==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 28-MAY-11 3S8H . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.KUMAR,N.KAUR,S.KUMAR,M.SINHA,P.KAUR,S.SHARMA,T.P.SINGH . 584 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21906.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 425 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 2 0.3 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 . 39 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.6 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 2 0 2 1 1 3 2 1 2 4 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 6 6 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 . 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 1 A M 0 0 219 0, 0.0 2,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 9.1 -9.9 -17.3 0.2 2 2 A I + 0 0 28 69,-0.1 2,-0.3 96,-0.1 36,-0.1 -0.616 360.0 80.5 -86.4 92.0 -6.8 -15.7 1.8 3 3 A A + 0 0 26 -2,-1.0 2,-0.4 2,-0.1 198,-0.3 -0.991 51.4 50.5-173.9 174.3 -6.0 -16.9 5.4 4 4 A G E S+a 201 0A 5 196,-2.0 198,-3.1 -2,-0.3 2,-0.8 -0.681 104.9 6.6 87.7-136.4 -4.6 -19.6 7.7 5 5 A S E +a 202 0A 0 -2,-0.4 32,-2.2 196,-0.2 33,-1.4 -0.762 67.7 178.6 -90.2 113.4 -1.0 -20.8 7.0 6 6 A M E -ab 203 38A 0 196,-2.7 198,-1.4 -2,-0.8 33,-0.2 -0.924 22.8-137.2-117.3 104.6 0.6 -18.7 4.3 7 7 A V E -ab 204 39A 0 31,-1.6 33,-3.3 -2,-0.6 2,-1.4 -0.364 5.4-140.2 -67.3 136.5 4.2 -19.7 3.5 8 8 A A E - b 0 40A 7 196,-2.7 33,-0.1 31,-0.2 -1,-0.1 -0.791 37.9-141.6 -92.8 84.7 6.6 -16.8 3.1 9 9 A L - 0 0 3 31,-1.4 34,-0.5 -2,-1.4 33,-0.3 -0.240 6.2-136.1 -64.5 139.4 8.3 -18.5 0.2 10 10 A V - 0 0 1 36,-0.1 36,-0.3 32,-0.1 32,-0.1 -0.383 16.9-124.6 -83.7 159.4 12.0 -18.4 -0.3 11 11 A T - 0 0 4 34,-0.5 2,-0.3 -2,-0.1 251,-0.0 -0.945 26.3-138.1-111.9 113.6 13.4 -17.8 -3.8 12 12 A P - 0 0 2 0, 0.0 8,-2.2 0, 0.0 2,-0.3 -0.558 21.1-172.8 -77.3 133.3 15.8 -20.6 -4.6 13 13 A F B -I 19 0B 0 252,-0.4 252,-0.4 -2,-0.3 6,-0.2 -0.865 21.5-122.8-116.7 151.6 19.1 -19.7 -6.4 14 14 A D > - 0 0 30 4,-2.7 3,-3.1 -2,-0.3 252,-0.2 -0.342 48.2 -81.0 -82.8 177.8 21.6 -22.1 -7.8 15 15 A A T 3 S+ 0 0 85 1,-0.3 251,-0.2 2,-0.1 -1,-0.1 0.740 134.3 54.2 -48.8 -28.9 25.3 -22.0 -6.6 16 16 A Q T 3 S- 0 0 142 2,-0.1 -1,-0.3 249,-0.1 3,-0.1 0.516 118.8-112.0 -85.2 -9.4 25.8 -19.1 -9.0 17 17 A G S < S+ 0 0 14 -3,-3.1 2,-0.2 1,-0.3 -2,-0.1 0.397 73.3 137.6 91.3 -5.0 23.0 -17.2 -7.5 18 18 A R - 0 0 151 1,-0.1 -4,-2.7 -5,-0.1 -1,-0.3 -0.488 66.5 -89.1 -74.1 146.4 20.9 -17.5 -10.7 19 19 A L B -I 13 0B 25 -6,-0.2 2,-0.6 -2,-0.2 -6,-0.2 -0.241 36.5-150.0 -56.4 138.3 17.2 -18.3 -10.3 20 20 A D > - 0 0 30 -8,-2.2 4,-1.6 1,-0.1 -1,-0.1 -0.850 15.3-178.8-116.0 95.7 16.4 -22.0 -10.2 21 21 A W H > S+ 0 0 70 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.792 79.2 63.1 -65.1 -31.3 13.0 -22.8 -11.6 22 22 A D H > S+ 0 0 123 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.985 109.0 41.1 -58.2 -53.1 13.2 -26.5 -11.0 23 23 A S H > S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.823 109.6 59.9 -60.5 -35.8 13.4 -25.9 -7.1 24 24 A L H X S+ 0 0 7 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.941 105.9 48.5 -58.5 -44.9 10.8 -23.2 -7.3 25 25 A A H X S+ 0 0 32 -4,-2.3 4,-3.0 -3,-0.3 5,-0.2 0.868 109.1 50.9 -64.6 -40.5 8.4 -25.8 -8.7 26 26 A K H X S+ 0 0 117 -4,-1.7 4,-3.0 1,-0.2 -1,-0.2 0.871 108.3 52.6 -66.1 -36.6 9.1 -28.5 -6.1 27 27 A L H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.854 112.2 46.2 -67.0 -33.9 8.5 -25.9 -3.3 28 28 A V H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 3,-0.3 0.979 114.8 44.8 -71.8 -55.1 5.2 -25.1 -4.8 29 29 A D H X S+ 0 0 79 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.902 110.6 58.0 -53.1 -39.1 4.2 -28.7 -5.3 30 30 A F H X S+ 0 0 38 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.941 113.4 37.0 -54.4 -49.2 5.5 -29.3 -1.8 31 31 A H H <>S+ 0 0 2 -4,-1.9 5,-0.9 -3,-0.3 4,-0.3 0.662 114.4 55.3 -78.6 -18.2 3.0 -26.6 -0.5 32 32 A L H <5S+ 0 0 39 -4,-2.1 -2,-0.2 3,-0.1 -1,-0.2 0.817 116.7 39.1 -81.9 -28.9 0.3 -27.7 -2.9 33 33 A Q H <5S+ 0 0 156 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.888 113.6 50.3 -85.9 -43.7 0.6 -31.2 -1.5 34 34 A D T <5S- 0 0 54 -4,-2.8 181,-0.2 -5,-0.3 -1,-0.2 0.310 116.2 -96.2 -85.9 12.9 1.1 -30.6 2.2 35 35 A G T 5 + 0 0 24 -4,-0.3 -30,-0.2 1,-0.2 -3,-0.1 0.498 57.9 163.6 96.9 1.3 -1.8 -28.3 2.8 36 36 A T < - 0 0 2 -5,-0.9 -1,-0.2 -6,-0.2 -30,-0.2 -0.279 27.1-152.6 -55.6 139.1 -0.5 -24.7 2.7 37 37 A N S S+ 0 0 59 -32,-2.2 2,-0.3 1,-0.2 -31,-0.2 0.841 71.1 3.6 -83.8 -39.5 -3.4 -22.2 2.3 38 38 A A E -b 6 0A 0 -33,-1.4 -31,-1.6 33,-0.2 2,-0.5 -0.955 61.0-138.2-143.8 162.3 -1.5 -19.4 0.5 39 39 A I E -bc 7 73A 2 33,-2.0 35,-2.4 -2,-0.3 2,-0.8 -0.989 8.9-156.1-124.0 123.5 1.9 -18.7 -1.0 40 40 A V E -bc 8 74A 2 -33,-3.3 -31,-1.4 -2,-0.5 3,-0.4 -0.881 21.0-161.6 -95.7 112.9 3.5 -15.3 -0.5 41 41 A A E + c 0 75A 2 33,-2.8 35,-2.6 -2,-0.8 -31,-0.1 -0.755 60.7 3.1 -98.8 147.2 6.0 -15.0 -3.3 42 42 A V S S+ 0 0 1 -2,-0.3 -1,-0.2 -33,-0.3 -32,-0.1 0.828 90.6 129.0 53.8 43.7 8.9 -12.5 -3.4 43 43 A G S >S- 0 0 11 -34,-0.5 5,-1.4 -3,-0.4 3,-0.1 -0.068 80.0 -60.3-100.4-151.9 8.4 -11.0 0.0 44 44 A T T > 5S+ 0 0 18 1,-0.2 3,-1.6 3,-0.2 5,-0.2 0.903 137.6 46.3 -60.8 -48.9 11.2 -10.6 2.7 45 45 A T T 3 5S+ 0 0 7 1,-0.3 -34,-0.5 2,-0.1 -1,-0.2 0.718 107.9 60.5 -67.9 -21.0 12.0 -14.3 3.0 46 46 A G T 3 5S- 0 0 0 -36,-0.3 -1,-0.3 -3,-0.1 -2,-0.2 0.249 118.0-114.9 -89.8 12.0 12.0 -14.5 -0.7 47 47 A E T X 5 + 0 0 6 -3,-1.6 3,-0.8 1,-0.1 -3,-0.2 0.923 46.7 174.0 54.3 54.0 14.8 -11.9 -0.8 48 48 A S G > < + 0 0 44 -5,-1.4 3,-1.5 1,-0.2 -4,-0.1 0.872 69.5 67.2 -56.5 -39.0 12.9 -9.2 -2.5 49 49 A A G 3 S+ 0 0 20 1,-0.3 -1,-0.2 -5,-0.2 325,-0.1 0.844 102.3 43.2 -51.2 -43.7 15.8 -6.7 -2.0 50 50 A T G < S+ 0 0 7 -3,-0.8 2,-0.4 217,-0.1 -1,-0.3 -0.053 91.4 100.7-100.2 32.8 18.2 -8.5 -4.4 51 51 A L S < S- 0 0 19 -3,-1.5 -4,-0.0 -9,-0.1 323,-0.0 -0.953 70.3-122.0-119.4 135.6 15.8 -9.3 -7.3 52 52 A D > - 0 0 62 -2,-0.4 4,-2.1 1,-0.1 5,-0.1 -0.212 31.5-112.7 -59.1 166.0 15.6 -7.4 -10.6 53 53 A V H > S+ 0 0 90 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.882 123.4 55.3 -67.9 -33.1 12.1 -6.1 -11.3 54 54 A E H > S+ 0 0 128 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 107.4 43.7 -62.9 -49.9 12.4 -8.7 -14.1 55 55 A E H > S+ 0 0 28 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.913 110.8 61.1 -63.1 -39.9 13.2 -11.7 -11.9 56 56 A H H X S+ 0 0 13 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.900 108.2 37.5 -54.2 -53.5 10.5 -10.4 -9.5 57 57 A I H X S+ 0 0 19 -4,-2.0 4,-3.4 1,-0.2 5,-0.2 0.933 114.1 57.5 -70.8 -39.8 7.5 -10.7 -11.9 58 58 A Q H X S+ 0 0 63 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.836 106.8 48.1 -60.3 -30.0 8.9 -13.8 -13.4 59 59 A V H X S+ 0 0 3 -4,-2.1 4,-1.4 2,-0.2 5,-0.2 0.906 113.1 48.5 -74.1 -38.0 8.8 -15.5 -10.0 60 60 A V H >X S+ 0 0 0 -4,-1.8 4,-2.9 -5,-0.2 3,-0.5 0.970 111.5 50.4 -62.2 -49.0 5.3 -14.3 -9.5 61 61 A R H 3X S+ 0 0 122 -4,-3.4 4,-2.9 1,-0.2 -1,-0.2 0.843 110.1 47.9 -58.9 -38.1 4.2 -15.5 -12.9 62 62 A R H 3X S+ 0 0 105 -4,-1.6 4,-1.1 -5,-0.2 -1,-0.2 0.765 113.4 46.8 -77.5 -23.3 5.6 -19.0 -12.5 63 63 A V H < S- 0 0 2 -4,-2.2 3,-1.7 -3,-0.1 -2,-0.2 0.825 83.6-162.2 -78.9 -30.1 -0.8 -22.9 -8.8 68 68 A K T 3< - 0 0 168 -4,-1.8 -3,-0.1 1,-0.3 -4,-0.1 0.814 66.8 -56.8 51.6 40.8 -3.7 -22.5 -11.3 69 69 A G T 3 S+ 0 0 67 -5,-0.4 -1,-0.3 2,-0.3 -4,-0.1 0.461 110.0 116.7 77.6 -1.6 -6.2 -20.9 -8.9 70 70 A R S < S+ 0 0 145 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.796 86.2 8.3 -71.0 -24.3 -6.0 -23.8 -6.4 71 71 A I S S- 0 0 35 -4,-0.1 -2,-0.3 -32,-0.0 -33,-0.2 -0.983 90.2 -92.3-152.1 152.4 -4.6 -21.5 -3.8 72 72 A P - 0 0 15 0, 0.0 -33,-2.0 0, 0.0 2,-0.5 -0.448 30.5-155.3 -70.2 146.7 -4.0 -17.7 -3.4 73 73 A V E -c 39 0A 0 -35,-0.2 25,-3.0 23,-0.2 26,-0.9 -0.970 9.2-167.2-125.8 111.8 -0.6 -16.3 -4.5 74 74 A I E -cd 40 99A 0 -35,-2.4 -33,-2.8 -2,-0.5 2,-0.4 -0.886 8.3-149.3-103.2 126.9 0.3 -13.1 -2.8 75 75 A A E -cd 41 100A 0 24,-2.1 26,-2.3 -2,-0.5 2,-0.4 -0.774 15.3-123.9-100.6 136.1 3.2 -11.0 -4.2 76 76 A G E + d 0 101A 8 -35,-2.6 26,-0.2 -2,-0.4 24,-0.0 -0.612 44.5 153.3 -72.7 127.0 5.5 -8.8 -2.2 77 77 A T + 0 0 1 24,-2.5 12,-0.3 -2,-0.4 11,-0.2 0.196 20.1 127.2-143.5 20.5 5.4 -5.4 -3.7 78 78 A G + 0 0 22 23,-0.8 2,-0.3 10,-0.1 26,-0.1 -0.394 27.6 170.9 -76.1 158.9 6.2 -2.9 -1.0 79 79 A A - 0 0 1 24,-0.4 6,-0.1 -2,-0.1 -2,-0.0 -0.950 44.8-115.8-160.1 159.4 8.9 -0.3 -1.6 80 80 A N S S+ 0 0 10 -2,-0.3 2,-0.4 25,-0.1 28,-0.1 0.336 101.6 68.8 -90.4 15.4 10.1 2.8 0.3 81 81 A S S > S- 0 0 3 1,-0.1 4,-1.8 481,-0.1 3,-0.3 -0.997 77.7-143.4-128.8 121.4 9.0 5.0 -2.6 82 82 A T H > S+ 0 0 4 479,-0.8 4,-1.7 -2,-0.4 5,-0.1 0.848 99.9 54.6 -58.1 -34.0 5.3 5.3 -3.3 83 83 A R H > S+ 0 0 114 478,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.918 109.5 46.8 -64.4 -43.8 5.8 5.4 -7.1 84 84 A E H > S+ 0 0 89 -3,-0.3 4,-2.7 1,-0.2 5,-0.2 0.812 107.8 55.7 -68.9 -33.7 7.7 2.2 -7.1 85 85 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.897 108.6 49.4 -65.8 -38.6 5.2 0.4 -4.8 86 86 A V H X S+ 0 0 20 -4,-1.7 4,-3.7 -5,-0.2 5,-0.2 0.976 112.5 46.7 -61.9 -53.8 2.6 1.3 -7.4 87 87 A A H X S+ 0 0 59 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.890 115.0 44.9 -55.2 -48.6 4.7 -0.0 -10.3 88 88 A L H X S+ 0 0 21 -4,-2.7 4,-1.7 -11,-0.2 -1,-0.2 0.855 116.4 48.0 -65.1 -35.3 5.6 -3.3 -8.5 89 89 A T H X S+ 0 0 0 -4,-2.1 4,-2.4 -12,-0.3 -2,-0.2 0.928 110.6 49.2 -70.6 -46.3 2.0 -3.6 -7.4 90 90 A E H X S+ 0 0 111 -4,-3.7 4,-2.1 1,-0.2 -2,-0.2 0.908 111.1 53.6 -57.2 -41.3 0.7 -2.9 -10.9 91 91 A A H < S+ 0 0 22 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.864 107.2 49.0 -62.8 -41.2 3.2 -5.5 -12.1 92 92 A A H >X>S+ 0 0 1 -4,-1.7 5,-1.3 1,-0.1 3,-1.2 0.959 110.5 51.9 -63.4 -51.4 2.0 -8.2 -9.8 93 93 A K H ><5S+ 0 0 91 -4,-2.4 3,-2.4 1,-0.3 2,-2.0 0.952 111.3 43.0 -50.5 -64.6 -1.7 -7.7 -10.7 94 94 A S T 3<5S+ 0 0 86 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 -0.190 111.8 62.4 -77.3 45.0 -1.2 -7.9 -14.5 95 95 A G T <45S- 0 0 13 -2,-2.0 -1,-0.3 -3,-1.2 -2,-0.2 0.296 120.4-102.6-142.1 -19.6 1.0 -10.9 -13.5 96 96 A G T <<5 + 0 0 32 -3,-2.4 -3,-0.2 -4,-0.6 -23,-0.2 0.200 65.8 147.0 112.7 -17.4 -1.7 -13.0 -11.9 97 97 A A < - 0 0 9 -5,-1.3 -1,-0.3 1,-0.1 -23,-0.2 -0.088 43.7-142.9 -49.6 154.0 -1.2 -12.6 -8.1 98 98 A D S S- 0 0 71 -25,-3.0 2,-0.3 1,-0.3 -24,-0.2 0.593 78.9 -7.6 -95.6 -13.6 -4.4 -12.7 -6.1 99 99 A A E -d 74 0A 0 -26,-0.9 -24,-2.1 29,-0.1 2,-0.4 -0.956 68.3-123.0-169.9 165.2 -3.2 -10.0 -3.6 100 100 A C E -de 75 130A 0 29,-2.0 31,-2.7 -2,-0.3 2,-0.6 -0.978 10.0-143.3-127.5 140.1 -0.1 -8.1 -2.8 101 101 A L E -de 76 131A 7 -26,-2.3 -24,-2.5 -2,-0.4 -23,-0.8 -0.891 20.9-168.2-101.5 119.5 1.8 -7.8 0.5 102 102 A L E - e 0 132A 0 29,-2.8 31,-0.9 -2,-0.6 59,-0.1 -0.897 8.7-151.7-118.5 108.1 3.2 -4.3 1.1 103 103 A V E - e 0 133A 11 -2,-0.6 -24,-0.4 29,-0.2 31,-0.2 -0.329 34.2 -99.4 -68.8 151.7 5.8 -3.5 3.8 104 104 A T - 0 0 0 29,-1.8 -1,-0.1 1,-0.2 31,-0.1 -0.382 55.4 -76.7 -71.7 151.9 5.7 0.0 5.2 105 105 A P - 0 0 0 0, 0.0 -1,-0.2 0, 0.0 -25,-0.1 -0.254 55.7-167.5 -47.4 128.0 8.4 2.4 3.9 106 106 A Y > + 0 0 28 -3,-0.1 3,-1.2 3,-0.1 327,-0.1 0.948 63.5 27.1 -86.3 -81.4 11.6 1.5 5.6 107 107 A Y T 3 S+ 0 0 12 1,-0.2 326,-0.1 2,-0.1 325,-0.0 0.794 114.7 56.7 -61.2 -35.1 14.7 3.7 5.4 108 108 A N T 3 S- 0 0 12 -28,-0.1 -1,-0.2 232,-0.0 -2,-0.1 0.591 91.2-140.7 -78.8 -5.0 13.0 7.1 4.9 109 109 A K < - 0 0 70 -3,-1.2 431,-0.2 30,-0.3 -3,-0.1 0.952 19.9-152.7 46.7 71.7 10.8 7.0 8.1 110 110 A P - 0 0 4 0, 0.0 453,-0.1 0, 0.0 -1,-0.1 -0.282 17.9-106.6 -70.6 157.6 7.5 8.6 6.9 111 111 A T > - 0 0 40 451,-0.4 4,-1.5 1,-0.1 5,-0.1 -0.168 37.8-101.9 -70.4 176.3 5.2 10.3 9.4 112 112 A Q H > S+ 0 0 48 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.903 126.6 51.4 -68.6 -35.0 2.0 8.4 10.3 113 113 A E H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.870 106.3 53.1 -65.5 -38.2 0.2 10.7 7.8 114 114 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.839 106.1 54.0 -66.7 -32.4 2.6 9.9 5.1 115 115 A M H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 5,-0.2 0.879 108.8 48.8 -69.0 -37.1 2.1 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