==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 13-SEP-04 1XEY . COMPND 2 MOLECULE: GLUTAMATE DECARBOXYLASE ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.I.DUTYSHEV,E.L.DARII,N.P.FOMENKOVA,I.V.PECHIK,K.M.POLYAKOV . 897 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35129.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 617 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 59 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 0 2 2 5 1 2 0 0 0 2 0 2 0 1 1 0 2 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 6 0 2 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 0 0 PARALLEL BRIDGES PER LADDER . 8 0 2 5 5 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 0 2 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 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 4 A K 0 0 125 0, 0.0 4,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -61.8 -2.0 60.0 -52.8 2 5 A L > + 0 0 77 2,-0.1 4,-1.6 1,-0.1 5,-0.1 0.495 360.0 73.8 -88.5 -8.8 0.7 60.8 -50.2 3 6 A L H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.863 92.6 51.3 -70.7 -37.4 -1.7 63.5 -49.0 4 7 A T H > S+ 0 0 90 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.779 107.7 54.7 -71.1 -23.6 -4.1 61.0 -47.4 5 8 A D H > S+ 0 0 96 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.885 109.0 46.7 -69.7 -43.4 -1.1 59.5 -45.6 6 9 A F H X S+ 0 0 61 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.915 109.4 54.3 -64.8 -44.4 -0.2 62.9 -44.1 7 10 A R H X S+ 0 0 157 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.911 111.1 46.0 -54.4 -45.8 -3.8 63.5 -43.1 8 11 A S H X S+ 0 0 37 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.876 107.0 57.5 -66.3 -40.8 -3.8 60.1 -41.2 9 12 A E H < S+ 0 0 110 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.850 113.2 41.7 -57.2 -34.9 -0.5 60.9 -39.6 10 13 A L H < S+ 0 0 140 -4,-1.8 -2,-0.2 -3,-0.1 -1,-0.2 0.919 125.5 30.7 -76.2 -43.8 -2.0 64.0 -38.1 11 14 A L H < S+ 0 0 105 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.742 87.6 106.3 -95.2 -29.1 -5.4 62.6 -37.1 12 15 A D S < S- 0 0 51 -4,-2.6 5,-0.1 -5,-0.2 2,-0.0 -0.195 70.2-116.9 -60.0 143.8 -5.0 58.9 -36.2 13 16 A S > - 0 0 82 1,-0.1 4,-1.1 4,-0.0 3,-0.2 -0.318 37.8-103.4 -70.2 161.6 -5.2 57.8 -32.6 14 17 A R T 4 S+ 0 0 92 1,-0.2 6,-0.2 2,-0.2 -1,-0.1 0.805 120.5 45.9 -71.3 -25.4 -1.9 56.2 -31.5 15 18 A F T 4 S+ 0 0 143 1,-0.2 -1,-0.2 4,-0.1 -3,-0.0 0.746 115.0 47.8 -87.2 -20.4 -3.0 52.6 -31.7 16 19 A G T 4 S+ 0 0 54 -3,-0.2 -2,-0.2 3,-0.0 -1,-0.2 0.580 90.1 111.4 -86.1 -12.8 -4.7 53.2 -35.0 17 20 A A S >< S- 0 0 6 -4,-1.1 3,-1.0 1,-0.1 4,-0.2 -0.271 72.8-128.6 -68.1 148.6 -1.6 54.9 -36.5 18 21 A K G > S+ 0 0 151 1,-0.2 3,-1.9 2,-0.2 4,-0.2 0.880 