==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SYNTHASE 19-FEB-98 1A53 . COMPND 2 MOLECULE: INDOLE-3-GLYCEROLPHOSPHATE 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) . 10789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 74.5 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 . 21 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.7 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 50 0, 0.0 135,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 179.4 -13.5 -12.7 49.1 2 3 A R - 0 0 78 133,-2.5 2,-0.3 1,-0.1 135,-0.1 -0.336 360.0 -78.4 -83.0 170.2 -15.9 -10.9 46.8 3 4 A Y - 0 0 191 -2,-0.1 2,-0.3 133,-0.1 -1,-0.1 -0.571 65.0-178.7 -67.4 127.2 -19.6 -11.6 46.6 4 5 A L - 0 0 28 -2,-0.3 2,-0.3 -3,-0.1 131,-0.0 -0.946 18.8-163.9-134.5 154.1 -19.7 -14.7 44.3 5 6 A K >> + 0 0 109 -2,-0.3 4,-0.9 4,-0.0 3,-0.7 -0.803 53.0 3.9-127.1 168.2 -22.3 -17.0 42.7 6 7 A G H >> S- 0 0 47 -2,-0.3 4,-1.6 1,-0.2 3,-0.7 -0.075 120.2 -14.4 59.1-152.1 -22.2 -20.4 41.1 7 8 A W H 3> S+ 0 0 40 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.775 132.8 59.6 -58.4 -30.0 -19.1 -22.7 40.9 8 9 A L H <> S+ 0 0 3 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.883 103.5 51.0 -67.0 -38.2 -16.8 -19.8 41.8 9 10 A K H < S+ 0 0 2 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.864 101.9 60.4 -67.1 -37.1 -10.1 -22.8 49.3 16 17 A L H 3< S+ 0 0 61 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.853 113.1 38.3 -60.1 -34.8 -11.1 -21.1 52.5 17 18 A R T 3< S+ 0 0 158 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.164 83.2 136.0-102.7 20.3 -11.0 -24.5 54.3 18 19 A R < - 0 0 18 -3,-1.7 -3,-0.1 1,-0.1 2,-0.1 -0.540 57.3-123.8 -70.3 121.5 -7.9 -25.8 52.4 19 20 A P - 0 0 99 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.389 28.1-113.0 -65.1 140.8 -5.6 -27.5 54.9 20 21 A S - 0 0 91 -2,-0.1 2,-0.5 1,-0.0 97,-0.1 -0.369 21.4-132.9 -75.4 155.9 -2.0 -26.2 55.0 21 22 A F - 0 0 53 95,-0.3 2,-0.5 -2,-0.1 102,-0.2 -0.948 12.7-154.8-115.4 121.9 0.9 -28.3 53.9 22 23 A R + 0 0 239 -2,-0.5 2,-0.3 101,-0.0 98,-0.1 -0.842 34.2 134.2 -98.3 123.3 4.0 -28.4 56.0 23 24 A A - 0 0 24 -2,-0.5 2,-0.4 2,-0.0 101,-0.1 -0.972 53.6-105.4-161.0 160.6 7.3 -29.3 54.2 24 25 A S - 0 0 114 -2,-0.3 2,-0.6 100,-0.1 -2,-0.0 -0.764 34.0-131.0 -92.4 139.0 10.9 -28.1 54.0 25 26 A R + 0 0 37 -2,-0.4 99,-0.1 1,-0.2 98,-0.1 -0.842 26.0 177.2 -98.2 126.4 11.8 -26.1 50.9 26 27 A Q + 0 0 109 -2,-0.6 -1,-0.2 97,-0.1 99,-0.0 0.949 58.4 56.5 -86.1 -69.7 15.0 -27.2 49.2 27 28 A R