==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 08-AUG-11 3TC7 . COMPND 2 MOLECULE: INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS P2; . AUTHOR S.VOROBIEV,M.SU,S.BJELIC,Y.KIPNIS,L.WANG,J.SEETHARAMAN,S.SAH . 251 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11406.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 0 0.0 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 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 31.9 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 1 0 1 3 2 2 1 0 1 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 . 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 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 59 0, 0.0 135,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 173.6 35.1 -11.0 -20.7 2 3 A R - 0 0 85 133,-2.3 2,-0.4 1,-0.1 135,-0.1 -0.245 360.0 -75.4 -76.6 168.6 34.3 -12.4 -24.1 3 4 A Y + 0 0 248 -2,-0.0 2,-0.3 1,-0.0 -1,-0.1 -0.551 69.5 164.0 -64.6 123.3 32.1 -10.8 -26.7 4 5 A L - 0 0 30 -2,-0.4 2,-0.3 -3,-0.1 131,-0.0 -0.839 23.0-166.5-137.4 172.1 28.5 -11.2 -25.5 5 6 A K >> + 0 0 141 -2,-0.3 4,-1.7 0, 0.0 3,-0.7 -0.883 51.5 11.7-147.2 176.7 25.0 -9.8 -26.0 6 7 A G H 3> S- 0 0 49 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 -0.044 121.0 -9.6 54.9-142.5 21.6 -9.9 -24.4 7 8 A W H 3> S+ 0 0 57 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.834 134.9 54.0 -66.8 -33.0 21.2 -11.2 -20.8 8 9 A L H <> S+ 0 0 0 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.910 108.5 49.1 -69.2 -39.6 24.8 -12.6 -20.5 9 10 A E H X S+ 0 0 101 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.937 113.8 49.3 -58.8 -43.4 26.3 -9.2 -21.5 10 11 A D H X S+ 0 0 57 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.935 111.1 46.5 -62.0 -48.9 24.0 -7.7 -18.9 11 12 A V H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.857 109.8 54.7 -68.6 -32.4 24.9 -10.1 -16.1 12 13 A V H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.930 108.9 47.7 -63.8 -43.8 28.6 -9.7 -16.8 13 14 A Q H X S+ 0 0 84 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.896 112.6 49.9 -63.4 -38.7 28.4 -6.0 -16.4 14 15 A L H >< S+ 0 0 51 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.919 110.4 50.2 -63.6 -44.2 26.4 -6.4 -13.2 15 16 A S H >< S+ 0 0 3 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.849 100.8 61.7 -66.5 -35.0 29.0 -8.8 -11.9 16 17 A L H 3< S+ 0 0 62 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.798 109.8 44.2 -57.8 -26.4 31.9 -6.5 -12.7 17 18 A R T << S+ 0 0 170 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.253 80.4 130.9-104.7 11.0 30.2 -4.1 -10.2 18 19 A R < - 