==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 03-APR-02 1LBF . COMPND 2 MOLECULE: INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR M.HENNIG,B.DARIMONT,K.KIRSCHNER,J.N.JANSONIUS . 247 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10951.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 20 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 2 0 0 1 2 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 4 2 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 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 1 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 2 A P 0 0 54 0, 0.0 135,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-178.7 -13.5 -12.5 49.3 2 3 A R - 0 0 78 133,-2.3 2,-0.4 1,-0.1 135,-0.1 -0.252 360.0 -78.3 -78.6 172.6 -16.0 -10.7 47.1 3 4 A Y - 0 0 192 133,-0.1 2,-0.3 -2,-0.0 -1,-0.1 -0.604 62.9-178.0 -70.3 125.8 -19.7 -11.5 46.7 4 5 A L - 0 0 27 -2,-0.4 2,-0.3 -3,-0.1 131,-0.0 -0.962 18.6-167.2-134.0 150.3 -19.8 -14.6 44.5 5 6 A K >> + 0 0 109 -2,-0.3 4,-0.9 4,-0.0 3,-0.6 -0.787 53.7 5.8-124.3 166.4 -22.5 -16.8 43.0 6 7 A G H >> S- 0 0 52 -2,-0.3 4,-1.7 1,-0.2 3,-0.5 -0.109 119.8 -16.0 64.1-153.4 -22.3 -20.2 41.3 7 8 A W H 3> S+ 0 0 50 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.811 132.8 60.3 -59.6 -32.2 -19.3 -22.5 41.0 8 9 A L H <> S+ 0 0 4 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.897 103.1 51.0 -62.5 -41.5 -17.0 -19.6 41.9 9 10 A K H < S+ 0 0 3 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.887 103.4 61.0 -63.2 -40.6 -10.2 -22.8 49.2 16 17 A L H 3< S+ 0 0 63 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.837 113.5 36.8 -57.2 -32.9 -11.2 -21.1 52.5 17 18 A R T 3< S+ 0 0 158 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.230 82.9 134.5-106.9 18.2 -11.0 -24.5 54.2 18 19 A R < - 0 0 17 -3,-1.7 -3,-0.1 -4,-0.1 2,-0.0 -0.517 58.5-122.7 -68.3 121.5 -8.0 -25.9 52.4 19 20 A P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.357 28.7-110.3 -65.1 142.6 -5.7 -27.6 55.0 20 21 A S - 0 0 89 1,-0.0 2,-0.5 -2,-0.0 97,-0.1 -0.345 22.7-132.6 -73.9 158.2 -2.1 -26.2 55.0 21 22 A F - 0 0 49 95,-0.3 2,-0.5 2,-0.0 102,-0.1 -0.952 14.0-155.2-115.2 119.4 0.8 -28.3 53.8 22 23 A R + 0 0 239 -2,-0.5 2,-0.3 102,-0.0 98,-0.0 -0.834 34.0 135.0 -97.3 125.8 3.9 -28.4 56.0 23 24 A A - 0 0 24 -2,-0.5 2,-0.3 2,-0.0 101,-0.1 -0.974 52.8-103.2-161.5 161.8 7.1 -29.2 54.2 24 25 A S - 0 0 112 -2,-0.3 2,-0.6 100,-0.1 -2,-0.0 -0.741 35.2-127.5 -91.9 140.3 10.8 -28.1 54.0 25 26 A R + 0 0 39 -2,-0.3 98,-0.1 1,-0.2 