S S- 0 0 36 1,-0.1 3,-0.1 72,-0.1 -1,-0.1 -0.454 82.2-119.5 -75.1 138.7 15.5 -25.2 46.0 28 29 A P - 0 0 107 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.139 46.6 -77.8 -65.4 170.6 15.6 -21.4 46.1 29 30 A I - 0 0 47 122,-0.1 2,-0.6 76,-0.0 98,-0.1 -0.537 38.3-156.5 -75.8 137.5 13.0 -19.3 44.2 30 31 A I - 0 0 60 -2,-0.2 2,-0.2 76,-0.1 76,-0.2 -0.974 24.5-125.0-114.8 111.7 13.6 -19.0 40.4 31 32 A S > - 0 0 28 -2,-0.6 4,-1.1 1,-0.2 97,-0.1 -0.410 20.0-166.6 -63.7 122.3 11.8 -15.9 39.2 32 33 A L H > S+ 0 0 2 -2,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 87.4 51.8 -75.3 -42.8 9.3 -16.7 36.3 33 34 A N H > S+ 0 0 22 1,-0.2 4,-1.7 121,-0.2 -1,-0.2 0.823 110.4 49.6 -65.7 -30.7 8.8 -13.1 35.3 34 35 A E H > S+ 0 0 132 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.825 109.1 51.2 -76.2 -32.0 12.6 -12.5 35.0 35 36 A R H X S+ 0 0 63 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.880 107.7 53.3 -71.9 -35.5 13.0 -15.7 32.9 36 37 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.937 108.1 51.7 -60.7 -46.8 10.2 -14.4 30.6 37 38 A L H X S+ 0 0 67 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.875 109.9 47.7 -58.7 -41.1 12.1 -11.2 30.2 38 39 A E H X S+ 0 0 89 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.824 109.6 52.4 -73.5 -28.3 15.4 -12.9 29.3 39 40 A F H <>S+ 0 0 9 -4,-1.9 5,-2.8 2,-0.2 -2,-0.2 0.886 109.8 50.8 -69.9 -37.6 13.6 -15.2 26.8 40 41 A N H ><5S+ 0 0 24 -4,-2.3 3,-1.3 3,-0.2 -2,-0.2 0.921 110.0 49.9 -61.5 -45.3 12.2 -11.9 25.2 41 42 A K H 3<5S+ 0 0 170 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.885 113.6 44.3 -61.1 -42.2 15.8 -10.5 25.1 42 43 A R T 3<5S- 0 0 137 -4,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.262 114.5-119.9 -87.9 11.8 17.1 -13.7 23.4 43 44 A N T < 5 + 0 0 145 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.776 63.4 143.5 54.2 35.2 14.1 -13.7 21.1 44 45 A I < - 0 0 60 -5,-2.8 -1,-0.2 -6,-0.1 2,-0.2 -0.879 59.1-109.5-102.4 132.3 12.7 -17.1 22.1 45 46 A T - 0 0 20 -2,-0.4 2,-0.8 201,-0.3 183,-0.1 -0.431 32.8-136.5 -61.9 128.7 8.9 -17.5 22.3 46 47 A A + 0 0 1 181,-0.4 183,-2.3 -2,-0.2 2,-0.5 -0.796 27.6 177.5 -95.8 107.3 8.0 -17.8 26.0 47 48 A I E -a 229 0A 0 -2,-0.8 30,-2.3 28,-0.3 31,-1.1 -0.923 20.7-155.7-111.1 130.7 5.4 -20.5 26.6 48 49 A I E -ab 230 78A 0 181,-3.5 183,-2.3 -2,-0.5 2,-0.4 -0.926 21.5-149.3-102.5 107.7 4.2 -21.4 30.1 49 50 A A E -ab 231 79A 0 29,-1.8 31,-2.5 -2,-0.8 2,-0.4 -0.671 10.7-150.4 -82.0 130.9 3.0 -25.0 29.7 50 51 A E E - b 0 80A 7 181,-2.5 