==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 06-OCT-03 1O5X . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR S.PARTHASARATHY,K.EAAZHISAI,H.BALARAM,P.BALARAM,M.R.MURTHY . 492 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20136.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 35 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 4 6 4 0 0 2 0 2 2 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 0 6 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 3 A R 0 0 119 0, 0.0 2,-0.4 0, 0.0 201,-0.1 0.000 360.0 360.0 360.0 140.2 -7.4 15.6 40.2 2 4 A K - 0 0 70 199,-0.2 33,-0.2 1,-0.1 32,-0.1 -0.677 360.0-119.2 -77.8 125.7 -3.7 16.1 40.7 3 5 A Y E -a 35 0A 72 31,-0.5 33,-2.7 -2,-0.4 2,-0.4 -0.248 25.1-154.2 -64.3 159.9 -2.1 17.8 37.8 4 6 A F E -ab 36 226A 0 221,-1.9 223,-1.5 31,-0.2 2,-0.5 -0.967 11.6-174.1-147.1 115.2 0.5 16.0 35.8 5 7 A V E -ab 37 227A 0 31,-2.9 33,-2.1 -2,-0.4 2,-0.4 -0.977 13.2-172.7-118.6 118.9 3.3 17.6 33.8 6 8 A A E -ab 38 228A 0 221,-2.8 223,-3.2 -2,-0.5 2,-0.7 -0.919 18.8-147.7-122.2 140.3 5.5 15.2 31.8 7 9 A A E -ab 39 229A 0 31,-3.0 33,-2.8 -2,-0.4 2,-1.0 -0.897 9.2-167.9-100.6 108.0 8.7 15.8 29.8 8 10 A N E -a 40 0A 3 221,-2.8 225,-0.2 -2,-0.7 226,-0.1 -0.834 4.7-177.1 -93.3 98.7 9.0 13.5 26.9 9 11 A W - 0 0 2 31,-1.5 -1,-0.2 -2,-1.0 308,-0.1 0.617 18.6-167.9 -69.3 -12.8 12.6 14.0 25.9 10 12 A K - 0 0 27 30,-0.4 2,-1.5 1,-0.2 -1,-0.2 -0.208 61.1 -22.1 52.8-145.6 12.1 11.7 22.9 11 13 A C B S+I 317 0B 0 306,-2.2 306,-2.4 -3,-0.1 2,-0.3 -0.537 111.0 106.6 -96.7 73.2 15.4 10.7 21.3 12 14 A N + 0 0 34 -2,-1.5 30,-0.4 304,-0.2 2,-0.1 -0.998 35.3 73.8-148.8 146.4 17.5 13.6 22.5 13 15 A G - 0 0 15 -2,-0.3 2,-0.3 28,-0.1 3,-0.1 -0.315 41.0-140.6 131.5 149.5 20.2 14.3 25.0 14 16 A T > - 0 0 52 -2,-0.1 4,-2.6 1,-0.1 5,-0.3 -0.887 39.8-106.7-122.3 165.2 23.9 13.9 25.8 15 17 A L H > S+ 0 0 53 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.939 123.1 48.1 -58.1 -39.7 25.2 13.2 29.3 16 18 A E H > S+ 0 0 149 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 110.6 49.0 -68.1 -42.1 26.4 16.8 29.4 17 19 A S H > S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 112.1 49.4 -68.0 -35.3 23.1 18.3 28.2 18 20 A I H X S+ 0 0 3 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.876 106.4 56.1 -71.2 -37.3 21.2 16.3 30.8 19 21 A K H X S+ 0 0 136 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.950 113.1 41.9 -57.9 -45.4 23.5 17.3 33.6 20 22 A S H X S+ 0 0 62 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.923 116.8 46.5 -66.4 -40.8 22.8 21.0 32.8 21 23 A L