==== 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 METHYLTRANSFERASE 12-JUN-97 1TSM . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR T.J.STOUT,R.M.STROUD . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 72.5 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 . 1 0.3 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 . 26 8.2 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 . 92 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 1 1 0 1 1 1 1 0 0 0 1 0 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 0 120 0, 0.0 3,-1.6 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0-179.6 4.3 28.4 -44.6 2 2 A L T 3 + 0 0 27 1,-0.3 37,-0.1 40,-0.2 4,-0.1 0.805 360.0 50.0 -53.9 -37.9 3.2 32.0 -45.0 3 3 A E T >> S+ 0 0 6 1,-0.2 3,-1.9 43,-0.1 4,-1.4 0.430 78.3 105.6 -84.9 0.3 6.4 33.4 -46.5 4 4 A Q H <> + 0 0 64 -3,-1.6 4,-2.5 1,-0.3 5,-0.3 0.876 69.8 63.2 -47.6 -46.9 6.6 30.6 -49.1 5 5 A P H 3> S+ 0 0 35 0, 0.0 4,-0.7 0, 0.0 -1,-0.3 0.765 103.5 50.0 -51.6 -29.6 5.5 33.0 -51.9 6 6 A Y H X> S+ 0 0 0 -3,-1.9 4,-1.6 2,-0.2 3,-0.8 0.956 110.7 47.3 -72.1 -54.0 8.8 35.0 -51.3 7 7 A L H 3X S+ 0 0 4 -4,-1.4 4,-2.4 1,-0.3 5,-0.2 0.829 109.1 54.4 -56.6 -37.1 11.0 31.9 -51.4 8 8 A D H 3X S+ 0 0 87 -4,-2.5 4,-1.4 1,-0.2 -1,-0.3 0.817 104.3 57.5 -67.7 -29.5 9.3 30.7 -54.6 9 9 A L H S+ 0 0 61 -4,-1.4 4,-3.6 2,-0.2 5,-0.6 0.949 105.9 47.4 -74.7 -55.3 12.3 31.5 -59.7 13 13 A V H X5S+ 0 0 0 -4,-2.6 4,-0.9 3,-0.2 -1,-0.2 0.780 114.2 51.8 -62.1 -23.1 14.5 34.4 -60.7 14 14 A L H <5S+ 0 0 48 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.981 117.0 37.8 -70.9 -58.1 17.4 32.1 -60.3 15 15 A D H <5S+ 0 0 131 -4,-2.0 -2,-0.2 -5,-0.3 -3,-0.2 0.871 137.7 15.6 -59.3 -45.9 15.9 29.4 -62.5 16 16 A E H <5S+ 0 0 117 -4,-3.6 -3,-0.2 -5,-0.1 -1,-0.2 0.529 88.5 128.4-109.7 -11.7 14.3 31.7 -65.1 17 17 A G << - 0 0 13 -4,-0.9 2,-0.3 -5,-0.6 14,-0.2 -0.246 51.8-138.1 -54.6 125.8 15.9 35.1 -64.6 18 18 A H E -A 30 0A 116 12,-1.5 12,-2.4 1,-0.1 2,-0.2 -0.688 30.5-108.4 -81.1 138.2 17.3 36.7 -67.7 19 19 A F E -A 29 0A 109 -2,-0.3 10,-0.3 10,-0.2 -1,-0.1 -0.493 43.6-178.8 -68.4 130.6 20.7 38.3 -67.0 20 20 A K E -A 28 0A 102 8,-2.7 8,-1.0 -2,-0.2 -1,-0.0 -0.858 17.5-153.3-139.3 100.3 20.2 42.1 -67.0 21 21 A P + 0 0 97 0, 0.0 2,-0.2 0, 0.0 6,-0.1 -0.353 33.7 170.4 -62.6 159.0 23.1 44.5 -66.5 22 22 A D - 0 0 57 2,-0.7 5,-0.0 4,-0.2 0, 0.0 -0.534 41.4 -41.0-146.7-155.0 21.8 47.9 -65.1 23 23 A R S S+ 0 0 205 -2,-0.2 2,-0.2 2,-0.0 4,-0.1 0.799 115.5 48.3 -52.5 -42.9 22.1 51.4 -63.5 24 24 A T S S- 0 0 29 2,-0.3 -2,-0.7 1,-0.1 291,-0.0 -0.537 92.8-111.3 -98.8 170.7 24.9 50.2 -61.2 25 25 A H S S+ 0 0 170 291,-0.5 2,-0.5 -2,-0.2 -1,-0.1 0.768 97.5 88.0 -74.5 -24.9 28.0 48.2 -61.9 26 26 A T S S- 0 0 21 -5,-0.1 -2,-0.3 1,-0.0 -4,-0.2 -0.661 78.3-143.0 -75.3 121.2 26.6 45.3 -60.0 27 27 A G - 0 0 13 -2,-0.5 235,-2.6 -6,-0.1 236,-0.3 -0.295 16.5-156.1 -80.9 171.0 24.6 43.3 -62.5 28 28 A T E -AB 20 261A 4 -8,-1.0 -8,-2.7 233,-0.3 2,-0.4 -0.786 21.8-127.9-138.5-177.8 21.3 41.4 -62.0 29 29 A Y E -AB 19 260A 69 231,-0.8 231,-2.0 -10,-0.3 2,-0.3 -0.985 42.2-178.3-130.5 127.6 19.0 38.7 -63.0 30 30 A S E -AB 18 259A 4 -12,-2.4 -12,-1.5 -2,-0.4 2,-0.3 -0.979 22.6-164.8-140.6 155.4 15.4 40.0 -63.5 31 31 A I E - B 0 258A 13 227,-2.2 227,-2.3 -2,-0.3 2,-0.5 -0.905 16.5-138.6-130.1 157.3 11.9 39.0 -64.4 32 32 A F E S+ B 0 257A 161 -2,-0.3 225,-0.2 225,-0.2 224,-0.2 -0.972 72.8 26.1-122.7 119.4 8.9 41.1 -65.4 33 33 A G E + 0 0 52 223,-1.8 2,-0.3 222,-0.7 -1,-0.2 0.802 63.9 152.8 97.6 88.9 5.5 40.3 -64.0 34 34 A H E - B 0 255A 40 221,-1.2 221,-2.8 -3,-0.1 2,-0.3 -0.981 19.4-165.8-145.1 150.9 5.0 38.6 -60.7 35 35 A Q E - B 0 254A 101 -2,-0.3 2,-0.3 219,-0.2 219,-0.2 -0.991 2.8-165.4-138.8 140.2 2.3 38.5 -58.1 36 36 A M E - B 0 253A 4 217,-2.8 217,-1.7 -2,-0.3 2,-0.4 -0.945 5.2-156.0-124.8 151.0 2.4 37.3 -54.5 37 37 A R E - B 0 252A 128 -2,-0.3 2,-0.4 215,-0.2 215,-0.2 -0.997 8.9-176.5-132.5 127.7 -0.5 36.6 -52.2 38 38 A F E - B 0 251A 2 213,-1.2 213,-2.1 -2,-0.4 2,-1.2 -0.993 20.8-143.4-127.4 122.5 -0.3 36.6 -48.4 39 39 A D E > - B 0 250A 54 -2,-0.4 3,-2.1 211,-0.2 211,-0.2 -0.755 11.4-160.2 -87.7 98.9 -3.3 35.7 -46.2 40 40 A L G > S+ 0 0 6 209,-1.8 3,-0.7 -2,-1.2 -1,-0.2 0.533 83.3 71.9 -57.1 -8.8 -2.9 38.1 -43.3 41 41 A S G 3 S+ 0 0 75 208,-0.5 -1,-0.3 1,-0.2 3,-0.1 0.406 91.9 57.8 -87.9 0.7 -5.1 35.9 -41.1 42 42 A K G < S- 0 0 139 -3,-2.1 237,-0.3 1,-0.4 -1,-0.2 0.250 127.0 -66.2-109.6 10.4 -2.4 33.3 -40.9 43 43 A G < - 0 0 12 -3,-0.7 -1,-0.4 -4,-0.1 238,-0.2 -0.234 62.6 -61.5 118.5 150.9 0.1 35.7 -39.5 44 44 A F - 0 0 2 236,-0.7 2,-2.7 1,-0.1 187,-0.1 -0.543 56.0-119.4 -66.5 118.0 2.1 38.9 -40.3 45 45 A P + 0 0 3 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.251 59.5 143.3 -61.6 61.1 4.4 38.0 -43.3 46 46 A L - 0 0 2 -2,-2.7 -43,-0.1 184,-0.1 182,-0.1 -0.912 56.9-105.7-103.7 129.0 7.7 38.7 -41.7 47 47 A L > + 0 0 2 -2,-0.5 5,-0.6 180,-0.2 3,-0.1 -0.280 33.0 179.6 -58.5 132.6 10.5 36.3 -42.7 48 48 A T T 5S+ 0 0 0 229,-0.1 259,-2.8 258,-0.1 -1,-0.2 0.667 78.8 71.7-100.9 -25.1 11.6 33.7 -40.3 49 49 A T T 5S+ 0 0 0 257,-0.2 2,-0.2 1,-0.1 -1,-0.1 0.219 115.7 16.8 -75.2 15.0 14.2 32.2 -42.7 50 50 A K