==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-MAR-01 1I80 . COMPND 2 MOLECULE: PURINE NUCLEOSIDE PHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR W.SHI,L.A.BASSO,P.C.TYLER,R.H.FURNEAUX,J.S.BLANCHARD, . 791 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28913.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 555 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 107 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 7.6 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 . 3 0.4 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 . 70 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 201 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 3 0 0 0 0 5 7 0 1 4 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 4 2 0 3 0 0 3 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 3 3 3 0 0 3 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 0 3 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 D 0 0 134 0, 0.0 4,-0.0 0, 0.0 589,-0.0 0.000 360.0 360.0 360.0 -54.2 -0.5 32.7 -18.8 2 4 A P - 0 0 90 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.308 360.0-109.7 -58.7 136.0 1.0 29.5 -17.2 3 5 A R S S+ 0 0 237 2,-0.1 2,-0.2 3,-0.0 0, 0.0 -0.963 97.9 36.5-118.1 129.2 0.0 26.3 -19.0 4 6 A P S S- 0 0 55 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.535 91.5-132.5 -70.8 170.8 -1.9 24.3 -18.0 5 7 A D > - 0 0 72 -2,-0.2 4,-2.4 1,-0.1 5,-0.3 -0.849 6.3-139.8 -96.9 121.8 -4.4 26.6 -16.2 6 8 A P H > S+ 0 0 32 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.872 99.8 41.9 -44.2 -53.8 -5.2 25.6 -12.6 7 9 A D H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.848 112.7 52.4 -68.5 -37.1 -9.0 26.4 -12.8 8 10 A E H > S+ 0 0 71 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.930 111.8 47.2 -64.1 -43.5 -9.5 25.0 -16.3 9 11 A L H X S+ 0 0 8 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.867 110.3 53.1 -65.6 -37.3 -7.9 21.7 -15.3 10 12 A A H X S+ 0 0 4 -4,-1.7 4,-1.7 -5,-0.3 -1,-0.2 0.875 110.4 46.8 -66.9 -38.7 -10.1 21.6 -12.1 11 13 A R H X S+ 0 0 144 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.881 112.1 50.1 -71.1 -38.1 -13.3 22.1 -14.1 12 14 A R H X S+ 0 0 115 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.899 111.1 49.0 -67.3 -39.9 -12.3 19.5 -16.6 13 15 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.878 108.5 54.7 -65.5 -36.6 -11.5 17.0 -13.8 14 16 A A H X S+ 0 0 9 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.906 107.2 50.1 -62.3 -42.5 -14.9 17.8 -12.2 15 17 A Q H X S+ 0 0 111 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.926 110.6 48.7 -61.9 -47.2 -16.6 16.9 -15.5 16 18 A V H X S+ 0 0 40 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.940 112.5 49.7 -58.0 -46.4 -14.8 13.6 -15.7 17 19 A I H X S+ 0 0 2 -4,-2.7 4,-2.1 1,-0.2 6,-0.4 0.897 108.8 51.9 -59.5 -43.2 -15.7 12.9 -12.1 18 20 A A H X S+ 0 0 21 -4,-2.6 4,-1.2 1,-0.2 5,-0.5 0.913 113.7 43.7 -61.6 -44.0 -19.4 13.8 -12.7 19 21 A D H < S+ 0 0 110 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.927 114.6 48.0 -67.7 -46.7 -19.6 11.4 -15.6 20 22 A R H < S+ 0 0 113 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.807 119.9 37.4 -66.3 -32.1 -17.7 8.5 -14.0 21 23 A T H < S- 0 0 13 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.624 99.2-132.7 -94.3 -15.6 -19.7 8.6 -10.7 22 24 A G < + 0 0 64 -4,-1.2 2,-0.5 -5,-0.3 -3,-0.2 0.595 69.2 122.1 73.8 9.8 -23.0 9.4 -12.4 23 25 A I - 0 0 30 -5,-0.5 -1,-0.2 -6,-0.4 -2,-0.2 -0.929 57.8-149.8-110.2 120.3 -23.4 12.2 -9.8 24 26 A G S S- 0 0 64 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.847 78.1 -2.8 -53.7 -41.2 -23.9 15.7 -11.0 25 27 A E - 0 0 130 -7,-0.1 2,-0.3 84,-0.1 84,-0.2 -0.995 61.7-139.5-154.3 150.1 -22.3 17.3 -7.9 26 28 A H - 0 0 2 82,-2.2 54,-0.2 -2,-0.3 3,-0.1 -0.758 5.9-153.1-108.5 158.8 -20.8 16.3 -4.6 27 29 A D S S+ 0 0 69 52,-2.6 84,-1.2 -2,-0.3 85,-0.6 0.755 72.5 20.4-101.5 -31.4 -21.2 18.2 -1.3 28 30 A V E -ab 80 112A 1 51,-1.3 53,-2.9 82,-0.2 2,-0.4 -0.975 59.7-152.6-141.9 151.8 -18.1 17.4 0.7 29 31 A A E -ab 81 113A 1 83,-2.1 85,-3.3 -2,-0.3 2,-0.5 -0.986 4.7-161.3-129.8 138.6 -14.6 16.3 0.0 30 32 A V E -ab 82 114A 0 51,-3.3 53,-3.4 -2,-0.4 2,-0.6 -0.979 2.7-161.4-120.7 126.0 -12.2 14.4 2.3 31 33 A V E -ab 83 115A 5 83,-2.4 85,-2.0 -2,-0.5 2,-0.4 -0.937 21.8-138.5-106.8 115.2 -8.5 14.2 1.8 32 34 A L - 0 0 4 51,-2.3 53,-0.4 -2,-0.6 3,-0.1 -0.588 11.6-135.4 -81.4 130.1 -7.0 11.3 3.7 33 35 A G > - 0 0 4 -2,-0.4 3,-1.4 1,-0.1 84,-0.2 -0.194 37.5 -78.6 -74.6 168.9 -3.7 11.7 5.6 34 36 A S T 3 S+ 0 0 49 1,-0.3 -1,-0.1 2,-0.2 83,-0.0 -0.465 122.3 24.6 -67.9 139.2 -0.9 9.2 5.5 35 37 A G T 3 S+ 0 0 11 -2,-0.1 -1,-0.3 -3,-0.1 217,-0.1 0.083 102.9 90.9 91.6 -23.0 -1.6 6.3 7.8 36 38 A W X + 0 0 2 -3,-1.4 3,-2.0 1,-0.2 4,-0.3 0.423 52.9 101.8 -83.7 -0.3 -5.3 7.0 7.4 37 39 A L G > S+ 0 0 105 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.903 75.4 54.7 -54.2 -46.9 -5.6 4.7 4.4 38 40 A P G 3 S+ 0 0 74 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 