H X S+ 0 0 15 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.926 111.3 50.0 -72.0 -44.0 19.1 20.5 32.3 22 24 A T H X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 32,-0.2 0.867 108.3 55.2 -62.9 -36.2 18.5 18.4 35.4 23 25 A N H X S+ 0 0 92 -4,-1.7 4,-1.0 -5,-0.3 -1,-0.2 0.936 108.4 47.3 -61.9 -42.3 20.3 21.0 37.4 24 26 A S H < S+ 0 0 18 -4,-1.8 3,-0.5 1,-0.2 4,-0.3 0.896 111.6 51.1 -65.6 -36.1 18.0 23.7 36.2 25 27 A F H >< S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.924 104.1 57.6 -67.2 -41.6 15.0 21.5 36.9 26 28 A N H 3< S+ 0 0 22 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.754 95.1 67.3 -60.4 -24.9 16.2 20.8 40.5 27 29 A N T 3< S+ 0 0 125 -4,-1.0 2,-0.6 -3,-0.5 -1,-0.3 0.667 79.9 94.5 -69.4 -15.6 16.2 24.6 41.2 28 30 A L S < S- 0 0 13 -3,-2.0 2,-0.6 -4,-0.3 -3,-0.0 -0.673 70.4-145.6 -81.0 123.2 12.5 24.7 40.9 29 31 A D + 0 0 139 -2,-0.6 2,-0.3 2,-0.0 -2,-0.1 -0.778 37.7 144.3 -85.7 120.9 10.7 24.4 44.2 30 32 A F - 0 0 11 -2,-0.6 26,-0.0 216,-0.0 213,-0.0 -0.957 49.6-114.9-148.3 165.6 7.5 22.5 44.0 31 33 A D >> - 0 0 78 -2,-0.3 3,-2.2 1,-0.1 4,-1.2 -0.878 16.1-162.0-108.4 107.8 5.5 20.1 46.2 32 34 A P T 34 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.637 88.4 68.1 -70.8 -7.4 5.3 16.6 44.6 33 35 A S T 34 S+ 0 0 75 1,-0.2 3,-0.1 3,-0.1 -2,-0.0 0.645 110.2 35.7 -78.5 -14.3 2.4 15.7 46.9 34 36 A K T <4 S+ 0 0 152 -3,-2.2 -31,-0.5 1,-0.3 2,-0.3 0.667 126.9 26.2-106.9 -25.0 0.3 18.3 45.0 35 37 A L E < -a 3 0A 7 -4,-1.2 2,-0.5 -33,-0.2 -1,-0.3 -0.992 67.2-136.5-145.1 135.5 1.6 17.9 41.5 36 38 A D E -a 4 0A 17 -33,-2.7 -31,-2.9 -2,-0.3 2,-0.4 -0.838 20.8-178.8 -91.9 132.1 3.2 15.1 39.5 37 39 A V E -a 5 0A 0 -2,-0.5 21,-2.8 19,-0.5 2,-0.4 -0.989 9.3-173.3-130.3 121.3 6.1 16.1 37.3 38 40 A V E -ac 6 58A 0 -33,-2.1 -31,-3.0 -2,-0.4 2,-0.5 -0.957 13.3-156.0-125.0 132.6 7.6 13.2 35.4 39 41 A V E -ac 7 59A 0 19,-2.6 21,-2.0 -2,-0.4 -31,-0.2 -0.921 3.5-165.9-108.9 131.0 10.7 13.0 33.2 40 42 A F E +a 8 0A 0 -33,-2.8 -31,-1.5 -2,-0.5 -30,-0.4 -0.822 16.0 176.0-118.0 88.0 11.0 10.4 30.4 41 43 A P - 0 0 0 0, 0.0 21,-0.5 0, 0.0 5,-0.1 -0.357 44.4 -77.4 -80.5 168.2 14.6 10.2 29.2 42 44 A V >> - 0 0 2 -30,-0.4 3,-1.9 -32,-0.1 4,-0.6 -0.353 51.3-107.3 -57.2 147.7 16.0 7.7 26.6 43 45 A S G >4 S+ 0 0 21 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.874 119.8 48.9 -49.4 -48.3 16.4 4.2 28.1 44 46 A V G 34 S+ 0 0 4 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.594 112.4 51.3 -76.5 -6.0 20.3 4.4 28.2 45 47 A H G <> S+ 0 0 0 -3,-1.9 4,-2.5 1,-0.1 -1,-0.3 0.440 84.9 92.2 -97.9 -3.1 