2,-0.5 -2,-0.4 31,-0.2 -0.840 6.1-153.5-107.7 139.5 0.2 -25.9 32.0 51 52 A Y E + b 0 81A 4 29,-2.7 31,-1.9 -2,-0.4 2,-0.3 -0.948 30.2 144.8-111.3 121.8 -0.6 -29.3 33.4 52 53 A K - 0 0 30 -2,-0.5 37,-0.1 29,-0.1 9,-0.1 -0.918 34.0-157.9-156.3 129.4 -4.3 -30.1 34.4 53 54 A R S S+ 0 0 63 35,-0.7 8,-2.6 -2,-0.3 2,-0.3 0.809 80.8 15.5 -75.3 -34.8 -6.1 -33.4 34.1 54 55 A K B -I 60 0B 88 34,-1.1 6,-0.2 6,-0.2 33,-0.1 -0.869 60.4-167.8-136.4 165.6 -9.6 -32.0 34.0 55 56 A S > - 0 0 8 4,-1.4 3,-2.1 -2,-0.3 33,-0.1 -0.964 34.0-120.3-155.2 143.9 -11.3 -28.6 33.5 56 57 A P T 3 S+ 0 0 48 0, 0.0 32,-0.1 0, 0.0 -1,-0.0 0.723 111.9 64.7 -59.3 -19.3 -14.9 -27.4 34.1 57 58 A S T 3 S- 0 0 58 -3,-0.0 -3,-0.0 1,-0.0 0, 0.0 0.247 130.6 -82.0 -88.2 14.0 -15.1 -26.6 30.4 58 59 A G S < S+ 0 0 59 -3,-2.1 -1,-0.0 1,-0.3 0, 0.0 0.204 77.0 141.9 115.6 -22.1 -14.7 -30.3 29.4 59 60 A L + 0 0 3 -5,-0.0 -4,-1.4 1,-0.0 -1,-0.3 -0.270 13.1 164.8 -59.2 140.0 -11.0 -31.4 29.4 60 61 A D B +I 54 0B 113 -6,-0.2 2,-0.4 -8,-0.0 -6,-0.2 -0.700 11.6 155.1-159.0 98.3 -10.4 -34.9 30.7 61 62 A V - 0 0 24 -8,-2.6 2,-0.6 -2,-0.2 176,-0.1 -0.986 34.1-147.1-133.2 138.8 -6.9 -36.3 29.8 62 63 A E + 0 0 175 -2,-0.4 2,-0.3 174,-0.0 -2,-0.0 -0.939 39.9 144.1-105.4 115.5 -4.8 -39.0 31.5 63 64 A R - 0 0 80 -2,-0.6 -2,-0.1 0, 0.0 174,-0.0 -0.969 55.6-101.6-152.2 135.7 -1.1 -38.0 31.1 64 65 A D > - 0 0 81 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.428 24.7-149.0 -64.4 122.3 1.8 -38.6 33.4 65 66 A P H > S+ 0 0 15 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.881 94.6 48.0 -58.4 -42.2 2.7 -35.3 35.2 66 67 A I H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.936 114.6 43.4 -66.2 -48.0 6.4 -36.0 35.6 67 68 A E H > S+ 0 0 121 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.923 114.5 51.0 -64.2 -44.4 6.9 -37.1 32.0 68 69 A Y H X S+ 0 0 7 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.930 113.4 45.5 -56.7 -48.9 4.8 -34.2 30.7 69 70 A S H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.894 111.4 50.6 -63.5 -44.1 6.9 -31.7 32.8 70 71 A K H < S+ 0 0 96 -4,-2.6 4,-0.4 2,-0.2 -1,-0.2 0.836 113.6 46.8 -64.7 -33.9 10.3 -33.2 31.9 71 72 A F H >< S+ 0 0 33 -4,-2.0 3,-1.4 -5,-0.2 4,-0.4 0.947 113.4 46.9 -70.9 -50.2 9.3 -33.0 28.2 72 73 A M H >X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.3 3,-1.5 0.803 98.3 73.9 -60.5 -29.9 8.0 -29.4 28.4 73 74 A E T 3< S+ 0 0 49 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.779 87.5 61.0 -56.4 -29.4 11.1 -28.5 30.4 74 75 A R T <4 