==== 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 OXIDOREDUCTASE, TRANSFERASE 19-MAY-06 2H2Q . COMPND 2 MOLECULE: BIFUNCTIONAL DIHYDROFOLATE REDUCTASE-THYMIDYLATE . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR O.SENKOVICH,N.SCHORMANN,D.CHATTOPADHYAY . 1006 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45710.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 696 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 132 13.1 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 101 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 214 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.4 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 4 1 7 5 1 1 0 2 4 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 4 0 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 10 3 2 4 2 2 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 2 0 0 2 0 0 2 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 2 A S 0 0 100 0, 0.0 3,-0.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -41.2 89.9 11.1 -4.1 2 3 A L + 0 0 153 1,-0.2 4,-0.1 3,-0.1 0, 0.0 0.728 360.0 50.9 -68.5 -23.2 91.4 7.6 -4.1 3 4 A F S S+ 0 0 97 2,-0.1 -1,-0.2 358,-0.0 359,-0.1 0.605 97.4 87.6 -89.9 -15.3 93.7 8.7 -1.2 4 5 A K S S- 0 0 69 -3,-0.5 2,-0.7 1,-0.1 296,-0.0 -0.310 85.8-107.7 -80.4 165.0 90.8 10.2 0.8 5 6 A I - 0 0 4 -2,-0.1 490,-2.7 367,-0.0 2,-0.4 -0.869 31.2-141.5 -99.3 112.5 88.7 8.2 3.4 6 7 A R B -A 494 0A 142 -2,-0.7 488,-0.2 488,-0.2 487,-0.1 -0.599 15.9-126.7 -77.4 126.4 85.2 7.6 2.0 7 8 A M - 0 0 14 486,-2.5 440,-0.1 -2,-0.4 441,-0.1 -0.470 28.1-115.7 -70.9 141.4 82.5 7.9 4.6 8 9 A P > - 0 0 32 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.177 27.8-101.3 -75.1 171.2 80.1 4.9 4.9 9 10 A E T 3 S+ 0 0 204 1,-0.3 3,-0.2 2,-0.1 4,-0.1 0.641 120.6 61.9 -67.0 -13.2 76.4 5.0 4.1 10 11 A T T 3 + 0 0 54 1,-0.2 3,-0.3 436,-0.1 -1,-0.3 -0.040 66.0 127.1-102.4 28.7 75.7 5.2 7.8 11 12 A V S < S+ 0 0 20 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.916 77.8 36.1 -51.6 -58.9 77.5 8.5 8.4 12 13 A A S >> S+ 0 0 48 -3,-0.2 4,-1.3 3,-0.1 3,-1.0 0.627 100.8 93.2 -76.1 -16.7 74.7 10.4 10.2 13 14 A E T 34 S+ 0 0 92 -3,-0.3 436,-0.1 1,-0.2 -3,-0.0 -0.602 92.3 19.4 -75.3 135.9 73.6 7.3 12.0 14 15 A G T 34 S+ 0 0 9 -2,-0.3 -1,-0.2 2,-0.1 262,-0.2 0.443 124.5 60.0 80.6 -1.6 75.2 6.8 15.5 15 16 A T T <4 S+ 0 0 9 -3,-1.0 473,-0.3 436,-0.1 -2,-0.2 0.448 76.9 107.9-124.2 -16.7 76.0 10.5 15.5 16 17 A R S < S- 0 0 172 -4,-1.3 2,-0.3 1,-0.1 -2,-0.1 -0.434 77.2-110.9 -69.4 136.0 72.5 11.9 15.2 17 18 A L - 0 0 16 122,-0.2 3,-0.1 1,-0.2 -1,-0.1 -0.513 27.3-172.6 -69.8 122.0 71.1 13.5 18.4 18 19 A A S S+ 0 0 57 -2,-0.3 2,-0.3 1,-0.3 121,-0.2 0.888 74.4 12.2 -78.3 -43.4 