==== 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 ISOMERASE 22-JUN-09 3HYQ . COMPND 2 MOLECULE: ISOPENTENYL-DIPHOSPHATE DELTA-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR Y.KIM,M.ZHOU,S.PETERSON,W.F.ANDERSON,A.JOACHIMIAK . 151 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8543.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 20.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 . 8 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 0 0 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 31 A L 0 0 153 0, 0.0 3,-0.1 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 -29.6 18.2 19.2 16.9 2 32 A H + 0 0 144 1,-0.3 85,-1.8 84,-0.1 2,-0.4 0.883 360.0 134.7 62.9 40.3 21.0 16.6 16.9 3 33 A L B +a 87 0A 77 83,-0.2 -1,-0.3 37,-0.1 2,-0.2 -0.980 22.0 154.8-121.4 132.6 19.3 14.8 14.0 4 34 A A - 0 0 5 83,-1.9 2,-0.3 -2,-0.4 35,-0.2 -0.814 19.9-155.4-142.5 177.9 21.2 13.6 10.9 5 35 A F E -C 38 0B 1 33,-2.0 33,-2.1 -2,-0.2 2,-0.3 -0.986 3.9-150.9-153.3 162.4 20.8 11.0 8.2 6 36 A S E -Cd 37 90B 0 83,-1.9 85,-2.1 -2,-0.3 2,-0.4 -0.978 8.9-161.9-137.0 147.7 22.9 9.0 5.8 7 37 A C E -Cd 36 91B 0 29,-2.9 29,-1.9 -2,-0.3 2,-0.6 -0.999 9.7-162.4-133.5 131.6 22.0 7.6 2.4 8 38 A W E - d 0 92B 0 83,-2.5 85,-2.1 -2,-0.4 2,-0.4 -0.965 22.4-157.0-111.8 112.8 23.7 4.8 0.3 9 39 A L E - d 0 93B 0 -2,-0.6 8,-2.9 8,-0.5 2,-0.3 -0.812 9.1-169.2-101.0 131.7 22.5 5.2 -3.3 10 40 A F E -Ed 16 94B 3 83,-2.8 85,-2.7 -2,-0.4 6,-0.2 -0.845 12.1-137.3-118.8 152.3 22.6 2.4 -5.8 11 41 A N > - 0 0 26 4,-2.2 3,-1.9 -2,-0.3 85,-0.1 -0.403 39.3 -92.5 -97.3-179.4 22.0 2.2 -9.6 12 42 A E T 3 S+ 0 0 148 1,-0.3 -1,-0.0 2,-0.1 84,-0.0 0.754 125.5 59.1 -68.5 -20.3 20.0 -0.3 -11.6 13 43 A D T 3 S- 0 0 136 2,-0.1 -1,-0.3 1,-0.0 136,-0.0 0.372 120.3-110.0 -83.5 0.1 23.2 -2.4 -12.1 14 44 A G S < S+ 0 0 21 -3,-1.9 100,-0.4 1,-0.3 2,-0.2 0.581 70.7 142.7 82.9 11.2 23.5 -2.7 -8.3 15 45 A Q - 0 0 47 98,-0.1 -4,-2.2 99,-0.1 2,-0.4 -0.548 47.3-126.2 -83.1 150.4 26.5 -0.5 -8.0 16 46 A L E -EF 10 112B 0 96,-2.9 96,-3.0 -6,-0.2 2,-0.8 -0.812 15.7-127.1 -93.6 138.0 27.0 1.9 -5.0 17 47 A L E - F 0 111B 0 -8,-2.9 2,-0.5 -2,-0.4 -8,-0.5 -0.763 25.5-170.4 -87.4 108.7 27.6 5.7 -5.6 18 48 A V E - F 0 110B 8 92,-3.1 92,-2.5 -2,-0.8 2,-0.3 -0.894 11.2-161.2 -98.0 130.8 30.7 6.6 -3.6 19 49 A T E -GF 33 109B 4 14,-2.1 14,-3.0 -2,-0.5 2,-0.6 -0.841 16.7-140.2-114.1 156.5 31.2 10.4 -3.5 20 50 A R E -GF 32 108B 73 88,-2.7 87,-2.4 -2,-0.3 88,-1.0 -0.964 29.4-123.9-115.2 116.6 34.2 12.7 -2.7 21 51 A R E - F 