S+ 0 0 171 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.802 124.5 14.1 -68.3 -27.9 13.1 -28.7 27.1 75 76 A Y T <4 S+ 0 0 52 -3,-1.5 -28,-0.3 -4,-0.4 -2,-0.2 0.764 101.0 92.9-116.7 -39.1 11.0 -25.9 25.6 76 77 A A < - 0 0 1 -4,-3.2 -28,-0.2 1,-0.1 3,-0.1 -0.235 60.2-142.3 -68.9 148.1 8.9 -23.9 28.1 77 78 A V S S- 0 0 0 -30,-2.3 2,-0.3 1,-0.3 -29,-0.2 0.765 85.3 -27.9 -76.2 -24.8 9.8 -20.8 30.0 78 79 A G E -b 48 0A 0 -31,-1.1 -29,-1.8 26,-0.2 2,-0.3 -0.968 65.8-107.1-173.9 174.8 8.0 -22.2 33.0 79 80 A L E -bc 49 106A 0 26,-2.5 28,-3.1 -2,-0.3 2,-0.5 -0.892 13.0-151.4-120.7 150.9 5.2 -24.5 34.0 80 81 A S E -bc 50 107A 0 -31,-2.5 -29,-2.7 -2,-0.3 2,-0.5 -0.990 16.4-166.2-119.6 123.9 1.8 -23.9 35.5 81 82 A I E -bc 51 108A 0 26,-2.7 28,-2.9 -2,-0.5 2,-0.4 -0.954 15.0-137.2-117.4 124.8 0.4 -26.6 37.8 82 83 A L E + c 0 109A 5 -31,-1.9 9,-0.8 -2,-0.5 28,-0.2 -0.622 25.3 171.2 -76.3 130.7 -3.2 -26.8 38.8 83 84 A T + 0 0 0 26,-2.3 2,-0.3 -2,-0.4 9,-0.2 0.354 39.6 117.3-118.2 0.7 -3.6 -27.7 42.5 84 85 A E - 0 0 4 25,-0.7 6,-3.0 1,-0.1 4,-0.3 -0.567 50.6-160.5 -70.7 128.2 -7.3 -27.1 42.8 85 86 A E > + 0 0 103 -2,-0.3 4,-0.6 4,-0.3 -1,-0.1 0.883 69.7 45.2 -83.2 -43.9 -8.8 -30.4 43.7 86 87 A K T 4 S+ 0 0 124 2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.870 124.7 21.3 -75.1 -40.7 -12.6 -30.6 42.9 87 88 A Y T 4 S+ 0 0 43 -33,-0.1 -1,-0.1 1,-0.1 -2,-0.1 0.720 134.4 33.6-101.0 -25.8 -12.9 -29.1 39.4 88 89 A F T 4 S- 0 0 19 -4,-0.3 -34,-1.1 -33,-0.1 -35,-0.7 0.447 93.3-131.7-110.3 -2.5 -9.4 -29.5 38.0 89 90 A N < + 0 0 72 -4,-0.6 -4,-0.3 -36,-0.2 -36,-0.1 0.836 58.3 141.2 57.3 33.2 -8.4 -32.7 39.7 90 91 A G - 0 0 11 -6,-3.0 2,-0.3 -38,-0.1 -7,-0.3 -0.374 29.4-169.8 -95.9-178.9 -5.1 -31.2 40.9 91 92 A S > - 0 0 30 -9,-0.8 4,-1.4 -2,-0.1 -7,-0.1 -0.978 37.5-115.4-165.7 158.8 -3.3 -31.7 44.2 92 93 A Y H > S+ 0 0 17 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.842 114.0 61.9 -66.4 -34.1 -0.4 -30.5 46.3 93 94 A E H > S+ 0 0 96 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.892 102.3 50.3 -60.0 -41.2 1.3 -33.9 45.9 94 95 A T H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.928 110.2 48.7 -64.0 -45.6 1.5 -33.4 42.1 95 96 A L H X S+ 0 0 0 -4,-1.4 4,-2.9 1,-0.2 5,-0.2 0.926 111.8 51.5 -59.5 -44.7 3.1 -29.9 42.5 96 97 A R H X S+ 0 0 99 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.918 110.7 46.0 -59.2 -47.1 5.6 -31.4 44.9 97 98 A K H X S+ 0 0 110 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.916 115.4 47.0 -64.5 -43.1 6.6 -34.2 42.7 98 99 A I H >X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 3,-1.3 0.937 108.3 54.7 -64.4 -46.6 7.0 -31.9 39.6 99 100 A A H 3< S+ 0 0 1 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.803 108.3 50.1 -57.5 -31.3 8.9 -29.3 41.6 100 101 A S H 3< S+ 0 0 82 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.695 112.8 48.2 -80.6 -17.3 11.5 -31.9 42.6 101 102 A S H << S+ 0 0 44 -3,-1.3 2,-0.3 -4,-0.8 -2,-0.2 0.669 108.5 45.9 -97.4 -21.0 11.9 -33.1 39.0 102 103 A V < - 0 0 7 -4,-1.6 -32,-0.1 2,-0.1 4,-0.1 -0.838 56.1-152.8-123.1 162.3 12.4 -30.0 36.9 103 104 A S + 0 0 87 -2,-0.3 -4,-0.1 2,-0.1 3,-0.1 0.074 64.7 97.9-120.4 23.2 14.5 -26.9 37.3 104 105 A I S S- 0 0 6 1,-0.1 -26,-0.2 -74,-0.0 -2,-0.1 -0.709 88.5 -75.3-103.3 162.4 12.4 -24.3 35.4 105 106 A P - 0 0 0 0, 0.0 -26,-2.5 0, 0.0 2,-0.4 -0.247 45.7-151.4 -59.3 144.1 10.1 -21.8 37.2 106 107 A I E -c 79 0A 0 -76,-0.2 21,-2.8 -28,-0.2 22,-1.3 -0.970 5.8-159.4-121.9 128.4 6.8 -23.2 38.5 107 108 A L E -cd 80 128A 0 -28,-3.1 -26,-2.7 -2,-0.4 2,-0.6 -0.900 16.1-140.6-103.7 129.7 3.6 -21.2 38.9 108 109 A M E -cd 81 129A 0 20,-2.5 22,-1.2 -2,-0.5 2,-0.6 -0.843 17.3-157.5 -91.1 122.2 1.1 -22.7 41.3 109 110 A K E +c 82 0A 26 -28,-2.9 -26,-2.3 -2,-0.6 -25,-0.7 -0.898 38.9 110.8-107.9 116.3 -2.4 -22.3 39.8 110 111 A D S S- 0 0 2 -2,-0.6 2,-0.9 20,-0.2 20,-0.1 -0.829 76.2 -78.9-158.8-171.1 -5.3 -22.4 42.3 111 112 A F - 0 0 9 -2,-0.2 2,-0.6 -100,-0.1 20,-0.1 -0.801 50.3-162.5-108.8 87.4 -7.9 -20.0 43.8 112 113 A I + 0 0 2 -2,-0.9 20,-0.3 18,-0.5 3,-0.1 -0.624 31.9 146.2 -79.2 114.6 -5.8 -18.2 46.4 113 114 A V + 0 0 12 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.343 61.4 44.6-125.7 -2.0 -7.9 -16.4 49.1 114 115 A K S >> S- 0 0 50 1,-0.1 3,-1.1 -99,-0.1 4,-0.6 -0.993 78.4-116.1-147.4 153.0 -5.8 -16.8 52.2 115 116 A E H >> S+ 0 0 93 -2,-0.3 4,-1.9 1,-0.2 3,-0.9 0.790 106.7 66.9 -56.9 -35.7 -2.1 -16.5 53.3 116 117 A S H 3> S+ 0 0 29 1,-0.3 4,-2.7 2,-0.2 -95,-0.3 0.835 94.4 60.4 -59.2 -31.1 -1.7 -20.2 54.2 117 118 A Q H <> S+ 0 0 0 -3,-1.1 4,-2.4 2,-0.2 -1,-0.3 0.855 104.8 48.0 -64.8 -33.0 -2.1 -21.1 50.5 118 119 A I H S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 4,-1.1 0.925 113.3 45.4 -54.1 -48.1 3.0 -22.8 47.4 122 123 A Y H ><5S+ 0 0 70 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.935 115.0 45.5 -62.7 -47.8 6.4 -21.9 48.9 123 124 A N H 3<5S+ 0 0 37 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.796 110.6 54.9 -67.5 -28.6 6.8 -25.1 50.9 124 125 A L H 3<5S- 0 0 3 