0.502 97.2 69.7 -68.8 3.4 -7.2 1.8 6.4 39 41 A A G <> S+ 0 0 1 -3,-2.0 4,-0.8 1,-0.1 3,-0.3 0.550 72.5 88.1 -94.0 -10.0 -9.9 4.2 7.6 40 42 A V H X> S+ 0 0 22 -3,-1.8 3,-1.7 -4,-0.3 4,-0.6 0.926 84.6 53.2 -53.7 -50.8 -11.5 4.5 4.2 41 43 A A H >4 S+ 0 0 85 -4,-0.3 3,-1.1 1,-0.3 -1,-0.2 0.857 102.1 59.8 -54.6 -38.1 -13.8 1.6 4.7 42 44 A A H 34 S+ 0 0 36 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.2 0.732 93.3 67.9 -64.0 -22.6 -15.1 3.0 7.9 43 45 A L H << S- 0 0 6 -3,-1.7 -1,-0.2 -4,-0.8 2,-0.2 0.802 116.6 -86.1 -68.1 -30.2 -16.3 6.1 6.0 44 46 A G << - 0 0 24 -3,-1.1 -1,-0.3 -4,-0.6 31,-0.1 -0.765 54.2 -50.4 143.2 171.4 -19.0 4.1 4.3 45 47 A S - 0 0 103 -2,-0.2 2,-0.2 29,-0.2 -4,-0.0 -0.662 57.5-129.2 -79.9 122.3 -19.7 1.9 1.2 46 48 A P - 0 0 56 0, 0.0 27,-0.2 0, 0.0 3,-0.1 -0.463 15.8-164.2 -72.6 139.6 -18.4 3.6 -2.0 47 49 A T S S+ 0 0 79 25,-2.9 2,-0.3 1,-0.3 26,-0.1 0.682 82.7 19.3 -92.2 -22.4 -20.8 3.8 -4.9 48 50 A T E -C 72 0A 28 24,-1.2 24,-2.6 2,-0.0 2,-0.4 -0.993 61.0-175.5-150.0 140.5 -17.9 4.5 -7.2 49 51 A V E +C 71 0A 68 -2,-0.3 22,-0.2 22,-0.2 20,-0.0 -0.998 14.3 172.5-136.1 128.7 -14.1 4.0 -7.1 50 52 A L E -C 70 0A 0 20,-2.0 20,-2.2 -2,-0.4 2,-0.1 -0.999 37.0-102.8-143.0 143.8 -11.7 5.3 -9.8 51 53 A P E > -C 69 0A 39 0, 0.0 3,-1.5 0, 0.0 18,-0.3 -0.392 22.0-140.3 -62.5 134.4 -8.0 5.6 -10.2 52 54 A Q G > S+ 0 0 6 16,-2.2 3,-1.8 1,-0.3 6,-0.3 0.793 102.6 68.7 -64.9 -24.8 -6.7 9.1 -9.7 53 55 A A G 3 S+ 0 0 60 15,-0.5 -1,-0.3 1,-0.3 6,-0.1 0.724 92.5 58.8 -65.8 -20.8 -4.4 8.4 -12.6 54 56 A E G < S+ 0 0 105 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.241 92.4 84.0 -93.1 13.6 -7.5 8.4 -14.8 55 57 A L S X S- 0 0 6 -3,-1.8 3,-1.3 -5,-0.1 4,-0.4 -0.957 87.0-110.1-117.4 132.7 -8.4 12.0 -13.8 56 58 A P T 3 S+ 0 0 28 0, 0.0 -43,-0.1 0, 0.0 -2,-0.1 -0.310 96.4 13.3 -62.4 140.3 -6.9 15.0 -15.5 57 59 A G T 3 S+ 0 0 15 2,-0.2 43,-0.1 -4,-0.1 -4,-0.1 0.266 97.2 100.0 83.2 -11.4 -4.4 17.1 -13.5 58 60 A F S < S+ 0 0 8 -3,-1.3 -5,-0.1 -6,-0.3 42,-0.1 0.865 78.5 44.7 -76.9 -36.4 -3.9 14.6 -10.7 59 61 A V S S- 0 0 52 -4,-0.4 -2,-0.2 -7,-0.2 -1,-0.1 -0.931 79.6-126.8-117.8 128.6 -0.6 13.1 -11.7 60 62 A P - 0 0 9 0, 0.0 -2,-0.0 0, 0.0 33,-0.0 -0.350 23.3-125.1 -65.6 149.6 2.5 14.9 -13.0 61 63 A P S S+ 0 0 107 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.944 97.5 40.6 -61.1 -54.0 3.9 13.6 -16.3 62 64 A T S S+ 0 0 119 2,-0.1 -3,-0.0 -3,-0.0 0, 0.0 0.958 109.2 47.0 -60.6 -93.5 7.5 12.8 -15.3 63 65 