==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 14-OCT-03 1R6D . COMPND 2 MOLECULE: TDP-GLUCOSE-4,6-DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES VENEZUELAE; . AUTHOR S.T.M.ALLARD,W.W.CLELAND,H.M.HOLDEN . 322 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13141.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 23 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 31.7 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 3 0 0 1 0 3 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 4 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 92 0, 0.0 31,-2.4 0, 0.0 30,-0.8 0.000 360.0 360.0 360.0 108.4 4.7 -1.6 16.1 2 2 A R E -a 32 0A 80 74,-0.3 76,-2.2 29,-0.2 77,-1.4 -0.886 360.0-177.2-108.2 124.3 7.4 -0.9 18.5 3 3 A L E -ab 33 79A 2 29,-3.0 31,-2.9 -2,-0.6 2,-0.5 -0.947 13.7-157.3-121.1 139.6 10.3 1.2 17.4 4 4 A L E -ab 34 80A 1 75,-2.8 77,-2.3 -2,-0.4 2,-0.6 -0.970 8.3-167.0-117.3 127.1 13.5 2.1 19.2 5 5 A V E > -ab 35 81A 0 29,-3.1 31,-2.7 -2,-0.5 3,-0.8 -0.944 8.0-153.7-113.5 114.5 15.4 5.2 18.1 6 6 A T E 3 S+ab 36 82A 0 75,-2.3 77,-1.6 -2,-0.6 31,-0.2 -0.627 80.3 20.0 -84.9 152.4 18.8 5.7 19.4 7 7 A G T > S+ 0 0 8 29,-2.9 3,-1.8 -2,-0.2 6,-0.4 0.723 77.8 149.5 67.3 21.2 20.2 9.2 19.6 8 8 A G T < + 0 0 0 -3,-0.8 9,-0.1 28,-0.5 29,-0.1 0.474 63.5 58.8 -68.3 -3.9 16.7 10.6 19.5 9 9 A A T 3 S+ 0 0 0 27,-0.2 35,-2.6 4,-0.1 -1,-0.3 0.301 93.5 87.5-106.3 9.2 17.5 13.6 21.6 10 10 A G S <> S- 0 0 14 -3,-1.8 4,-1.5 33,-0.2 5,-0.3 -0.188 97.2 -83.1 -90.9-170.7 20.1 14.8 19.1 11 11 A F H > S+ 0 0 29 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.993 121.3 23.0 -60.4 -68.9 19.7 17.0 16.1 12 12 A I H > S+ 0 0 38 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.908 122.0 55.4 -68.4 -42.5 18.6 14.6 13.3 13 13 A G H > S+ 0 0 2 -6,-0.4 4,-2.7 1,-0.2 -5,-0.2 0.877 106.5 50.9 -59.4 -41.0 17.1 11.9 15.6 14 14 A S H X S+ 0 0 0 -4,-1.5 4,-2.9 -7,-0.3 -1,-0.2 0.882 110.0 50.3 -65.7 -36.6 14.8 14.4 17.4 15 15 A H H X S+ 0 0 14 -4,-1.3 4,-2.8 -5,-0.3 5,-0.3 0.944 110.0 50.7 -65.1 -46.0 13.5 15.6 14.0 16 16 A F H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.949 113.2 45.8 -57.0 -45.2 12.9 12.0 13.0 17 17 A V H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.940 112.9 49.2 -64.1 -43.5 11.0 11.4 16.2 18 18 A R H X S+ 0 0 26 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.926 114.1 45.7 -61.0 -43.8 9.0 14.6 16.0 19 19 