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.704 122.3-101.3 -76.9 -22.7 5.7 -27.2 48.0 125 126 A G T <<5 + 0 0 0 -4,-1.1 -19,-0.2 -3,-0.5 -3,-0.2 0.451 69.2 147.6 114.9 3.5 8.4 -25.8 45.7 126 127 A A < - 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0 0 51 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.468 37.1-105.1 -83.2 164.9 -11.5 -7.4 47.3 138 139 A E H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.886 121.3 50.8 -60.6 -38.8 -8.8 -4.7 46.8 139 140 A R H > S+ 0 0 205 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.932 112.3 47.0 -64.8 -44.0 -7.7 -4.9 50.4 140 141 A E H > S+ 0 0 52 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.921 111.7 50.8 -62.0 -45.5 -7.3 -8.7 50.2 141 142 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.902 110.5 49.0 -59.7 -44.9 -5.4 -8.5 46.9 142 143 A E H X S+ 0 0 95 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.884 113.0 47.2 -63.9 -39.6 -3.0 -5.9 48.2 143 144 A S H X S+ 0 0 66 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.935 114.0 46.2 -67.1 -48.4 -2.3 -8.0 51.4 144 145 A L H X S+ 0 0 9 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.870 111.6 52.4 -62.5 -39.5 -1.7 -11.2 49.4 145 146 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.953 112.6 44.9 -61.5 -49.2 0.5 -9.4 46.9 146 147 A E H X S+ 0 0 104 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.896 113.2 51.7 -61.9 -39.2 2.6 -8.1 49.8 147 148 A Y H >< S+ 0 0 53 -4,-2.7 3,-0.7 2,-0.2 4,-0.5 0.921 108.6 48.8 -64.6 -46.6 2.6 -11.5 51.4 148 149 A A H ><>S+ 0 0 0 -4,-2.9 5,-1.9 1,-0.2 3,-1.6 0.915 108.2 56.2 -59.7 -41.2 3.8 -13.3 48.3 149 150 A R H ><5S+ 0 0 51 -4,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.772 94.0 67.0 -63.6 -25.0 6.6 -10.7 47.9 150 151 A S T <<5S+ 0 0 88 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.684 101.2 49.4 -69.4 -16.4 7.9 -11.5 51.4 151 152 A Y T < 5S- 0 0 59 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.256 127.5-104.7 -99.8 7.7 8.9 -14.9 50.1 152 153 A G T < 5S+ 0 0 57 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.693 78.2 136.2 77.1 20.0 10.5 -13.2 47.1 153 154 A M < - 0 0 4 -5,-1.9 -1,-0.3 -6,-0.1 -2,-0.2 -0.776 46.7-152.9-100.5 144.3 7.7 -14.1 44.7 154 155 A E - 0 0 18 -2,-0.3 -121,-0.2 -27,-0.3 -122,-0.2 -0.937 28.5-142.3-111.6 104.5 6.2 -11.8 42.2 155 156 A P - 0 0 0 0, 0.0 2,-0.7 0, 0.0 20,-0.4 -0.283 11.1-117.2 -69.3 154.3 2.7 -13.2 41.7 156 157 A L E -e 130 0A 0 -27,-2.4 -25,-2.4 18,-0.1 2,-0.7 -0.817 30.1-152.5 -88.7 118.7 