104.6 66.3 -62.1 -37.4 0.5 53.3 -39.3 19 22 A A G > S+ 0 0 27 1,-0.3 3,-0.6 2,-0.1 -1,-0.2 0.748 96.9 53.8 -56.5 -27.9 3.7 54.0 -37.3 20 23 A I G < S+ 0 0 37 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.377 85.3 86.2 -91.6 5.6 2.7 51.5 -34.5 21 24 A S G < S+ 0 0 84 -3,-1.9 2,-0.3 -4,-0.2 -1,-0.2 0.609 81.6 71.7 -77.1 -12.4 2.1 48.6 -37.0 22 25 A T S < S- 0 0 102 -3,-0.6 2,-0.2 -4,-0.2 3,-0.1 -0.733 85.4-106.4-110.7 158.9 5.8 47.5 -37.0 23 26 A I - 0 0 163 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.510 53.1 -95.9 -69.5 137.1 8.2 45.8 -34.6 24 27 A A - 0 0 15 -2,-0.2 -1,-0.1 1,-0.1 -4,-0.0 -0.323 45.0 -97.2 -61.1 140.0 10.7 48.3 -33.1 25 28 A E + 0 0 74 1,-0.1 -1,-0.1 -3,-0.1 524,-0.1 -0.243 47.7 165.2 -54.6 138.2 14.1 48.5 -34.8 26 29 A S + 0 0 39 -3,-0.1 522,-0.2 3,-0.1 523,-0.2 0.487 65.7 38.7-134.5 -11.3 16.8 46.4 -33.1 27 30 A K S S+ 0 0 133 1,-0.2 2,-0.3 521,-0.1 525,-0.2 0.691 108.0 37.6-116.9 -34.1 19.8 46.1 -35.5 28 31 A R S S- 0 0 161 524,-0.1 -1,-0.2 523,-0.1 521,-0.2 -0.909 85.7 -93.8-131.7 152.2 20.4 49.4 -37.3 29 32 A F - 0 0 9 520,-0.4 753,-0.1 -2,-0.3 749,-0.1 -0.452 56.5-110.2 -61.3 124.2 20.2 53.1 -36.7 30 33 A P - 0 0 16 0, 0.0 752,-2.4 0, 0.0 753,-0.1 -0.271 20.5-148.5 -59.6 147.4 16.7 54.2 -37.8 31 34 A L + 0 0 113 750,-0.3 752,-1.6 751,-0.2 2,-0.3 0.847 68.7 42.0 -86.5 -35.7 16.4 56.3 -40.9 32 35 A H S S- 0 0 124 750,-0.2 2,-0.1 751,-0.1 750,-0.1 -0.748 77.5-108.1-120.8 156.9 13.3 58.5 -40.3 33 36 A E - 0 0 72 -2,-0.3 2,-0.3 748,-0.1 747,-0.2 -0.436 35.1-158.7 -68.7 158.0 11.6 60.5 -37.6 34 37 A M - 0 0 40 745,-2.1 2,-0.0 -2,-0.1 5,-0.0 -0.932 34.3 -76.2-133.9 161.3 8.4 59.2 -36.0 35 38 A R > - 0 0 49 -2,-0.3 4,-2.1 1,-0.2 3,-0.3 -0.369 43.2-136.0 -49.9 126.2 5.5 60.6 -34.1 36 39 A D H > S+ 0 0 66 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.798 100.7 55.4 -62.4 -30.1 6.8 61.2 -30.6 37 40 A D H > S+ 0 0 32 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.904 109.0 48.4 -75.7 -33.9 3.7 59.8 -28.8 38 41 A V H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 5,-0.2 0.930 110.9 49.4 -66.3 -47.6 4.1 56.5 -30.8 39 42 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.921 114.7 46.0 -56.5 -47.0 7.8 56.2 -30.0 40 43 A F H X S+ 0 0 24 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.931 111.1 52.3 -59.1 -49.0 7.1 56.8 -26.3 41 44 A Q H X S+ 0 0 27 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.926 107.6 50.1 -59.7 -47.2 4.1 54.4 -26.2 42 45 A I H X S+ 0 0 26 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.901 115.5 43.0 -56.7 -45.8 6.1 51.4 -27.7 43 46 A I H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.912 111.1 53.6 -71.4 -47.1 8.9 51.8 -25.2 44 47 A N H < S+ 0 0 27 