99,-0.1 -0.831 27.3 177.3 -98.9 125.3 11.8 -26.0 51.1 26 27 A Q + 0 0 103 -2,-0.6 -1,-0.2 97,-0.2 99,-0.0 0.953 58.6 44.0 -79.3 -90.1 14.8 -27.1 49.1 27 28 A R S S- 0 0 43 1,-0.1 3,-0.1 98,-0.0 -1,-0.1 -0.324 83.4-116.2 -67.0 142.0 15.6 -25.0 46.0 28 29 A P - 0 0 104 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.211 47.6 -72.7 -71.4 169.3 15.4 -21.2 46.2 29 30 A I - 0 0 46 122,-0.1 2,-0.5 76,-0.0 98,-0.1 -0.401 38.8-157.9 -68.2 138.0 12.9 -19.1 44.2 30 31 A I - 0 0 58 -2,-0.1 2,-0.3 76,-0.1 76,-0.2 -0.984 26.2-123.7-116.1 112.4 13.5 -18.8 40.5 31 32 A S > - 0 0 29 -2,-0.5 4,-1.5 1,-0.2 5,-0.1 -0.406 19.8-165.7 -63.1 119.8 11.7 -15.7 39.2 32 33 A L H > S+ 0 0 1 -2,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.935 87.9 51.8 -71.4 -45.2 9.2 -16.5 36.4 33 34 A N H > S+ 0 0 22 1,-0.2 4,-1.8 121,-0.2 -1,-0.2 0.860 110.1 48.7 -62.3 -34.4 8.7 -12.9 35.4 34 35 A E H > S+ 0 0 129 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.887 108.5 52.5 -72.5 -38.2 12.5 -12.3 35.1 35 36 A R H X S+ 0 0 62 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.889 107.2 54.3 -64.5 -34.5 13.0 -15.4 33.0 36 37 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.944 107.2 50.7 -61.9 -46.4 10.2 -14.2 30.7 37 38 A L H X S+ 0 0 69 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.886 110.4 48.9 -59.2 -40.5 12.1 -10.9 30.3 38 39 A E H X S+ 0 0 87 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.865 108.9 51.8 -71.4 -31.9 15.3 -12.7 29.4 39 40 A F H <>S+ 0 0 9 -4,-2.1 5,-2.8 2,-0.2 -2,-0.2 0.918 110.6 50.1 -66.4 -39.9 13.5 -14.9 26.9 40 41 A N H ><5S+ 0 0 24 -4,-2.4 3,-1.3 3,-0.2 -2,-0.2 0.931 110.5 49.6 -60.0 -46.8 12.2 -11.7 25.3 41 42 A K H 3<5S+ 0 0 169 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.911 113.3 45.3 -59.4 -43.7 15.7 -10.3 25.2 42 43 A R T 3<5S- 0 0 136 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.361 114.8-120.0 -83.9 8.1 17.0 -13.4 23.6 43 44 A N T < 5 + 0 0 142 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.788 63.9 143.0 59.6 32.4 14.1 -13.4 21.2 44 45 A I < - 0 0 62 -5,-2.8 -1,-0.2 -6,-0.2 2,-0.2 -0.881 59.3-110.3-102.6 132.0 12.7 -16.8 22.3 45 46 A T - 0 0 32 -2,-0.4 2,-0.8 201,-0.3 183,-0.1 -0.444 32.1-138.8 -61.7 127.1 8.9 -17.2 22.4 46 47 A A + 0 0 1 181,-0.5 183,-2.3 -2,-0.2 2,-0.5 -0.809 26.5 178.0 -97.2 106.8 8.1 -17.5 26.1 47 48 A I E -a 229 0A 0 -2,-0.8 30,-1.9 28,-0.3 31,-1.1 -0.923 21.3-153.5-110.4 129.1 5.4 -20.2 26.6 48 49 A I E -ab 230 78A 0 181,-3.5 183,-2.4 -2,-0.5 2,-0.4 -0.915 20.8-149.9 -99.9 109.3 4.2 -21.1 30.1 