0 0 14 -3,-1.7 2,-0.1 1,-0.1 -3,-0.1 -0.493 62.3-119.6 -70.0 122.5 29.4 -6.6 -7.5 19 20 A P - 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.425 26.4-127.4 -67.0 135.3 30.6 -5.1 -4.1 20 21 A S - 0 0 48 -2,-0.1 2,-0.3 1,-0.1 97,-0.1 -0.263 23.6-127.0 -73.2 166.5 33.1 -7.3 -2.4 21 22 A V - 0 0 26 95,-0.3 102,-0.1 2,-0.1 -1,-0.1 -0.772 16.0-155.4-118.3 160.8 32.7 -8.4 1.2 22 23 A R + 0 0 196 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 -0.031 49.8 134.8-122.6 25.8 34.7 -8.4 4.5 23 24 A A - 0 0 29 97,-0.0 2,-0.4 1,-0.0 101,-0.1 -0.313 53.5-127.0 -56.1 159.2 33.0 -11.3 6.1 24 25 A S - 0 0 107 100,-0.1 2,-0.1 2,-0.0 99,-0.1 -0.967 18.7-111.6-120.8 135.2 35.5 -13.7 7.7 25 26 A R + 0 0 43 -2,-0.4 99,-0.1 1,-0.1 98,-0.1 -0.390 31.7 176.7 -69.9 136.5 35.7 -17.4 6.9 26 27 A Q + 0 0 99 -2,-0.1 -1,-0.1 2,-0.1 97,-0.1 -0.094 58.6 57.2-133.9 30.8 34.7 -19.7 9.8 27 28 A R S S- 0 0 38 99,-0.1 98,-0.1 76,-0.0 73,-0.0 -0.967 83.2-102.8-152.1 159.6 34.9 -23.2 8.2 28 29 A P - 0 0 93 0, 0.0 2,-0.7 0, 0.0 -2,-0.1 -0.201 39.9 -99.8 -72.7 174.4 37.7 -25.1 6.5 29 30 A I - 0 0 51 122,-0.1 2,-0.5 76,-0.0 98,-0.1 -0.898 42.0-172.2 -92.3 118.1 37.9 -25.7 2.8 30 31 A I - 0 0 54 -2,-0.7 2,-0.3 76,-0.1 76,-0.2 -0.961 25.4-115.5-115.1 131.9 36.6 -29.1 2.0 31 32 A S > - 0 0 33 -2,-0.5 4,-1.6 1,-0.2 5,-0.1 -0.425 20.7-169.6 -72.2 121.5 36.9 -30.4 -1.5 32 33 A L H > S+ 0 0 2 -2,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.923 90.9 49.6 -70.7 -46.0 33.8 -31.0 -3.5 33 34 A N H > S+ 0 0 3 121,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.895 111.9 49.1 -62.4 -36.8 35.6 -32.9 -6.3 34 35 A E H > S+ 0 0 120 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 109.2 51.0 -71.2 -37.2 37.3 -35.1 -3.8 35 36 A R H X S+ 0 0 60 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.870 107.7 55.3 -66.2 -34.1 34.1 -35.9 -1.9 36 37 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.941 108.0 47.1 -60.1 -47.4 32.6 -36.8 -5.3 37 38 A L H X S+ 0 0 57 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.872 110.2 54.3 -64.5 -34.8 35.4 -39.3 -6.0 38 39 A E H X S+ 0 0 82 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.941 108.5 47.9 -60.9 -49.0 34.9 -40.7 -2.4 39 40 A F H <>S+ 0 0 10 -4,-2.6 5,-2.6 1,-0.2 4,-0.5 0.907 108.9 55.0 -58.1 -43.8 31.2 -41.3 -3.1 40 41 A N H ><5S+ 0 0 23 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.933 109.3 46.8 -53.2 -48.4 32.1 -43.0 -6.4 41 42 A K H 3<5S+ 0 0 169 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.741 113.2 48.9 -68.1 -24.2 34.5 -45.4 -4.5 42 43 A R T 3<5S- 0 0 145 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.395 