0 0 3 -2,-0.3 2,-2.0 -5,-0.3 3,-0.1 -0.987 20.1-135.5-126.9 120.4 14.6 41.0 -39.9 53 53 A P >> - 0 0 63 0, 0.0 3,-1.3 0, 0.0 4,-1.0 -0.513 15.0-169.2 -75.7 85.1 14.7 43.9 -37.5 54 54 A F H >> S+ 0 0 16 -2,-2.0 4,-2.4 1,-0.2 3,-0.7 0.858 77.9 76.1 -32.1 -39.8 11.0 44.8 -37.3 55 55 A G H 3> S+ 0 0 36 1,-0.3 4,-1.8 2,-0.2 5,-0.3 0.872 93.5 47.0 -49.4 -45.0 12.2 48.0 -35.5 56 56 A L H <> S+ 0 0 56 -3,-1.3 4,-2.0 1,-0.2 -1,-0.3 0.864 113.2 52.0 -71.0 -27.8 13.4 49.7 -38.6 57 57 A I H X>S+ 0 0 0 -4,-2.4 3,-2.2 -5,-0.3 5,-1.7 0.994 110.1 45.5 -69.0 -59.2 7.4 58.3 -40.4 64 64 A F H ><5S+ 0 0 6 -4,-2.4 3,-1.5 1,-0.3 -2,-0.2 0.909 113.5 51.3 -37.3 -53.0 5.5 57.6 -43.7 65 65 A L T 3<5S+ 0 0 0 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.306 103.2 56.5 -68.0 -11.5 2.2 57.7 -41.8 66 66 A H T <45S- 0 0 60 -3,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.455 118.9-108.3-102.0 -0.1 2.8 61.0 -40.1 67 67 A G T <<5 + 0 0 30 -3,-1.5 2,-0.2 -4,-0.6 -3,-0.2 0.790 63.3 171.1 87.3 32.5 3.4 62.7 -43.4 68 68 A D < + 0 0 44 -5,-1.7 79,-0.6 -6,-0.2 80,-0.4 -0.522 39.1 165.5-100.4 150.1 7.0 63.0 -42.9 69 69 A T + 0 0 21 -2,-0.2 73,-1.5 78,-0.2 2,-0.5 -0.253 50.8 112.3-133.3 32.1 9.9 63.9 -45.0 70 70 A N B >> -F 141 0B 26 71,-0.2 3,-2.7 1,-0.2 4,-0.5 -0.839 54.8-154.8-137.9 121.6 12.4 64.4 -42.2 71 71 A I H >> S+ 0 0 0 69,-1.3 3,-1.9 -2,-0.5 4,-1.8 0.774 88.5 74.3 -38.1 -45.2 15.4 62.5 -41.4 72 72 A R H 3> S+ 0 0 54 1,-0.3 4,-2.9 2,-0.2 -1,-0.3 0.740 88.8 56.7 -54.2 -27.5 15.3 63.6 -37.9 73 73 A F H <4 S+ 0 0 26 -3,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.888 111.7 44.5 -71.1 -35.9 12.4 61.3 -36.9 74 74 A L H X<>S+ 0 0 0 -3,-1.9 5,-2.7 -4,-0.5 3,-2.4 0.939 111.4 49.1 -73.7 -52.4 14.4 58.4 -38.1 75 75 A L H ><5S+ 0 0 12 -4,-1.8 3,-3.2 1,-0.3 -2,-0.2 0.962 100.9 67.5 -57.7 -46.3 17.7 59.2 -36.6 76 76 A Q T 3<5S+ 0 0 109 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.557 112.4 32.5 -47.3 -11.9 15.7 59.8 -33.3 77 77 A H T < 5S- 0 0 63 -3,-2.4 -1,-0.3 2,-0.1 -2,-0.2 -0.052 119.3-108.1-135.1 39.5 15.1 56.0 -33.3 78 78 A R T < 5 + 0 0 195 -3,-3.2 