0 106B 37 10,-2.7 9,-1.2 -2,-0.6 85,-0.3 -0.313 33.7-105.2 -58.0 138.2 33.2 15.7 -0.7 22 52 A S > - 0 0 3 83,-2.3 3,-1.1 7,-0.2 8,-0.8 -0.156 23.3-114.3 -60.4 163.9 34.2 19.0 -2.4 23 53 A L T 3 S+ 0 0 123 6,-0.2 -1,-0.1 1,-0.2 81,-0.1 0.689 113.0 62.9 -72.5 -17.0 37.2 21.0 -1.1 24 54 A S T 3 S+ 0 0 87 80,-0.1 -1,-0.2 3,-0.0 2,-0.2 0.480 73.0 113.9 -89.9 -0.4 34.8 23.8 -0.1 25 55 A K < - 0 0 46 -3,-1.1 80,-0.0 1,-0.2 -4,-0.0 -0.483 63.8-142.5 -65.2 137.0 32.9 21.8 2.5 26 56 A K S S+ 0 0 217 -2,-0.2 2,-0.4 2,-0.1 -1,-0.2 0.907 88.0 49.9 -64.7 -37.6 33.4 23.1 5.9 27 57 A A S S- 0 0 50 1,-0.2 -1,-0.1 -3,-0.0 -2,-0.0 -0.849 127.6 -14.3-110.5 132.1 33.4 19.6 7.4 28 58 A W S > S- 0 0 117 -2,-0.4 3,-1.2 1,-0.1 -1,-0.2 0.852 78.5-167.5 49.9 48.5 35.5 16.7 6.0 29 59 A P T 3 + 0 0 60 0, 0.0 -6,-0.2 0, 0.0 -7,-0.2 -0.401 66.0 14.1 -62.1 145.0 36.4 18.4 2.7 30 60 A G T 3 S+ 0 0 13 -9,-1.2 2,-0.4 -8,-0.8 -8,-0.1 0.623 92.9 135.2 74.3 12.6 38.0 16.1 -0.0 31 61 A V < - 0 0 32 -3,-1.2 -10,-2.7 -9,-0.2 2,-0.3 -0.796 56.2-123.9-102.8 139.6 37.0 12.9 1.7 32 62 A W E +Gh 20 128B 66 95,-0.5 97,-2.2 -2,-0.4 2,-0.3 -0.608 48.3 149.8 -78.8 136.5 35.6 9.8 0.0 33 63 A T E -G 19 0B 3 -14,-3.0 -14,-2.1 -2,-0.3 -1,-0.0 -0.889 47.7 -61.2-157.2 175.7 32.3 8.8 1.6 34 64 A N S S- 0 0 2 -2,-0.3 -26,-0.2 -16,-0.2 -16,-0.1 -0.260 70.7 -84.0 -70.1 171.1 28.8 7.1 1.2 35 65 A S S S- 0 0 0 -18,-0.4 2,-0.3 1,-0.1 -27,-0.2 0.791 96.9 -10.1 -54.1 -49.7 26.5 8.8 -1.3 36 66 A V E +C 7 0B 2 -29,-1.9 -29,-2.9 2,-0.0 2,-0.3 -0.995 54.2 178.5-150.0 143.6 24.9 11.6 0.8 37 67 A C E +C 6 0B 29 -2,-0.3 2,-0.3 -31,-0.2 -31,-0.2 -0.951 23.8 122.8-136.5 164.7 24.6 12.6 4.5 38 68 A G E -C 5 0B 13 -33,-2.1 -33,-2.0 -2,-0.3 12,-0.1 -0.981 47.6 -86.8 175.9-162.3 22.9 15.6 6.0 39 69 A H - 0 0 106 -2,-0.3 -35,-0.2 -35,-0.2 2,-0.1 -0.994 35.2-115.1-139.4 142.5 20.4 17.0 8.5 40 70 A P - 0 0 14 0, 0.0 -37,-0.1 0, 0.0 2,-0.1 -0.372 30.3-138.1 -73.2 154.5 16.6 17.7 8.2 41 71 A Q > - 0 0 93 1,-0.2 3,-1.7 4,-0.2 8,-0.1 -0.365 53.3 -31.9-104.7-170.3 15.5 21.3 8.3 42 72 A Q T 3 S- 0 0 159 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.153 126.3 -17.0 -50.3 121.3 12.5 22.8 10.1 43 73 A G T 3 S+ 0 0 93 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.856 100.1 139.1 51.5 41.9 9.6 20.3 10.3 44 74 A E < - 0 0 40 -3,-1.7 -1,-0.2 3,-0.0 2,-0.1 -0.931 50.9-125.0-113.0 138.9 11.0 18.2 7.5 45 75 A T > - 0 0 64 -2,-0.4 4,-2.2 1,-0.1 -4,-0.2 -0.379 24.6-113.7 -73.7 163.0 10.9 14.3 7.7 46 76 A T H > S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.916 