20.0 7.8 29.9 46 48 A Y H S+ 0 0 27 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.943 115.4 44.6 -59.3 -45.4 20.2 5.8 35.3 48 50 A H H > S+ 0 0 43 -4,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.903 115.5 48.7 -60.7 -44.1 22.0 9.1 34.8 49 51 A T H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.932 110.8 48.4 -65.6 -45.0 18.8 11.1 34.8 50 52 A R H < S+ 0 0 62 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.891 111.9 50.1 -67.0 -32.9 17.3 9.5 37.9 51 53 A K H < S+ 0 0 140 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.819 113.5 46.8 -72.4 -29.0 20.5 10.0 39.8 52 54 A L H < S+ 0 0 53 -4,-1.6 2,-0.4 -5,-0.2 -1,-0.2 0.728 100.3 74.9 -85.4 -26.8 20.6 13.7 38.8 53 55 A L S < S- 0 0 7 -4,-2.0 -30,-0.1 -5,-0.1 -31,-0.0 -0.737 83.4-120.1 -89.1 134.6 17.0 14.6 39.5 54 56 A Q > - 0 0 100 -2,-0.4 3,-2.3 -32,-0.2 -2,-0.1 -0.294 36.0-103.0 -61.2 157.0 15.8 15.1 43.1 55 57 A S T 3 S+ 0 0 108 1,-0.3 -1,-0.1 3,-0.0 4,-0.1 0.673 113.5 80.2 -65.9 -17.0 13.0 12.7 44.0 56 58 A K T 3 S+ 0 0 31 -30,-0.1 2,-0.6 -20,-0.0 -19,-0.5 0.803 86.9 72.0 -56.0 -30.2 10.3 15.4 43.7 57 59 A F S < S- 0 0 0 -3,-2.3 -19,-0.2 -21,-0.1 2,-0.2 -0.812 80.5-150.5 -83.0 124.9 10.7 14.6 40.0 58 60 A S E -c 38 0A 16 -21,-2.8 -19,-2.6 -2,-0.6 2,-0.3 -0.515 15.5-150.5 -83.2 163.1 9.2 11.2 39.1 59 61 A T E +c 39 0A 2 -21,-0.3 28,-1.2 -2,-0.2 29,-1.2 -0.946 20.8 158.9-136.5 158.6 10.8 9.3 36.2 60 62 A G E -d 88 0A 0 -21,-2.0 2,-0.3 -2,-0.3 29,-0.2 -0.904 33.7 -98.8-159.1-176.3 9.8 6.8 33.5 61 63 A I E -d 89 0A 5 27,-2.0 29,-2.0 -2,-0.3 -19,-0.1 -0.826 25.3-124.7-119.3 159.7 10.7 5.3 30.2 62 64 A Q S S+ 0 0 7 -21,-0.5 2,-0.3 -2,-0.3 31,-0.2 0.457 88.1 7.1 -84.9 -4.1 9.3 6.1 26.7 63 65 A N - 0 0 22 258,-0.1 2,-0.3 28,-0.1 28,-0.1 -0.956 60.5-158.3-165.4 162.7 8.1 2.6 25.8 64 66 A V - 0 0 1 -2,-0.3 13,-0.2 26,-0.1 2,-0.1 -0.974 31.9 -94.5-149.0 155.9 7.8 -0.9 27.3 65 67 A S - 0 0 0 11,-2.9 13,-0.3 -2,-0.3 48,-0.1 -0.359 11.2-144.8 -72.7 151.1 7.6 -4.3 25.8 66 68 A K S S+ 0 0 52 11,-0.1 2,-0.2 47,-0.1 -1,-0.1 0.520 88.1 66.2 -80.0 -9.9 4.4 -6.1 25.1 67 69 A F S S- 0 0 41 1,-0.2 11,-0.4 9,-0.1 -2,-0.1 -0.690 82.0-126.7-107.4 158.7 6.2 -9.3 26.1 68 70 A G - 0 0 41 1,-0.3 -1,-0.2 -2,-0.2 190,-0.1 -0.057 58.8 -42.8 -83.7-158.5 7.5 -10.3 29.5 69 71 A N S S+ 0 0 50 2,-0.1 2,-0.3 7,-0.0 -1,-0.3 -0.308 96.6 65.8 -63.1 149.6 11.0 -11.4 30.2 70 72 A G B S-J 258 0C 15 188,-2.4 188,-2.3 186,-0.1 2,-2.2 -0.975 92.7 -2.1 139.1-151.8 12.7 -13.8 27.7 71 73 A S S S+ 0 0 38 -2,-0.3 2,-0.2 186,-0.2 186,-0.1 -0.446 80.2 120.8 -85.1 71.9 13.9 -14.0 24.1 72 