2,-0.8 1,-0.2 -3,-0.2 0.822 68.8 147.7 32.2 50.3 18.4 55.0 -35.0 79 79 A N < + 0 0 1 -5,-2.7 3,-0.3 1,-0.1 -1,-0.2 -0.916 17.7 172.6-110.4 105.0 16.7 54.2 -38.1 80 80 A H > + 0 0 50 -2,-0.8 3,-2.1 1,-0.2 4,-0.3 0.651 36.0 118.3 -92.5 -8.8 19.4 55.1 -40.6 81 81 A I T 3 S+ 0 0 66 1,-0.3 -1,-0.2 2,-0.1 4,-0.1 0.493 85.3 32.0 -36.1 -27.8 17.8 53.7 -43.8 82 82 A W T >> S+ 0 0 34 -3,-0.3 4,-1.9 2,-0.1 3,-1.2 0.494 82.6 103.5-115.2 -8.1 17.6 57.2 -45.6 83 83 A D H <> S+ 0 0 4 -3,-2.1 4,-3.6 1,-0.3 5,-0.3 0.879 79.1 58.8 -38.9 -54.5 20.6 59.1 -44.2 84 84 A E H 3> S+ 0 0 68 -4,-0.3 4,-2.4 2,-0.3 -1,-0.3 0.850 103.4 51.4 -49.0 -43.2 22.5 58.5 -47.5 85 85 A W H <> S+ 0 0 79 -3,-1.2 4,-0.9 1,-0.2 -1,-0.3 0.981 119.3 37.0 -66.1 -39.2 19.8 60.3 -49.4 86 86 A A H < S+ 0 0 2 -4,-1.9 4,-0.4 1,-0.2 -2,-0.3 0.855 113.9 52.7 -79.4 -35.1 20.1 63.2 -47.1 87 87 A F H >X S+ 0 0 0 -4,-3.6 3,-2.0 -5,-0.2 4,-1.9 0.929 99.8 69.7 -66.5 -37.9 23.9 63.2 -46.5 88 88 A E H 3X S+ 0 0 46 -4,-2.4 4,-2.8 1,-0.3 -1,-0.2 0.859 101.6 40.8 -36.8 -64.7 24.2 63.3 -50.3 89 89 A K H 3< S+ 0 0 133 -4,-0.9 -1,-0.3 2,-0.2 -2,-0.2 0.479 112.0 55.7 -69.7 -6.8 22.9 66.9 -50.6 90 90 A W H X4 S+ 0 0 27 -3,-2.0 3,-1.9 -4,-0.4 6,-0.4 0.891 111.9 42.2 -87.6 -64.9 24.7 68.1 -47.6 91 91 A V H 3< S+ 0 0 6 -4,-1.9 2,-0.5 1,-0.3 -2,-0.2 0.867 112.7 52.7 -39.4 -53.1 28.1 67.0 -49.0 92 92 A K T 3< S+ 0 0 92 -4,-2.8 -1,-0.3 -5,-0.3 2,-0.3 0.137 101.7 99.2 -79.1 33.3 27.3 68.2 -52.5 93 93 A S S < S- 0 0 35 -3,-1.9 -3,-0.1 -2,-0.5 -4,-0.0 -0.867 78.7-120.6-127.1 162.8 26.5 71.6 -50.9 94 94 A D S S+ 0 0 151 -2,-0.3 -3,-0.1 1,-0.2 -4,-0.1 0.256 111.1 52.5 -84.7 8.7 28.2 75.1 -50.3 95 95 A E S S+ 0 0 130 -5,-0.3 -1,-0.2 -4,-0.0 -4,-0.1 0.694 92.0 91.9 -90.9 -46.8 28.1 75.2 -46.5 96 96 A Y + 0 0 22 -6,-0.4 2,-0.5 1,-0.0 -6,-0.0 -0.003 51.7 169.8 -50.1 92.2 29.8 71.7 -46.7 97 97 A H + 0 0 174 -3,-0.0 -3,-0.0 0, 0.0 -1,-0.0 -0.970 38.5 83.4-101.9 141.9 33.4 72.6 -46.5 98 98 A G S S- 0 0 44 -2,-0.5 0, 0.0 -7,-0.1 0, 0.0 -0.835 78.3 -9.3 147.2 173.6 35.2 69.3 -46.0 99 99 A P - 0 0 64 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.187 