68.2 11.5 19.9 19 20 A L S S- 0 0 14 256,-0.1 -1,-0.3 120,-0.1 2,-0.3 -0.998 73.4-125.3-139.9 139.8 67.4 14.1 22.5 20 21 A R - 0 0 2 115,-1.4 119,-0.1 -2,-0.3 150,-0.1 -0.609 35.1-110.6 -79.3 139.3 68.3 17.8 23.1 21 22 A A - 0 0 1 -2,-0.3 129,-0.5 150,-0.1 2,-0.3 -0.301 43.6-179.1 -63.4 154.4 69.8 18.8 26.5 22 23 A F E -b 171 0B 1 148,-2.3 150,-2.8 145,-0.2 151,-0.6 -0.977 24.7-133.3-154.8 162.0 67.6 20.9 28.8 23 24 A S E -bc 173 151B 10 127,-2.5 129,-3.2 -2,-0.3 2,-0.4 -0.817 22.7-133.3-116.8 161.5 67.3 22.7 32.1 24 25 A L E -bc 174 152B 0 149,-2.9 151,-3.9 -2,-0.3 2,-0.4 -0.955 12.2-166.6-126.3 133.5 64.4 22.6 34.6 25 26 A V E +b 175 0B 3 127,-2.4 2,-0.3 -2,-0.4 151,-0.2 -0.972 22.9 152.8-120.6 129.6 62.6 25.5 36.4 26 27 A V E -b 176 0B 6 149,-2.2 151,-2.8 -2,-0.4 2,-0.4 -0.995 33.0-147.6-155.3 148.9 60.2 24.8 39.3 27 28 A A E +b 177 0B 18 -2,-0.3 2,-0.3 149,-0.2 151,-0.2 -0.991 26.7 179.0-118.4 132.9 58.8 26.3 42.5 28 29 A V E -b 178 0B 7 149,-3.1 151,-3.9 -2,-0.4 6,-0.2 -0.900 26.3-127.9-128.8 155.7 58.0 24.0 45.5 29 30 A D E > -b 179 0B 2 4,-1.9 3,-2.0 -2,-0.3 151,-0.2 -0.472 46.6 -95.4 -85.9 174.5 56.6 24.2 49.0 30 31 A E T 3 S+ 0 0 83 151,-1.7 152,-0.1 149,-0.7 150,-0.1 0.681 127.9 58.2 -70.7 -16.5 58.6 22.6 51.8 31 32 A R T 3 S- 0 0 134 150,-0.4 -1,-0.3 2,-0.1 151,-0.1 0.362 122.5-109.6 -86.2 2.5 56.4 19.4 51.5 32 33 A G < + 0 0 8 -3,-2.0 158,-3.0 1,-0.3 2,-0.2 0.573 68.7 147.9 81.7 12.1 57.6 19.3 47.8 33 34 A G E +J 189 0C 0 156,-0.2 -4,-1.9 1,-0.1 156,-0.3 -0.536 26.4 179.8 -82.9 146.8 54.2 20.3 46.3 34 35 A I E - 0 0 18 154,-2.9 2,-0.3 1,-0.3 155,-0.2 0.708 59.1 -21.7-115.1 -34.2 53.9 22.3 43.1 35 36 A G E -J 188 0C 6 153,-0.9 152,-2.1 5,-0.2 153,-1.9 -0.927 55.0-103.5-162.4-175.8 50.2 22.7 42.4 36 37 A D S S- 0 0 59 3,-1.9 4,-0.1 150,-0.3 150,-0.0 0.342 74.1 -89.1-102.7 4.2 46.6 21.5 43.0 37 38 A G S S+ 0 0 30 2,-0.5 3,-0.1 151,-0.1 149,-0.1 0.227 124.0 39.8 103.7 -10.0 46.3 19.8 39.6 38 39 A R S S- 0 0 177 1,-0.4 2,-0.2 44,-0.0 -3,-0.0 0.571 120.9 -1.6-134.1 -43.1 45.0 23.0 37.9 39 40 A S S S- 0 0 63 43,-0.0 -3,-1.9 0, 0.0 -2,-0.5 -0.732 73.7 -89.2-141.2-172.6 46.9 26.0 39.3 40 41 A I - 0 0 105 -5,-0.2 2,-0.7 -2,-0.2 -5,-0.2 -0.953 28.6-146.4-113.0 117.9 49.6 27.1 41.8 41 42 A P S S+ 0 0 35 0, 0.0 2,-0.3 0, 0.0 144,-0.1 -0.014 73.5 56.2 -82.5 32.1 48.3 28.0 45.4 42 43 A W - 0 0 46 -2,-0.7 2,-0.4 141,-0.0 -2,-0.1 -0.969 65.2-143.2-149.3 164.7 50.8 30.8 46.2 43 44 A N + 0 0 101 -2,-0.3 3,-0.1 175,-0.0 0, 0.0 -0.810 25.5 159.8-137.4 96.1 51.8 34.1 44.7 44 45 A V >> - 0 0 3 -2,-0.4 4,-1.7 1,-0.1 3,-1.1 -0.899 17.0-169.9-114.1 97.0 55.5 35.2 45.0 45 46 A P H 3> S+ 0 0 55 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.781 86.1 61.7 -56.1 -30.2 