==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-NOV-10 3PNO . COMPND 2 MOLECULE: PTS-DEPENDENT DIHYDROXYACETONE KINASE, DIHYDROXYA . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.SHI,L.MCDONALD,A.MATTE,M.CYGLER,I.EKIEL,MONTREAL-KINGSTON . 1350 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46912.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 976 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 132 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 200 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 94 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 364 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 0 0 0 0 4 0 0 4 8 0 4 4 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 0 4 0 4 4 4 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 . 4 12 0 8 0 0 0 8 4 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 . 4 4 0 0 4 4 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 10 A D > 0 0 149 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -33.2 -10.2 -18.3 -16.7 2 11 A V H > + 0 0 101 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.863 360.0 45.1 -57.1 -43.0 -8.6 -14.9 -17.3 3 12 A L H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 115.0 49.7 -63.4 -43.2 -7.5 -14.4 -13.7 4 13 A D H > S+ 0 0 106 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.895 111.3 48.2 -60.1 -46.6 -6.2 -18.0 -13.6 5 14 A E H X S+ 0 0 42 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.883 111.0 52.1 -61.8 -40.3 -4.2 -17.5 -16.9 6 15 A Q H X S+ 0 0 29 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.922 111.9 45.1 -62.7 -44.9 -2.8 -14.2 -15.5 7 16 A L H X S+ 0 0 22 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.874 111.8 51.8 -67.2 -38.5 -1.6 -15.9 -12.3 8 17 A A H X S+ 0 0 26 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.912 109.3 52.0 -62.4 -42.6 -0.2 -18.9 -14.3 9 18 A G H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.900 108.6 50.2 -55.1 -46.1 1.6 -16.2 -16.4 10 19 A L H X S+ 0 0 11 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.947 111.7 47.6 -58.5 -50.5 3.1 -14.7 -13.3 11 20 A A H < S+ 0 0 30 -4,-2.5 6,-0.3 1,-0.2 -2,-0.2 0.874 114.1 47.2 -60.3 -40.8 4.3 -18.1 -12.0 12 21 A K H < S+ 0 0 97 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.901 112.5 48.7 -66.5 -42.8 5.8 -18.9 -15.4 13 22 A A H < S+ 0 0 4 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.771 118.9 41.0 -64.8 -29.2 7.6 -15.5 -15.7 14 23 A H >< + 0 0 38 -4,-1.7 3,-2.3 -5,-0.2 -1,-0.2 -0.758 56.3 177.6-131.1 86.1 8.9 -15.8 -12.1 15 24 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.687 81.4 72.2 -59.4 -18.0 10.3 -19.2 -11.0 16 25 A S T 3 S+ 0 0 71 12,-0.1 13,-3.1 13,-0.1 14,-0.4 0.514 93.3 70.0 -74.2 -4.6 11.3 -17.5 -7.7 17 26 A L E < S-A 28 0A 9 -3,-2.3 2,-0.5 -6,-0.3 11,-0.2 -0.836 72.2-148.3-108.1 152.6 7.5 -17.5 -6.9 18 27 A T E -A 27 0A 54 9,-2.8 9,-2.2 -2,-0.3 2,-0.7 -0.991 5.9-151.1-120.5 122.4 5.2 -20.4 -6.2 19 28 A L E -A 26 0A 59 -2,-0.5 7,-0.2 7,-0.2 2,-0.2 -0.850 17.1-157.1 -90.9 113.3 1.6 -20.3 -7.2 20 29 A H E > -A 25 0A 31 5,-2.9 5,-0.8 -2,-0.7 2,-0.3 -0.593 3.1-150.6 -89.0 153.4 -0.5 -22.5 -4.8 21 30 A Q T 5 + 0 0 161 -2,-0.2 3,-0.2 1,-0.2 -2,-0.0 -0.938 63.2 46.7-123.5 146.7 -3.9 -24.0 -5.7 22 31 A D T 5S+ 0 0 149 -2,-0.3 -1,-0.2 0, 0.0 2,-0.1 0.954 131.8 24.0 55.4 66.7 -6.9 -24.8 -3.6 23 32 A P T 5S- 0 0 27 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.555 106.2-131.2 -91.5 168.0 -6.8 -22.2 -2.2 24 33 A V T 5 + 0 0 41 -3,-0.2 2,-0.3 -2,-0.1 -3,-0.2 -0.649 46.1 129.5 -84.8 125.4 -5.0 -19.8 -4.5 25 34 A Y E < -A 20 0A 14 -5,-0.8 -5,-2.9 -2,-0.4 2,-0.4 -0.945 44.4-123.2-159.7 173.7 -2.2 -17.7 -3.1 26 35 A V E +AB 19 63A 3 37,-2.3 37,-2.3 -2,-0.3 2,-0.3 -0.969 27.8 170.4-127.3 135.3 1.4 -16.8 -4.0 27 36 A T E -AB 18 62A 1 -9,-2.2 -9,-2.8 -2,-0.4 35,-0.2 -0.884 44.9 -82.9-132.1 168.2 4.6 -17.2 -2.0 28 37 A R E > -A 17 0A 27 33,-2.2 3,-2.0 -2,-0.3 -11,-0.3 -0.533 44.4-121.4 -60.6 137.6 8.4 -17.0 -2.4 29 38 A A T 3 S+ 0 0 49 -13,-3.1 -12,-0.1 1,-0.3 -1,-0.1 0.800 113.8 51.9 -52.4 -33.0 9.5 -20.3 -3.8 30 39 A D T 3 S+ 0 0 95 -14,-0.4 -1,-0.3 3,-0.0 -13,-0.1 0.395 91.5 161.9 -90.2 4.9 11.8 -20.7 -0.8 31 40 A A < + 0 0 12 -3,-2.0 53,-0.1 30,-0.1 2,-0.1 -0.453 50.3 54.6 -66.4 140.8 9.0 -20.1 1.8 32 41 A P S S- 0 0 75 0, 0.0 2,-0.9 0, 0.0 53,-0.1 0.432 75.4-168.8 -77.1 137.3 8.9 -20.8 4.6 33 42 A V > - 0 0 42 51,-0.6 3,-1.0 3,-0.1 53,-0.2 -0.855 19.3-139.5 -94.0 107.9 12.2 -18.8 5.2 34 43 A A T 3 S+ 0 0 82 -2,-0.9 53,-0.2 1,-0.2 3,-0.1 -0.321 75.8 29.2 -68.1 147.8 13.3 -19.8 8.6 35 44 A G T 3 S+ 0 0 45 51,-1.9 2,-0.4 1,-0.1 -1,-0.2 0.374 101.0 85.0 91.8 -2.8 14.7 -17.2 11.0 36 45 A K S < S- 0 0 63 -3,-1.0 52,-0.5 50,-0.1 50,-0.4 -0.983 83.2-102.7-132.0 144.1 13.0 -14.1 9.7 37 46 A V - 0 0 7 122,-0.5 2,-0.4 118,-0.4 53,-0.2 -0.389 42.7-132.3 -52.5 131.1 9.6 -12.4 10.4 38 47 A A E -c 90 0A 3 51,-2.4 53,-3.2 43,-0.1 2,-0.4 -0.828 13.7-149.0 -93.3 135.2 7.4 -13.2 7.4 39 48 A L E +c 91 0A 1 -2,-0.4 22,-2.8 20,-0.3 