67.8-103.3 -42.2 157.5 36.6 66.3 -48.0 100 100 A D + 0 0 93 1,-0.2 2,-1.4 2,-0.0 3,-0.1 0.686 48.8 170.7 -49.8 -39.4 35.8 65.7 -51.7 101 101 A M > + 0 0 0 1,-0.2 3,-1.3 2,-0.1 -1,-0.2 0.176 6.8 172.8 43.0 -1.0 33.2 62.9 -51.0 102 102 A T T 3 - 0 0 75 -2,-1.4 -1,-0.2 1,-0.2 5,-0.1 0.007 69.2 -28.7 -46.4 116.0 32.0 62.7 -54.6 103 103 A D T 3> - 0 0 107 -3,-0.1 4,-0.6 -15,-0.1 3,-0.4 0.643 64.6-176.2 15.1 74.4 29.7 59.8 -54.7 104 104 A F T X4 + 0 0 7 -3,-1.3 3,-3.7 1,-0.2 2,-0.8 0.988 47.8 116.5 -32.3 -95.9 31.0 57.5 -52.0 105 105 A G T 3> S- 0 0 18 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 -0.372 104.9 -4.8 62.5 -96.1 28.4 54.8 -52.9 106 106 A H T 34 S+ 0 0 82 -2,-0.8 4,-0.4 -3,-0.4 -1,-0.3 0.505 123.1 79.5-104.9 -22.1 31.0 52.3 -53.9 107 107 A R T << S+ 0 0 85 -3,-3.7 3,-0.2 -4,-0.6 -2,-0.2 0.747 106.2 39.8 -53.0 -25.6 34.1 54.6 -53.5 108 108 A S T 4 S+ 0 0 8 -4,-0.4 2,-4.3 1,-0.1 3,-0.4 0.774 104.7 70.5 -78.2 -85.9 33.6 53.8 -49.9 109 109 A Q S < S+ 0 0 76 -4,-0.8 -2,-0.2 1,-0.2 -1,-0.1 0.165 116.1 16.5 -23.3 -5.9 32.7 50.1 -50.7 110 110 A K S S+ 0 0 184 -2,-4.3 -1,-0.2 -4,-0.4 -2,-0.1 -0.151 115.0 68.9-160.2 62.3 36.3 49.1 -51.7 111 111 A A > - 0 0 42 -3,-0.4 2,-2.9 2,-0.1 3,-1.3 0.420 53.6-173.6-164.5 22.1 38.6 51.8 -50.3 112 112 A P T 3 S+ 0 0 91 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.157 82.5 64.5 27.2 -34.6 39.1 52.0 -46.4 113 113 A E T >> S+ 0 0 162 -2,-2.9 4,-1.1 -5,-0.1 3,-1.1 0.883 120.7 30.9 -68.8 -58.3 41.2 55.2 -46.0 114 114 A F H <> S+ 0 0 18 -3,-1.3 4,-0.7 1,-0.3 5,-0.2 0.579 108.0 66.6 -71.0 -14.0 37.9 56.7 -47.5 115 115 A A H 34 S+ 0 0 30 -7,-0.2 -1,-0.3 3,-0.1 -7,-0.1 0.351 108.6 45.5 -87.5 13.7 35.3 54.2 -46.1 116 116 A A H <> S+ 0 0 55 -3,-1.1 4,-1.3 -5,-0.1 5,-0.3 0.688 106.4 53.2-115.6 -48.9 36.3 55.8 -42.7 117 117 A V H >X S+ 0 0 63 -4,-1.1 4,-2.5 1,-0.2 3,-1.3 0.971 111.4 48.7 -49.8 -71.2 36.3 59.5 -43.6 118 118 A Y H 3X S+ 0 0 36 -4,-0.7 4,-2.9 1,-0.2 5,-0.2 0.792 105.5 62.8 -25.3 -51.4 32.7 59.2 -44.9 119 119 A H H 3> S+ 0 0 125 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.729 