==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 16-FEB-13 4J9J . COMPND 2 MOLECULE: IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE SUBUNIT HIS . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR R.STERNER,C.RAJENDRAN,J.SPERL . 227 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10352.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 15.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 2 0.9 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 . 1 0.4 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 . 19 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 2 0 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 5 0 1 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 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 1 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 0 A L 0 0 66 0, 0.0 212,-0.3 0, 0.0 228,-0.2 0.000 360.0 360.0 360.0-130.2 7.7 20.7 70.0 2 1 A A - 0 0 5 226,-2.3 212,-0.2 1,-0.1 3,-0.1 -0.501 360.0-160.3 -68.4 142.3 6.5 17.3 68.9 3 2 A D S S+ 0 0 73 210,-1.7 2,-0.3 1,-0.2 211,-0.2 0.759 73.3 19.4 -90.7 -30.0 9.3 14.8 68.4 4 3 A K E -a 214 0A 24 209,-2.1 211,-2.9 224,-0.1 2,-0.3 -0.925 62.2-153.2-136.3 159.6 7.3 12.4 66.3 5 4 A V E -ab 215 30A 0 24,-2.1 26,-2.5 -2,-0.3 2,-0.3 -0.969 13.2-142.1-128.2 149.3 4.2 12.4 64.2 6 5 A I E + b 0 31A 12 209,-2.2 211,-0.4 -2,-0.3 2,-0.3 -0.764 21.4 179.1-105.6 157.7 2.0 9.4 63.4 7 6 A I E + b 0 32A 11 24,-1.5 26,-3.7 -2,-0.3 213,-0.1 -0.980 16.6 153.2-150.8 158.3 0.3 8.9 60.0 8 7 A N S > S+ 0 0 31 -2,-0.3 4,-1.5 24,-0.2 3,-0.5 0.238 75.0 27.6-144.2 -86.0 -2.0 6.3 58.3 9 8 A T H > S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.889 120.0 54.8 -59.3 -43.6 -4.4 7.1 55.5 10 9 A A H 4 S+ 0 0 21 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.809 107.4 51.9 -61.7 -30.5 -2.2 10.0 54.2 11 10 A A H 4 S+ 0 0 0 -3,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.831 110.1 48.2 -74.4 -33.7 0.7 7.7 54.0 12 11 A V H < S+ 0 0 22 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.916 111.6 47.5 -73.2 -44.3 -1.3 5.2 51.9 13 12 A E S < S+ 0 0 112 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.552 133.5 17.9 -76.8 -7.0 -2.6 7.7 49.5 14 13 A N > - 0 0 67 -4,-0.4 3,-2.1 -5,-0.2 4,-0.4 -0.458 62.6-178.7-162.8 86.9 0.9 9.1 49.1 15 14 A P T >> S+ 0 0 32 0, 0.0 3,-1.1 0, 0.0 4,-0.8 0.736 82.1 71.0 -56.9 -26.4 3.8 6.9 50.3 16 15 A S H 3> S+ 0 0 39 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.662 82.2 73.5 -66.8 -16.2 6.2 9.7 49.4 17 16 A L H <> S+ 0 0 1 -3,-2.1 4,-2.0 -7,-0.2 -1,-0.3 0.872 92.9 53.8 -63.5 -38.3 4.9 11.6 52.4 18 17 A I H <> S+ 0 0 0 -3,-1.1 4,-2.4 -4,-0.4 -1,-0.2 0.926 108.8 48.1 -59.6 -47.5 6.8 9.2 54.6 19 18 A T H X S+ 0 0 49 -4,-0.8 4,-2.2 1,-0.2 -2,-0.2 0.875 108.9 54.6 -62.4 -39.7 10.0 10.0 52.8 20 19 A Q H X S+ 0 0 71 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.910 111.6 42.3 -64.2 -45.3 9.4 13.7 53.0 21 20 A I H >X S+ 0 0 0 -4,-2.0 4,-3.4 1,-0.2 3,-0.8 0.936 115.6 50.3 -64.5 -46.6 9.0 13.8 56.8 22 21 A A H 3X S+ 0 0 13 -4,-2.4 4,-0.9 1,-0.3 -2,-0.2 0.809 111.3 47.5 -64.4 -32.5 11.9 11.4 57.3 23 22 A Q H 3< S+ 0 0 145 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.635 119.1 42.9 -81.4 -13.7 14.2 13.5 55.1 24 23 A T H << S+ 0 0 67 -3,-0.8 -2,-0.2 -4,-0.7 -3,-0.2 0.834 134.2 10.9-100.0 -42.5 13.1 16.6 56.9 25 24 A F H < S- 0 0 60 -4,-3.4 -3,-0.2 1,-0.2 -2,-0.1 0.290 114.8 -92.3-122.3 7.0 13.1 15.6 60.6 26 25 A G >< - 0 0 21 -4,-0.9 3,-1.7 -5,-0.4 -1,-0.2 0.112 37.0 -88.1 92.6 149.4 14.8 12.2 60.5 27 26 A S G > S+ 0 0 51 1,-0.3 3,-2.4 -5,-0.2 44,-0.5 0.855 122.6 67.3 -58.8 -35.6 13.3 8.7 60.1 28 27 A Q G 3 S+ 0 0 121 1,-0.3 -1,-0.3 43,-0.2 -2,-0.1 0.593 93.2 61.0 -64.3 -10.2 12.9 8.5 63.9 29 28 A A G < S+ 0 0 1 -3,-1.7 -24,-2.1 -25,-0.1 2,-0.6 0.436 88.7 86.5 -94.6 -1.6 10.3 11.2 63.7 30 29 A V E < +b 5 0A 0 -3,-2.4 41,-2.3 39,-0.2 42,-1.6 -0.884 49.8 176.2-109.0 112.4 8.0 9.1 61.4 31 30 A V E -bc 6 72A 0 -26,-2.5 -24,-1.5 -2,-0.6 2,-0.7 -0.956 14.8-156.8-111.8 116.4 5.5 6.7 63.0 32 31 A V E -bc 7 73A 0 40,-2.4 42,-2.4 -2,-0.6 2,-0.5 -0.835 6.8-148.9 -95.7 117.5 3.3 4.9 60.5 33 32 A A E - c 0 74A 15 -26,-3.7 2,-0.5 -2,-0.7 42,-0.2 -0.736 15.0-164.6 -84.3 125.6 0.0 3.6 62.0 34 33 A I E - c 0 75A 1 40,-3.5 42,-2.2 -2,-0.5 2,-0.5 -0.943 9.5-165.2-119.5 116.3 -1.2 0.5 60.3 35 34 A D E +Dc 46 76A 46 11,-0.6 11,-2.8 -2,-0.5 2,-0.3 -0.855 21.0 176.4 -94.3 130.1 -4.7 -0.9 60.6 36 35 A A E +D 45 0A 3 40,-2.2 2,-0.3 -2,-0.5 9,-0.2 -0.954 14.5 173.1-137.2 153.8 -5.0 -4.5 59.4 37 36 A K E -D 44 0A 104 7,-1.6 7,-2.1 -2,-0.3 2,-0.2 -0.967 39.4 -97.3-159.0 142.9 -7.6 -7.2 59.2 38 37 A R E +D 43 0A 100 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.435 40.1 174.6 -65.0 124.6 -7.8 -10.7 57.7 39 38 A V E > S-D 42 0A 53 3,-3.3 3,-1.1 -2,-0.2 -2,-0.0 -0.944 71.4 -16.2-134.1 113.3 -9.6 -10.8 54.3 40 39 A D T 3 S- 0 0 160 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.907 130.3 -47.8 59.8 45.6 -9.6 -14.1 