56.0 37.9 42.3 46 47 A E H 3> S+ 0 0 51 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.829 105.0 46.5 -65.7 -34.7 59.8 37.8 42.9 47 48 A D H <> S+ 0 0 20 -3,-1.1 4,-2.9 2,-0.2 -1,-0.2 0.848 108.6 55.2 -74.7 -36.8 59.8 34.1 41.8 48 49 A M H X S+ 0 0 112 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.826 108.6 49.8 -63.0 -33.0 57.7 35.0 38.8 49 50 A K H X S+ 0 0 118 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.922 111.0 47.5 -70.0 -46.6 60.4 37.5 37.9 50 51 A F H X S+ 0 0 61 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.915 111.1 51.6 -59.8 -44.8 63.2 34.9 38.3 51 52 A F H X S+ 0 0 58 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.895 111.9 48.2 -57.1 -43.3 61.2 32.4 36.2 52 53 A R H X S+ 0 0 124 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.954 115.4 42.6 -61.9 -52.8 60.8 35.1 33.5 53 54 A D H X S+ 0 0 33 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.912 113.3 49.4 -65.1 -47.3 64.5 36.1 33.5 54 55 A V H < S+ 0 0 23 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.883 119.1 38.9 -63.8 -37.5 66.1 32.6 33.7 55 56 A T H < S+ 0 0 0 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.754 122.7 42.4 -82.3 -25.1 63.9 31.3 30.8 56 57 A T H < S+ 0 0 31 -4,-1.8 15,-0.3 -5,-0.2 -2,-0.2 0.897 93.8 85.2 -89.1 -46.0 64.1 34.5 28.7 57 58 A K < - 0 0 130 -4,-2.8 2,-0.2 -5,-0.2 3,-0.1 -0.276 64.9-141.7 -69.1 140.5 67.7 35.7 28.9 58 59 A L - 0 0 21 1,-0.1 5,-0.2 11,-0.1 2,-0.1 -0.527 35.5 -85.3 -89.8 164.8 70.4 34.4 26.6 59 60 A R S S+ 0 0 95 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.423 88.0 4.2 -70.5 144.3 74.0 33.7 27.8 60 61 A G S S- 0 0 76 -2,-0.1 2,-0.4 3,-0.1 3,-0.1 -0.641 97.6 -20.5 96.0-137.9 76.5 36.5 27.8 61 62 A K S S- 0 0 181 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.923 107.5 -2.6-130.1 142.1 76.2 40.2 27.1 62 63 A N S S+ 0 0 162 -2,-0.4 -1,-0.2 1,-0.2 -2,-0.0 0.781 83.1 175.7 53.9 36.4 73.8 42.6 25.3 63 64 A V - 0 0 62 -5,-0.2 -1,-0.2 -3,-0.1 -3,-0.1 -0.253 22.0-164.5 -74.8 154.7 71.7 39.7 24.1 64 65 A K - 0 0 153 5,-0.1 5,-0.1 -7,-0.0 -7,-0.0 -0.918 20.6-128.5-142.7 111.5 68.4 39.9 22.1 65 66 A P + 0 0 54 0, 0.0 5,-0.2 0, 0.0 28,-0.1 -0.332 40.7 163.1 -58.7 140.8 66.0 37.0 21.8 66 67 A S - 0 0 36 3,-2.2 3,-0.2 26,-0.1 -2,-0.0 -0.967 54.9 -98.5-155.5 160.0 65.1 36.3 18.1 67 68 A P S S+ 0 0 94 0, 0.0 3,-0.2 0, 0.0 -1,-0.0 0.814 126.5 46.0 -53.0 -33.2 63.5 33.6 15.8 68 69 A A S S+ 0 0 73 1,-0.3 2,-0.3 79,-0.0 0, 0.0 0.790 129.2 20.4 -80.4 -31.7 67.1 32.6 14.8 69 70 A K S S+ 0 0 95 -3,-0.2 -3,-2.2 -5,-0.1 2,-0.3 -0.874 85.2 116.1-145.7 108.9 68.4 32.6 18.4 70 71 A R E -d 147 0B 23 76,-1.2 78,-1.9 -2,-0.3 79,-0.3 -0.949 57.7 -93.4-156.7 168.4 66.1 32.3 21.5 71 72 A N E - e 0 93B 