49 50 A A E -ab 231 79A 0 29,-1.7 31,-2.3 -2,-0.8 2,-0.4 -0.669 11.1-149.7 -81.6 129.8 3.0 -24.8 29.6 50 51 A E E - b 0 80A 8 181,-2.7 2,-0.6 -2,-0.4 31,-0.2 -0.839 7.1-151.4-107.4 140.8 0.2 -25.7 32.0 51 52 A Y E + b 0 81A 6 29,-2.7 31,-1.8 -2,-0.4 2,-0.3 -0.944 32.1 146.5-107.5 119.1 -0.6 -29.1 33.4 52 53 A K - 0 0 30 -2,-0.6 37,-0.1 29,-0.1 3,-0.1 -0.920 30.9-163.7-153.4 127.4 -4.3 -29.8 34.2 53 54 A R S S+ 0 0 69 35,-0.7 8,-2.8 -2,-0.3 2,-0.3 0.782 78.5 13.7 -79.2 -32.9 -6.1 -33.1 33.9 54 55 A K B -I 60 0B 88 34,-1.2 6,-0.2 6,-0.2 -1,-0.1 -0.930 61.8-171.0-141.8 160.0 -9.6 -31.8 33.9 55 56 A S > - 0 0 9 4,-1.4 3,-2.4 -2,-0.3 33,-0.1 -0.988 37.0-116.1-153.4 150.1 -11.4 -28.4 33.5 56 57 A P T 3 S+ 0 0 51 0, 0.0 32,-0.1 0, 0.0 -1,-0.1 0.765 114.3 62.9 -58.5 -23.0 -15.0 -27.1 34.0 57 58 A S T 3 S- 0 0 60 -3,-0.0 -3,-0.0 1,-0.0 0, 0.0 0.454 130.1 -87.5 -82.3 2.3 -15.1 -26.4 30.2 58 59 A G S < S+ 0 0 52 -3,-2.4 2,-0.1 1,-0.3 -1,-0.0 0.442 72.3 148.6 114.5 -3.6 -14.7 -30.1 29.5 59 60 A L + 0 0 3 -4,-0.1 -4,-1.4 1,-0.0 -1,-0.3 -0.398 11.6 168.3 -65.1 140.8 -11.0 -31.1 29.4 60 61 A D B +I 54 0B 119 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.707 12.4 153.3-155.5 97.3 -10.4 -34.7 30.5 61 62 A V - 0 0 22 -8,-2.8 2,-0.6 -2,-0.2 176,-0.1 -0.985 33.5-149.8-133.8 138.2 -6.9 -36.0 29.8 62 63 A E + 0 0 187 -2,-0.4 2,-0.3 174,-0.0 -2,-0.0 -0.947 37.9 141.7-108.7 118.8 -4.7 -38.6 31.4 63 64 A R - 0 0 85 -2,-0.6 -2,-0.1 0, 0.0 174,-0.0 -0.961 57.1 -98.7-155.5 136.7 -1.0 -37.9 31.0 64 65 A D > - 0 0 77 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.404 25.7-147.7 -63.1 124.3 1.8 -38.4 33.4 65 66 A P H > S+ 0 0 14 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.891 94.7 48.3 -60.5 -40.4 2.6 -35.1 35.2 66 67 A I H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.938 113.8 42.9 -66.4 -49.9 6.3 -35.8 35.6 67 68 A E H > S+ 0 0 123 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.912 114.7 52.2 -64.6 -42.0 7.0 -36.9 32.0 68 69 A Y H X S+ 0 0 8 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.933 111.9 45.7 -58.4 -48.6 4.9 -34.0 30.6 69 70 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.903 111.6 51.1 -63.3 -43.3 6.9 -31.5 32.8 70 71 A K H < S+ 0 0 97 -4,-2.6 4,-0.5 2,-0.2 -1,-0.2 0.873 113.0 46.4 -62.9 -38.4 10.3 -32.9 31.8 71 72 A F H >< S+ 0 0 31 -4,-2.2 3,-1.3 -5,-0.2 4,-0.4 0.937 114.1 47.1 -67.5 -47.1 9.3 -32.8 28.1 72 73 A M H >X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.3 3,-1.7 0.830 98.2 72.1 -63.9 -31.6 8.0 -29.2 28.5 73 74 A E T 3< S+ 