0.9 -13.3 38.4 157 158 A I E -ef 131 176A 0 18,-3.0 20,-2.4 -2,-0.7 2,-0.4 -0.859 9.1-146.1-100.8 117.0 -2.1 -11.0 38.8 158 159 A E E -ef 132 177A 6 -27,-2.9 -25,-1.8 -2,-0.7 -24,-0.4 -0.707 17.1-177.4 -91.8 128.4 -5.0 -12.0 36.5 159 160 A I E + f 0 178A 0 18,-2.8 20,-2.4 -2,-0.4 3,-0.1 -0.840 17.2 175.0-118.2 154.7 -7.4 -9.6 35.0 160 161 A N + 0 0 14 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.427 69.9 17.8-134.2 -13.1 -10.5 -10.2 32.8 161 162 A D S > S- 0 0 59 35,-0.0 4,-1.7 1,-0.0 -1,-0.3 -0.903 86.3 -88.4-150.8 178.6 -11.9 -6.7 32.5 162 163 A E H > S+ 0 0 91 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.833 121.3 53.9 -64.3 -36.3 -11.2 -3.0 32.8 163 164 A N H > S+ 0 0 87 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 107.1 53.0 -66.1 -37.9 -12.2 -2.8 36.4 164 165 A D H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.912 109.2 49.9 -60.0 -43.6 -9.7 -5.6 37.2 165 166 A L H X S+ 0 0 7 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.860 106.2 53.9 -64.5 -39.5 -6.9 -3.7 35.4 166 167 A D H X S+ 0 0 85 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.942 113.5 43.6 -60.5 -47.8 -7.6 -0.4 37.4 167 168 A I H X S+ 0 0 10 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.951 113.1 51.3 -62.1 -49.7 -7.3 -2.3 40.6 168 169 A A H <>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 -2,-0.2 0.889 114.1 44.1 -55.2 -42.6 -4.2 -4.3 39.4 169 170 A L H ><5S+ 0 0 63 -4,-2.7 3,-1.3 3,-0.2 -1,-0.2 0.912 111.2 54.1 -70.1 -42.0 -2.5 -1.1 38.4 170 171 A R H 3<5S+ 0 0 140 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.885 108.7 48.3 -59.6 -42.1 -3.5 0.8 41.6 171 172 A I T 3<5S- 0 0 12 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.418 120.2-108.3 -81.3 2.5 -2.0 -2.0 43.8 172 173 A G T < 5 - 0 0 36 -3,-1.3 -3,-0.2 -5,-0.2 2,-0.1 0.845 46.5-177.1 77.6 36.4 1.3 -1.9 41.8 173 174 A A < + 0 0 8 -5,-2.5 -1,-0.2 -6,-0.1 3,-0.1 -0.434 12.5 179.8 -66.7 136.4 1.1 -5.2 39.9 174 175 A R S S+ 0 0 141 -19,-0.3 31,-2.4 1,-0.2 2,-0.4 0.515 72.0 49.8-112.3 -10.6 4.3 -5.9 37.8 175 176 A F E S- g 0 205A 0 -20,-0.4 -18,-3.0 29,-0.2 2,-0.4 -0.943 72.9-178.3-135.9 104.0 3.3 -9.3 36.3 176 177 A I E -fg 157 206A 0 29,-2.5 31,-2.7 -2,-0.4 2,-0.5 -0.888 17.7-156.4-116.6 139.7 -0.2 -9.4 34.8 177 178 A G E -fg 158 207A 0 -20,-2.4 -18,-2.8 -2,-0.4 2,-0.8 -0.939 9.6-153.2-109.8 127.9 -2.2 -12.3 33.2 178 179 A I E -fg 159 208A 0 29,-2.8 31,-2.6 -2,-0.5 2,-0.6 -0.897 13.0-157.9-105.0 107.7 -4.9 -11.3 30.7 179 180 A N E - g 0 209A 8 -20,-2.4 