74 A Y > - 0 0 53 -2,-2.2 3,-2.5 3,-0.1 -1,-0.1 -0.660 53.0-152.0-131.8 72.0 12.9 -10.5 22.9 73 75 A T T 3 S+ 0 0 0 1,-0.3 3,-0.1 -2,-0.2 -2,-0.1 -0.216 78.4 14.1 -51.9 130.7 16.2 -8.9 21.8 74 76 A G T 3 S+ 0 0 23 1,-0.3 -1,-0.3 183,-0.1 2,-0.2 0.252 100.2 114.9 88.0 -7.6 16.1 -5.1 22.2 75 77 A E < - 0 0 8 -3,-2.5 2,-0.5 234,-0.1 -1,-0.3 -0.614 54.9-145.0 -98.4 155.8 12.9 -4.9 24.4 76 78 A V - 0 0 14 -2,-0.2 -11,-2.9 -3,-0.1 2,-0.1 -0.975 22.3-145.0-114.1 114.5 12.6 -3.7 28.0 77 79 A S > - 0 0 0 -2,-0.5 4,-2.5 -13,-0.2 5,-0.2 -0.403 21.0-120.3 -78.1 159.7 9.9 -5.7 30.0 78 80 A A H > S+ 0 0 1 -11,-0.4 4,-2.7 -13,-0.3 5,-0.2 0.867 115.4 58.8 -63.0 -34.9 7.7 -4.2 32.6 79 81 A E H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.918 107.1 45.8 -61.1 -44.1 9.2 -6.7 35.0 80 82 A I H > S+ 0 0 1 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.931 112.0 51.7 -64.5 -42.2 12.7 -5.3 34.4 81 83 A A H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 3,-0.4 0.919 109.4 50.5 -58.1 -43.0 11.4 -1.8 34.7 82 84 A K H ><5S+ 0 0 80 -4,-2.7 3,-1.9 1,-0.2 -1,-0.2 0.908 105.7 54.3 -64.9 -41.6 9.8 -2.6 38.0 83 85 A D H 3<5S+ 0 0 58 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.808 109.4 49.7 -62.2 -27.0 13.0 -4.2 39.4 84 86 A L T 3<5S- 0 0 27 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.395 115.4-119.5 -87.3 2.8 14.7 -0.8 38.6 85 87 A N T < 5 + 0 0 129 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.774 51.6 166.7 59.3 30.4 11.9 1.1 40.4 86 88 A I < - 0 0 1 -5,-2.4 -1,-0.2 -6,-0.2 -26,-0.2 -0.614 20.3-161.9 -70.1 130.3 11.1 2.9 37.1 87 89 A E + 0 0 62 -28,-1.2 33,-2.7 -2,-0.3 2,-0.3 0.877 57.3 31.2 -89.5 -38.8 7.7 4.4 38.0 88 90 A Y E -de 60 120A 5 -29,-1.2 -27,-2.0 31,-0.2 2,-0.3 -0.870 53.7-164.6-126.5 152.9 6.1 5.3 34.7 89 91 A V E -de 61 121A 0 31,-1.7 33,-3.2 -2,-0.3 2,-0.4 -0.986 18.0-136.1-129.6 144.8 5.9 4.1 31.1 90 92 A I E - e 0 122A 0 -29,-2.0 2,-0.4 -2,-0.3 33,-0.2 -0.855 27.6-174.7 -93.7 136.0 4.7 5.9 27.9 91 93 A I E + e 0 123A 1 31,-2.8 33,-2.8 -2,-0.4 -28,-0.1 -0.998 57.7 10.5-130.7 136.0 2.5 3.6 25.7 92 94 A G + 0 0 1 -2,-0.4 5,-0.1 31,-0.2 -1,-0.1 0.605 69.2 174.6 80.9 14.1 1.1 4.3 22.3 93 95 A H >> - 0 0 6 -31,-0.2 4,-1.8 1,-0.2 3,-1.4 -0.223 42.4-118.1 -52.2 140.4 2.8 7.5 21.4 94 96 A F H 3> S+ 0 0 31 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.793 112.6 62.3 -57.2 -28.9 1.9 8.4 17.9 95 97 A E H 3> S+ 0 0 6 2,-0.2 4,-2.6 1,-0.2 5,-0.4 0.849 106.4 44.4 -66.4 -32.1 5.6 8.2 16.8 96 98 A R H <> S+ 0 0 10 -3,-1.4 6,-2.0 2,-0.2 4,-1.2 0.844 113.4 50.2 -76.8 -36.7 5.6 4.5 17.8 97 