0 0 49 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.746 88.0 63.7 -55.8 -26.3 11.1 -28.2 30.4 74 75 A R T <4 S+ 0 0 170 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.788 123.7 11.7 -69.3 -27.4 13.1 -28.4 27.2 75 76 A Y T <4 S+ 0 0 52 -3,-1.7 -28,-0.3 -4,-0.4 -2,-0.2 0.716 101.9 94.7-121.8 -32.6 11.1 -25.6 25.6 76 77 A A < - 0 0 1 -4,-3.3 -28,-0.2 1,-0.1 3,-0.1 -0.318 58.7-144.2 -73.8 147.6 9.0 -23.7 28.1 77 78 A V S S- 0 0 0 -30,-1.9 2,-0.3 1,-0.2 -29,-0.2 0.791 85.0 -22.9 -75.1 -28.0 9.9 -20.5 30.0 78 79 A G E -b 48 0A 0 -31,-1.1 -29,-1.7 26,-0.1 2,-0.3 -0.971 64.8-112.0-168.7 173.2 7.9 -21.9 33.0 79 80 A L E -bc 49 106A 1 26,-2.7 28,-3.4 -2,-0.3 2,-0.5 -0.923 13.2-152.8-122.0 148.1 5.2 -24.4 34.1 80 81 A S E -bc 50 107A 0 -31,-2.3 -29,-2.7 -2,-0.3 2,-0.5 -0.988 14.4-166.6-119.0 124.8 1.8 -23.7 35.5 81 82 A I E -bc 51 108A 0 26,-2.5 28,-2.9 -2,-0.5 2,-0.4 -0.968 15.5-137.5-118.3 122.9 0.4 -26.5 37.8 82 83 A L E + c 0 109A 7 -31,-1.8 9,-0.7 -2,-0.5 28,-0.2 -0.642 23.8 174.0 -75.7 125.6 -3.3 -26.6 38.8 83 84 A T + 0 0 0 26,-2.6 2,-0.4 -2,-0.4 9,-0.2 0.349 40.5 116.9-113.5 3.8 -3.6 -27.5 42.5 84 85 A E - 0 0 4 25,-0.6 6,-3.1 1,-0.1 4,-0.3 -0.604 50.6-160.4 -73.6 128.0 -7.4 -27.0 42.7 85 86 A E S > S+ 0 0 104 -2,-0.4 4,-0.7 4,-0.3 -1,-0.1 0.905 71.0 43.9 -81.0 -47.4 -8.9 -30.3 43.5 86 87 A K T 4 S+ 0 0 115 2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.881 124.6 23.4 -72.5 -42.2 -12.6 -30.5 42.7 87 88 A Y T 4 S+ 0 0 50 1,-0.1 -1,-0.1 -33,-0.1 -2,-0.1 0.706 134.9 30.6 -98.6 -24.1 -12.9 -28.8 39.3 88 89 A F T 4 S- 0 0 24 -4,-0.3 -34,-1.2 -33,-0.1 -35,-0.7 0.451 92.8-130.9-114.7 -5.6 -9.4 -29.3 37.9 89 90 A N < + 0 0 74 -4,-0.7 -4,-0.3 1,-0.2 2,-0.1 0.834 58.8 141.5 59.9 32.2 -8.4 -32.5 39.6 90 91 A G - 0 0 10 -6,-3.1 2,-0.3 -38,-0.1 -7,-0.3 -0.387 29.9-168.0 -94.8 179.9 -5.1 -31.0 40.7 91 92 A S > - 0 0 28 -9,-0.7 4,-1.5 -2,-0.1 3,-0.2 -0.977 37.5-116.2-163.9 156.2 -3.4 -31.6 44.1 92 93 A Y H > S+ 0 0 15 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.853 114.1 62.9 -61.4 -35.2 -0.5 -30.3 46.2 93 94 A E H > S+ 0 0 97 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.888 100.6 48.8 -57.1 -46.5 1.1 -33.7 45.7 94 95 A T H > S+ 0 0 12 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.916 111.1 50.4 -63.5 -42.4 1.4 -33.3 42.0 95 96 A L H X S+ 0 0 0 -4,-1.5 4,-3.0 1,-0.2 -2,-0.2 0.939 110.6 50.6 -60.7 -47.2 3.0 -29.8 42.4 96 97 A R H X S+ 0 0 97 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.930 111.5 46.8 -56.3 -48.1 5.5 -31.2 44.9 97 98 