A Q H X>S+ 0 0 53 -4,-2.8 5,-2.8 -5,-0.2 4,-0.6 0.897 113.0 50.2 -67.0 -41.3 8.0 13.9 12.4 20 20 A L H ><5S+ 0 0 6 -4,-2.5 3,-1.6 -5,-0.3 5,-0.3 0.956 112.5 45.2 -61.0 -51.5 7.2 10.4 13.1 21 21 A L H 3<5S+ 0 0 10 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.819 109.5 57.7 -63.4 -29.8 5.0 11.2 16.1 22 22 A A H 3<5S- 0 0 80 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.612 119.8-110.9 -74.7 -11.2 3.4 14.0 14.0 23 23 A G T <<5S+ 0 0 50 -3,-1.6 -3,-0.2 -4,-0.6 -2,-0.1 0.669 73.9 136.3 90.7 19.1 2.4 11.4 11.4 24 24 A A S + 0 0 16 -6,-0.4 3,-2.6 -5,-0.3 -1,-0.2 -0.652 60.8 170.8-124.0 74.1 5.5 8.8 7.8 26 26 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.810 78.1 58.7 -49.4 -34.6 2.2 7.0 7.3 27 27 A D T 3 S+ 0 0 128 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.484 92.3 76.4 -78.4 -2.9 4.0 3.8 6.2 28 28 A V S < S- 0 0 12 -3,-2.6 2,-0.4 -8,-0.1 -3,-0.2 -0.863 76.7-151.0-113.6 96.0 5.9 3.6 9.4 29 29 A P + 0 0 60 0, 0.0 2,-0.3 0, 0.0 3,-0.2 -0.481 20.7 174.2 -67.5 121.9 3.6 2.2 12.0 30 30 A A + 0 0 12 -2,-0.4 3,-0.2 1,-0.1 -28,-0.1 -0.615 20.9 148.1-134.3 80.1 4.7 3.6 15.3 31 31 A D S S+ 0 0 97 -30,-0.8 2,-0.4 1,-0.3 -29,-0.2 0.815 81.6 30.7 -79.0 -30.8 2.3 2.7 18.1 32 32 A E E -a 2 0A 89 -31,-2.4 -29,-3.0 -3,-0.2 2,-0.4 -0.990 69.3-176.3-134.0 124.8 5.2 2.6 20.5 33 33 A V E -ac 3 57A 1 23,-2.8 25,-2.8 -2,-0.4 2,-0.5 -0.986 2.6-171.5-123.4 119.3 8.3 4.7 20.2 34 34 A I E -ac 4 58A 5 -31,-2.9 -29,-3.1 -2,-0.4 2,-0.5 -0.951 8.0-158.0-110.9 130.9 11.3 4.4 22.6 35 35 A V E -ac 5 59A 0 23,-3.0 25,-3.5 -2,-0.5 2,-0.5 -0.954 4.3-165.6-110.1 129.4 14.0 6.9 22.4 36 36 A L E +ac 6 60A 1 -31,-2.7 -29,-2.9 -2,-0.5 -28,-0.5 -0.962 22.4 153.0-116.2 117.5 17.4 5.8 23.8 37 37 A D E - c 0 61A 12 23,-2.3 25,-1.2 -2,-0.5 26,-0.1 -0.982 39.2-151.8-150.1 133.3 19.9 8.7 24.3 38 38 A S - 0 0 39 -2,-0.3 25,-0.1 23,-0.2 23,-0.1 0.496 39.9-127.0 -83.1 -4.2 22.8 9.1 26.7 39 39 A L + 0 0 38 23,-0.2 24,-0.0 3,-0.0 6,-0.0 0.974 41.6 172.8 57.2 57.9 22.5 12.9 26.8 40 40 A T > - 0 0 57 1,-0.1 3,-1.2 4,-0.0 46,-0.0 -0.043 60.9 -70.9 -76.9-169.4 26.0 13.8 25.9 41 41 A Y T 3 S+ 0 0 68 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.744 141.0 48.8 -56.9 -21.1 26.9 17.5 25.3 42 42 A A T 3 S+ 0 0 29 145,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.587 90.9 89.1 -95.9 -16.2 24.9 17.0 22.1 43 43 A G < - 0 0 16 -3,-1.2 2,-0.4 -33,-0.1 -33,-0.2 -0.701 55.3-176.8 -85.9 139.9 21.7 15.4 23.5 44 44 A N > - 0 0 34 -35,-2.6 3,-2.1 -2,-0.3 4,-0.4 -0.943 28.8-155.7-145.3 117.8 19.0 17.8 24.6 45 45 A R G > S+ 0 0 145 -2,-0.4 3,-1.7 1,-0.3 4,-0.3 0.795 95.8 68.5 -58.4 -28.3 15.7 17.0 26.2 46 46 A A G > S+ 0 0 42 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.750 86.3 68.2 -63.1 -22.7 14.4 20.3 24.9 47 47 A N G < S+ 0 0 2 -3,-2.1 -1,-0.3 -38,-0.3 -2,-0.2 0.714 107.5 38.6 -66.7 -19.6 14.6 18.8 21.4 48 48 A L G X> S+ 0 0 5 -3,-1.7 3,-2.1 -4,-0.4 4,-0.8 0.327 83.8 107.7-109.8 5.4 11.8 16.5 22.4 49 49 A A G X4 S+ 0 0 59 -3,-1.0 3,-1.0 -4,-0.3 4,-0.4 0.875 73.6 59.5 -52.9 -38.6 9.8 19.0 24.4 50 50 A P G 34 S+ 0 0 83 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.757 116.0 32.9 -63.7 -20.8 7.1 19.2 21.8 51 51 A V G X4 S+ 0 0 19 -3,-2.1 3,-2.0 1,-0.1 6,-0.2 0.252 84.1 114.3-115.0 3.8 6.4 15.5 22.0 52 52 A D T << S+ 0 0 124 -3,-1.0 7,-0.1 -4,-0.8 -3,-0.1 0.808 80.0 42.3 -40.6 -50.7 7.1 15.1 25.7 53 53 A A T 3 S+ 0 0 95 -4,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 0.375 80.1 126.5 -85.7 2.3 3.5 14.2 26.7 54 54 A D X - 0 0 36 -3,-2.0 3,-2.3 1,-0.2 -3,-0.1 -0.483 57.0-145.2 -65.6 118.5 2.8 11.9 23.8 55 55 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.718 96.7 62.0 -60.2 -19.2 1.6 8.7 25.3 56 56 A R T 3 S+ 0 0 91 -24,-0.1 -23,-2.8 -35,-0.1 2,-0.5 0.608 90.3 87.7 -81.9 -8.5 3.3 6.8 22.5 57 57 A L E < -c 33 0A 25 -3,-2.3 2,-0.5 -6,-0.2 -23,-0.2 -0.814 49.0-177.9-100.8 131.3 6.8 8.0 23.5 58 58 A R E -c 34 0A 112 -25,-2.8 -23,-3.0 -2,-0.5 2,-0.5 -0.988 13.7-155.6-122.2 119.7 9.1 6.5 26.0 59 59 A F E -c 35 0A 59 -2,-0.5 2,-0.6 -25,-0.2 -23,-0.2 -0.833 6.3-167.3 -99.9 123.4 12.3 8.3 26.7 60 60 A V E -c 36 0A 13 -25,-3.5 -23,-2.3 -2,-0.5 2,-1.1 -0.943 11.9-153.0-114.4 109.4 15.2 6.2 28.0 61 61 A H E +c 37 0A 109 -2,-0.6 2,-0.3 -25,-0.2 -23,-0.2 -0.744 57.6 102.7 -81.2 100.8 18.2 8.2 29.4 62 62 A G - 0 0 13 -25,-1.2 2,-0.3 -2,-1.1 -23,-0.2 -0.974 65.7 -89.9-171.0 176.0 20.9 5.5 28.7 63 63 A D > - 0 0 60 -2,-0.3 3,-1.6 -25,-0.1 7,-0.2 -0.780 13.5-138.6-111.8 144.9 23.7 4.3 26.5 64 64 A I T 3 S+ 0 0 8 -2,-0.3 -1,-0.1 1,-0.3 6,-0.0 0.672 106.9 63.0 -67.6 -16.3 24.0 2.2 23.4 65 65 A R T 3 S+ 0 0 122 44,-0.1 2,-1.2 1,-0.1 -1,-0.3 0.550 79.6 97.2 -83.8 -8.0 27.1 0.6 25.0 66 66 A D <> - 0 0 79 -3,-1.6 4,-2.5 1,-0.2 5,-0.2 -0.672 51.2-178.2 -87.8 91.9 24.9 -0.7 27.9 67 67 A A H > S+ 0 0 50 -2,-1.2 4,-2.8 1,-0.2 5,-0.2 0.869 