==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 11-DEC-10 3PY2 . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR M.SAMANTA,M.BANERJEE,M.R.N.MURTHY,H.BALARAM,P.BALARAM . 491 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20240.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 14.5 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 . 43 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 31.4 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 8 2 0 0 2 0 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 1 5 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 0 118 0, 0.0 2,-0.5 0, 0.0 201,-0.1 0.000 360.0 360.0 360.0 144.6 13.1 3.7 7.1 2 4 A K - 0 0 69 199,-0.2 33,-0.1 1,-0.1 32,-0.0 -0.668 360.0-121.4 -74.1 119.5 13.3 3.1 3.4 3 5 A Y E -a 35 0A 80 -2,-0.5 33,-2.5 31,-0.5 2,-0.4 -0.222 23.8-150.9 -61.8 157.9 15.2 6.1 1.9 4 6 A F E -ab 36 226A 0 221,-2.0 223,-1.2 31,-0.2 2,-0.6 -0.941 14.2-177.0-144.2 107.7 13.3 8.2 -0.7 5 7 A V E -ab 37 227A 0 31,-3.0 33,-2.1 -2,-0.4 2,-0.4 -0.944 14.5-172.6-113.3 118.3 15.0 10.1 -3.5 6 8 A A E -ab 38 228A 0 221,-2.8 223,-2.6 -2,-0.6 2,-0.7 -0.881 19.8-147.5-120.2 143.3 12.6 12.2 -5.7 7 9 A A E -ab 39 229A 0 31,-3.1 33,-3.0 -2,-0.4 2,-0.9 -0.921 9.1-170.4-107.4 108.5 13.0 14.2 -8.9 8 10 A N E -a 40 0A 2 221,-2.5 225,-0.2 -2,-0.7 226,-0.1 -0.866 4.2-178.5 -95.9 100.3 10.8 17.2 -9.2 9 11 A W - 0 0 2 31,-1.7 308,-0.1 -2,-0.9 -1,-0.1 0.597 18.7-168.4 -74.6 -11.2 11.3 18.2 -12.9 10 12 A K - 0 0 25 30,-0.4 2,-1.5 1,-0.2 -1,-0.2 -0.202 61.9 -19.9 52.5-145.7 8.9 21.1 -12.4 11 13 A C B S+I 317 0B 0 306,-1.9 306,-2.5 304,-0.1 2,-0.3 -0.525 110.3 112.1 -91.7 71.2 7.9 22.8 -15.7 12 14 A N + 0 0 35 -2,-1.5 30,-0.4 304,-0.2 2,-0.1 -0.992 34.1 62.2-144.1 147.2 10.9 21.5 -17.7 13 15 A G - 0 0 19 -2,-0.3 2,-0.3 28,-0.1 3,-0.0 -0.273 40.6-135.6 126.2 153.3 11.7 19.1 -20.6 14 16 A T > - 0 0 53 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.849 40.5-104.9-125.8 168.5 11.3 18.2 -24.2 15 17 A L H > S+ 0 0 53 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.910 124.6 48.0 -59.8 -40.0 10.6 14.7 -25.6 16 18 A E H > S+ 0 0 161 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 111.0 48.4 -64.6 -45.9 14.3 14.6 -26.7 17 19 A S H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.891 112.6 48.5 -67.1 -38.8 15.7 15.8 -23.3 18 20 A I H X S+ 0 0 2 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.900 108.8 54.5 -64.7 -41.5 13.6 13.2 -21.4 19 21 A K H X S+ 0 0 141 -4,-1.9 4,-1.2 -5,-0.2 -2,-0.2 0.912 113.8 41.5 -57.3 -45.2 14.7 10.5 -23.8 20 22 A S H X S+ 0 0 64 