A A S S+ 0 0 47 1,-0.1 2,-0.2 28,-0.1 28,-0.0 -0.245 76.8 139.5 -53.9 135.4 7.6 11.2 -11.9 64 66 A A + 0 0 90 -5,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.699 21.8 146.9-152.4-155.3 5.0 8.5 -11.5 65 67 A G S S- 0 0 74 -2,-0.2 2,-0.1 2,-0.0 -1,-0.0 -0.646 79.8 -36.3 147.5 -81.2 4.4 5.0 -10.2 66 68 A H - 0 0 173 -2,-0.2 -2,-0.0 -14,-0.0 0, 0.0 -0.552 54.3-150.3-178.4 106.7 0.7 4.7 -9.1 67 69 A A - 0 0 36 -2,-0.1 -14,-0.1 1,-0.1 18,-0.1 -0.020 28.1-103.1 -70.6-179.3 -1.5 7.3 -7.6 68 70 A G - 0 0 21 1,-0.1 -16,-2.2 -17,-0.1 -15,-0.5 0.350 39.0 -92.0 -84.3-141.5 -4.4 6.5 -5.2 69 71 A E E -CD 51 84A 94 15,-2.3 15,-2.0 -18,-0.3 2,-0.4 -0.871 14.8-136.4-135.6 167.1 -8.1 6.5 -5.9 70 72 A L E -CD 50 83A 3 -20,-2.2 -20,-2.0 -2,-0.3 2,-0.3 -0.999 25.8-163.3-125.7 125.7 -11.1 8.9 -5.6 71 73 A L E -CD 49 82A 7 11,-2.8 11,-2.8 -2,-0.4 2,-0.6 -0.862 16.9-143.8-115.1 149.0 -14.2 7.4 -4.1 72 74 A S E +CD 48 81A 0 -24,-2.6 -25,-2.9 -2,-0.3 -24,-1.2 -0.957 31.8 176.7-108.0 115.6 -17.8 8.6 -4.2 73 75 A V E - D 0 80A 2 7,-3.0 7,-2.9 -2,-0.6 2,-0.5 -0.974 29.0-135.3-128.2 129.8 -19.3 7.8 -0.9 74 76 A P E + D 0 79A 54 0, 0.0 2,-0.4 0, 0.0 5,-0.2 -0.697 27.2 176.0 -82.9 127.2 -22.8 8.6 0.5 75 77 A I E > - D 0 78A 9 3,-2.5 3,-2.1 -2,-0.5 2,-0.2 -0.935 61.5 -47.5-131.9 108.8 -22.5 9.9 4.1 76 78 A G T 3 S- 0 0 62 -2,-0.4 188,-0.1 1,-0.3 189,-0.1 -0.473 122.8 -23.4 65.9-135.0 -25.8 11.0 5.6 77 79 A A T 3 S+ 0 0 97 187,-0.3 2,-0.3 -2,-0.2 -1,-0.3 0.275 122.5 99.4 -90.9 12.1 -27.6 13.2 3.1 78 80 A H E < - D 0 75A 31 -3,-2.1 -3,-2.5 -51,-0.0 2,-0.7 -0.731 66.2-143.4-106.4 150.5 -24.2 14.0 1.5 79 81 A R E - D 0 74A 99 -2,-0.3 -52,-2.6 -5,-0.2 -51,-1.3 -0.948 34.5-161.3-106.0 111.4 -22.4 12.8 -1.6 80 82 A V E -aD 28 73A 0 -7,-2.9 -7,-3.0 -2,-0.7 2,-0.6 -0.848 18.2-146.5-109.2 133.1 -18.8 12.8 -0.5 81 83 A L E -aD 29 72A 2 -53,-2.9 -51,-3.3 -2,-0.4 2,-0.6 -0.816 19.5-164.2 -91.5 123.4 -15.6 12.7 -2.6 82 84 A V E -aD 30 71A 0 -11,-2.8 -11,-2.8 -2,-0.6 2,-0.9 -0.950 7.4-156.2-115.1 119.9 -12.9 10.8 -0.8 83 85 A L E -aD 31 70A 4 -53,-3.4 -51,-2.3 -2,-0.6 2,-1.1 -0.832 8.3-173.1 -97.8 102.4 -9.3 11.2 -1.9 84 86 A A E + D 0 69A 9 -15,-2.0 -15,-2.3 -2,-0.9 -32,-0.2 -0.808 67.9 18.4 -96.2 93.3 -7.4 8.1 -0.8 85 87 A G + 0 0 22 -2,-1.1 2,-0.3 -53,-0.4 -53,-0.1 -0.081 68.5 178.9 117.9 140.8 -3.8 9.1 -1.8 86 88 A R - 0 0 32 -2,-0.1 2,-0.4 -55,-0.1 12,-0.1 -0.951 27.5-108.1-160.0 172.7 -2.3 12.5 -2.5 87 89 A I - 0 0 22 10,-0.3 2,-0.3 -2,-0.3 -2,-0.0 -0.931 