23,-1.3 -0.893 18.0 179.7-104.6 134.1 5.5 -10.3 5.7 40 49 A L E +cd 92 62A 0 51,-2.7 53,-2.8 -2,-0.4 2,-0.2 -0.982 8.0 156.3-133.0 139.4 2.1 -11.0 4.1 41 50 A S E + d 0 63A 0 21,-1.3 23,-1.5 -2,-0.4 2,-0.3 -0.798 3.4 154.4-140.3-167.6 -0.4 -8.8 2.3 42 51 A G E + d 0 64A 1 51,-0.4 53,-0.4 21,-0.3 2,-0.3 -0.917 2.2 154.5 162.6-179.5 -3.1 -9.1 -0.2 43 52 A G E - d 0 65A 2 21,-1.6 23,-2.3 -2,-0.3 28,-0.1 -0.949 54.7 -22.2 159.0-172.2 -6.3 -7.5 -1.5 44 53 A G E - 0 0 6 -2,-0.3 3,-0.4 21,-0.2 24,-0.2 -0.148 63.5-111.4 -58.4 153.7 -8.4 -7.3 -4.7 45 54 A S E S+ d 0 68A 6 22,-1.5 24,-2.8 25,-0.2 25,-0.1 -0.444 92.5 68.0 -72.9 164.5 -6.8 -8.0 -8.1 46 55 A G S S+ 0 0 0 22,-0.2 258,-3.0 -2,-0.1 -1,-0.2 0.388 78.2 83.8 100.4 -1.6 -6.6 -4.9 -10.4 47 56 A N S > S- 0 0 1 -3,-0.4 3,-1.8 3,-0.4 255,-0.8 0.140 78.6-167.9-112.8 16.7 -3.9 -3.0 -8.4 48 57 A E T 3 + 0 0 33 1,-0.4 254,-0.5 253,-0.2 561,-0.3 -0.152 66.8 33.6 -54.8 140.9 -1.0 -4.9 -9.9 49 58 A P T 3> S+ 0 0 10 0, 0.0 4,-2.9 0, 0.0 5,-0.4 -0.989 100.7 114.2 -76.9 -2.6 2.0 -5.0 -9.3 50 59 A M T <4 S- 0 0 4 -3,-1.8 -3,-0.4 1,-0.2 -4,-0.1 -0.629 89.5 -9.8 -70.5 123.2 0.4 -4.7 -5.8 51 60 A H T >4 S+ 0 0 10 -2,-0.4 3,-2.1 -3,-0.1 -1,-0.2 -0.978 132.4 47.2-110.3 -12.8 0.8 -7.2 -4.2 52 61 A C G >4 S+ 0 0 17 1,-0.3 3,-1.1 2,-0.2 -2,-0.2 0.774 106.2 62.7 -64.0 -24.0 2.2 -10.2 -6.1 53 62 A G G 3< S+ 0 0 4 -4,-2.9 279,-2.6 1,-0.2 280,-0.5 0.545 98.4 58.8 -72.6 -7.5 4.9 -8.0 -7.7 54 63 A Y G < S+ 0 0 0 -3,-2.1 6,-2.5 -5,-0.4 2,-0.6 0.167 74.8 117.4-109.1 16.5 6.4 -7.3 -4.2 55 64 A I B < +f 60 0B 0 -3,-1.1 2,-0.3 4,-0.2 6,-0.2 -0.738 49.6 71.3 -87.9 121.3 7.0 -11.0 -3.2 56 65 A G S > S- 0 0 6 4,-2.7 3,-2.0 -2,-0.6 274,-0.2 -0.885 86.5 -28.8 158.0 176.2 10.7 -11.6 -2.7 57 66 A Q B 3 S+G 329 0C 77 272,-0.6 272,-2.4 1,-0.3 3,-0.1 -0.288 125.1 18.1 -55.8 129.2 13.8 -11.1 -0.5 58 67 A G T 3 S+ 0 0 3 1,-0.3 -1,-0.3 94,-0.3 95,-0.2 0.494 129.5 43.4 86.0 4.9 13.6 -7.8 1.4 59 68 A M S < S- 0 0 8 -3,-2.0 -20,-0.3 93,-0.3 -1,-0.3 -0.362 105.1 -3.1-145.3-131.8 9.8 -7.4 0.9 60 69 A L B -f 55 0B 0 -6,-2.5 -4,-2.7 -9,-0.1 -1,-0.2 -0.441 38.0-157.8 -74.3 143.0 6.8 -9.7 1.1 61 70 A S S S- 0 0 14 -22,-2.8 -33,-2.2 1,-0.3 2,-0.3 0.729 79.1 -18.5 -79.1 -29.0 7.0 -13.4 1.8 62 71 A G E -Bd 27 40A 0 -23,-1.3 -21,-1.3 -35,-0.2 2,-0.3 -0.984 58.2-146.9-166.4 169.7 3.6 -14.0 0.1 63 72 A A E -Bd 26 41A 1 -37,-2.3 -37,-2.3 -2,-0.3 -21,-0.3 -0.984 9.5-143.1-146.8 156.5 0.4 -12.3 -1.0 64 73 A C E - d 0 42A 0 -23,-1.5 -21,-1.6 -2,-0.3 2,-0.2 -0.902 