A K H X S+ 0 0 114 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.902 115.1 46.3 -62.6 -42.2 6.5 -34.1 42.6 98 99 A I H >X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 3,-1.2 0.913 108.5 55.3 -67.0 -43.0 6.9 -31.8 39.6 99 100 A A H 3< S+ 0 0 1 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.797 108.0 49.9 -62.2 -28.3 8.9 -29.2 41.6 100 101 A S H 3< S+ 0 0 86 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.647 113.1 48.7 -82.0 -15.0 11.4 -31.9 42.6 101 102 A S H << S+ 0 0 42 -3,-1.2 2,-0.3 -4,-0.6 -2,-0.2 0.602 108.0 44.9-101.1 -16.4 11.8 -33.0 38.9 102 103 A V < - 0 0 8 -4,-1.3 -32,-0.1 2,-0.1 4,-0.1 -0.865 55.1-153.2-128.7 163.0 12.3 -29.8 37.0 103 104 A S + 0 0 84 -2,-0.3 3,-0.1 2,-0.1 -4,-0.1 0.186 64.8 97.3-121.3 15.6 14.5 -26.7 37.3 104 105 A I S S- 0 0 9 1,-0.1 -26,-0.1 -74,-0.0 -2,-0.1 -0.641 88.8 -74.3 -97.2 163.8 12.5 -24.1 35.4 105 106 A P - 0 0 0 0, 0.0 -26,-2.7 0, 0.0 2,-0.4 -0.242 46.0-151.8 -60.5 142.3 10.1 -21.7 37.2 106 107 A I E -c 79 0A 0 -76,-0.2 21,-2.9 -28,-0.2 22,-1.4 -0.962 6.4-159.0-121.7 126.8 6.7 -23.0 38.5 107 108 A L E -cd 80 128A 0 -28,-3.4 -26,-2.5 -2,-0.4 2,-0.6 -0.897 15.5-142.6-100.1 127.4 3.5 -21.0 38.9 108 109 A M E -cd 81 129A 0 20,-2.4 22,-1.3 -2,-0.5 2,-0.6 -0.844 17.9-158.4 -90.3 123.9 1.0 -22.6 41.3 109 110 A K E +c 82 0A 20 -28,-2.9 -26,-2.6 -2,-0.6 -25,-0.6 -0.920 37.4 113.6-110.4 118.3 -2.4 -22.0 39.9 110 111 A D S S- 0 0 2 -2,-0.6 2,-0.8 -28,-0.2 20,-0.0 -0.816 75.3 -80.4-158.6-168.2 -5.4 -22.2 42.3 111 112 A F - 0 0 11 -2,-0.2 2,-0.5 -100,-0.1 20,-0.1 -0.847 50.6-161.2-113.4 88.9 -8.0 -19.8 43.8 112 113 A I + 0 0 1 -2,-0.8 20,-0.3 18,-0.5 23,-0.1 -0.657 32.2 147.9 -81.9 119.3 -6.0 -18.1 46.5 113 114 A V + 0 0 11 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.355 61.6 44.8-126.8 -5.8 -8.1 -16.4 49.2 114 115 A K S >> S- 0 0 51 1,-0.1 3,-1.3 -99,-0.1 4,-0.6 -0.989 77.6-116.7-145.6 153.8 -5.9 -16.8 52.3 115 116 A E H >> S+ 0 0 96 -2,-0.3 4,-2.0 1,-0.3 3,-1.1 0.817 107.1 65.9 -55.7 -39.5 -2.3 -16.5 53.3 116 117 A S H 3> S+ 0 0 29 1,-0.3 4,-2.4 2,-0.2 -95,-0.3 0.772 95.0 60.3 -59.8 -24.3 -1.8 -20.1 54.2 117 118 A Q H <> S+ 0 0 0 -3,-1.3 4,-2.2 2,-0.2 -1,-0.3 0.839 105.4 47.4 -71.2 -31.7 -2.3 -21.0 50.5 118 119 A I H S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 4,-0.9 0.937 113.3 46.3 -54.5 -48.2 2.9 -22.7 47.4 122 123 A Y H ><5S+ 0 0 69 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.948 114.3 45.3 -60.6 -52.1 6.2 -21.8 48.9 123 124 A N H 3<5S+ 0 0 39 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.776 