==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 09-APR-13 4BI7 . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GIARDIA INTESTINALIS; . AUTHOR A.TORRES-LARIOS,S.ENRIQUEZ-FLORES,H.REYES-VIVAS,J.ORIA-HERNA . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11415.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 18 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 3 1 1 0 0 0 0 0 3 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 0 3 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 P 0 0 120 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.0 30.4 -23.1 -21.0 2 3 A A - 0 0 86 205,-0.0 2,-0.3 1,-0.0 204,-0.0 -0.516 360.0-124.9-119.9 176.6 26.9 -22.7 -19.6 3 4 A R - 0 0 40 -2,-0.2 205,-0.1 252,-0.1 204,-0.1 -0.850 28.4-108.2-119.9 145.0 24.1 -20.4 -18.7 4 5 A R - 0 0 112 -2,-0.3 32,-0.1 203,-0.2 252,-0.1 -0.637 50.1-116.1 -63.6 122.9 22.1 -19.5 -15.6 5 6 A P - 0 0 4 0, 0.0 32,-2.7 0, 0.0 2,-0.4 -0.231 31.8-155.9 -62.9 154.1 18.7 -21.0 -16.3 6 7 A F E -ab 37 232A 0 225,-1.8 227,-1.1 30,-0.2 2,-0.4 -0.997 15.3-177.6-138.8 128.6 15.8 -18.5 -16.7 7 8 A I E -ab 38 233A 0 30,-2.8 32,-2.4 -2,-0.4 2,-0.4 -0.992 8.1-175.2-128.2 127.1 12.1 -18.9 -16.2 8 9 A G E -ab 39 234A 2 225,-2.7 227,-3.4 -2,-0.4 2,-0.6 -0.950 13.8-152.3-120.0 140.1 9.6 -16.1 -16.9 9 10 A G E -ab 40 235A 1 30,-2.9 32,-3.5 -2,-0.4 2,-0.8 -0.935 7.2-163.1-112.7 112.6 5.9 -16.0 -16.3 10 11 A N E -a 41 0A 6 225,-2.9 229,-0.2 -2,-0.6 230,-0.1 -0.825 5.5-172.0 -95.0 108.9 4.0 -13.7 -18.5 11 12 A F - 0 0 0 30,-1.8 -1,-0.1 -2,-0.8 32,-0.1 0.646 21.7-169.5 -72.8 -14.9 0.5 -13.1 -17.0 12 13 A K - 0 0 39 29,-0.5 2,-1.7 1,-0.2 -1,-0.2 -0.194 61.1 -19.4 52.3-145.1 -0.6 -11.2 -20.2 13 14 A C S S+ 0 0 115 29,-0.1 2,-0.3 30,-0.1 -1,-0.2 -0.475 111.1 108.2 -92.4 67.7 -3.9 -9.4 -19.8 14 15 A N + 0 0 80 -2,-1.7 29,-0.5 -3,-0.1 2,-0.1 -0.987 39.6 62.5-140.2 150.1 -5.1 -11.4 -16.8 15 16 A G - 0 0 40 -2,-0.3 2,-0.3 27,-0.1 3,-0.1 -0.270 45.1-134.8 121.1 155.2 -5.6 -10.8 -13.1 16 17 A S > - 0 0 61 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.821 43.0 -98.1-129.9 168.8 -7.5 -8.9 -10.5 17 18 A L H > S+ 0 0 90 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.931 125.3 48.7 -56.7 -45.8 -6.0 -7.2 -7.4 18 19 A D H > S+ 0 0 120 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 111.8 49.4 -63.3 -40.6 -7.0 -10.2 -5.3 19 20 A F H > S+ 0 0 60 2,-0.2 4,-3.3 1,-0.2 5,-0.4 0.924 110.2 50.0 -64.4 -43.5 -5.6 -12.7 -7.7 20 21 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.4 0.943 112.3 48.1 -60.9 -44.6 -2.3 -10.9 -8.0 21 22 A K H X S+ 0 0 115 