31,-0.2 -2,-0.8 4,-0.1 -0.763 13.5-166.0 -91.1 117.0 -7.5 -14.1 30.7 180 181 A S S S+ 0 0 2 29,-2.5 9,-2.1 -2,-0.6 2,-0.5 0.643 72.8 78.6 -73.7 -14.8 -9.6 -14.3 27.6 181 182 A R B S-J 188 0C 53 28,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.860 80.5-134.0-102.8 128.7 -12.0 -16.6 29.5 182 183 A D > - 0 0 36 5,-2.9 4,-2.8 -2,-0.5 5,-0.3 -0.677 13.2-150.8 -76.2 114.6 -14.5 -15.3 32.0 183 184 A L T 4 S+ 0 0 19 -2,-0.7 -1,-0.2 1,-0.2 -175,-0.0 0.803 92.4 51.7 -58.4 -31.1 -14.1 -17.6 35.0 184 185 A E T 4 S+ 0 0 86 1,-0.1 -1,-0.2 3,-0.1 -177,-0.2 0.910 125.6 20.3 -75.1 -44.0 -17.7 -17.1 36.0 185 186 A T T 4 S- 0 0 66 2,-0.2 -2,-0.2 -3,-0.1 -1,-0.1 0.543 92.6-131.7-102.2 -9.8 -19.4 -17.9 32.6 186 187 A L < + 0 0 49 -4,-2.8 2,-0.3 1,-0.3 -3,-0.1 0.579 59.3 144.2 65.9 12.4 -16.6 -19.9 31.1 187 188 A E - 0 0 133 -5,-0.3 -5,-2.9 -6,-0.0 2,-0.3 -0.658 42.9-141.6 -83.9 135.3 -17.1 -17.7 27.9 188 189 A I B -J 181 0C 67 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.728 17.7-178.6 -96.3 145.5 -14.0 -16.7 25.9 189 190 A N > - 0 0 85 -9,-2.1 4,-1.6 -2,-0.3 -2,-0.0 -0.745 7.2-179.9-147.4 91.8 -13.7 -13.3 24.3 190 191 A K H > S+ 0 0 71 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.821 82.8 56.3 -61.3 -35.5 -10.5 -12.8 22.3 191 192 A E H > S+ 0 0 130 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.919 105.0 47.9 -67.3 -46.3 -11.5 -9.2 21.4 192 193 A N H > S+ 0 0 35 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 110.5 55.0 -61.3 -39.0 -11.9 -7.9 25.0 193 194 A Q H X S+ 0 0 2 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.925 107.0 49.5 -58.9 -45.6 -8.5 -9.6 25.8 194 195 A R H X S+ 0 0 43 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.875 109.3 51.7 -61.9 -39.9 -6.9 -7.6 22.9 195 196 A K H X S+ 0 0 74 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.931 111.7 46.6 -62.4 -47.7 -8.4 -4.3 24.1 196 197 A L H >X S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 4,-0.8 0.899 108.0 55.3 -62.3 -43.6 -7.1 -4.9 27.7 197 198 A I H >< S+ 0 0 4 -4,-2.5 3,-0.8 1,-0.3 -1,-0.2 0.889 105.5 54.3 -56.6 -39.3 -3.6 -5.9 26.5 198 199 A S H 3< S+ 0 0 88 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.631 104.3 54.6 -71.3 -15.8 -3.4 -2.6 24.6 199 200 A M H << S+ 0 0 81 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.602 85.0 106.5 -92.2 -13.8 -4.2 -0.6 27.8 200 201 A I S << S- 0 0 14 -3,-0.8 6,-0.1 -4,-0.8 -3,-0.0 -0.457 79.3-105.3 -76.0 135.0 -1.3 -2.1 29.9 201 202 A P > - 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