110.3 55.5 -64.5 -27.1 6.7 -25.0 51.0 124 125 A L H 3<5S- 0 0 1 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.649 122.6-102.7 -80.2 -17.5 5.6 -27.2 48.0 125 126 A G T <<5 + 0 0 0 -3,-0.9 -3,-0.2 -4,-0.9 -19,-0.2 0.523 68.2 147.8 109.4 6.4 8.3 -25.6 45.8 126 127 A A < - 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0 0 48 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.505 38.0-104.9 -83.9 163.7 -11.6 -7.4 47.4 138 139 A E H > S+ 0 0 69 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.860 121.1 51.0 -59.7 -36.9 -9.0 -4.6 46.8 139 140 A R H > S+ 0 0 201 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 110.7 48.2 -68.2 -40.1 -7.7 -4.8 50.4 140 141 A E H > S+ 0 0 49 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.927 110.6 51.1 -64.1 -44.9 -7.3 -8.6 50.2 141 142 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.910 111.5 48.5 -58.1 -46.0 -5.4 -8.4 46.9 142 143 A E H X S+ 0 0 96 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.903 113.6 45.6 -62.3 -44.5 -3.1 -5.8 48.3 143 144 A S H X S+ 0 0 67 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.924 115.4 46.4 -66.1 -44.9 -2.4 -7.9 51.5 144 145 A L H X S+ 0 0 8 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.855 110.9 53.4 -66.5 -36.2 -1.9 -11.1 49.6 145 146 A L H X S+ 0 0 2 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.954 111.7 44.7 -64.1 -48.7 0.4 -9.3 47.1 146 147 A E H X S+ 0 0 109 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.900 112.6 53.2 -63.1 -36.8 2.6 -8.0 49.9 147 148 A Y H < S+ 0 0 54 -4,-2.4 3,-0.4 2,-0.2 4,-0.3 0.908 108.5 47.7 -64.1 -43.9 2.5 -11.4 51.5 148 149 A A H ><>S+ 0 0 0 -4,-2.6 5,-2.0 1,-0.2 3,-1.8 0.918 109.3 55.6 -63.2 -41.1 3.7 -13.2 48.3 149 150 A R H ><5S+ 0 0 49 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.773 94.3 67.3 -64.1 -24.1 6.4 -10.6 48.0 150 151 A S T 3<5S+ 0 0 88 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.644 102.0 48.3 -70.9 -12.0 7.7 -11.4 51.5 151 152 A Y T < 5S- 0 0 61 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.258 126.7-103.7-104.5 7.1 8.7 -14.8 50.1 152 153 A G T < 5S+ 0 0 57 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.724 78.7 136.0 77.8 21.6 10.4 -13.1 47.1 153 154 A M < - 0 0 4 -5,-2.0 -1,-0.3 -6,-0.1 -2,-0.2 -0.823 46.4-153.8-102.5 140.6 7.6 -14.0 44.7 154 155 A E - 0 0 15 -2,-0.4 -121,-0.2 -27,-0.3 -122,-0.2 -0.946 29.3-141.4-108.5 107.2 6.1 -11.6 42.2 155 156 A P - 0 0 0 0, 0.0 2,-0.7 0, 0.0 20,-0.4 -0.324 10.5-117.7 -69.7 152.3 2.6 -13.0 41.8 156 157 