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.945 118.0 40.1 -59.2 -48.1 -2.0 -10.8 -4.2 22 23 A S H X S+ 0 0 73 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.892 118.9 44.4 -72.1 -41.8 -2.8 -14.4 -3.7 23 24 A H H X S+ 0 0 12 -4,-3.3 4,-2.4 2,-0.2 5,-0.2 0.900 113.2 49.0 -74.1 -40.3 -0.8 -15.8 -6.7 24 25 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.4 5,-0.2 0.924 111.6 51.3 -65.0 -39.2 2.3 -13.7 -6.1 25 26 A A H X S+ 0 0 48 -4,-1.8 4,-1.5 -5,-0.4 -2,-0.2 0.915 109.2 51.4 -60.0 -42.3 2.2 -14.8 -2.4 26 27 A A H X S+ 0 0 42 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.910 112.9 43.9 -61.8 -43.3 1.9 -18.5 -3.6 27 28 A I H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.927 111.9 53.2 -67.7 -42.0 4.9 -18.1 -5.9 28 29 A A H 3< S+ 0 0 12 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.778 103.4 58.6 -64.7 -25.1 6.9 -16.3 -3.2 29 30 A A H 3< S+ 0 0 86 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.638 87.3 96.4 -78.1 -16.3 6.2 -19.1 -0.7 30 31 A H S << S- 0 0 44 -3,-1.3 2,-1.2 -4,-0.5 -3,-0.0 -0.458 89.7-109.6 -73.1 145.6 7.8 -21.6 -3.0 31 32 A K - 0 0 188 -2,-0.1 -1,-0.1 25,-0.0 -2,-0.1 -0.665 40.8-170.6 -77.3 99.7 11.5 -22.4 -2.3 32 33 A I - 0 0 7 -2,-1.2 25,-0.1 -4,-0.2 27,-0.0 -0.826 16.9-131.1 -94.3 124.2 13.2 -20.8 -5.3 33 34 A P > - 0 0 34 0, 0.0 3,-0.9 0, 0.0 -1,-0.0 -0.316 11.1-126.1 -74.1 159.7 16.9 -21.6 -5.6 34 35 A D T 3 S+ 0 0 119 1,-0.2 -2,-0.0 3,-0.1 0, 0.0 0.559 102.8 72.2 -76.3 -7.8 19.6 -19.0 -6.0 35 36 A S T 3 S+ 0 0 43 2,-0.0 2,-0.4 -31,-0.0 -1,-0.2 0.502 93.0 56.5 -89.5 -6.6 20.8 -20.9 -9.1 36 37 A V S < S- 0 0 4 -3,-0.9 2,-0.5 -32,-0.1 -30,-0.2 -0.974 76.6-128.6-130.0 140.1 17.9 -20.0 -11.4 37 38 A D E -a 6 0A 32 -32,-2.7 -30,-2.8 -2,-0.4 2,-0.5 -0.769 27.6-173.5 -86.0 127.2 16.4 -16.6 -12.5 38 39 A V E +a 7 0A 3 -2,-0.5 22,-2.1 20,-0.4 2,-0.4 -0.985 8.2 170.4-125.8 123.1 12.6 -16.5 -11.9 39 40 A V E -ac 8 60A 3 -32,-2.4 -30,-2.9 -2,-0.5 2,-0.4 -0.988 15.5-163.2-136.3 136.6 10.6 -13.5 -13.1 40 41 A I E -ac 9 61A 0 20,-2.4 22,-3.0 -2,-0.4 -30,-0.2 -0.956 7.3-154.0-121.6 143.5 6.9 -12.8 -13.4 41 42 A A E -a 10 0A 2 -32,-3.5 -30,-1.8 -2,-0.4 -29,-0.5 -0.830 14.3-174.8-121.6 91.8 5.3 -10.1 -15.5 42 43 A P - 0 0 0 0, 0.0 22,-0.4 0, 0.0 5,-0.1 -0.327 43.0 -78.9 -71.3 166.4 1.9 -8.9 -14.3 43 44 A S > - 0 0 29 -29,-0.5 3,-2.0 -31,-0.2 4,-0.4 -0.293 49.6-105.4 -62.9 153.0 -0.1 -6.4 -16.2 44 45 A A G > S+ 0 0 57 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.845 118.8 55.8 -55.1 -40.9 1.1 -2.8 -15.8 45 46 A V G 3 S+ 0 0 116 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.685 110.0 48.7 -67.6 -15.7 -1.8 -1.7 -13.5 46 47 A H G <> S+ 0 0 19 -3,-2.0 4,-2.6 1,-0.1 -1,-0.3 0.397 80.6 97.9-101.3 -0.3 -0.9 -4.6 -11.2 47 48 A L H <> S+ 0 0 5 -3,-1.4 4,-2.4 -4,-0.4 5,-0.2 0.925 85.4 45.4 -59.7 -47.3 2.9 -4.0 -10.9 48 49 A S H > S+ 0 0 73 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.881 113.3 51.0 -66.2 -34.1 2.9 -2.1 -7.6 49 50 A T H > S+ 0 0 27 -4,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.907 111.7 47.9 -65.9 -41.6 0.5 -4.6 -6.1 50 51 A A H X S+ 0 0 0 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.894 109.6 52.3 -66.5 -39.6 2.7 -7.5 -7.2 51 52 A I H < S+ 0 0 61 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.922 110.6 48.2 -62.5 -43.5 5.8 -5.7 -5.8 52 53 A A H < S+ 0 0 84 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.842 113.4 47.7 -65.7 -33.2 4.1 -5.3 -2.4 53 54 A A H < S+ 0 0 20 -4,-1.8 2,-1.2 -5,-0.1 -1,-0.2 0.667 88.7 97.6 -80.9 -16.8 3.0 -8.9 -2.4 54 55 A N < + 0 0 33 -4,-1.2 -29,-0.1 -3,-0.4 -1,-0.1 -0.592 35.4 159.8 -83.4 97.3 6.5 -10.2 -3.3 55 56 A T + 0 0 112 -2,-1.2 -1,-0.2 -31,-0.2 2,-0.1 0.440 39.9 114.2 -92.8 -0.5 8.2 -11.3 -0.1 56 57 A S - 0 0 16 1,-0.1 -27,-0.1 -3,-0.1 -28,-0.1 -0.414 58.5-152.1 -71.9 144.6 10.7 -13.5 -2.0 57 58 A K S S+ 0 0 187 -29,-0.2 -1,-0.1 -2,-0.1 -29,-0.0 0.475 98.8 36.1 -88.0 -5.4 14.4 -12.7 -2.0 58 59 A Q S S+ 0 0 64 -30,-0.1 -20,-0.4 -21,-0.0 -1,-0.1 0.763 93.1 89.3-112.2 -45.3 14.7 -14.5 -5.4 59 60 A L - 0 0 2 -31,-0.1 2,-0.4 -22,-0.1 -20,-0.2 -0.306 58.8-160.3 -60.2 135.3 11.5 -13.8 -7.4 60 61 A R E -c 39 0A 93 -22,-2.1 -20,-2.4 28,-0.0 2,-0.4 -0.940 12.1-133.3-119.8 145.6 11.6 -10.7 -9.5 61 62 A I E -c 40 0A 5 -2,-0.4 29,-0.6 -22,-0.2 28,-0.6 -0.781 27.3-174.4 -93.1 136.6 8.7 -8.7 -11.0 62 63 A A E -d 90 0A 0 -22,-3.0 2,-0.3 -2,-0.4 29,-0.2 -0.842 21.7-117.6-125.7 162.5 9.0 -7.7 -14.7 63 64 A A E -d 91 0A 3 27,-1.9 29,-2.6 -2,-0.3 -20,-0.1 -0.712 11.9-139.8 -97.8 156.4 6.9 -5.5 -17.1 64 65 A Q S S- 0 0 48 -22,-0.4 2,-0.3 -2,-0.3 31,-0.3 0.580 80.6 -2.8 -87.6 -12.1 5.2 -6.9 -20.2 65 66 A N - 0 0 31 28,-0.1 2,-0.3 29,-0.1 -1,-0.2 -0.968 56.6-167.4-170.1 158.1 6.0 -3.9 -22.5 66 67 A V - 0 0 0 -2,-0.3 13,-0.2 26,-0.1 2,-0.1 -0.968 26.8-111.6-154.2 157.7 7.7 -0.5 -22.5 67 68 A Y - 0 0 61 11,-2.9 13,-0.3 -2,-0.3 -2,-0.0 -0.358 20.1-122.8 -89.8 171.7 7.8 2.3 -24.9 68 69 A L S S+ 0 0 33 -2,-0.1 2,-0.3 11,-0.1 11,-0.1 0.301 88.2 67.1-101.3 12.4 10.7 3.5 -27.0 69 70 A E S S- 0 0 81 9,-0.2 11,-0.4 1,-0.1 -2,-0.2 -0.867 80.7-117.6-120.9 160.5 10.7 7.1 -25.7 70 71 A G - 0 0 13 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.047 66.1 -41.2 -74.3-166.3 11.5 