1 21,-0.6 23,-2.3 -15,-0.3 2,-0.4 -0.572 34.0-139.4 -85.2 156.5 65.3 30.0 24.4 72 73 A A E -de 150 94B 0 77,-2.3 79,-2.5 21,-0.2 2,-0.4 -0.925 7.2-155.8-117.9 148.8 62.6 27.3 24.3 73 74 A V E -de 151 95B 0 21,-3.4 23,-3.4 -2,-0.4 2,-0.5 -0.989 5.9-159.1-127.5 121.1 60.1 26.5 27.0 74 75 A V E +de 152 96B 0 77,-3.1 79,-2.5 -2,-0.4 80,-0.4 -0.899 21.6 160.8-106.8 125.2 58.4 23.0 27.2 75 76 A M E - e 0 97B 0 21,-3.1 23,-2.7 -2,-0.5 2,-0.2 -0.902 36.6-106.7-137.7 163.5 55.1 22.5 29.1 76 77 A G E >> - e 0 98B 8 78,-1.6 4,-1.9 -2,-0.3 3,-0.6 -0.489 39.8-105.8 -83.9 162.7 52.1 20.2 29.5 77 78 A R H 3> S+ 0 0 83 21,-1.2 4,-2.2 1,-0.2 5,-0.2 0.885 120.7 52.6 -56.6 -43.3 48.7 21.1 28.2 78 79 A K H 3> S+ 0 0 106 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.793 107.9 51.9 -65.8 -30.1 47.3 21.8 31.7 79 80 A T H <> S+ 0 0 35 -3,-0.6 4,-0.5 75,-0.4 -1,-0.2 0.851 108.3 51.7 -71.2 -38.1 50.3 24.2 32.4 80 81 A W H >< S+ 0 0 3 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.917 108.9 50.9 -60.8 -44.7 49.4 26.0 29.1 81 82 A D H 3< S+ 0 0 72 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.701 101.9 62.2 -67.6 -21.9 45.8 26.4 30.3 82 83 A S H 3< S+ 0 0 57 -4,-0.7 -1,-0.2 -3,-0.2 -2,-0.2 0.632 85.8 86.4 -80.5 -16.5 47.0 27.8 33.6 83 84 A I S << S- 0 0 24 -3,-1.1 5,-0.1 -4,-0.5 7,-0.0 -0.761 94.6-110.6 -82.3 125.8 48.6 30.8 31.8 84 85 A P >> - 0 0 69 0, 0.0 3,-1.9 0, 0.0 4,-0.8 -0.404 27.7-117.8 -58.0 131.5 45.9 33.6 31.3 85 86 A P T 34 S+ 0 0 61 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 0.630 114.0 53.7 -46.5 -26.5 45.1 33.8 27.6 86 87 A K T 34 S+ 0 0 164 1,-0.2 25,-0.0 25,-0.1 -3,-0.0 0.826 109.3 48.0 -77.8 -34.9 46.4 37.4 27.4 87 88 A F T <4 S+ 0 0 155 -3,-1.9 -1,-0.2 3,-0.0 -4,-0.0 0.518 97.5 126.5 -83.8 -8.3 49.8 36.4 29.0 88 89 A R < + 0 0 25 -4,-0.8 2,-0.2 -5,-0.1 -8,-0.0 -0.829 45.5 41.8-108.7 147.6 50.2 33.5 26.6 89 90 A P S S- 0 0 5 0, 0.0 35,-0.1 0, 0.0 5,-0.0 0.601 97.4-109.6 -70.6 163.9 52.3 32.5 24.7 90 91 A L > - 0 0 19 -2,-0.2 3,-1.0 33,-0.1 -2,-0.1 -0.511 43.8-119.0 -60.1 115.7 55.3 33.2 27.0 91 92 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.325 87.3 16.6 -70.6 140.2 56.9 36.2 25.2 92 93 A G T 3 S+ 0 0 30 1,-0.2 -21,-0.6 -2,-0.1 2,-0.3 0.576 112.3 84.3 80.3 13.0 60.5 36.0 23.8 93 94 A R E < S-e 71 0B 11 -3,-1.0 2,-0.6 -23,-0.1 -21,-0.2 -0.991 83.5-109.3-144.8 146.7 60.5 32.2 24.0 94 95 A L E -e 72 0B 6 -23,-2.3 -21,-3.4 -2,-0.3 2,-0.7 -0.708 35.1-144.3 -77.1 119.5 59.4 29.3 21.8 95 96 A N E -ef 73 124B 0 28,-2.3 30,-2.6 -2,-0.6 2,-0.6 -0.782 15.5-170.6 -91.6 114.1 56.4 27.7 23.6 96 97 A V E -ef 74 125B 2 -23,-3.4 -21,-3.1 -2,-0.7 2,-0.5 -0.925 6.5-166.6-108.3 115.3 56.4 23.9 23.2 97 98 A V E -ef 75 126B 0 28,-2.8 30,-3.2 -2,-0.6 2,-0.5 -0.879 11.5-145.1-109.2 130.5 53.1 22.4 24.5 98 99 A L E +ef 76 127B 12 -23,-2.7 -21,-1.2 -2,-0.5 2,-0.3 -0.822 39.4 137.5 -93.4 128.7 52.7 18.6 25.1 99 100 A S - 0 0 12 28,-2.4 -2,-0.0 -2,-0.5 30,-0.0 -0.907 45.7-164.0-170.4 141.1 49.2 17.3 24.3 100 101 A S S S+ 0 0 101 -2,-0.3 28,-0.1 28,-0.1 -1,-0.1 0.622 98.9 50.3 -95.3 -20.8 47.3 14.5 22.6 101 102 A T S S+ 0 0 96 1,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.959 105.4 51.0 -78.1 -57.6 44.1 16.6 22.5 102 103 A L - 0 0 46 25,-0.1 2,-0.1 -4,-0.1 -1,-0.1 -0.639 62.7-153.7 -99.9 140.7 45.1 19.9 20.9 103 104 A T > - 0 0 71 -2,-0.3 4,-1.5 23,-0.0 5,-0.1 -0.322 42.2 -94.2 -90.8-178.7 47.1 20.6 17.7 104 105 A T H > S+ 0 0 63 1,-0.2 4,-1.3 22,-0.2 5,-0.1 0.832 129.3 50.6 -66.3 -33.3 49.2 23.7 17.0 105 106 A Q H > S+ 0 0 108 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.833 106.1 55.6 -70.9 -36.7 46.1 25.3 15.4 106 107 A H H > S+ 0 0 97 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.852 106.1 51.2 -62.7 -38.5 44.0 24.5 18.4 107 108 A L H < S+ 0 0 2 -4,-1.5 3,-0.3 1,-0.2 -1,-0.2 0.852 111.9 46.3 -68.2 -37.1 46.4 26.3 20.7 108 109 A L H >< S+ 0 0 19 -4,-1.3 3,-1.9 1,-0.2 -2,-0.2 0.823 104.8 61.3 -72.4 -33.0 46.2 29.4 18.4 109 110 A D H 3< S+ 0 0 87 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.688 96.4 62.2 -66.3 -18.1 42.5 29.1 18.3 110 111 A G T 3< S+ 0 0 36 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.301 83.7 102.2 -89.5 8.3 42.6 29.6 22.1 111 112 A L S < S- 0 0 4 -3,-1.9 6,-0.1 1,-0.1 -25,-0.1 -0.793 82.0-119.9 -93.9 138.5 44.1 33.1 21.5 112 113 A P S S+ 0 0 67 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.803 83.4 4.1 -42.9 -51.6 41.8 36.1 21.9 113 114 A D > - 0 0 62 1,-0.1 4,-1.3 -3,-0.0 3,-0.2 -0.856 69.4-107.1-139.5 170.0 42.2 37.5 18.4 114 115 A E H > S+ 0 0 120 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.853 113.8 61.9 -64.9 -39.7 43.7 37.0 14.9 115 116 A E H > S+ 0 0 135 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.881 106.3 46.5 -52.7 -42.7 46.3 39.8 15.4 116 117 A K H > S+ 0 0 30 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.837 113.0 50.2 -70.1 -35.4 47.7 37.7 18.3 117 118 A R H < S+ 0 0 52 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.909 112.0 46.0 -68.4 -45.4 47.6 34.5 16.1 118 119 A N H >< S+ 0 0 117 -4,-3.1 3,-0.6 1,-0.2 4,-0.2 0.862 117.0 44.9 -66.8 -37.9 49.4 36.1 13.2 119 120 A L H >< S+ 0 0 113 -4,-1.8 3,-0.5 -5,-0.3 -2,-0.2 0.938 118.4 40.0 -71.3 -49.9 52.1 37.7 15.3 120 121 A H G >< S+ 0 0 45 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.047 81.2 111.1 -93.4 26.7 52.8 34.7 17.6 121 122 A A G X S+ 0 0 56 -3,-0.6 3,-0.7 1,-0.2 -1,-0.2 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