119.7 51.4 -59.5 -46.1 14.1 12.3 7.3 47 77 A E H > S+ 0 0 86 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.928 108.8 50.3 -54.6 -50.3 12.9 11.0 4.0 48 78 A E H > S+ 0 0 102 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 109.9 51.0 -59.3 -43.3 12.1 14.5 2.7 49 79 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.874 109.3 50.5 -63.4 -40.5 15.6 15.7 3.7 50 80 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.930 111.6 47.1 -62.4 -50.1 17.2 12.7 1.9 51 81 A I H X S+ 0 0 64 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.934 113.6 49.8 -55.5 -43.8 15.2 13.4 -1.3 52 82 A R H X S+ 0 0 54 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.930 114.3 42.8 -63.4 -46.5 16.1 17.2 -1.0 53 83 A R H X>S+ 0 0 49 -4,-2.7 4,-2.9 2,-0.2 5,-0.5 0.853 111.7 53.5 -75.5 -30.6 19.9 16.6 -0.5 54 84 A C H X5S+ 0 0 0 -4,-2.7 4,-1.6 -5,-0.2 6,-1.6 0.934 112.6 45.7 -65.2 -41.8 20.1 13.9 -3.2 55 85 A R H X5S+ 0 0 119 -4,-2.2 4,-1.2 -5,-0.3 -2,-0.2 0.933 119.7 40.2 -65.0 -42.7 18.5 16.3 -5.7 56 86 A F H <5S+ 0 0 100 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.933 124.4 33.5 -76.5 -43.6 20.7 19.2 -4.6 57 87 A E H <5S+ 0 0 16 -4,-2.9 45,-2.6 -5,-0.2 49,-0.2 0.844 136.8 20.1 -79.2 -37.2 24.1 17.5 -4.2 58 88 A L H < +I 90 0B 46 21,-1.6 21,-1.4 75,-0.1 3,-1.3 -0.456 63.3 168.0-157.9 74.0 20.6 1.0 10.1 70 100 A P T 3 S+ 0 0 70 0, 0.0 18,-0.1 0, 0.0 -1,-0.0 0.797 76.4 53.1 -67.2 -25.3 17.9 2.8 12.1 71 101 A H T 3 S+ 0 0 170 16,-0.1 2,-0.1 18,-0.1 -2,-0.0 0.350 76.3 129.2 -93.2 4.9 19.9 2.8 15.4 72 102 A F < - 0 0 5 -3,-1.3 16,-2.9 16,-0.1 2,-0.4 -0.380 33.6-175.9 -66.9 137.8 23.1 4.3 14.1 73 103 A S E -B 87 0A 63 14,-0.3 2,-0.6 -2,-0.1 14,-0.2 -0.988 17.7-141.6-132.2 140.6 24.4 7.3 16.1 74 104 A Y E -B 86 0A 30 12,-2.3 12,-1.4 -2,-0.4 2,-0.6 -0.910 15.6-170.4-108.8 119.9 27.4 9.3 15.2 75 105 A R E +B 85 0A 147 -2,-0.6 2,-0.4 10,-0.2 10,-0.2 -0.936 7.3 179.5-112.2 116.4 29.6 10.5 18.1 76 106 A A E -B 84 0A 29 8,-2.7 8,-2.9 -2,-0.6 2,-0.4 -0.965 7.0-169.0-120.9 134.0 32.3 13.0 17.4 77 107 A T E -B 83 0A 86 -2,-0.4 6,-0.2 6,-0.2 -2,-0.0 -0.963 12.4-142.2-119.4 139.6 34.8 14.5 19.8 78 108 A D > - 0 0 64 4,-2.0 3,-2.2 -2,-0.4 6,-0.0 -0.330 42.2 -85.8 -84.6 174.3 37.1 17.5 19.2 79 109 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.621 130.2 50.1 -55.0 -18.3 40.7 17.8 20.5 80 110 A N T 3 S- 0 0 145 2,-0.1 3,-0.1 0, 0.0 -3,-0.0 0.270 121.2-105.7-101.6 4.8 39.4 19.3 23.8 81 111 A G < + 0 0 50 -3,-2.2 2,-0.4 1,-0.3 -4,-0.0 0.652 64.6 155.6 