112.2 29.6 -59.3 -48.5 31.7 57.3 -41.7 120 120 A E H X S+ 0 0 95 -4,-4.2 4,-1.0 1,-0.2 3,-0.5 0.967 111.0 41.7 -61.7 -64.5 29.0 64.3 -38.1 125 125 A F H >X S+ 0 0 2 -4,-2.6 4,-1.1 1,-0.2 3,-1.0 0.794 109.4 57.6 -47.6 -47.4 26.0 65.2 -40.2 126 126 A D H >X S+ 0 0 15 -4,-2.9 4,-2.4 1,-0.3 3,-1.6 0.972 108.1 47.8 -54.1 -45.5 23.6 62.8 -38.3 127 127 A D H > S+ 0 0 71 2,-0.2 3,-1.4 -3,-0.1 4,-0.9 0.956 113.2 44.8 -85.5 -46.1 17.8 75.0 -38.5 135 135 A F H >>>S+ 0 0 11 1,-0.3 4,-3.1 2,-0.2 3,-1.5 0.951 108.8 57.9 -60.2 -48.0 20.2 72.7 -40.4 136 136 A A H 3X>S+ 0 0 5 -4,-2.1 5,-1.2 -8,-0.5 4,-0.6 0.803 100.1 60.7 -45.5 -33.1 17.9 69.9 -40.0 137 137 A A H <45S+ 0 0 64 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.775 116.4 25.9 -78.1 -29.6 15.2 71.9 -41.8 138 138 A K H <<5S+ 0 0 154 -3,-1.5 -2,-0.2 -4,-0.9 -1,-0.2 0.697 135.5 29.8-103.4 -25.0 17.1 72.4 -45.1 139 139 A Y H <5S+ 0 0 20 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.775 124.2 42.7-102.2 -30.7 19.4 69.3 -45.1 140 140 A G T <> S- 0 0 7 -2,-0.5 3,-1.3 -81,-0.1 4,-0.8 -0.920 75.1 -69.1-160.1 167.1 9.5 60.8 -50.5 146 146 A Y H >> S+ 0 0 15 -2,-0.3 4,-2.5 1,-0.3 3,-1.8 0.757 125.0 58.9 -43.5 -49.3 6.6 58.6 -49.5 147 147 A G H 3> S+ 0 0 0 -79,-0.6 4,-2.0 1,-0.3 -1,-0.3 0.901 114.0 43.1 -48.6 -37.9 5.3 60.5 -46.4 148 148 A S H <> S+ 0 0 15 -3,-1.3 4,-0.6 -80,-0.4 -1,-0.3 0.674 113.7 47.8 -82.8 -16.1 4.8 63.5 -48.8 149 149 A Q H << S+ 0 0 4 -3,-1.8 34,-0.2 -4,-0.8 -2,-0.2 0.767 118.6 41.1 -96.5 -25.9 3.3 61.6 -51.8 150 150 A W H < S+ 0 0 0 -4,-2.5 14,-2.1 -5,-0.2 3,-0.2 0.907 129.8 24.0 -77.2 -48.9 0.8 59.7 -49.7 151 151 A R H < S+ 0 0 57 -4,-2.0 -3,-0.2 -5,-0.4 -2,-0.1 0.398 132.2 24.2-107.1 0.7 -0.2 62.6 -47.3 152 152 A A < + 0 0 24 -4,-0.6 2,-0.5 -5,-0.2 10,-0.2 -0.354 63.9 176.2-164.5 71.6 0.5 65.9 -49.2 153 153 A W E -G 161 0C 52 8,-2.7 8,-2.4 -3,-0.2 -4,-0.1 -0.621 36.0-122.6 -77.3 125.9 0.5 65.5 -52.8 154 154 A H E -G 160 0C 97 -2,-0.5 6,-0.2 6,-0.2 5,-0.2 -0.448 28.4-143.3 -74.5 152.7 1.0 69.0 -54.2 155 155 A T - 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