52.4 41 40 A G T 3 S+ 0 0 62 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.100 123.4 83.5 91.2 -23.7 -6.9 -15.7 54.5 42 41 A E E < S-D 39 0A 104 -3,-1.1 -3,-3.3 -5,-0.1 2,-0.4 -0.812 81.1-105.2-119.1 157.4 -4.4 -12.8 54.4 43 42 A F E -D 38 0A 10 -2,-0.3 15,-3.2 -5,-0.2 16,-0.4 -0.642 37.6-168.0 -81.7 127.2 -3.9 -9.6 56.3 44 43 A M E -DE 37 57A 23 -7,-2.1 -7,-1.6 -2,-0.4 2,-0.3 -0.893 22.3-116.0-118.2 145.8 -4.9 -6.4 54.4 45 44 A A E -D 36 0A 3 11,-2.8 9,-2.1 -2,-0.4 11,-0.5 -0.598 31.1-159.5 -78.7 137.4 -4.2 -2.8 55.2 46 45 A F E -DE 35 53A 18 -11,-2.8 -11,-0.6 -2,-0.3 7,-0.2 -0.947 5.0-164.1-121.6 140.7 -7.3 -0.6 55.9 47 46 A T E >> + E 0 52A 2 5,-2.5 5,-2.0 -2,-0.4 4,-1.4 -0.620 61.3 43.9-113.8 175.9 -7.7 3.1 55.8 48 47 A Y T >45S- 0 0 115 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.946 137.2 -43.8 54.4 57.5 -10.2 5.7 57.0 49 48 A S T 345S- 0 0 105 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.778 112.1 -56.6 58.5 30.2 -10.5 4.2 60.5 50 49 A G T 345S+ 0 0 22 2,-0.2 -1,-0.2 -15,-0.1 -2,-0.2 0.734 113.0 111.9 80.2 25.4 -10.7 0.7 59.0 51 50 A K T <<5 + 0 0 176 -4,-1.4 2,-0.5 -3,-0.7 -3,-0.2 0.716 67.7 55.6 -99.2 -25.7 -13.7 1.3 56.8 52 51 A K E -E 44 0A 47 -2,-0.5 4,-2.3 -13,-0.2 -13,-0.3 -0.360 17.3-127.8 -63.8 144.6 -1.4 -6.8 51.6 58 57 A L H > S+ 0 0 0 -15,-3.2 4,-2.4 1,-0.2 5,-0.2 0.863 111.4 57.4 -60.3 -36.5 -0.1 -6.1 55.1 59 58 A R H > S+ 0 0 124 -16,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.916 109.6 42.7 -58.2 -47.7 3.1 -7.8 54.1 60 59 A D H > S+ 0 0 71 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.898 115.0 48.4 -68.9 -42.6 3.7 -5.4 51.2 61 60 A W H X S+ 0 0 9 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.894 108.8 52.3 -69.0 -42.5 2.8 -2.2 53.1 62 61 A V H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.924 115.0 42.9 -57.4 -46.4 5.0 -3.0 56.1 63 62 A V H X S+ 0 0 45 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.894 113.3 53.4 -67.3 -39.8 7.9 -3.5 53.8 64 63 A E H X S+ 0 0 73 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.937 106.3 50.3 -61.6 -49.3 7.0 -0.5 51.7 65 64 A V H X>S+ 0 0 0 -4,-2.9 5,-2.3 1,-0.2 4,-0.5 0.810 109.1 52.6 -63.3 -30.9 6.8 2.0 54.6 66 65 A E H ><5S+ 0 0 47 -4,-1.2 3,-0.9 -5,-0.2 -1,-0.2 0.918 109.5 47.1 -70.5 -43.3 10.2 0.9 55.9 67 66 A K H 3<5S+ 0 0 141 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.764 106.5 60.2 -69.2 -24.2 11.9 1.5 52.5 68 67 A R H 3<5S- 0 0 85 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.690 