112.5-121.0 -92.2 -0.0 31.8 -46.0 -1.9 43 44 A N T < 5 + 0 0 138 -3,-1.3 2,-0.5 -4,-0.5 -3,-0.2 0.886 65.7 141.8 54.3 44.0 29.2 -46.7 -4.7 44 45 A I < - 0 0 51 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.2 -0.973 59.2-113.6-112.0 123.9 27.0 -43.8 -3.4 45 46 A T - 0 0 11 -2,-0.5 2,-0.9 201,-0.4 183,-0.1 -0.349 28.8-137.7 -58.6 130.1 25.3 -41.7 -6.0 46 47 A A + 0 0 0 181,-0.4 183,-2.3 30,-0.1 2,-0.5 -0.794 27.2 175.4-101.5 100.6 26.8 -38.2 -5.9 47 48 A I E -a 229 0A 0 -2,-0.9 30,-2.2 28,-0.4 31,-0.9 -0.902 19.9-154.4-107.3 123.8 24.1 -35.5 -6.3 48 49 A I E -ab 230 78A 1 181,-2.7 183,-2.3 -2,-0.5 2,-0.3 -0.887 19.8-150.6 -93.0 111.6 25.0 -31.9 -5.9 49 50 A A E -ab 231 79A 0 29,-1.9 31,-2.4 -2,-0.8 2,-0.4 -0.656 7.1-138.6 -85.2 139.5 21.8 -30.2 -4.8 50 51 A E E - b 0 80A 4 181,-1.8 2,-0.6 -2,-0.3 31,-0.2 -0.808 8.9-158.7 -99.5 135.1 21.2 -26.6 -5.8 51 52 A Y E + b 0 81A 15 29,-2.1 31,-2.6 -2,-0.4 2,-0.3 -0.971 32.0 149.5 -99.3 122.3 19.8 -23.8 -3.7 52 53 A K - 0 0 11 -2,-0.6 9,-0.1 29,-0.2 3,-0.1 -0.914 41.4-154.6-153.8 129.0 18.5 -21.1 -5.9 53 54 A R S S+ 0 0 104 35,-0.5 8,-2.7 29,-0.3 2,-0.3 0.837 86.7 0.2 -67.6 -33.8 15.6 -18.7 -5.3 54 55 A K - 0 0 54 34,-1.2 -1,-0.2 6,-0.2 6,-0.1 -0.985 57.9-164.1-154.2 153.5 15.1 -18.3 -9.1 55 56 A D > - 0 0 12 -2,-0.3 3,-2.0 3,-0.2 33,-0.1 -0.981 34.2-121.2-136.2 143.6 16.6 -19.5 -12.3 56 57 A P T 3 S+ 0 0 54 0, 0.0 32,-0.1 0, 0.0 -1,-0.0 0.790 118.2 48.4 -57.2 -22.7 16.0 -17.9 -15.7 57 58 A S T 3 S+ 0 0 55 2,-0.1 2,-0.3 -3,-0.0 -3,-0.0 -0.114 116.2 44.1-106.8 35.1 14.6 -21.3 -16.8 58 59 A G S < S- 0 0 21 -3,-2.0 2,-0.3 175,-0.0 -3,-0.2 -0.951 83.8 -89.5-160.0 178.2 12.4 -21.7 -13.7 59 60 A L - 0 0 130 -2,-0.3 2,-0.1 -5,-0.1 -2,-0.1 -0.685 48.6 -95.6 -97.2 153.7 9.9 -20.2 -11.3 60 61 A D - 0 0 61 -2,-0.3 2,-0.5 -6,-0.1 -6,-0.2 -0.431 36.4-161.7 -67.2 136.5 10.8 -18.4 -8.1 61 62 A V - 0 0 22 -8,-2.7 2,-0.8 -9,-0.1 176,-0.0 -0.993 7.0-161.8-122.4 128.3 10.6 -20.5 -5.0 62 63 A E + 0 0 119 -2,-0.5 2,-0.3 2,-0.0 -9,-0.0 -0.856 36.2 139.1-109.0 91.0 10.4 -18.9 -1.6 63 64 A R - 0 0 62 -2,-0.8 -2,-0.1 0, 0.0 3,-0.1 -0.880 64.2 -85.3-126.5 165.2 11.4 -21.5 0.9 64 65 A D > - 0 0 83 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 -0.571 37.4-160.2 -68.1 114.1 13.6 -21.5 4.1 65 66 A P H > S+ 0 0 30 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.829 87.3 51.9 -72.7 -29.5 17.1 -22.0 2.7 66 67 A I H > S+ 0 0 44 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.926 109.7 49.1 -69.0 -45.4 18.6 -23.2 6.0 67 68 A E H > S+ 0 0 118 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.897 113.6 47.7 -58.2 -43.5 15.9 -25.8 6.4 