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.885 117.7 46.3 -70.6 -41.2 18.4 11.3 -23.1 21 23 A L H X S+ 0 0 15 -4,-2.4 4,-2.2 2,-0.2 3,-0.2 0.921 110.4 50.3 -71.6 -46.4 17.9 11.8 -19.4 22 24 A T H X S+ 0 0 2 -4,-3.0 4,-2.5 1,-0.2 32,-0.3 0.852 107.5 57.1 -59.5 -36.3 15.8 8.7 -18.7 23 25 A N H X S+ 0 0 100 -4,-1.2 4,-0.7 -5,-0.3 -1,-0.2 0.881 108.7 44.6 -61.0 -42.6 18.5 6.7 -20.6 24 26 A S H < S+ 0 0 20 -4,-1.3 3,-0.5 -3,-0.2 4,-0.3 0.859 112.4 52.9 -69.5 -37.4 21.2 7.9 -18.2 25 27 A F H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.898 102.7 58.4 -62.8 -42.8 18.9 7.2 -15.3 26 28 A N H 3< S+ 0 0 22 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.714 92.5 69.1 -61.1 -24.4 18.3 3.6 -16.4 27 29 A N T 3< S+ 0 0 128 -4,-0.7 2,-0.6 -3,-0.5 -1,-0.3 0.704 78.9 94.5 -67.5 -20.9 22.1 2.9 -16.3 28 30 A L < - 0 0 16 -3,-1.6 2,-1.0 -4,-0.3 -3,-0.0 -0.653 68.4-150.7 -79.9 117.0 21.9 3.2 -12.5 29 31 A D + 0 0 139 -2,-0.6 2,-0.3 2,-0.0 -2,-0.1 -0.774 33.5 151.3 -90.2 100.7 21.5 -0.3 -10.9 30 32 A F - 0 0 8 -2,-1.0 26,-0.0 5,-0.0 213,-0.0 -0.906 47.5-114.7-126.0 161.0 19.6 0.1 -7.7 31 33 A D >> - 0 0 74 -2,-0.3 3,-1.8 1,-0.1 4,-1.7 -0.845 17.4-162.9 -97.7 108.4 17.3 -2.2 -5.7 32 34 A P T 34 S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.626 88.5 65.0 -67.6 -13.5 13.7 -0.7 -5.6 33 35 A S T 34 S+ 0 0 81 1,-0.1 3,-0.1 3,-0.1 -2,-0.0 0.639 114.3 31.6 -78.5 -15.0 12.8 -3.1 -2.7 34 36 A K T <4 S+ 0 0 156 -3,-1.8 -31,-0.5 1,-0.3 2,-0.4 0.619 125.8 35.3-114.4 -22.4 15.4 -1.2 -0.5 35 37 A L E < -a 3 0A 8 -4,-1.7 2,-0.6 -33,-0.1 -1,-0.3 -0.996 66.5-140.6-140.7 132.8 15.3 2.3 -2.0 36 38 A D E +a 4 0A 18 -33,-2.5 -31,-3.0 -2,-0.4 2,-0.5 -0.821 20.8 177.9 -90.5 120.4 12.5 4.5 -3.3 37 39 A V E -a 5 0A 0 -2,-0.6 21,-2.8 19,-0.5 2,-0.4 -0.985 8.5-175.8-122.4 119.2 13.4 6.6 -6.4 38 40 A V E -ac 6 58A 0 -33,-2.1 -31,-3.1 -2,-0.5 2,-0.4 -0.946 12.9-158.8-121.6 134.1 10.5 8.6 -7.8 39 41 A V E -ac 7 59A 0 19,-2.6 21,-2.0 -2,-0.4 -31,-0.2 -0.936 1.9-163.1-110.8 132.4 10.4 10.8 -10.9 40 42 A F E +a 8 0A 0 -33,-3.0 -31,-1.7 -2,-0.4 -30,-0.4 -0.831 16.5 178.9-115.6 90.8 7.8 13.6 -11.3 41 43 A P - 0 0 0 0, 0.0 21,-0.5 0, 0.0 5,-0.1 -0.331 43.2 -78.2 -80.3 170.3 7.5 14.7 -14.9 42 44 A V >> - 0 0 2 -30,-0.4 3,-1.9 19,-0.1 4,-0.7 -0.410 51.1-108.3 -59.7 144.9 5.2 17.4 -16.3 43 45 A S G >4 S+ 0 0 22 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.861 119.9 48.0 -47.5 -48.7 1.7 15.9 -16.7 44 46 A V G 34 S+ 0 0 4 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.602 112.0 52.3 -72.2 -11.8 1.8 15.8 -20.5 45 47 A H G <> S+ 0 0 0 -3,-1.9 4,-3.0 