A L E -e 130 0A 0 -27,-2.2 -25,-2.4 18,-0.1 2,-0.6 -0.814 30.0-151.7 -88.2 118.5 0.8 -13.1 38.4 157 158 A I E -ef 131 176A 0 18,-2.8 20,-2.3 -2,-0.7 2,-0.4 -0.852 9.6-145.6 -98.6 117.4 -2.3 -10.9 38.9 158 159 A E E -ef 132 177A 6 -27,-2.8 -25,-1.9 -2,-0.6 -24,-0.4 -0.708 18.4-178.7 -92.3 129.5 -5.1 -12.0 36.6 159 160 A I E + f 0 178A 0 18,-2.9 20,-2.1 -2,-0.4 3,-0.1 -0.881 18.2 175.5-122.1 155.2 -7.5 -9.5 35.1 160 161 A N + 0 0 14 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.442 69.1 20.0-133.6 -12.7 -10.5 -10.1 32.8 161 162 A D S > S- 0 0 58 1,-0.1 4,-2.0 35,-0.1 3,-0.3 -0.935 85.7 -90.4-150.8 174.0 -12.0 -6.6 32.5 162 163 A E H > S+ 0 0 92 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.842 122.0 54.2 -58.8 -37.5 -11.2 -2.8 32.8 163 164 A N H > S+ 0 0 84 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.884 107.3 51.6 -66.1 -35.9 -12.3 -2.6 36.4 164 165 A D H > S+ 0 0 2 -3,-0.3 4,-2.8 1,-0.2 -2,-0.2 0.926 110.0 50.2 -62.7 -45.7 -9.8 -5.5 37.2 165 166 A L H X S+ 0 0 7 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.870 106.0 54.8 -61.2 -40.4 -7.0 -3.6 35.5 166 167 A D H X S+ 0 0 82 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.921 112.6 43.4 -60.3 -44.2 -7.8 -0.4 37.4 167 168 A I H X S+ 0 0 10 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.942 112.4 52.9 -66.6 -46.6 -7.4 -2.3 40.7 168 169 A A H <>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 4,-0.4 0.878 112.7 44.4 -55.8 -41.9 -4.3 -4.2 39.4 169 170 A L H ><5S+ 0 0 64 -4,-2.6 3,-0.9 3,-0.2 -1,-0.2 0.896 110.5 55.0 -71.1 -40.2 -2.6 -0.9 38.5 170 171 A R H 3<5S+ 0 0 142 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.890 108.8 46.9 -60.8 -42.6 -3.6 0.8 41.7 171 172 A I T 3<5S- 0 0 16 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.523 119.6-107.7 -80.4 -3.9 -2.1 -1.9 43.9 172 173 A G T < 5 - 0 0 35 -3,-0.9 -3,-0.2 -4,-0.4 2,-0.2 0.845 46.9-178.9 85.0 34.8 1.2 -1.9 41.9 173 174 A A < - 0 0 8 -5,-2.3 -1,-0.2 1,-0.1 3,-0.1 -0.453 12.0-179.7 -67.7 136.3 1.1 -5.2 40.0 174 175 A R S S+ 0 0 144 -19,-0.3 31,-2.5 1,-0.2 2,-0.4 0.479 71.7 50.6-112.7 -8.5 4.2 -5.7 37.8 175 176 A F E S- g 0 205A 0 -20,-0.4 -18,-2.8 29,-0.2 2,-0.4 -0.957 72.2-177.9-137.5 108.4 3.2 -9.1 36.4 176 177 A I E -fg 157 206A 0 29,-2.6 31,-2.8 -2,-0.4 2,-0.5 -0.929 18.3-156.5-121.9 136.7 -0.3 -9.4 34.8 177 178 A G E -fg 158 207A 0 -20,-2.3 -18,-2.9 -2,-0.4 2,-0.8 -0.916 9.5-155.2-105.6 127.5 -2.2 -12.2 33.2 178 179 A I E -fg 159 208A 0 29,-2.8 31,-2.5 -2,-0.5 2,-0.6 -0.897 12.8-158.8-106.9 105.0 -5.0 -11.2 