128.4-101.6 -73.4 -19.8 10.1 4.8 52.4 69 68 A G T <<5 + 0 0 16 -3,-0.9 -3,-0.2 -4,-0.5 -39,-0.2 0.681 59.2 167.6 109.2 24.4 12.0 5.6 55.6 70 69 A A < - 0 0 4 -5,-2.3 -1,-0.2 1,-0.1 -39,-0.1 -0.356 28.2-149.3 -67.7 148.4 9.6 5.1 58.4 71 70 A G S S- 0 0 13 -41,-2.3 2,-0.3 -44,-0.5 -40,-0.2 0.903 70.4 -12.8 -85.6 -48.0 10.9 5.1 62.0 72 71 A E E -c 31 0A 10 -42,-1.6 -40,-2.4 -45,-0.2 2,-0.5 -0.954 62.8-119.1-150.5 171.3 8.5 2.7 63.6 73 72 A I E -cf 32 96A 0 22,-2.5 24,-3.0 -2,-0.3 2,-0.9 -0.954 5.9-154.8-123.5 125.9 5.1 1.1 63.1 74 73 A L E -cf 33 97A 20 -42,-2.4 -40,-3.5 -2,-0.5 2,-0.4 -0.846 26.4-164.9 -96.8 102.2 1.9 1.4 65.1 75 74 A L E +cf 34 98A 6 22,-2.0 24,-3.0 -2,-0.9 2,-0.3 -0.724 14.1 167.2 -98.4 135.5 0.0 -1.9 64.5 76 75 A A E c 35 0A 18 -42,-2.2 -40,-2.2 -2,-0.4 24,-0.1 -0.979 360.0 360.0-142.1 153.8 -3.6 -2.5 65.2 77 76 A S 0 0 90 -2,-0.3 -1,-0.1 22,-0.2 -42,-0.1 0.669 360.0 360.0-112.1 360.0 -6.3 -5.1 64.4 78 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 79 85 A G 0 0 73 0, 0.0 3,-0.3 0, 0.0 22,-0.1 0.000 360.0 360.0 360.0 57.7 -6.4 -9.3 74.1 80 86 A Y - 0 0 37 1,-0.2 2,-1.8 19,-0.1 3,-0.2 0.712 360.0-106.9 68.7 130.7 -4.0 -8.5 71.2 81 87 A D >> + 0 0 32 1,-0.2 4,-1.9 2,-0.1 3,-0.6 -0.622 45.3 174.0 -82.3 77.5 -3.9 -10.1 67.7 82 88 A T H 3> S+ 0 0 32 -2,-1.8 4,-1.9 -3,-0.3 -1,-0.2 0.705 72.4 59.8 -64.5 -21.3 -0.7 -12.0 68.6 83 89 A E H 3> S+ 0 0 96 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.893 106.3 45.9 -71.9 -41.8 -0.8 -13.8 65.3 84 90 A M H <> S+ 0 0 2 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.887 112.6 50.7 -67.5 -40.5 -0.7 -10.6 63.3 85 91 A I H X S+ 0 0 6 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.906 110.4 49.1 -63.8 -42.9 2.1 -9.3 65.4 86 92 A R H < S+ 0 0 141 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.825 110.9 52.4 -63.4 -32.6 4.0 -12.5 64.9 87 93 A F H < S+ 0 0 64 -4,-1.5 4,-0.3 1,-0.2 -2,-0.2 0.917 113.9 40.9 -68.2 -45.2 3.4 -12.1 61.2 88 94 A V H >X S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 4,-0.7 0.839 98.6 78.6 -73.5 -34.5 4.7 -8.6 61.0 89 95 A R G >< S+ 0 0 60 -4,-2.3 3,-0.9 1,-0.3 -1,-0.2 0.830 96.6 39.0 -49.0 -50.9 7.7 -9.1 63.3 90 96 A P G 34 S+ 0 0 104 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.646 106.4 69.4 -78.7 -8.4 10.1 -10.8 60.9 91 97 A L G <4 S+ 0 0 56 -3,-1.4 2,-0.3 -4,-0.3 -2,-0.2 0.639 109.1 24.0 -80.5 -15.2 9.0 -8.5 58.1 92 98 A T << - 0 0 7 -3,-0.9 -1,-0.1 -4,-0.7 -29,-0.1 -0.994 51.5-152.6-150.6 