68 69 A Y H X S+ 0 0 4 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.940 111.7 49.1 -61.6 -49.6 16.5 -27.0 2.8 69 70 A A H X S+ 0 0 1 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.898 110.4 50.1 -61.7 -41.5 20.3 -27.1 3.3 70 71 A K H < S+ 0 0 107 -4,-2.6 4,-0.4 2,-0.2 -1,-0.2 0.878 109.8 51.2 -67.3 -36.2 20.1 -29.1 6.5 71 72 A F H >< S+ 0 0 36 -4,-1.8 3,-1.8 -5,-0.2 4,-0.3 0.950 108.2 52.7 -60.7 -47.7 17.8 -31.6 4.8 72 73 A M H >X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.3 3,-1.5 0.746 91.4 74.4 -65.6 -22.9 20.2 -31.9 1.9 73 74 A E T 3< S+ 0 0 65 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.784 91.8 58.9 -54.8 -27.9 23.1 -32.7 4.4 74 75 A R T <4 S+ 0 0 152 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.735 126.5 8.7 -71.2 -23.2 21.4 -36.1 4.7 75 76 A Y T <4 S+ 0 0 36 -3,-1.5 -28,-0.4 -4,-0.3 -2,-0.2 0.717 100.1 91.1-130.8 -40.0 21.8 -36.9 1.1 76 77 A A < - 0 0 0 -4,-3.1 -28,-0.2 1,-0.1 3,-0.1 -0.403 56.7-144.5 -82.0 148.2 23.8 -34.6 -1.1 77 78 A V S S- 0 0 0 -30,-2.2 2,-0.3 1,-0.2 -29,-0.2 0.753 84.4 -27.8 -74.5 -24.1 27.5 -34.8 -2.0 78 79 A G E -b 48 0A 0 -31,-0.9 -29,-1.9 26,-0.1 2,-0.4 -0.968 65.2-102.7-172.8 176.9 27.5 -31.0 -1.9 79 80 A L E -bc 49 106A 3 26,-2.7 28,-3.4 -2,-0.3 2,-0.6 -0.937 12.5-156.3-120.8 144.6 25.5 -27.8 -2.4 80 81 A F E -bc 50 107A 0 -31,-2.4 -29,-2.1 -2,-0.4 2,-0.6 -0.952 19.2-166.3-119.7 102.2 25.5 -25.4 -5.3 81 82 A I E -bc 51 108A 0 26,-2.7 28,-2.7 -2,-0.6 2,-0.6 -0.847 12.1-141.6-105.0 118.2 24.2 -22.0 -4.0 82 83 A S E + c 0 109A 3 -31,-2.6 9,-0.5 -2,-0.6 -29,-0.3 -0.649 25.8 168.9 -84.6 119.2 23.2 -19.4 -6.6 83 84 A T + 0 0 0 26,-2.4 9,-0.2 -2,-0.6 27,-0.2 0.433 32.5 122.1-110.0 -1.8 24.3 -15.8 -5.5 84 85 A E - 0 0 2 25,-0.7 6,-2.8 1,-0.1 4,-0.4 -0.445 50.6-151.7 -67.1 135.5 23.6 -13.8 -8.7 85 86 A E S S+ 0 0 102 4,-0.2 4,-0.3 3,-0.2 -1,-0.1 0.864 76.6 38.6 -81.9 -41.8 21.2 -11.0 -7.9 86 87 A K S S+ 0 0 112 2,-0.1 -1,-0.1 3,-0.1 -2,-0.0 0.877 127.6 22.6 -85.4 -41.3 19.2 -10.1 -11.0 87 88 A Y S S+ 0 0 51 1,-0.1 -2,-0.1 -33,-0.1 -1,-0.1 0.654 133.4 36.0-102.4 -22.7 18.4 -13.4 -12.7 88 89 A F S S- 0 0 6 -4,-0.4 -34,-1.2 -33,-0.1 -35,-0.5 0.377 95.6-131.3-112.3 3.1 18.8 -15.8 -9.8 89 90 A N + 0 0 58 -4,-0.3 -4,-0.2 -36,-0.2 -3,-0.1 0.835 55.1 160.4 52.8 36.4 17.4 -13.6 -7.1 90 91 A G - 0 0 12 -6,-2.8 2,-0.3 -37,-0.1 -7,-0.2 -0.258 31.4-157.6 -94.2 174.8 20.4 -14.5 -5.0 91 92 A S > - 0 0 42 -9,-0.5 4,-1.6 -3,-0.1 3,-0.2 -0.983 25.3-141.6-153.5 135.7 22.3 -13.1 -2.0 92 93 A Y H > S+ 0 0 19 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.833 107.7 59.5 -60.3 -33.5 25.7 -13.3 -0.5 93 94 A E H > S+ 0 0 85 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.863 100.8 52.9 -68.3 -33.6 24.0 -13.4 2.9 94 95 A T H > S+ 0 0 33 -3,-0.2 4,-2.4 2,-0.2 5,-0.2 0.930 110.4 47.9 -65.9 -43.8 22.1 -16.5 2.0 95 96 A L H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.945 112.3 50.3 -57.5 -47.8 25.3 -18.2 1.1 96 97 A R H X S+ 0 0 74 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.908 112.1 45.6 -60.1 -44.8 26.9 -17.0 4.3 97 98 A K H < S+ 0 0 109 -4,-2.5 4,-0.4 2,-0.2 -1,-0.2 0.894 114.3 47.8 -68.7 -39.9 24.1 -18.3 6.5 98 99 A I H >X S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 4,-1.0 0.934 110.8 51.6 -64.9 -44.3 23.9 -21.7 4.8 99 100 A A H 3< S+ 0 0 4 -4,-2.8 3,-0.5 1,-0.3 -1,-0.2 0.867 107.1 54.1 -60.7 -35.3 27.6 -22.1 5.0 100 101 A S T 3< S+ 0 0 89 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.600 112.0 46.9 -69.8 -12.5 27.4 -21.3 8.8 101 102 A S T <4 S+ 0 0 38 -3,-1.7 2,-0.3 -4,-0.4 -1,-0.2 0.555 107.1 49.6-111.4 -13.3 24.8 -24.1 9.1 102 103 A V < - 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0 0 109 1,-0.1 4,-2.0 31,-0.0 3,-0.3 -0.977 67.0-130.4-136.9 146.6 15.6 -40.3 -13.1 215 216 A R H > S+ 0 0 80 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.892 110.3 58.2 -57.8 -41.1 17.8 -42.9 -11.4 216 217 A N H > S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 106.2 47.9 -57.6 -41.9 18.0 -44.8 -14.6 217 218 A E H > S+ 0 0 25 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.905 109.6 53.8 -62.8 -45.0 19.5 -41.8 -16.4 218 219 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.913 109.5 46.6 -57.8 -44.6 22.0 -41.4 -13.6 219 220 A E H X S+ 0 0 71 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.903 110.9 52.9 -70.3 -37.2 23.2 -44.9 -13.8 220 221 A E H X S+ 0 0 82 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.2 0.937 112.0 45.9 -56.0 -48.1 23.4 -44.7 -17.6 221 222 A L H <>S+ 0 0 5 -4,-2.6 5,-2.5 1,-0.2 4,-0.2 0.856 107.3 57.0 -68.9 -35.4 25.6 -41.6 -17.2 222 223 A R H ><5S+ 0 0 67 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.923 105.7 51.6 -57.4 -44.3 27.7 -43.2 -14.5 223 224 A K H 3<5S+ 0 0 91 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.800 106.8 54.2 -63.4 -28.6 28.5 -46.0 -17.0 224 225 A L T 3<5S- 0 0 90 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.393 130.3 -95.6 -86.5 1.5 29.5 -43.3 -19.5 225 226 A G T < 5S+ 0 0 25 -3,-1.7 -19,-0.3 1,-0.3 -3,-0.2 0.361 72.3 147.7 106.4 -3.6 31.9 -41.8 -16.9 226 227 A V < - 0 0 0 -5,-2.5 -1,-0.3 1,-0.1 -19,-0.2 -0.472 26.9-167.5 -68.1 133.5 30.0 -39.0 -15.2 227 228 A N + 0 0 17 -21,-1.9 -181,-0.4 1,-0.2 2,-0.3 0.799 62.7 7.5 -92.4 -34.7 31.0 -38.7 -11.6 228 229 A A E - h 0 207A 0 -22,-1.8 -20,-2.2 -183,-0.1 2,-0.4 -0.955 61.9-134.0-149.8 167.4 28.3 -36.4 -10.1 229 230 A F E -ah 47 208A 0 -183,-2.3 -181,-2.7 -2,-0.3 2,-0.6 -0.982 7.8-146.9-135.3 120.2 25.0 -34.8 -11.0 230 231 A L E +ah 48 209A 2 -22,-2.9 -20,-0.8 -2,-0.4 2,-0.4 -0.775 23.1 177.0 -85.7 123.4 23.8 -31.3 -10.4 231 232 A I E +a 49 0A 5 -183,-2.3 -181,-1.8 -2,-0.6 -18,-0.1 -0.993 11.4 149.8-131.4 123.3 20.1 -31.2 -9.8 232 233 A G >> + 0 0 7 -2,-0.4 4,-2.3 -183,-0.2 3,-0.9 0.697 59.0 33.1-118.2 -86.1 18.4 -27.9 -9.0 233 234 A S H 3> S+ 0 0 47 1,-0.3 4,-1.6 2,-0.2 5,-0.2 0.838 113.5 57.9 -55.6 -38.9 14.8 -26.9 -9.7 234 235 A S H 3> S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.906 114.1 39.6 -58.0 -40.6 13.3 -30.4 -9.3 235 236 A L H <4 S+ 0 0 0 -3,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.812 107.6 61.6 -79.6 -32.8 14.7 -30.5 -5.7 236 237 A M H < S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.806 115.2 36.4 -60.6 -28.8 13.9 -26.8 -5.0 237 238 A R H < S+ 0 0 138 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.872 137.2 15.5 -91.5 -42.2 10.3 -27.8 -5.5 238 239 A N >< - 0 0 95 -4,-2.3 3,-2.3 -5,-0.2 4,-0.2 -0.716 64.9-176.6-135.7 84.6 10.2 -31.3 -4.0 239 240 A P T > S+ 0 0 24 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.814 79.1 65.4 -50.8 -37.2 13.3 -31.9 -1.9 240 241 A E T >> S+ 0 0 122 1,-0.3 3,-1.4 2,-0.2 4,-0.6 0.560 77.0 85.4 -71.4 -4.7 12.4 -35.6 -1.2 241 242 A K H <> S+ 0 0 117 -3,-2.3 4,-1.2 1,-0.2 -1,-0.3 0.747 76.8 71.3 -62.6 -20.5 12.8 -36.5 -4.8 242 243 A I H <> S+ 0 0 0 -3,-1.9 4,-1.5 -4,-0.2 -1,-0.2 0.786 84.7 68.1 -68.5 -23.6 16.5 -36.9 -3.9 243 244 A K H X> S+ 0 0 63 -3,-1.4 4,-3.1 1,-0.2 3,-0.5 0.954 102.3 42.2 -58.9 -53.8 15.6 -40.1 -2.0 244 245 A E H 3X S+ 0 0 41 -4,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.860 109.7 59.0 -62.8 -35.6 14.7 -42.1 -5.1 245 246 A L H 3< S+ 0 0 11 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.825 119.7 28.0 -65.3 -30.8 17.6 -40.7 -7.1 246 247 A I H << S+ 0 0 27 -4,-1.5 -201,-0.4 -3,-0.5 -2,-0.2 0.801 135.0 26.9 -96.2 -36.3 20.1 -42.1 -4.5 247 248 A E H < S- 0 0 125 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.2 0.603 99.7-122.5-106.9 -16.7 18.3 -45.1 -3.0 248 249 A G < - 0 0 28 -4,-1.9 2,-0.3 -5,-0.4 -1,-0.3 -0.301 34.5 -84.7 85.8 177.7 15.9 -46.3 -5.8 249 250 A S - 0 0 79 1,-0.1 -5,-0.0 -2,-0.1 0, 0.0 -0.885 7.7-151.2-127.6 150.2 12.2 -46.6 -5.3 250 251 A L 0 0 177 -2,-0.3 -1,-0.1 1,-0.0 -2,-0.0 0.761 360.0 360.0 -80.0 -29.1 9.6 -49.0 -4.0 251 252 A E 0 0 205 -3,-0.1 -2,-0.0 0, 0.0 -1,-0.0 0.996 360.0 360.0 -72.0 360.0 7.2 -47.4 -6.5