18.1-161.5-124.6 98.5 -3.2 -13.2 -1.3 65 74 A P E - d 0 43A 14 0, 0.0 -21,-0.2 0, 0.0 2,-0.1 -0.571 6.6-164.9 -78.8 142.9 -5.0 -11.9 -4.4 66 75 A G E - 0 0 1 -23,-2.3 -21,-0.2 1,-0.3 5,-0.2 -0.318 38.5 -65.5-101.2-165.5 -8.8 -11.7 -4.4 67 76 A E E > S- 0 0 116 4,-0.4 3,-2.2 1,-0.2 -22,-1.5 -0.216 87.4 -49.3 -71.3 173.5 -11.2 -11.2 -7.3 68 77 A I E 3 S- d 0 45A 73 1,-0.3 -1,-0.2 -24,-0.2 -22,-0.2 -0.261 126.8 -16.4 -51.4 122.6 -11.2 -7.8 -9.1 69 78 A F T 3 S+ 0 0 54 -24,-2.8 2,-0.4 -3,-0.1 -1,-0.3 0.815 114.7 118.0 48.5 38.7 -11.3 -5.1 -6.3 70 79 A T < - 0 0 77 -3,-2.2 -25,-0.2 -25,-0.1 -1,-0.1 -0.993 69.8-109.0-140.6 127.9 -12.5 -7.8 -3.8 71 80 A S - 0 0 15 -2,-0.4 -4,-0.4 -5,-0.2 -26,-0.1 -0.133 39.1-104.5 -51.2 141.6 -10.8 -8.9 -0.6 72 81 A P - 0 0 0 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 -0.415 42.6-103.9 -62.8 147.5 -9.2 -12.4 -0.6 73 82 A T >> - 0 0 55 1,-0.1 4,-1.1 -3,-0.1 3,-1.1 -0.393 32.4-109.9 -68.3 153.9 -11.3 -14.8 1.4 74 83 A P H 3> S+ 0 0 11 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.741 113.5 67.2 -67.2 -22.5 -9.9 -15.6 4.8 75 84 A D H 3> S+ 0 0 28 828,-0.2 4,-2.4 2,-0.2 5,-0.2 0.872 100.8 50.5 -56.9 -39.8 -8.9 -19.2 3.9 76 85 A K H <> S+ 0 0 29 -3,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.922 113.3 44.8 -64.0 -45.2 -6.3 -17.8 1.4 77 86 A I H X S+ 0 0 0 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.919 114.3 48.6 -66.2 -46.6 -4.9 -15.6 4.1 78 87 A F H X S+ 0 0 20 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.945 116.4 42.1 -59.1 -50.6 -4.8 -18.3 6.8 79 88 A E H X S+ 0 0 76 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.846 114.4 50.8 -69.7 -37.6 -3.2 -20.9 4.5 80 89 A C H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.939 110.7 49.4 -61.7 -46.8 -0.7 -18.3 3.0 81 90 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.884 110.8 50.0 -60.4 -40.7 0.3 -17.3 6.5 82 91 A M H < S+ 0 0 84 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.868 111.1 50.0 -64.2 -38.7 0.8 -20.9 7.6 83 92 A Q H < S+ 0 0 71 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.839 115.8 40.9 -69.2 -35.4 2.9 -21.5 4.5 84 93 A V H < S+ 0 0 2 -4,-2.1 -51,-0.6 -53,-0.1 -2,-0.2 0.702 79.8 119.2 -90.9 -19.5 5.2 -18.5 5.1 85 94 A D < - 0 0 38 -4,-1.8 5,-0.1 -5,-0.2 -48,-0.1 -0.252 37.1-176.2 -52.3 118.4 5.7 -18.7 8.8 86 95 A G - 0 0 13 -50,-0.4 -51,-1.9 3,-0.4 -1,-0.2 0.121 57.7 -93.1-103.7 18.4 9.4 -19.1 9.5 87 96 A G S S+ 0 0 56 -53,-0.2 -50,-0.1 -52,-0.1 3,-0.1 0.452 114.9 84.7 86.8 1.2 9.0 -19.4 13.2 88 