153.9 10.6 -5.5 59.6 93 99 A T + 0 0 121 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.500 67.5 110.2-100.5 -9.4 13.4 -4.4 62.1 94 100 A L S S- 0 0 23 1,-0.1 -22,-0.2 -22,-0.0 -2,-0.1 -0.206 84.6 -87.0 -62.6 155.0 11.6 -1.2 63.0 95 101 A P - 0 0 42 0, 0.0 -22,-2.5 0, 0.0 2,-0.6 -0.434 43.3-144.0 -62.5 138.0 10.1 -0.9 66.5 96 102 A I E -f 73 0A 0 19,-0.3 21,-2.2 -24,-0.2 22,-2.1 -0.935 10.9-164.1-112.9 119.6 6.6 -2.3 66.7 97 103 A I E -fg 74 118A 3 -24,-3.0 -22,-2.0 -2,-0.6 2,-0.6 -0.896 12.6-146.7-102.4 114.4 3.9 -0.6 68.8 98 104 A A E -fg 75 119A 3 20,-2.2 22,-2.0 -2,-0.7 2,-0.3 -0.703 19.6-125.4 -81.2 119.8 0.9 -2.8 69.5 99 105 A S E - g 0 120A 54 -24,-3.0 -22,-0.2 -2,-0.6 -19,-0.1 -0.508 36.5-138.2 -68.1 127.7 -2.3 -0.6 69.7 100 106 A G + 0 0 29 20,-1.7 21,-0.1 -2,-0.3 -20,-0.1 0.600 52.9 148.5 -75.5-142.6 -3.9 -1.5 73.1 101 107 A G + 0 0 83 1,-0.6 2,-0.1 19,-0.1 -1,-0.1 -0.040 56.1 115.7 125.9 -23.2 -7.3 -2.1 74.5 102 108 A A - 0 0 8 1,-0.1 -1,-0.6 5,-0.1 22,-0.2 -0.468 41.3-176.5 -76.1 148.5 -5.9 -4.5 77.0 103 109 A G + 0 0 43 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.175 57.9 69.6-132.5 15.5 -6.1 -3.7 80.7 104 110 A K S >> S- 0 0 37 1,-0.1 4,-1.5 27,-0.0 3,-0.9 -0.949 76.0-124.5-135.4 157.0 -4.3 -6.6 82.4 105 111 A M H 3> S+ 0 0 37 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.821 106.7 65.2 -68.4 -31.6 -0.6 -7.7 82.6 106 112 A E H 34 S+ 0 0 135 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.709 107.2 42.4 -67.2 -20.1 -1.4 -11.2 81.2 107 113 A H H <> S+ 0 0 69 -3,-0.9 4,-1.0 2,-0.2 3,-0.4 0.804 109.9 55.8 -91.3 -36.6 -2.4 -9.6 77.9 108 114 A F H X S+ 0 0 0 -4,-1.5 4,-1.6 1,-0.2 3,-0.5 0.871 102.3 58.2 -60.6 -39.0 0.5 -7.2 77.8 109 115 A L H X S+ 0 0 75 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.839 101.1 56.0 -60.1 -35.2 2.9 -10.1 78.1 110 116 A E H > S+ 0 0 87 -3,-0.4 4,-1.7 -4,-0.4 -1,-0.2 0.812 103.6 54.3 -69.4 -31.4 1.5 -11.7 75.0 111 117 A A H X>S+ 0 0 0 -4,-1.0 5,-2.2 -3,-0.5 4,-1.3 0.942 112.7 40.8 -68.1 -48.9 2.2 -8.6 72.9 112 118 A F H <5S+ 0 0 26 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.808 113.5 55.7 -69.2 -30.5 5.9 -8.4 73.8 113 119 A L H <5S+ 0 0 133 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.867 105.3 52.5 -67.6 -36.7 6.1 -12.2 73.5 114 120 A A H <5S- 0 0 12 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.805 133.7 -84.1 -71.4 -31.1 4.8 -12.0 69.9 115 121 A G T <5S+ 0 0 13 -4,-1.3 -19,-0.3 1,-0.2 -3,-0.2 0.348 78.0 141.7 144.7 -4.0 7.4 -9.4 68.9 116 122 A A < - 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0 0 27 1,-0.2 2,-2.5 2,-0.1 3,-0.2 0.823 360.0-107.2 44.2 112.7 -2.8 20.3 64.6 198 208 A D > + 0 0 27 1,-0.2 4,-1.6 2,-0.1 3,-0.3 -0.413 48.1 172.3 -65.4 83.7 -3.8 21.6 68.0 199 209 A T H > S+ 0 0 37 -2,-2.5 4,-2.5 -3,-0.5 -1,-0.2 0.778 70.5 61.6 -70.5 -23.5 -0.4 23.4 68.4 200 210 A E H > S+ 0 0 95 2,-0.2 4,-1.1 -3,-0.2 -1,-0.2 0.906 105.5 46.3 -65.1 -42.0 -1.6 25.2 71.5 201 211 A M H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.884 112.9 49.7 -67.4 -39.4 -2.1 21.9 73.3 202 212 A I H X S+ 0 0 7 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.893 110.4 49.3 -67.3 -40.6 1.3 20.6 72.1 203 213 A R H < S+ 0 0 144 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.758 112.5 51.4 -67.3 -24.6 3.0 23.8 73.3 204 214 A F H < S+ 0 0 71 -4,-1.1 4,-0.4 -5,-0.2 -2,-0.2 0.921 114.8 39.0 -75.6 -47.6 1.1 23.3 76.6 205 215 A V H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 4,-0.4 0.858 100.9 77.2 -71.8 -36.9 2.2 19.6 77.1 206 216 A R G >< S+ 0 0 50 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.832 96.9 39.3 -46.4 -54.0 5.8 20.1 75.8 207 217 A P G 3 S+ 0 0 101 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.678 104.8 70.8 -75.5 -13.1 7.4 21.8 78.8 208 218 A L G < S+ 0 0 55 -3,-1.3 2,-0.3 -4,-0.4 -2,-0.2 0.525 107.7 28.6 -79.4 -5.1 5.5 19.6 81.2 209 219 A T < - 0 0 8 -3,-1.2 -1,-0.1 -4,-0.4 4,-0.1 -0.998 51.6-153.0-154.7 152.9 7.6 16.6 80.2 210 220 A T + 0 0 122 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.275 70.0 108.5-105.1 6.0 11.0 15.5 78.9 211 221 A L S S- 0 0 25 1,-0.1 -25,-0.2 -5,-0.1 -2,-0.1 -0.490 84.8 -89.6 -79.7 152.4 9.5 12.4 77.3 212 222 A P - 0 0 45 0, 0.0 -25,-2.3 0, 0.0 2,-0.5 -0.404 41.3-144.2 -58.9 135.4 9.1 12.1 73.5 213 223 A I E - l 0 187A 0 -212,-0.3 -209,-2.1 -27,-0.2 -210,-1.7 -0.931 7.4-158.0-110.5 121.7 5.8 13.5 72.3 214 224 A I E -al 4 188A 1 -27,-3.6 -25,-2.0 -2,-0.5 2,-0.5 -0.865 12.5-146.0-101.4 111.8 4.0 11.8 69.4 215 225 A A E -al 5 189A 2 -211,-2.9 -209,-2.2 -2,-0.7 2,-0.4 -0.655 4.5-151.1 -82.2 119.8 1.6 14.1 67.6 216 226 A S + 0 0 45 -27,-2.3 -25,-0.3 -2,-0.5 -209,-0.1 -0.771 33.7 151.0 -85.7 131.9 -1.5 12.4 66.2 217 227 A G - 0 0 44 -2,-0.4 -1,-0.1 -211,-0.4 -210,-0.1 0.080 50.3-138.1-128.3-124.8 -2.8 14.3 63.2 218 228 A G + 0 0 81 -212,-0.1 2,-0.2 -210,-0.0 -211,-0.1 0.169 50.8 145.1 154.4 12.3 -4.7 13.9 59.9 219 229 A A - 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