8.6 -22.3 71 72 A N S S+ 0 0 105 2,-0.1 2,-0.3 8,-0.0 -1,-0.2 -0.315 94.7 90.6 -59.5 144.2 8.9 10.4 -20.2 72 73 A G S S- 0 0 58 -3,-0.1 2,-2.1 2,-0.1 7,-0.0 -0.990 84.0 -19.2 160.1-157.3 6.9 12.8 -22.3 73 74 A A S S+ 0 0 93 -2,-0.3 2,-0.3 1,-0.1 -2,-0.1 -0.461 79.1 125.2 -87.4 70.8 3.7 13.2 -24.3 74 75 A W > - 0 0 94 -2,-2.1 3,-2.4 3,-0.1 -1,-0.1 -0.672 49.2-153.5-128.4 73.2 3.0 9.5 -25.0 75 76 A T T 3 S+ 0 0 150 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 -0.206 79.1 13.2 -54.2 130.2 -0.5 8.9 -23.7 76 77 A G T 3 S+ 0 0 76 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.363 105.2 112.0 87.2 -6.2 -1.1 5.3 -22.7 77 78 A E < - 0 0 66 -3,-2.4 2,-0.4 -11,-0.0 -1,-0.3 -0.694 55.8-142.4-107.2 157.0 2.6 4.4 -22.7 78 79 A T - 0 0 41 -2,-0.3 -11,-2.9 -3,-0.1 2,-0.2 -0.925 16.6-142.9-113.5 138.7 5.1 3.5 -20.0 79 80 A S > - 0 0 5 -2,-0.4 4,-1.6 -13,-0.2 3,-0.2 -0.608 23.4-118.5 -97.6 160.4 8.8 4.6 -20.0 80 81 A V H > S+ 0 0 0 -11,-0.4 4,-2.7 -13,-0.3 5,-0.2 0.895 116.4 60.8 -57.0 -40.6 11.9 2.8 -18.9 81 82 A E H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.888 102.5 50.3 -55.2 -42.9 12.3 5.5 -16.3 82 83 A M H > S+ 0 0 90 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.904 110.7 48.8 -62.6 -41.9 9.0 4.7 -14.8 83 84 A L H <>S+ 0 0 3 -4,-1.6 5,-2.3 1,-0.2 3,-0.3 0.915 112.4 47.3 -67.0 -41.9 9.9 1.0 -14.5 84 85 A Q H ><5S+ 0 0 73 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.872 106.3 58.2 -68.2 -35.1 13.3 1.7 -12.9 85 86 A D H 3<5S+ 0 0 143 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.824 105.3 51.5 -61.3 -29.8 11.7 4.2 -10.5 86 87 A M T 3<5S- 0 0 72 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.499 124.1-108.1 -84.9 -3.3 9.5 1.2 -9.3 87 88 A G T < 5 + 0 0 47 -3,-1.4 -3,-0.2 1,-0.3 2,-0.2 0.556 66.3 151.0 90.2 11.8 12.6 -0.9 -8.9 88 89 A L < + 0 0 10 -5,-2.3 -1,-0.3 -6,-0.2 -26,-0.1 -0.519 25.6 179.3 -81.5 145.4 12.1 -3.2 -11.9 89 90 A K + 0 0 81 -28,-0.6 33,-3.4 -2,-0.2 2,-0.3 0.606 61.9 62.6-111.0 -25.1 15.1 -4.8 -13.7 90 91 A H E +de 62 122A 6 -29,-0.6 -27,-1.9 31,-0.2 2,-0.3 -0.819 50.3 173.2-116.3 146.5 13.3 -6.9 -16.3 91 92 A V E -de 63 123A 0 31,-2.0 33,-2.8 -2,-0.3 2,-0.4 -0.993 27.4-130.6-147.9 140.9 11.0 -6.2 -19.3 92 93 A I E - e 0 124A 3 -29,-2.6 2,-0.4 -2,-0.3 33,-0.2 -0.763 30.1-174.4 -84.9 130.3 9.5 -8.2 -22.1 93 94 A V E + e 0 125A 0 31,-2.8 33,-2.6 -2,-0.4 -28,-0.1 -0.991 58.1 11.8-128.3 137.9 10.0 -6.7 -25.5 94 95 A G S S- 0 0 1 -2,-0.4 -1,-0.1 31,-0.2 5,-0.1 0.733 70.3-179.1 77.4 25.3 8.6 -7.8 -28.9 95 96 A H >> - 0 0 7 -31,-0.3 4,-2.2 1,-0.1 3,-0.9 -0.266 37.8-118.2 -55.1 143.9 