T 5S- 0 0 14 257,-0.2 2,-1.0 -3,-0.1 259,-0.2 -0.740 92.0-103.7 176.2 135.3 16.2 35.4 -42.1 51 51 A K T 5 - 0 0 120 257,-1.5 259,-0.2 -2,-0.2 -3,-0.1 -0.612 36.1-173.7 -77.1 95.3 16.1 38.0 -39.4 52 52 A V < - 0 0 1 -2,-1.0 2,-1.2 -5,-0.6 3,-0.1 -0.830 30.3-121.0 -91.0 122.2 14.4 41.1 -40.8 53 53 A P >> - 0 0 60 0, 0.0 3,-0.8 0, 0.0 4,-0.7 -0.485 27.1-172.4 -65.7 95.5 14.5 44.0 -38.2 54 54 A F H >> S+ 0 0 18 -2,-1.2 3,-1.6 1,-0.2 4,-1.5 0.890 76.6 70.6 -53.7 -44.7 10.8 44.8 -37.7 55 55 A G H 3> S+ 0 0 38 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.835 95.8 51.6 -42.1 -46.0 11.7 47.9 -35.7 56 56 A L H <> S+ 0 0 51 -3,-0.8 4,-1.6 1,-0.2 -1,-0.3 0.817 104.4 56.7 -65.7 -30.7 12.9 49.8 -38.8 57 57 A I H S+ 0 0 0 -4,-0.7 5,-1.7 -5,-0.4 -2,-0.2 0.941 108.2 47.1 -60.8 -46.4 7.1 58.5 -40.6 64 64 A F H ><5S+ 0 0 8 -4,-1.9 3,-2.1 1,-0.2 -2,-0.2 0.933 110.3 50.5 -58.7 -54.9 5.0 58.0 -43.8 65 65 A L H 3<5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.747 104.8 59.7 -56.0 -30.8 1.6 58.2 -41.9 66 66 A H T 3<5S- 0 0 64 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.516 110.6-122.2 -78.0 -4.3 2.8 61.4 -40.2 67 67 A G T < 5 + 0 0 24 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.603 61.0 157.7 70.0 12.7 3.3 63.1 -43.6 68 68 A D < + 0 0 44 -5,-1.7 79,-0.3 -6,-0.2 -1,-0.2 -0.340 28.6 167.6 -73.2 144.6 6.9 63.5 -42.5 69 69 A T + 0 0 21 78,-0.2 73,-3.0 -3,-0.1 2,-0.6 0.109 48.8 104.8-138.7 8.1 9.7 64.0 -45.0 70 70 A N B > -F 141 0B 29 71,-0.3 3,-1.6 1,-0.1 4,-0.4 -0.883 63.4-146.5-104.2 118.4 12.3 65.1 -42.5 71 71 A I T >> S+ 0 0 0 69,-2.1 4,-2.2 -2,-0.6 3,-0.7 0.676 85.1 84.7 -49.8 -28.2 15.0 62.5 -41.7 72 72 A R H 3> S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.843 83.6 58.8 -47.0 -41.3 15.3 63.7 -38.1 73 73 A F H <4 S+ 0 0 34 -3,-1.6 -1,-0.2 2,-0.2 6,-0.2 0.941 110.1 44.0 -56.8 -42.6 12.3 61.5 -37.1 74 74 A L H X4>S+ 0 0 0 -3,-0.7 5,-2.4 -4,-0.4 3,-2.1 0.944 112.4 48.6 -67.9 -50.4 14.3 58.5 -38.3 75 75 A L H ><5S+ 0 0 13 -4,-2.2 3,-1.2 1,-0.3 -1,-0.2 0.835 106.2 60.7 -58.4 -31.2 17.7 59.4 -36.8 76 76 A Q T 3<5S+ 0 0 120 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.214 110.7 40.6 -80.0 11.6 15.7 60.1 -33.6 77 77 A H T < 5S- 0 0 49 -3,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.163 120.4-104.5-140.9 8.3 14.7 56.4 -33.7 78 78 A R T < 5S+ 0 0 201 -3,-1.2 2,-0.4 1,-0.3 -3,-0.2 0.479 76.6 140.3 74.4 6.1 18.0 54.9 -34.9 79 79 A N < + 0 0 0 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.2 -0.646 22.3 170.8 -81.6 128.0 16.6 54.5 -38.4 80 80 A H > + 0 0 100 -2,-0.4 3,-0.6 -3,-0.1 4,-0.3 0.123 37.1 