26.9-152.8-116.0 140.8 0.9 14.2 -3.4 88 90 A H > - 0 0 19 -2,-0.4 3,-1.9 1,-0.1 5,-0.5 -0.737 29.4-110.3-107.6 160.0 2.9 16.3 -0.9 89 91 A A G > S+ 0 0 19 116,-0.3 3,-2.4 1,-0.3 4,-0.1 0.845 112.9 67.7 -57.0 -35.9 5.3 19.2 -1.7 90 92 A Y G 3 S+ 0 0 31 115,-0.3 322,-2.3 92,-0.3 -1,-0.3 0.666 82.1 74.8 -61.9 -14.8 8.3 17.1 -0.6 91 93 A E G < S- 0 0 59 -3,-1.9 -1,-0.3 320,-0.2 -2,-0.2 0.629 112.0-117.8 -71.7 -10.1 7.7 14.9 -3.6 92 94 A G < + 0 0 58 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.475 69.4 126.7 91.1 2.8 9.2 17.7 -5.7 93 95 A H S S- 0 0 27 -5,-0.5 -1,-0.3 1,-0.1 -2,-0.1 -0.547 70.5 -81.6 -93.8 161.4 6.3 18.7 -7.9 94 96 A D >> - 0 0 99 -2,-0.2 3,-1.8 1,-0.2 4,-0.7 -0.212 41.1-116.9 -54.5 145.1 4.6 22.1 -8.4 95 97 A L H 3> S+ 0 0 8 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.705 108.1 82.3 -60.4 -16.8 2.1 22.9 -5.6 96 98 A R H 3> S+ 0 0 40 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.890 93.1 46.7 -53.9 -39.3 -0.5 22.9 -8.4 97 99 A Y H <4 S+ 0 0 28 -3,-1.8 -10,-0.3 2,-0.2 -1,-0.3 0.802 107.5 57.3 -73.5 -29.5 -0.6 19.1 -8.0 98 100 A V H < S+ 0 0 9 -4,-0.7 4,-0.2 -3,-0.2 -2,-0.2 0.925 118.9 28.9 -67.1 -43.5 -0.8 19.4 -4.2 99 101 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 3,-0.3 0.467 92.9 94.7 -98.5 -2.3 -3.9 21.5 -4.2 100 102 A H H X S+ 0 0 4 -4,-1.1 4,-3.6 -5,-0.3 5,-0.3 0.889 81.2 58.0 -57.5 -41.2 -5.5 20.2 -7.5 101 103 A P H > S+ 0 0 13 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.930 108.8 45.8 -56.1 -42.8 -7.7 17.7 -5.6 102 104 A V H > S+ 0 0 2 -3,-0.3 4,-2.3 -4,-0.2 -2,-0.2 0.921 115.6 45.7 -64.7 -44.7 -9.2 20.5 -3.5 103 105 A R H X S+ 0 0 32 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.900 113.2 49.5 -66.3 -39.8 -9.8 22.7 -6.6 104 106 A A H X S+ 0 0 0 -4,-3.6 4,-1.3 -5,-0.2 -2,-0.2 0.923 111.1 50.7 -64.6 -42.0 -11.2 19.7 -8.6 105 107 A A H <>S+ 0 0 3 -4,-2.5 5,-2.3 -5,-0.3 -79,-0.2 0.902 110.5 48.5 -62.2 -42.6 -13.5 18.9 -5.6 106 108 A R H ><5S+ 0 0 82 -4,-2.3 3,-2.4 1,-0.2 -1,-0.2 0.932 109.5 51.7 -63.8 -44.9 -14.8 22.5 -5.4 107 109 A A H 3<5S+ 0 0 38 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.788 105.7 57.7 -61.6 -25.0 -15.4 22.6 -9.2 108 110 A A T 3<5S- 0 0 7 -4,-1.3 -82,-2.2 -5,-0.2 -1,-0.3 0.395 132.6 -93.6 -84.7 1.7 -17.3 19.4 -8.6 109 111 A G T < 5S+ 0 0 13 -3,-2.4 2,-0.5 1,-0.3 -3,-0.2 0.219 77.0 142.6 108.3 -13.2 -19.6 21.3 -6.1 110 112 A A < + 0 0 0 -5,-2.3 -1,-0.3 1,-0.2 -82,-0.2 -0.463 18.5 173.4 -68.1 116.7 -17.9 20.6 -2.8 111 113 A Q + 0 0 116 -84,-1.2 109,-2.9 -2,-0.5 2,-0.4 0.365 66.8 60.4-102.6 3.6 -18.1 23.7 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87.1 87.6 82.9 5.2 27.3 48.0 17.7 501 239 B E S S- 0 0 128 1,-0.0 -4,-0.5 3,-0.0 -1,-0.4 -0.909 88.8 -90.2-131.5 158.8 29.4 48.1 14.6 502 240 B P - 0 0 80 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.264 50.8 -92.0 -68.6 156.9 28.9 46.6 11.1 503 241 B L - 0 0 17 1,-0.1 2,-0.6 -10,-0.0 177,-0.1 -0.402 40.4-136.4 -66.8 146.7 30.2 43.1 10.3 504 242 B S > - 0 0 30 1,-0.2 4,-2.7 -3,-0.1 5,-0.2 -0.929 17.4-166.4-116.1 116.0 33.7 43.1 8.8 505 243 B H H > S+ 0 0 90 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.899 96.5 53.4 -58.7 -42.8 34.6 40.9 5.8 506 244 B A H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.919 111.8 43.4 -59.4 -47.3 38.3 41.7 6.5 507 245 B E H > S+ 0 0 134 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.864 111.5 53.6 -69.2 -36.9 38.0 40.6 10.1 508 246 B V H X S+ 0 0 12 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.937 114.2 42.4 -62.2 -45.8 35.9 37.5 9.3 509 247 B L H X S+ 0 0 100 -4,-2.4 4,-1.8 1,-0.2 5,-0.2 0.896 112.7 53.4 -66.8 -41.0 38.6 36.4 6.8 510 248 B A H X S+ 0 0 57 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.907 106.2 54.7 -60.8 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-45.7 43.4 21.5 11.8 521 259 B A H X S+ 0 0 53 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.908 111.6 50.8 -60.5 -42.7 45.4 20.3 14.8 522 260 B L H X S+ 0 0 27 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.953 110.4 48.2 -59.1 -52.2 42.1 20.0 16.8 523 261 B L H X S+ 0 0 3 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.914 109.9 52.7 -56.1 -46.5 40.4 18.0 14.0 524 262 B A H X S+ 0 0 21 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.886 110.2 47.3 -58.0 -41.6 43.3 15.6 13.7 525 263 B D H X S+ 0 0 71 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.865 114.9 45.5 -70.7 -35.8 43.3 14.8 17.4 526 264 B V H >< S+ 0 0 5 -4,-2.1 3,-1.3 2,-0.2 4,-0.4 0.947 113.3 48.4 -71.2 -50.4 39.6 14.2 17.6 527 265 B I H >< S+ 0 0 1 -4,-2.9 3,-2.7 1,-0.3 -2,-0.2 0.930 103.8 61.3 -55.3 -46.7 39.4 12.1 14.4 528 266 B A H 3< S+ 0 0 46 -4,-2.0 -187,-0.3 -5,-0.3 -1,-0.3 0.772 101.6 55.2 -52.2 -26.6 42.3 10.0 15.7 529 267 B R T << 0 0 100 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.537 360.0 360.0 -85.3 -8.8 40.1 9.1 18.6 530 268 B F < 0 0 48 -3,-2.7 -1,-0.2 -4,-0.4 -2,-0.2 0.842 360.0 360.0 -66.9 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