6.1 -10.3 -27.7 96 97 A S H 3> S+ 0 0 4 1,-0.3 4,-3.0 2,-0.2 5,-0.5 0.763 113.0 61.9 -61.5 -24.3 4.4 -11.9 -30.7 97 98 A E H 3>>S+ 0 0 52 2,-0.2 4,-1.5 1,-0.2 5,-1.3 0.907 109.2 42.3 -66.2 -36.8 1.0 -10.6 -29.6 98 99 A R H <45S+ 0 0 68 -3,-0.9 6,-2.8 3,-0.2 -2,-0.2 0.886 119.2 44.3 -76.2 -37.5 2.4 -7.1 -29.9 99 100 A R H <5S+ 0 0 15 -4,-2.2 4,-0.4 4,-0.2 -2,-0.2 0.947 126.0 27.7 -67.8 -49.0 4.1 -7.9 -33.2 100 101 A R H <5S+ 0 0 92 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.774 132.8 28.2 -93.4 -29.1 1.4 -9.8 -34.9 101 102 A I T <5S+ 0 0 127 -4,-1.5 -3,-0.2 -5,-0.5 -2,-0.1 0.800 128.2 36.2-100.8 -37.5 -1.8 -8.4 -33.4 102 103 A M S - 0 0 64 -2,-0.5 4,-2.7 1,-0.1 5,-0.3 -0.303 17.9-110.5 -80.5 163.1 7.4 -3.6 -36.2 106 107 A D H > S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.895 121.6 48.9 -56.6 -41.0 10.8 -5.3 -36.0 107 108 A E H > S+ 0 0 92 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.882 109.2 51.5 -67.8 -39.8 12.4 -1.9 -35.8 108 109 A Q H > S+ 0 0 80 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.935 110.6 48.1 -63.1 -45.8 10.1 -0.7 -33.0 109 110 A S H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.913 112.2 50.5 -59.4 -42.5 10.8 -3.8 -30.9 110 111 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.910 110.1 48.9 -63.0 -42.1 14.5 -3.3 -31.5 111 112 A K H X S+ 0 0 85 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.880 110.2 50.9 -67.6 -38.5 14.4 0.4 -30.4 112 113 A K H X S+ 0 0 10 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.934 112.6 47.4 -59.8 -48.5 12.4 -0.5 -27.3 113 114 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.930 110.6 50.7 -59.6 -48.0 15.0 -3.1 -26.4 114 115 A K H X S+ 0 0 63 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.932 110.5 49.3 -58.1 -45.7 18.0 -0.9 -27.0 115 116 A R H X S+ 0 0 45 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.940 113.6 45.8 -62.0 -45.3 16.6 1.9 -24.9 116 117 A A H <>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 4,-0.4 0.912 114.1 48.3 -62.7 -43.7 15.9 -0.5 -22.0 117 118 A L H ><5S+ 0 0 11 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.890 107.4 55.0 -64.6 -40.4 19.3 -2.1 -22.3 118 119 A E H 3<5S+ 0 0 120 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.815 106.9 52.0 -64.0 -29.9 21.1 1.2 -22.4 119 120 A K T 3<5S- 0 0 80 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.494 127.8 -98.0 -86.4 -3.6 19.4 2.1 -19.1 120 121 A G T < 5S+ 0 0 55 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.524 75.7 137.5 105.0 8.7 20.5 -1.1 -17.5 121 122 A M < - 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