117.2-126.6 25.0 19.2 55.3 -41.0 81 81 A I T 3 S+ 0 0 71 1,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.735 83.0 35.0 -67.6 -26.4 17.5 54.1 -44.2 82 82 A W T >> S+ 0 0 26 1,-0.1 4,-1.1 -11,-0.1 3,-1.0 0.432 82.8 106.6-110.9 2.9 17.2 57.6 -45.9 83 83 A D H X> S+ 0 0 4 -3,-0.6 4,-3.0 1,-0.2 3,-0.7 0.875 75.8 56.4 -43.3 -55.4 20.4 59.2 -44.8 84 84 A E H 3> S+ 0 0 92 -4,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.794 99.9 59.5 -52.0 -36.0 22.2 59.0 -48.1 85 85 A W H <> S+ 0 0 36 -3,-1.0 4,-0.8 2,-0.2 -1,-0.2 0.903 118.2 30.2 -62.8 -41.9 19.4 60.8 -49.9 86 86 A A H XX S+ 0 0 2 -4,-1.1 4,-1.5 -3,-0.7 3,-0.7 0.950 115.7 55.5 -83.1 -53.0 19.9 63.9 -47.7 87 87 A F H 3X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.3 5,-0.2 0.805 102.2 63.5 -47.9 -35.8 23.7 63.7 -46.9 88 88 A E H 3X S+ 0 0 97 -4,-1.6 4,-0.9 -5,-0.3 -1,-0.3 0.953 104.4 43.1 -55.1 -52.9 24.1 63.6 -50.7 89 89 A K H < S- 0 0 9 -4,-1.1 2,-2.4 -3,-0.3 3,-1.7 -0.244 77.1-125.0 -67.8 142.0 26.2 72.4 -50.9 94 94 A D T 3 S+ 0 0 151 1,-0.3 -1,-0.1 3,-0.1 3,-0.1 -0.484 111.8 57.8 -79.8 67.1 28.4 75.5 -50.9 95 95 A E T 3 S+ 0 0 79 -2,-2.4 2,-0.3 -5,-0.2 -1,-0.3 0.078 82.9 95.3-162.9 -37.3 28.3 75.4 -47.1 96 96 A Y < - 0 0 21 -3,-1.7 2,-0.3 -6,-0.3 -1,-0.2 -0.512 52.0-179.7 -68.8 123.8 29.8 71.9 -46.9 97 97 A H + 0 0 172 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.1 -0.753 40.7 75.3-134.8 86.6 33.5 72.2 -46.4 98 98 A G S S- 0 0 40 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 -0.847 79.4 -18.3-163.3-164.2 35.2 68.8 -46.2 99 99 A P - 0 0 57 0, 0.0 -1,-0.3 0, 0.0 0, 0.0 0.210 67.1 -95.6 -47.4 172.6 36.3 65.8 -48.4 100 100 A D + 0 0 111 1,-0.1 4,-0.1 2,-0.1 -2,-0.0 0.813 38.9 178.2 -63.8 -46.5 35.1 64.9 -51.9 101 101 A M > + 0 0 3 1,-0.2 3,-1.1 2,-0.1 2,-0.3 0.695 14.9 174.3 43.4 28.7 32.4 62.3 -51.3 102 102 A T T 3 S- 0 0 70 1,-0.3 5,-0.2 2,-0.1 -1,-0.2 -0.539 76.3 -24.3 -67.8 124.3 31.7 62.0 -55.1 103 103 A D T > S- 0 0 122 -2,-0.3 3,-2.1 1,-0.1 4,-0.3 0.719 92.2-179.1 34.0 35.3 29.1 59.2 -55.6 104 104 A F G X> + 0 0 7 -3,-1.1 4,-2.3 1,-0.3 3,-0.9 0.559 59.3 74.6 -26.3 -50.7 30.5 58.0 -52.3 105 105 A G G 34 S+ 0 0 16 1,-0.3 -1,-0.3 2,-0.2 4,-0.1 0.784 100.2 49.3 -45.7 -31.8 28.5 54.9 -51.6 106 106 A H G X> S+ 0 0 71 -3,-2.1 4,-1.4 2,-0.2 3,-0.8 0.839 108.5 49.2 -77.3 -40.1 30.6 53.2 -54.3 107 107 A R T <4 S+ 0 0 75 -3,-0.9 -2,-0.2 -4,-0.3 -1,-0.2 0.799 105.5 60.2 -67.8 -33.9 34.0 54.3 -52.9 108 108 A S T 3< S+ 0 0 21 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.612 106.8 47.0 -69.8 -13.0 32.8 53.1 -49.5 109 109 A Q T <4 S+ 0 0 80 -3,-0.8 -2,-0.2 -5,-0.3 -1,-0.2 0.751 118.3 37.5 -96.7 -30.2 32.5 49.6 -51.0 110 110 A K S < S- 0 0 182 -4,-1.4 -2,-0.2 2,-0.0 -3,-0.1 0.068 107.5-176.1-100.8 19.9 35.9 49.6 -52.7 111 111 A D - 0 0 94 -5,-0.1 -3,-0.2 2,-0.1 2,-0.1 0.193 28.3-178.2 -28.4 101.7 36.7 51.4 -49.5 112 112 A P S > S- 0 0 79 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.239 72.4 -67.7 -83.3-165.9 40.1 52.8 -48.8 113 113 A E T >> S+ 0 0 176 1,-0.3 3,-1.0 2,-0.2 4,-0.5 0.588 126.1 94.7 -62.9 1.1 40.2 54.3 -45.2 114 114 A F H 3> + 0 0 30 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.598 64.3 73.6 -62.8 -18.0 37.8 56.7 -47.0 115 115 A A H <> S+ 0 0 21 -3,-2.1 4,-2.8 1,-0.2 -1,-0.3 0.930 99.8 44.5 -63.7 -42.7 34.9 54.6 -45.6 116 116 A A H <4 S+ 0 0 58 -3,-1.0 4,-0.5 -4,-0.3 -1,-0.2 0.688 108.4 58.1 -71.6 -21.6 35.6 56.2 -42.3 117 117 A V H X S+ 0 0 35 -4,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.939 111.2 42.9 -68.7 -48.2 35.9 59.5 -44.1 118 118 A Y H X S+ 0 0 5 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.995 115.5 45.1 -57.1 -67.9 32.3 58.9 -45.2 119 119 A H H X S+ 0 0 120 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.635 112.5 57.1 -55.5 -14.7 31.0 57.6 -41.9 120 120 A E H > S+ 0 0 111 -4,-0.5 4,-1.5 -5,-0.2 -1,-0.2 0.948 109.9 39.6 -80.0 -56.5 32.8 60.5 -40.3 121 121 A E H X S+ 0 0 13 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.761 115.4 56.1 -63.4 -26.3 31.1 63.3 -42.3 122 122 A M H X S+ 0 0 24 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.906 101.6 55.8 -71.3 -41.7 27.9 61.2 -41.9 123 123 A A H X S+ 0 0 60 -4,-1.2 4,-1.7 -5,-0.3 -2,-0.2 0.844 112.1 42.9 -60.3 -35.8 28.2 61.3 -38.1 124 124 A K H X S+ 0 0 105 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.900 111.6 52.7 -78.0 -42.0 28.4 65.1 -38.2 125 125 A F H X S+ 0 0 0 -4,-1.9 4,-0.5 1,-0.2 -2,-0.2 0.904 112.8 47.2 -58.4 -41.6 25.5 65.5 -40.8 126 126 A D H >X S+ 0 0 20 -4,-2.8 4,-1.9 2,-0.2 3,-0.9 0.920 112.0 47.3 -67.7 -45.8 23.4 63.3 -38.5 127 127 A D H 3X S+ 0 0 92 -4,-1.7 4,-2.3 1,-0.3 5,-0.3 0.870 111.3 52.5 -64.9 -37.5 24.2 65.1 -35.3 128 128 A R H 3< S+ 0 0 98 -4,-2.4 4,-0.4 1,-0.2 8,-0.3 0.565 107.5 51.9 -73.7 -14.9 23.5 68.5 -37.0 129 129 A V H << S+ 0 0 0 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.798 114.1 43.9 -87.5 -38.5 20.1 67.3 -38.2 130 130 A L H < S+ 0 0 58 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.1 0.999 127.5 24.2 -66.9 -64.2 19.2 66.2 -34.7 131 131 A H S < S+ 0 0 129 -4,-2.3 2,-0.9 1,-0.2 -3,-0.2 0.744 111.8 65.5 -79.6 -27.9 20.4 69.2 -32.7 132 132 A D >> - 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