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.919 112.7 46.7 -48.3 -47.3 6.7 52.4 -22.2 45 48 A D H >< S+ 0 0 49 -4,-2.6 3,-1.5 -5,-0.2 4,-0.4 0.912 106.4 55.4 -70.2 -43.3 4.9 49.2 -23.1 46 49 A E H >< S+ 0 0 35 -4,-2.4 3,-2.2 1,-0.2 -1,-0.2 0.896 99.4 64.5 -48.1 -39.2 8.1 47.1 -23.6 47 50 A L G >< S+ 0 0 12 -4,-1.8 3,-1.7 1,-0.3 4,-0.3 0.645 80.9 77.5 -72.8 -12.8 9.1 48.1 -20.0 48 51 A Y G X S+ 0 0 162 -3,-1.5 3,-1.7 -4,-0.4 -1,-0.3 0.800 82.7 69.7 -58.2 -26.9 6.2 46.2 -18.5 49 52 A L G < S+ 0 0 119 -3,-2.2 -1,-0.3 -4,-0.4 -2,-0.2 0.582 80.8 72.7 -74.6 -8.8 8.3 43.1 -19.2 50 53 A D G < S- 0 0 3 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.711 98.9-142.1 -67.1 -21.3 10.7 44.2 -16.4 51 54 A G < - 0 0 48 -3,-1.7 2,-0.6 -4,-0.3 -1,-0.2 -0.346 38.7 -39.0 82.2-170.4 8.0 43.2 -13.9 52 55 A N > - 0 0 84 348,-0.3 3,-1.2 1,-0.1 4,-0.2 -0.820 42.5-158.5-101.0 117.5 7.2 45.1 -10.7 53 56 A A G > S+ 0 0 22 -2,-0.6 3,-1.1 1,-0.3 -1,-0.1 0.778 92.3 61.6 -62.5 -31.6 10.2 46.5 -8.8 54 57 A R G 3 S+ 0 0 70 1,-0.3 -1,-0.3 9,-0.1 9,-0.1 0.739 106.4 47.7 -65.4 -24.6 8.2 46.7 -5.5 55 58 A Q G < S+ 0 0 36 -3,-1.2 347,-2.3 345,-0.1 2,-1.1 0.362 84.0 107.5 -98.0 1.6 7.9 42.9 -5.7 56 59 A N B < +a 402 0A 0 -3,-1.1 3,-0.1 345,-0.2 347,-0.1 -0.714 38.5 170.2 -79.4 98.0 11.6 42.4 -6.5 57 60 A L + 0 0 0 345,-1.7 364,-2.0 -2,-1.1 -1,-0.2 0.298 64.6 73.1 -93.0 9.4 12.8 40.9 -3.2 58 61 A A S S+ 0 0 8 344,-0.2 -1,-0.2 362,-0.1 345,-0.1 0.822 81.3 82.0 -84.0 -37.5 16.3 40.0 -4.7 59 62 A T - 0 0 6 -3,-0.1 362,-0.1 -6,-0.1 4,-0.1 -0.316 56.2-160.9 -78.8 150.4 17.7 43.6 -4.8 60 63 A F + 0 0 16 2,-0.1 2,-0.1 -2,-0.0 -1,-0.1 0.437 66.7 98.6 -94.5 -11.6 19.3 45.5 -2.0 61 64 A C S S- 0 0 4 1,-0.1 212,-0.2 466,-0.1 -2,-0.1 -0.445 87.2 -82.0 -85.8 155.6 18.7 48.9 -3.9 62 65 A Q + 0 0 3 210,-2.6 217,-0.3 215,-0.4 -1,-0.1 -0.258 39.9 172.7 -58.1 129.0 15.9 51.5 -3.4 63 66 A T + 0 0 6 361,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.170 67.8 48.2-119.1 13.3 12.7 50.6 -5.2 64 67 A W - 0 0 104 462,-0.1 2,-0.3 -11,-0.1 -1,-0.1 -0.977 59.5-177.7-147.7 140.9 10.6 53.5 -3.7 65 68 A D - 0 0 3 -2,-0.3 5,-0.1 -3,-0.1 212,-0.1 -0.994 30.1-110.3-138.3 144.2 11.4 57.2 -3.4 66 69 A D > - 0 0 23 -2,-0.3 4,-1.8 1,-0.1 3,-0.3 -0.087 35.6-102.1 -71.7 166.0 9.3 60.0 -1.7 67 70 A E H > S+ 0 0 145 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.868 120.5 55.4 -58.0 -39.4 7.6 62.7 -3.8 68 71 A N H > S+ 0 0 11 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.884 106.7 50.8 -62.0 -38.8 10.2 65.4 -2.8 69 72 A V H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.891 107.6 52.4 -65.2 -41.4 13.0 63.1 -4.2 70 73 A H H X S+ 0 0 51 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.928 113.3 45.9 -56.5 -46.9 11.1 62.6 -7.5 71 74 A K H X S+ 0 0 97 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.935 113.3 47.8 -62.3 -47.3 10.9 66.5 -7.7 72 75 A L H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.869 111.1 50.5 -64.2 -37.6 14.5 67.1 -6.8 73 76 A M H < S+ 0 0 36 -4,-2.5 4,-0.4 2,-0.2 -1,-0.2 0.921 110.8 49.0 -67.8 -42.5 15.8 64.5 -9.3 74 77 A D H >< S+ 0 0 72 -4,-2.0 3,-0.9 -5,-0.2 -2,-0.2 0.911 112.4 48.8 -64.1 -38.4 13.7 66.0 -12.1 75 78 A L H 3< S+ 0 0 93 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.779 114.6 46.0 -68.4 -27.0 15.0 69.5 -11.2 76 79 A S T >< S+ 0 0 0 -4,-1.5 3,-2.4 -5,-0.2 242,-0.6 0.362 75.2 115.2 -97.3 6.3 18.6 68.2 -11.2 77 80 A I T < S+ 0 0 17 -3,-0.9 651,-0.5 -4,-0.4 -1,-0.2 0.773 88.3 31.3 -50.2 -35.9 18.4 66.2 -14.4 78 81 A N T 3 S+ 0 0 25 -3,-0.3 2,-0.6 -4,-0.2 -1,-0.3 0.170 87.5 117.3-109.7 14.3 21.0 68.4 -16.1 79 82 A K < - 0 0 28 -3,-2.4 239,-1.8 649,-0.1 2,-0.7 -0.762 59.0-140.6 -87.0 124.1 23.2 69.4 -13.1 80 83 A N B > -B 317 0B 2 -2,-0.6 3,-0.9 237,-0.2 7,-0.2 -0.750 9.7-160.2 -96.8 112.9 26.7 68.1 -13.7 81 84 A W T 3 S+ 0 0 13 235,-2.3 -1,-0.1 -2,-0.7 234,-0.1 0.805 90.4 52.1 -55.4 -40.1 28.4 66.7 -10.5 82 85 A I T 3 S+ 0 0 10 234,-0.4 2,-1.6 232,-0.2 -1,-0.3 0.742 90.2 81.3 -74.0 -23.2 32.0 67.0 -11.9 83 86 A D <> + 0 0 26 -3,-0.9 4,-2.1 1,-0.2 3,-0.3 -0.553 53.1 167.0 -87.9 77.5 31.6 70.7 -13.0 84 87 A K T 4 S+ 0 0 15 -2,-1.6 7,-0.2 1,-0.2 -1,-0.2 0.807 75.3 46.2 -63.6 -33.7 32.3 72.3 -9.6 85 88 A E T 4 S+ 0 0 75 216,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.798 115.0 46.2 -76.4 -30.2 32.7 75.8 -10.9 86 89 A E T 4 S+ 0 0 34 -3,-0.3 -2,-0.2 1,-0.3 -1,-0.2 0.747 125.8 28.8 -87.0 -24.9 29.6 75.7 -13.2 87 90 A Y S X S+ 0 0 7 -4,-2.1 4,-1.9 -7,-0.2 -1,-0.3 -0.617 77.1 164.1-131.4 64.4 27.3 74.2 -10.6 88 91 A P H > S+ 0 0 15 0, 0.0 4,-1.8 0, 0.0 411,-0.2 0.755 70.8 48.1 -66.4 -30.0 28.9 75.6 -7.4 89 92 A Q H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.851 108.3 54.6 -82.6 -31.6 26.0 75.1 -4.9 90 93 A S H > S+ 0 0 9 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.943 110.5 49.2 -56.5 -45.9 25.5 71.5 -6.0 91 94 A A H X S+ 0 0 8 -4,-1.9 4,-1.9 -7,-0.2 -2,-0.2 0.909 109.1 50.9 -57.4 -48.8 29.3 71.1 -5.2 92 95 A A H X S+ 0 0 21 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.890 109.2 50.6 -58.3 -41.5 28.9 72.7 -1.8 93 96 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.893 107.2 54.8 -64.5 -41.8 26.0 70.4 -0.9 94 97 A D H X S+ 0 0 7 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.930 106.0 51.8 -50.5 -47.6 28.1 67.4 -1.9 95 98 A L H X S+ 0 0 37 -4,-1.9 4,-1.9 1,-0.2 20,-0.2 0.862 106.4 54.0 -66.8 -34.5 30.9 68.6 0.5 96 99 A R H X S+ 0 0 46 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.909 