30.8 179 180 A N E - g 0 209A 10 -20,-2.1 31,-0.2 -2,-0.8 4,-0.1 -0.738 12.7-162.8 -88.5 117.9 -7.5 -14.1 30.8 180 181 A S S S+ 0 0 2 29,-2.5 9,-2.7 -2,-0.6 2,-0.5 0.584 72.0 82.1 -74.8 -8.1 -9.7 -14.2 27.7 181 182 A R B S-J 188 0C 54 28,-0.3 2,-0.6 7,-0.2 7,-0.2 -0.862 80.0-132.1-103.5 130.5 -12.0 -16.5 29.5 182 183 A D > - 0 0 39 5,-2.9 4,-2.7 -2,-0.5 5,-0.2 -0.680 14.1-148.7 -76.7 119.0 -14.7 -15.2 31.9 183 184 A L T 4 S+ 0 0 17 -2,-0.6 -1,-0.2 1,-0.2 -175,-0.0 0.839 93.5 45.2 -57.8 -37.5 -14.4 -17.4 35.1 184 185 A E T 4 S+ 0 0 93 1,-0.1 -1,-0.2 3,-0.1 -177,-0.2 0.927 127.7 22.7 -75.3 -48.1 -18.1 -17.1 35.9 185 186 A T T 4 S- 0 0 66 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.586 91.4-134.0 -96.8 -12.3 -19.6 -17.7 32.4 186 187 A L < + 0 0 52 -4,-2.7 2,-0.3 1,-0.2 -3,-0.1 0.555 55.6 144.9 67.8 10.0 -16.7 -19.6 30.8 187 188 A E - 0 0 140 -5,-0.2 -5,-2.9 -6,-0.1 2,-0.4 -0.603 43.1-141.3 -79.9 139.4 -17.1 -17.5 27.7 188 189 A I B -J 181 0C 67 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.856 18.3-178.0-101.1 133.9 -14.0 -16.6 25.8 189 190 A N > + 0 0 83 -9,-2.7 4,-1.5 -2,-0.4 5,-0.1 -0.858 8.1 178.3-135.0 98.7 -13.7 -13.1 24.3 190 191 A K H > S+ 0 0 73 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.846 81.4 56.8 -67.8 -36.8 -10.5 -12.5 22.3 191 192 A E H > S+ 0 0 115 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.914 106.9 47.3 -63.2 -45.3 -11.5 -9.0 21.4 192 193 A N H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 110.6 54.2 -63.0 -39.2 -11.9 -7.8 25.0 193 194 A Q H X S+ 0 0 2 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.928 108.6 48.2 -59.9 -44.9 -8.6 -9.5 25.8 194 195 A R H X S+ 0 0 84 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.853 108.7 54.1 -65.6 -34.3 -6.8 -7.5 23.0 195 196 A K H X S+ 0 0 74 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.943 111.3 45.1 -64.2 -48.0 -8.4 -4.2 24.2 196 197 A L H >X S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 4,-0.7 0.892 108.2 56.0 -63.5 -42.2 -7.1 -4.8 27.7 197 198 A I H >< S+ 0 0 3 -4,-2.4 3,-0.9 1,-0.3 -1,-0.2 0.897 104.9 54.8 -56.3 -41.6 -3.6 -5.8 26.6 198 199 A S H 3< S+ 0 0 86 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.628 105.0 53.4 -68.9 -15.0 -3.4 -2.5 24.7 199 200 A M H << S+ 0 0 82 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.569 85.1 105.5 -94.7 -12.1 -4.2 -0.5 27.9 200 201 A I S << S- 0 0 15 -3,-0.9 6,-0.1 -4,-0.7 4,-0.0 -0.462 80.3-103.6 -76.2 139.1 -1.4 -2.0 30.0 201 202 A P > - 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