79.4 53.1 -59.4 -37.8 24.2 -4.3 26.9 68 68 A G H > S+ 0 0 42 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.916 109.8 47.0 -66.3 -43.9 22.1 -5.0 29.9 69 69 A L H >> S+ 0 0 21 1,-0.2 4,-3.4 2,-0.2 3,-1.1 0.959 113.8 48.7 -61.7 -48.1 19.9 -2.1 29.3 70 70 A L H 3X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.3 -2,-0.2 0.906 102.5 60.6 -58.0 -45.1 19.5 -3.0 25.7 71 71 A A H 3< S+ 0 0 48 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.775 115.3 36.6 -56.4 -23.7 18.7 -6.6 26.4 72 72 A R H X< S+ 0 0 139 -3,-1.1 3,-1.8 -4,-0.8 -2,-0.2 0.891 117.1 48.4 -93.0 -51.2 15.7 -5.4 28.3 73 73 A E H 3< S+ 0 0 26 -4,-3.4 -2,-0.2 1,-0.3 -3,-0.2 0.719 106.4 58.1 -63.8 -20.8 14.7 -2.4 26.2 74 74 A L T >< S+ 0 0 0 -4,-2.9 3,-2.4 -5,-0.3 -1,-0.3 0.528 73.3 127.6 -88.9 -0.6 14.8 -4.3 23.0 75 75 A R T < S- 0 0 163 -3,-1.8 3,-0.1 1,-0.3 43,-0.1 -0.396 88.5 -5.0 -59.8 122.6 12.3 -6.9 24.0 76 76 A G T 3 S+ 0 0 55 41,-0.5 2,-0.4 1,-0.3 -74,-0.3 0.610 93.7 150.2 69.1 14.0 9.6 -7.1 21.4 77 77 A V < - 0 0 3 -3,-2.4 43,-0.6 40,-0.2 -1,-0.3 -0.663 31.4-165.2 -80.2 131.0 11.1 -4.2 19.4 78 78 A D + 0 0 72 -76,-2.2 43,-1.6 -2,-0.4 2,-0.3 0.795 66.1 8.0 -83.6 -30.9 10.3 -4.6 15.7 79 79 A A E -bd 3 121A 3 -77,-1.4 -75,-2.8 41,-0.2 2,-0.4 -0.999 55.9-149.6-155.3 152.3 12.8 -2.1 14.5 80 80 A I E -bd 4 122A 0 41,-2.3 43,-2.5 -2,-0.3 2,-0.5 -0.978 1.6-163.1-122.0 135.6 15.6 0.2 15.4 81 81 A V E -bd 5 123A 0 -77,-2.3 -75,-2.3 -2,-0.4 2,-0.8 -0.984 21.6-155.4-112.0 113.5 16.6 3.6 13.8 82 82 A H E +bd 6 124A 0 41,-2.8 43,-1.7 -2,-0.5 -75,-0.1 -0.797 40.0 139.5-103.5 102.9 20.2 4.2 14.9 83 83 A F + 0 0 24 -77,-1.6 -76,-0.2 -2,-0.8 -1,-0.2 0.540 33.6 121.5-109.5 -16.2 21.3 7.8 15.1 84 84 A A + 0 0 16 -48,-0.1 2,-0.3 22,-0.1 -77,-0.1 -0.329 39.6 116.4 -55.3 128.3 23.3 7.7 18.3 85 85 A A S S- 0 0 33 -2,-0.1 2,-0.6 -78,-0.1 14,-0.1 -0.952 73.4 -94.2-176.5 164.0 27.0 8.8 17.6 86 86 A E - 0 0 15 -2,-0.3 17,-0.0 13,-0.2 -2,-0.0 -0.848 49.1-178.0 -86.3 119.2 29.7 11.3 18.3 87 87 A S + 0 0 42 -2,-0.6 2,-0.7 1,-0.0 -1,-0.1 0.489 38.9 95.1-109.6 -1.4 29.1 13.5 15.2 88 88 A H > - 0 0 18 1,-0.2 4,-2.0 102,-0.0 3,-0.2 -0.799 51.5-158.0-104.4 120.4 31.7 16.3 15.0 89 89 A V H > S+ 0 0 9 -2,-0.7 4,-1.8 1,-0.2 62,-0.2 0.896 94.7 55.7 -53.8 -43.3 34.9 16.0 13.0 90 90 A D H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.921 107.9 47.2 -58.3 -45.0 36.7 18.7 15.0 91 91 A R H > S+ 0 0 102 -3,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.882 109.0 56.8 -62.8 -35.9 36.0 16.9 18.3 92 92 A S H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.814 107.8 46.7 -66.0 -29.9 37.3 13.7 16.6 93 93 A I H < S+ 0 0 51 -4,-1.8 3,-0.4 -3,-0.2 -1,-0.2 0.909 116.1 45.0 -77.0 -38.3 40.6 15.3 15.7 94 94 A A H < S+ 0 0 96 -4,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.867 136.2 7.3 -71.2 -39.3 41.0 16.7 19.3 95 95 A G < + 0 0 41 -4,-2.9 4,-0.3 -5,-0.2 3,-0.3 -0.758 69.9 174.4-147.3 92.3 40.0 13.5 21.1 96 96 A A >> + 0 0 42 -3,-0.4 3,-1.4 -2,-0.3 4,-1.2 0.779 61.3 77.3 -73.1 -31.6 39.5 10.6 18.8 97 97 A S H >> S+ 0 0 79 1,-0.3 4,-2.4 2,-0.2 3,-0.6 0.888 87.1 58.5 -51.3 -45.1 38.9 7.7 21.2 98 98 A V H 3> S+ 0 0 50 -3,-0.3 4,-3.3 1,-0.3 5,-0.5 0.763 99.8 61.1 -57.7 -25.9 35.3 8.5 22.0 99 99 A F H <>>S+ 0 0 0 -3,-1.4 4,-1.9 -4,-0.3 5,-0.8 0.916 107.7 41.4 -69.5 -43.4 34.5 8.2 18.4 100 100 A T H S+ 0 0 83 -4,-1.2 5,-2.5 -3,-0.6 4,-1.2 0.930 116.6 51.3 -69.8 -41.5 35.6 4.6 18.2 101 101 A E H <>S+ 0 0 79 -4,-2.4 5,-1.4 3,-0.2 -2,-0.2 0.954 122.4 27.9 -60.2 -51.5 33.9 3.9 21.5 102 102 A T H <5S+ 0 0 26 -4,-3.3 5,-0.3 3,-0.2 -3,-0.2 0.943 128.9 38.7 -76.5 -45.3 30.6 5.3 20.7 103 103 A N H <5S+ 0 0 1 -4,-1.9 4,-0.5 -5,-0.5 -3,-0.2 0.916 129.9 20.2 -74.5 -48.4 30.5 4.8 17.0 104 104 A V T X S+ 0 0 1 -4,-0.5 4,-3.7 -5,-0.3 5,-0.3 0.923 110.8 50.6 -65.3 -44.4 27.1 0.0 17.1 108 108 A Q H X S+ 0 0 61 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.941 111.8 47.5 -60.2 -45.4 28.5 -3.5 17.7 109 109 A T H X S+ 0 0 13 -4,-2.7 4,-2.6 -5,-0.2 5,-0.3 0.959 113.8 48.5 -60.1 -46.9 26.8 -3.7 21.1 110 110 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.953 113.5 45.3 -58.5 -49.4 23.6 -2.4 19.7 111 111 A L H X S+ 0 0 0 -4,-3.7 4,-2.0 1,-0.2 -1,-0.2 0.873 112.2 50.9 -66.5 -35.3 23.6 -4.8 16.8 112 112 A Q H X S+ 0 0 45 -4,-2.9 4,-2.7 -5,-0.3 -1,-0.2 0.933 111.3 48.3 -67.9 -39.4 24.5 -7.8 18.9 113 113 A C H X S+ 0 0 7 -4,-2.6 4,-1.7 -5,-0.3 -2,-0.2 0.881 108.4 55.9 -66.9 -31.2 21.7 -7.0 21.3 114 114 A A H <>S+ 0 0 0 -4,-2.1 5,-2.4 -5,-0.3 4,-0.4 0.918 108.9 46.6 -63.8 -40.9 19.4 -6.6 18.3 115 115 A V H ><5S+ 0 0 44 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.943 111.7 50.8 -65.3 -44.8 20.3 -10.1 17.3 116 116 A D H 3<5S+ 0 0 117 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.748 113.5 46.4 -64.7 -24.4 19.8 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