82.1 15.3 36.9 16.5 24.3 82 112 A I - 0 0 98 1,-0.0 -4,-2.0 2,-0.0 2,-0.4 -0.648 34.5-144.4 -72.5 126.0 33.8 18.5 23.4 83 113 A V E - B 0 77A 58 -2,-0.4 2,-0.5 -6,-0.2 -6,-0.2 -0.752 20.1-166.7-106.2 139.8 31.3 15.9 22.3 84 114 A E E - B 0 76A 138 -8,-2.9 -8,-2.7 -2,-0.4 2,-0.4 -0.996 11.5-176.7-119.6 124.4 28.7 16.0 19.6 85 115 A N E + B 0 75A 84 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.979 8.9 162.6-118.5 134.6 26.1 13.2 19.6 86 116 A E E - B 0 74A 47 -12,-1.4 -12,-2.3 -2,-0.4 2,-0.2 -0.994 39.8-117.3-149.3 145.3 23.4 12.8 16.9 87 117 A V E -aB 3 73A 70 -85,-1.8 -83,-1.9 -2,-0.3 -14,-0.3 -0.592 32.1-177.2 -73.5 145.2 21.1 10.1 15.8 88 118 A C - 0 0 6 -16,-2.9 -83,-0.2 -2,-0.2 -16,-0.1 -0.518 7.6-163.3-146.3 71.0 21.9 9.3 12.2 89 119 A P - 0 0 24 0, 0.0 -83,-1.9 0, 0.0 2,-0.4 -0.301 17.2-135.7 -55.9 141.5 19.6 6.6 10.7 90 120 A V E -dI 6 69B 1 -21,-1.4 -22,-3.1 -85,-0.2 -21,-1.6 -0.872 23.2-175.9-108.5 138.6 21.0 5.1 7.6 91 121 A F E -dI 7 67B 15 -85,-2.1 -83,-2.5 -2,-0.4 2,-0.3 -0.888 17.6-144.6-128.7 153.0 19.0 4.4 4.4 92 122 A A E +dI 8 66B 0 -26,-2.8 -26,-2.8 -2,-0.3 2,-0.3 -0.888 25.6 174.4-108.7 153.2 19.5 2.8 1.0 93 123 A A E -d 9 0B 0 -85,-2.1 -83,-2.8 -2,-0.3 2,-0.4 -0.965 26.9-119.7-150.5 167.7 17.9 4.1 -2.1 94 124 A R E -dI 10 63B 17 -31,-2.7 -31,-2.2 -2,-0.3 2,-0.3 -0.907 24.0-127.0-113.5 135.4 17.8 3.6 -5.9 95 125 A A E + I 0 62B 17 -85,-2.7 -33,-0.3 -2,-0.4 -83,-0.1 -0.623 24.0 179.5 -78.2 138.2 18.7 6.3 -8.4 96 126 A T + 0 0 82 -35,-2.9 2,-0.3 -2,-0.3 -34,-0.2 0.349 62.5 41.3-120.8 0.4 16.0 6.8 -11.1 97 127 A S S S- 0 0 50 -36,-0.7 2,-0.1 0, 0.0 -37,-0.0 -0.906 93.0 -82.6-141.9 169.4 17.6 9.6 -13.2 98 128 A V - 0 0 113 -2,-0.3 2,-0.1 1,-0.1 -37,-0.1 -0.435 54.4-101.2 -70.7 149.2 21.0 10.5 -14.6 99 129 A L + 0 0 27 -39,-0.1 -40,-0.2 -2,-0.1 2,-0.2 -0.469 33.3 179.9 -69.4 143.9 23.5 12.3 -12.2 100 130 A Q - 0 0 141 -42,-2.5 2,-0.1 -2,-0.1 -40,-0.1 -0.742 26.2-155.9-138.2 78.2 23.9 16.1 -12.5 101 131 A V - 0 0 35 -2,-0.2 2,-0.9 -42,-0.1 -43,-0.3 -0.351 12.7-130.9 -71.1 137.2 26.4 16.5 -9.7 102 132 A N >> - 0 0 35 -45,-2.6 4,-2.5 1,-0.2 3,-2.1 -0.773 13.3-155.0 -85.6 111.6 26.8 19.9 -7.9 103 133 A S T 34 S+ 0 0 94 -2,-0.9 -1,-0.2 1,-0.3 -46,-0.0 0.698 90.6 63.7 -65.3 -17.7 30.5 20.6 -7.9 104 134 A E T 34 S+ 0 0 129 1,-0.1 -1,-0.3 -82,-0.1 -80,-0.1 0.692 117.4 29.4 -73.5 -16.9 30.2 22.9 -4.9 105 135 A E T <4 S+ 0 0 26 -3,-2.1 -83,-2.3 1,-0.3 2,-0.4 0.774 129.0 28.4-107.1 -42.5 29.1 19.8 -2.9 106 136 A V E < -F 21 0B 6 -4,-2.5 -1,-0.3 -85,-0.3 -85,-0.2 -0.996 50.9-176.2-133.3 124.6 30.8 16.8 -4.6 107 137 A X E S- 0 0 74 -87,-2.4 2,-0.3 -2,-0.4 -86,-0.1 0.603 73.0 -1.0 -98.2 -13.9 34.2 17.0 -6.5 108 138 A D E -F 20 0B 67 -88,-1.0 -88,-2.7 2,-0.0 2,-0.3 -0.970 61.1-177.4-164.9 167.7 34.3 13.4 -7.7 109 139 A Y E -F 19 0B 90 -2,-0.3 2,-0.4 -90,-0.3 -90,-0.2 -0.966 7.7-158.5-173.4 155.0 32.4 10.1 -7.5 110 140 A Q E -F 18 0B 112 -92,-2.5 -92,-3.1 -2,-0.3 2,-0.7 -0.998 20.2-134.1-143.8 134.2 32.5 6.5 -8.6 111 141 A W E +F 17 0B 69 -2,-0.4 2,-0.3 -94,-0.2 -94,-0.2 -0.855 44.9 173.7 -83.7 119.2 29.9 3.8 -9.1 112 142 A S E -F 16 0B 34 -96,-3.0 -96,-2.9 -2,-0.7 2,-0.2 -0.961 39.8 -99.9-135.1 149.0 31.5 0.8 -7.4 113 143 A E > - 0 0 95 -2,-0.3 4,-2.2 -98,-0.2 3,-0.5 -0.431 31.8-135.6 -65.6 131.8 30.7 -2.7 -6.4 114 144 A F H > S+ 0 0 13 -100,-0.4 4,-2.6 1,-0.2 5,-0.2 0.892 103.8 57.0 -58.2 -41.8 29.7 -2.7 -2.8 115 145 A K H > S+ 0 0 134 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.890 108.4 48.1 -54.7 -39.0 31.8 -5.9 -2.1 116 146 A S H > S+ 0 0 52 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.915 109.9 51.0 -68.8 -45.2 34.9 -4.0 -3.4 117 147 A V H X S+ 0 0 11 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.928 109.1 51.4 -60.1 -42.1 34.2 -0.9 -1.3 118 148 A W H X S+ 0 0 45 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.893 103.1 59.6 -64.4 -35.2 33.9 -3.1 1.8 119 149 A K H X S+ 0 0 144 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.949 111.1 41.6 -56.3 -44.0 37.3 -4.7 1.0 120 150 A S H X S+ 0 0 53 -4,-1.9 4,-2.7 1,-0.2 7,-0.2 0.841 108.9 56.7 -76.3 -33.1 38.8 -1.2 1.2 121 151 A L H < S+ 0 0 5 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.875 113.6 43.1 -63.0 -34.0 36.9 -0.1 4.3 122 152 A L H < S+ 0 0 113 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.919 120.9 39.0 -70.6 -49.1 38.3 -3.2 6.1 123 153 A A H < S+ 0 0 76 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.902 137.0 10.3 -74.3 -44.5 41.9 -2.8 4.8 124 154 A T >< + 0 0 44 -4,-2.7 3,-2.3 -5,-0.2 -1,-0.2 -0.508 64.9 163.5-137.9 72.1 42.3 1.0 4.9 125 155 A P G > S+ 0 0 47 0, 0.0 3,-1.9 0, 0.0 8,-0.2 0.817 72.8 69.7 -61.5 -30.6 39.4 2.5 6.8 126 156 A W G 3 S+ 0 0 203 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.0 0.622 85.0 69.5 -65.0 -10.2 41.3 5.8 7.2 127 157 A A G < S+ 0 0 41 -3,-2.3 -95,-0.5 -7,-0.2 -1,-0.3 0.431 102.6 49.5 -85.5 2.3 41.0 6.4 3.4 128 158 A F B < S-h 32 0B 38 -3,-1.9 -95,-0.2 -4,-0.1 -97,-0.0 -0.828 102.5 -73.2-133.9 170.1 37.2 7.1 3.9 129 159 A S > - 0 0 0 -97,-2.2 4,-2.0 -2,-0.3 