1,-0.1 -1,-0.3 0.486 83.9 93.8 -94.6 -8.4 5.2 14.1 -20.3 46 48 A Y H S+ 0 0 43 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.936 116.2 46.7 -59.3 -49.6 3.3 8.7 -20.5 48 50 A H H > S+ 0 0 41 -4,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.927 116.3 45.4 -55.1 -49.9 6.6 9.3 -22.4 49 51 A T H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.904 112.0 50.4 -64.0 -45.7 8.6 9.3 -19.1 50 52 A R H < S+ 0 0 61 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.895 111.1 48.8 -62.1 -42.0 6.9 6.2 -17.7 51 53 A K H < S+ 0 0 142 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.821 116.1 43.2 -67.8 -32.5 7.5 4.2 -20.9 52 54 A L H < S+ 0 0 60 -4,-1.5 2,-0.2 -5,-0.2 -2,-0.2 0.866 99.8 79.1 -83.3 -39.7 11.2 5.2 -21.1 53 55 A L S < S- 0 0 7 -4,-2.7 -30,-0.1 -5,-0.2 2,-0.1 -0.524 86.8-116.7 -72.1 133.4 12.0 4.8 -17.4 54 56 A Q > - 0 0 100 -32,-0.3 3,-2.2 -2,-0.2 -1,-0.1 -0.373 32.0-108.7 -64.1 150.1 12.7 1.2 -16.1 55 57 A S T 3 S+ 0 0 110 1,-0.3 -1,-0.1 -4,-0.1 4,-0.1 0.598 111.4 79.0 -68.5 -12.6 10.1 0.2 -13.5 56 58 A K T 3 S+ 0 0 30 2,-0.1 2,-0.6 -30,-0.1 -19,-0.5 0.821 86.0 75.2 -57.4 -31.9 12.7 0.3 -10.7 57 59 A F S < S- 0 0 0 -3,-2.2 -19,-0.2 -21,-0.1 2,-0.2 -0.771 82.0-146.5 -82.7 118.1 12.0 4.1 -10.9 58 60 A S E -c 38 0A 16 -21,-2.8 -19,-2.6 -2,-0.6 2,-0.3 -0.491 16.9-152.0 -74.9 155.5 8.6 5.0 -9.4 59 61 A T E +c 39 0A 2 -21,-0.3 29,-1.3 -2,-0.2 28,-1.0 -0.933 20.5 157.9-133.0 155.2 6.7 7.8 -11.1 60 62 A G E -d 88 0A 0 -21,-2.0 2,-0.3 -2,-0.3 29,-0.2 -0.913 35.1 -95.6-156.3-176.1 4.2 10.5 -10.1 61 63 A I E -d 89 0A 5 27,-2.1 29,-1.9 -2,-0.3 -19,-0.1 -0.853 24.2-128.0-115.1 154.5 2.6 13.9 -11.0 62 64 A Q S S+ 0 0 7 -21,-0.5 2,-0.3 -2,-0.3 31,-0.3 0.501 89.3 12.2 -79.2 -8.3 3.5 17.3 -9.6 63 65 A N - 0 0 23 258,-0.1 2,-0.3 28,-0.1 28,-0.1 -0.969 61.3-160.4-163.3 154.9 -0.0 18.2 -8.6 64 66 A V - 0 0 2 -2,-0.3 13,-0.2 26,-0.2 2,-0.1 -0.977 31.1 -98.2-141.5 152.2 -3.5 16.6 -8.1 65 67 A S - 0 0 0 11,-2.8 13,-0.3 -2,-0.3 48,-0.1 -0.373 11.9-145.7 -69.8 146.5 -7.0 18.0 -8.0 66 68 A K S S+ 0 0 49 11,-0.1 2,-0.2 -2,-0.1 -1,-0.1 0.568 86.5 68.5 -82.3 -11.6 -8.8 18.6 -4.7 67 69 A F S S- 0 0 39 1,-0.2 11,-0.5 5,-0.1 -2,-0.1 -0.615 81.6-126.0-100.3 163.4 -12.0 17.6 -6.5 68 70 A G - 0 0 29 1,-0.3 -1,-0.2 -2,-0.2 190,-0.1 -0.024 58.9 -44.4 -83.3-162.3 -13.1 14.2 -7.9 69 71 A N S S+ 0 0 70 2,-0.1 2,-0.3 7,-0.0 -1,-0.3 -0.358 96.2 69.8 -62.0 147.9 -14.1 13.5 -11.5 70 72 A G B S-J 258 0C 15 188,-2.3 2,-2.0 186,-0.2 188,-1.9 -0.974 91.3 -5.9 144.2-152.6 -16.5 16.1 -13.0 71 73 A S S S+ 0 0 43 -2,-0.3 2,-0.2 186,-0.2 186,-0.1 -0.486 