99 A R H < S+ 0 0 44 -4,-1.8 4,-0.3 4,-0.2 -2,-0.2 0.885 120.1 39.5 -62.3 -37.8 2.2 4.0 16.1 98 100 A K H < S+ 0 0 118 -4,-2.6 3,-0.3 -5,-0.2 -2,-0.2 0.966 127.7 24.5 -77.4 -63.6 3.6 5.7 13.0 99 101 A Y H < S+ 0 0 62 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.775 133.2 34.8 -80.9 -25.1 7.2 4.6 12.6 100 102 A F S < S- 0 0 56 -4,-1.2 -1,-0.2 -5,-0.4 -3,-0.2 0.245 100.9-123.7-115.2 10.0 7.0 1.2 14.4 101 103 A H + 0 0 145 -4,-0.3 -4,-0.2 -3,-0.3 -3,-0.1 0.763 41.2 179.1 56.9 32.6 3.4 0.2 13.4 102 104 A E - 0 0 17 -6,-2.0 -1,-0.2 -9,-0.1 2,-0.2 -0.426 12.3-154.4 -65.7 135.3 2.3 -0.2 17.0 103 105 A T > - 0 0 69 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.585 30.7-101.1-105.9 169.3 -1.4 -1.1 17.0 104 106 A D H > S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.881 125.1 54.0 -52.6 -40.5 -4.2 -0.7 19.5 105 107 A E H > S+ 0 0 95 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.900 106.0 51.2 -66.9 -37.5 -3.7 -4.4 20.4 106 108 A D H > S+ 0 0 24 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.919 109.7 51.0 -60.3 -43.7 0.0 -3.7 21.1 107 109 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.931 110.4 49.2 -58.9 -46.9 -1.0 -0.8 23.3 108 110 A R H X S+ 0 0 51 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.935 112.1 47.5 -57.3 -48.2 -3.4 -3.1 25.2 109 111 A E H X S+ 0 0 67 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.901 112.0 49.3 -64.7 -38.7 -0.8 -5.7 25.7 110 112 A K H X S+ 0 0 4 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.906 112.5 49.0 -64.8 -39.8 1.8 -3.2 26.9 111 113 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.2 5,-0.3 0.936 109.9 50.6 -65.8 -43.1 -0.7 -1.7 29.3 112 114 A Q H X S+ 0 0 106 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.922 113.4 45.4 -60.5 -44.1 -1.7 -5.1 30.7 113 115 A A H X S+ 0 0 19 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.905 112.9 51.3 -64.4 -41.1 2.0 -6.0 31.3 114 116 A S H <>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 3,-0.2 0.954 113.3 42.6 -61.7 -50.0 2.7 -2.6 32.9 115 117 A L H ><5S+ 0 0 39 -4,-3.0 3,-1.9 1,-0.2 -1,-0.2 0.891 109.0 58.9 -67.7 -35.4 -0.2 -2.8 35.3 116 118 A K H 3<5S+ 0 0 167 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.879 110.1 45.0 -56.4 -35.7 0.6 -6.5 36.1 117 119 A N T 3<5S- 0 0 31 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.165 120.6-109.4-100.1 17.4 4.0 -5.3 37.2 118 120 A N T < 5 + 0 0 114 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.784 68.9 144.0 63.4 33.8 2.7 -2.3 39.2 119 121 A L < - 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