5,-0.2 -0.329 41.9-123.7 -63.8 148.9 34.9 9.1 6.1 130 160 A P H > S+ 0 0 37 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.864 110.7 52.0 -67.5 -30.0 34.6 7.8 9.7 131 161 A W H > S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.866 105.6 54.6 -74.7 -33.2 30.8 7.5 9.5 132 162 A X H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.962 111.8 45.1 -59.7 -47.9 31.1 5.5 6.2 133 163 A V H X S+ 0 0 28 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.947 114.8 48.0 -58.7 -46.2 33.4 3.0 8.0 134 164 A X H < S+ 0 0 72 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.798 111.9 49.1 -68.7 -32.4 31.1 2.9 11.2 135 165 A Q H >< S+ 0 0 1 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.932 114.3 43.6 -69.3 -49.1 27.9 2.4 9.2 136 166 A A H 3< S+ 0 0 0 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.689 103.4 68.4 -72.3 -17.7 29.3 -0.5 7.1 137 167 A S T 3< S+ 0 0 63 -4,-1.4 2,-0.5 -5,-0.2 -1,-0.2 0.662 75.3 94.0 -78.8 -17.2 31.0 -2.1 10.1 138 168 A D S <> S- 0 0 53 -3,-1.0 4,-2.7 -4,-0.4 5,-0.2 -0.648 74.1-144.4 -73.4 122.7 27.7 -3.1 11.7 139 169 A E H > S+ 0 0 89 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.902 95.5 47.6 -58.3 -44.1 27.0 -6.6 10.5 140 170 A Q H > S+ 0 0 92 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.946 113.9 46.3 -65.9 -45.0 23.3 -6.3 10.1 141 171 A A H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.913 111.6 52.5 -63.3 -39.5 23.5 -3.0 8.2 142 172 A R H X S+ 0 0 57 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.929 109.2 49.3 -65.5 -40.3 26.2 -4.4 6.0 143 173 A E H X S+ 0 0 82 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.916 110.7 50.6 -60.5 -41.2 24.0 -7.4 5.1 144 174 A R H < S+ 0 0 98 -4,-2.2 4,-0.5 -76,-0.2 -2,-0.2 0.945 113.4 45.2 -62.3 -45.7 21.1 -5.1 4.4 145 175 A L H >< S+ 0 0 2 -4,-2.8 3,-1.0 1,-0.2 4,-0.5 0.923 111.3 52.0 -63.3 -43.0 23.3 -3.0 2.1 146 176 A L H 3< S+ 0 0 74 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.849 120.2 35.5 -63.3 -32.1 24.8 -6.1 0.4 147 177 A N T 3X S+ 0 0 65 -4,-1.9 4,-0.6 -5,-0.2 -1,-0.2 0.285 88.1 100.6-104.3 7.2 21.3 -7.4 -0.3 148 178 A Y T X4 S+ 0 0 14 -3,-1.0 3,-1.2 -4,-0.5 -1,-0.1 0.936 80.1 49.8 -63.9 -44.0 19.4 -4.2 -1.0 149 179 A C T 34 S+ 0 0 29 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.767 111.7 48.7 -70.8 -25.5 19.4 -4.4 -4.8 150 180 A Q T 34 0 0 168 -3,-0.2 -1,-0.3 -4,-0.1 -2,-0.2 0.456 360.0 360.0 -93.4 -3.1 18.1 -7.9 -4.8 151 181 A R << 0 0 220 -3,-1.2 -3,-0.1 -4,-0.6 -2,-0.1 0.527 360.0 360.0 61.9 360.0 15.3 -7.2 -2.3