80.6 121.2 -84.0 73.6 -16.8 19.6 -14.3 72 74 A Y > - 0 0 53 -2,-2.0 3,-2.1 3,-0.1 -1,-0.1 -0.618 52.5-151.5-136.0 71.8 -13.3 20.9 -13.3 73 75 A T T 3 S+ 0 0 0 1,-0.3 3,-0.1 -2,-0.2 -2,-0.1 -0.157 77.8 14.9 -50.3 128.8 -11.6 22.0 -16.5 74 76 A G T 3 S+ 0 0 24 1,-0.3 -1,-0.3 236,-0.1 2,-0.2 0.238 100.2 116.9 93.0 -11.3 -7.8 21.7 -16.4 75 77 A E < - 0 0 9 -3,-2.1 2,-0.5 234,-0.1 -1,-0.3 -0.559 54.5-146.0 -94.2 153.3 -7.7 19.4 -13.4 76 78 A V - 0 0 14 -2,-0.2 -11,-2.8 -3,-0.1 2,-0.1 -0.974 23.1-144.3-115.6 114.1 -6.4 15.8 -13.0 77 79 A S > - 0 0 0 -2,-0.5 4,-2.1 -13,-0.2 -9,-0.1 -0.373 20.2-119.7 -75.9 155.5 -8.4 13.9 -10.4 78 80 A A H > S+ 0 0 0 -11,-0.5 4,-2.3 -13,-0.3 5,-0.1 0.828 116.0 56.8 -57.8 -34.6 -6.9 11.3 -8.0 79 81 A E H > S+ 0 0 47 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.873 106.3 48.1 -68.1 -37.3 -9.3 8.7 -9.6 80 82 A I H > S+ 0 0 2 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.906 111.8 50.5 -65.8 -42.9 -7.8 9.4 -13.1 81 83 A A H <>S+ 0 0 0 -4,-2.1 5,-2.9 1,-0.2 -2,-0.2 0.901 109.4 50.8 -60.0 -43.9 -4.3 9.1 -11.7 82 84 A K H ><5S+ 0 0 101 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.899 107.6 53.3 -60.3 -43.6 -5.2 5.8 -10.0 83 85 A D H 3<5S+ 0 0 57 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.801 110.8 46.4 -61.7 -33.1 -6.6 4.5 -13.4 84 86 A L T 3<5S- 0 0 27 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.372 116.0-116.4 -89.3 2.8 -3.3 5.3 -15.1 85 87 A N T < 5 + 0 0 136 -3,-1.3 2,-0.6 1,-0.2 -3,-0.2 0.743 52.1 168.3 62.6 26.7 -1.3 3.7 -12.3 86 88 A I < - 0 0 1 -5,-2.9 -1,-0.2 -6,-0.2 -26,-0.2 -0.633 15.8-167.6 -68.7 113.6 0.2 7.1 -11.3 87 89 A E + 0 0 66 -28,-1.0 33,-2.5 -2,-0.6 2,-0.3 0.862 55.8 35.5 -80.7 -39.6 1.8 6.0 -8.0 88 90 A Y E -de 60 120A 4 -29,-1.3 -27,-2.1 31,-0.2 2,-0.3 -0.813 54.7-167.4-121.7 154.4 2.7 9.4 -6.4 89 91 A V E -de 61 121A 0 31,-1.6 33,-3.5 -2,-0.3 2,-0.5 -0.992 18.4-136.1-133.8 145.9 1.5 12.9 -6.2 90 92 A I E - e 0 122A 0 -29,-1.9 2,-0.4 -2,-0.3 -26,-0.2 -0.877 26.4-172.5 -95.6 131.9 3.2 16.1 -5.0 91 93 A I E + e 0 123A 0 31,-2.9 33,-2.8 -2,-0.5 -28,-0.1 -0.995 58.4 5.4-128.8 131.5 1.0 18.3 -2.8 92 94 A G + 0 0 1 -2,-0.4 -1,-0.1 1,-0.2 31,-0.1 0.715 68.8 175.7 77.8 24.8 1.6 21.7 -1.4 93 95 A H >> - 0 0 7 -31,-0.3 4,-1.8 1,-0.1 3,-1.4 -0.358 42.3-116.7 -57.0 141.3 4.9 22.5 -3.1 94 96 A F H 3> S+ 0 0 27 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.765 113.4 61.0 -57.6 -27.9 5.8 26.1 -2.2 95 97 A E H 3> S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 5,-0.4 0.810 107.4 44.1 -69.6 -31.1 5.5 27.2 -5.8 96 98 A R H <> S+ 0 0 12 -3,-1.4 