105.9 52.8 -59.6 -45.0 28.3 68.8 3.4 97 100 A C H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.909 105.6 54.6 -60.1 -41.5 27.3 65.1 2.7 98 101 A V H X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.952 109.9 47.0 -56.7 -51.3 31.0 64.1 3.0 99 102 A N H X S+ 0 0 15 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.893 113.3 48.2 -53.5 -47.4 31.2 65.7 6.4 100 103 A M H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 378,-0.4 0.893 111.8 47.2 -65.2 -41.4 28.0 64.1 7.6 101 104 A V H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.923 112.4 51.1 -66.4 -42.2 28.9 60.6 6.5 102 105 A A H <>S+ 0 0 5 -4,-2.4 5,-2.3 -5,-0.3 3,-0.4 0.943 110.2 50.3 -59.9 -43.6 32.4 60.9 8.1 103 106 A D H ><5S+ 0 0 43 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.927 106.6 54.5 -59.3 -45.7 30.7 62.1 11.3 104 107 A L H 3<5S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.833 110.8 45.9 -56.0 -37.3 28.3 59.1 11.3 105 108 A W T 3<5S- 0 0 0 -4,-1.6 154,-1.7 -3,-0.4 -1,-0.3 0.235 117.2-110.4 -94.4 11.5 31.3 56.7 11.0 106 109 A H T < 5 + 0 0 100 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.838 49.2 177.5 62.2 37.1 33.3 58.4 13.8 107 110 A A < - 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0 0 0 -2,-2.2 2,-0.1 1,-0.1 49,-0.0 -0.321 33.1-100.6 -80.1 156.7 33.1 39.5 -1.1 160 163 A Q > - 0 0 33 1,-0.1 3,-1.9 -2,-0.1 4,-0.5 -0.331 46.7 -97.8 -67.2 156.3 30.9 40.9 -3.8 161 164 A I T >> S+ 0 0 59 1,-0.3 4,-2.3 2,-0.2 3,-0.9 0.731 113.1 77.9 -57.3 -27.8 32.2 40.6 -7.4 162 165 A C H 3> S+ 0 0 2 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.831 91.7 55.7 -53.6 -31.5 33.6 44.2 -7.6 163 166 A W H <> S+ 0 0 0 -3,-1.9 4,-1.9 2,-0.2 -1,-0.3 0.855 105.3 51.4 -69.9 -34.2 36.5 43.0 -5.5 164 167 A H H <> S+ 0 0 61 -3,-0.9 4,-1.9 -4,-0.5 -2,-0.2 0.897 111.4 47.9 -64.7 -41.0 37.2 40.3 -8.2 165 168 A K H X S+ 0 0 3 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.910 108.7 53.7 -65.1 -42.9 37.1 43.0 -10.8 166 169 A F H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.907 109.5 48.8 -54.3 -47.1 39.5 45.2 -8.8 167 170 A A H <>S+ 0 0 9 -4,-1.9 5,-2.3 1,-0.2 4,-0.4 0.901 115.0 43.7 -62.7 -46.9 42.0 42.4 -8.5 168 171 A R H ><5S+ 0 0 107 -4,-1.9 3,-0.6 3,-0.2 -1,-0.2 0.898 116.6 46.1 -61.0 -46.0 41.9 41.6 -12.3 169 172 A Y H 3<5S+ 0 0 1 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.774 121.3 35.3 -78.1 -27.2 42.0 45.3 -13.4 170 173 A W T 3<5S- 0 0 2 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.202 107.9-116.4-110.7 14.5 44.8 46.4 -11.1 171 174 A D T < 5 + 0 0 71 -3,-0.6 2,-0.4 -4,-0.4 -3,-0.2 0.928 62.3 146.9 52.2 54.3 46.9 43.1 -11.2 172 175 A V < - 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