97 A E S S- 0 0 86 -52,-0.5 73,-0.4 1,-0.4 -51,-0.2 0.271 102.3 -96.5-112.1 6.4 9.6 -15.7 14.0 89 98 A G - 0 0 1 -53,-0.1 -51,-2.4 -52,-0.1 -3,-0.4 -0.204 32.0 -93.8 100.8 168.6 6.0 -14.8 13.4 90 99 A V E -ce 38 118A 0 27,-2.5 29,-1.6 -53,-0.2 2,-0.6 -0.987 23.1-152.8-127.8 128.5 3.9 -13.3 10.5 91 100 A L E -ce 39 119A 0 -53,-3.2 -51,-2.7 -2,-0.4 2,-0.6 -0.917 10.5-154.3-104.5 120.4 3.1 -9.7 10.0 92 101 A L E -ce 40 120A 0 27,-2.6 29,-2.1 -2,-0.6 2,-0.6 -0.843 2.3-158.1 -97.9 119.2 -0.1 -9.0 8.1 93 102 A I E - e 0 121A 0 -53,-2.8 2,-0.5 -2,-0.6 -51,-0.4 -0.872 16.2-171.0 -99.4 122.0 -0.2 -5.7 6.3 94 103 A I E - e 0 122A 3 27,-3.4 29,-2.9 -2,-0.6 2,-0.3 -0.957 19.0-140.0-125.3 124.6 -3.8 -4.6 5.7 95 104 A K E - e 0 123A 1 -2,-0.5 2,-1.7 -53,-0.4 29,-0.2 -0.610 40.1-101.9 -79.4 142.3 -5.2 -1.8 3.5 96 105 A N S S+ 0 0 14 27,-2.5 44,-0.4 -2,-0.3 2,-0.3 -0.458 73.0 127.1 -75.2 86.2 -8.1 -0.0 5.2 97 106 A Y > - 0 0 4 -2,-1.7 4,-3.3 42,-0.1 5,-0.3 -0.980 65.3-121.5-132.0 148.7 -11.1 -1.4 3.4 98 107 A T H > S+ 0 0 77 36,-2.6 4,-2.2 -2,-0.3 5,-0.1 0.897 113.5 44.6 -59.8 -41.3 -14.1 -3.0 5.1 99 108 A G H > S+ 0 0 28 35,-0.3 4,-2.6 2,-0.2 5,-0.2 0.919 115.7 46.5 -64.9 -47.4 -13.8 -6.3 3.3 100 109 A D H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.907 113.0 49.5 -61.5 -46.2 -10.0 -6.5 3.8 101 110 A I H X S+ 0 0 31 -4,-3.3 4,-2.2 2,-0.2 -2,-0.2 0.953 113.6 46.7 -57.1 -50.3 -10.2 -5.5 7.5 102 111 A L H X S+ 0 0 46 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.944 116.4 42.2 -59.5 -52.6 -12.9 -8.2 8.1 103 112 A N H X S+ 0 0 35 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.890 115.5 48.0 -67.0 -41.2 -11.2 -11.1 6.2 104 113 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.862 111.5 52.5 -67.7 -33.4 -7.7 -10.3 7.6 105 114 A E H X S+ 0 0 30 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.904 108.3 49.5 -65.4 -44.2 -9.2 -10.1 11.1 106 115 A T H X S+ 0 0 2 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.948 115.8 44.1 -57.2 -50.1 -10.9 -13.5 10.8 107 116 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.915 110.5 53.8 -62.7 -47.3 -7.6 -15.0 9.6 108 117 A T H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.905 109.3 48.3 -55.2 -47.1 -5.4 -13.3 12.2 109 118 A E H X S+ 0 0 8 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.909 113.8 45.8 -61.7 -44.2 -7.5 -14.6 15.1 110 119 A L H X S+ 0 0 6 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.899 110.2 54.4 -71.0 -41.5 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