6,-1.8 2,-0.2 4,-0.9 0.819 113.3 51.0 -80.6 -33.8 1.9 26.2 -5.9 97 99 A R H < S+ 0 0 39 -4,-1.8 -2,-0.2 4,-0.2 4,-0.2 0.821 120.8 36.5 -66.4 -33.2 1.3 27.8 -2.5 98 100 A K H < S+ 0 0 114 -4,-1.9 3,-0.3 -5,-0.2 -2,-0.2 0.954 126.2 30.0 -85.9 -58.9 2.9 31.0 -3.9 99 101 A Y H < S+ 0 0 68 -4,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.828 132.8 30.9 -75.4 -33.2 1.9 31.4 -7.5 100 102 A F S < S- 0 0 48 -4,-0.9 -1,-0.2 -5,-0.4 -3,-0.1 0.157 101.9-122.4-118.2 16.8 -1.5 29.7 -7.4 101 103 A H + 0 0 136 -3,-0.3 -4,-0.2 1,-0.2 2,-0.2 0.744 41.0 179.6 52.4 34.6 -2.5 30.6 -3.8 102 104 A E - 0 0 17 -6,-1.8 -1,-0.2 -8,-0.1 2,-0.1 -0.505 12.1-154.3 -68.2 131.2 -2.9 27.0 -2.7 103 105 A T > - 0 0 68 -2,-0.2 4,-2.2 1,-0.1 5,-0.1 -0.459 31.8 -99.9-103.2 172.1 -3.9 26.9 1.0 104 106 A D H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.848 126.2 54.9 -56.3 -37.3 -3.6 24.4 3.9 105 107 A E H > S+ 0 0 50 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.872 106.3 49.7 -64.3 -40.9 -7.3 23.5 3.1 106 108 A D H > S+ 0 0 24 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.904 111.0 50.3 -62.3 -43.5 -6.4 22.8 -0.5 107 109 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.900 110.8 49.2 -61.0 -44.6 -3.5 20.6 0.7 108 110 A R H X S+ 0 0 78 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.934 113.3 45.5 -60.5 -48.8 -5.8 18.7 3.1 109 111 A E H X S+ 0 0 81 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.842 112.1 51.8 -66.8 -35.8 -8.5 18.1 0.4 110 112 A K H X S+ 0 0 5 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.892 111.8 47.3 -65.6 -40.8 -5.8 17.0 -2.1 111 113 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.893 110.8 50.7 -67.5 -41.9 -4.4 14.6 0.4 112 114 A Q H X S+ 0 0 105 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.925 113.2 46.1 -60.6 -45.7 -7.9 13.2 1.3 113 115 A A H X S+ 0 0 14 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.921 113.4 49.6 -61.7 -47.0 -8.7 12.6 -2.4 114 116 A S H <>S+ 0 0 0 -4,-2.2 5,-2.8 1,-0.2 3,-0.3 0.926 113.3 44.2 -59.9 -49.5 -5.3 11.0 -3.1 115 117 A L H ><5S+ 0 0 25 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.876 108.1 58.3 -66.7 -38.8 -5.5 8.6 -0.1 116 118 A K H 3<5S+ 0 0 157 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.825 109.9 45.7 -56.3 -34.1 -9.1 7.7 -0.9 117 119 A N T 3<5S- 0 0 13 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.120 120.8-110.4 -98.4 18.8 -7.8 6.6 -4.4 118 120 A N T < 5 + 0 0 127 -3,-1.9 -3,-0.2 1,-0.2 2,-0.2 0.759 68.0 147.0 57.6 31.3 -4.8 4.7 -2.9 119 121 A L < - 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