==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 26-JAN-01 1HZT . COMPND 2 MOLECULE: ISOPENTENYL DIPHOSPHATE DELTA-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.DURBECQ,G.SAINZ,Y.OUDJAMA,B.CLANTIN,C.BOMPARD-GILLES, . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8131.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 105 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 20.3 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 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 21.6 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 0 1 1 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 . 1 1 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 . 2 0 3 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 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 0 157 0, 0.0 2,-0.3 0, 0.0 85,-0.2 0.000 360.0 360.0 360.0 145.1 63.8 23.7 -5.5 2 32 A H E -a 86 0A 129 83,-1.2 85,-2.8 37,-0.0 2,-0.4 -0.930 360.0-119.7-127.4 151.2 61.2 21.3 -4.1 3 33 A L E +a 87 0A 114 -2,-0.3 2,-0.3 83,-0.2 85,-0.2 -0.743 45.7 143.6 -92.1 135.4 57.5 21.0 -4.5 4 34 A A - 0 0 3 83,-2.2 2,-0.3 -2,-0.4 35,-0.3 -0.865 29.0-146.7-152.7-175.9 55.3 21.2 -1.3 5 35 A F E -C 38 0B 0 33,-2.2 33,-1.8 -2,-0.3 2,-0.3 -0.976 2.1-153.0-156.8 161.5 52.0 22.5 -0.0 6 36 A S E -Cd 37 90B 2 83,-1.8 85,-2.6 -2,-0.3 2,-0.4 -0.985 12.2-163.7-138.8 146.1 50.5 23.9 3.2 7 37 A S E -Cd 36 91B 0 29,-3.5 29,-1.9 -2,-0.3 2,-0.5 -0.994 12.9-154.7-138.3 144.3 46.9 23.8 4.4 8 38 A W E - d 0 92B 1 83,-2.3 85,-1.8 -2,-0.4 2,-0.4 -0.977 20.9-158.0-115.1 119.4 44.9 25.7 7.0 9 39 A L E - d 0 93B 0 -2,-0.5 8,-2.8 8,-0.5 2,-0.3 -0.841 10.9-177.2-106.4 138.1 41.8 23.7 8.2 10 40 A F E -Ed 16 94B 0 83,-2.3 85,-2.5 -2,-0.4 6,-0.2 -0.903 19.5-131.0-125.9 152.8 38.7 25.1 9.8 11 41 A N > - 0 0 23 4,-1.9 3,-1.5 -2,-0.3 141,-0.1 -0.370 40.9 -90.2 -93.7-178.5 35.7 23.3 11.3 12 42 A A T 3 S+ 0 0 51 1,-0.3 140,-2.9 83,-0.2 -1,-0.1 0.832 126.4 59.4 -60.9 -32.2 32.0 24.2 10.5 13 43 A K T 3 S- 0 0 158 138,-0.2 -1,-0.3 1,-0.1 138,-0.1 0.587 119.4-109.5 -73.4 -10.8 32.0 26.6 13.4 14 44 A G < + 0 0 6 -3,-1.5 100,-0.4 1,-0.3 2,-0.2 0.531 69.1 144.0 95.2 5.8 34.8 28.6 11.9 15 45 A Q - 0 0 59 98,-0.1 -4,-1.9 99,-0.1 2,-0.3 -0.529 46.8-126.1 -78.5 146.3 37.5 27.6 14.4 16 46 A L E -EF 10 112B 0 96,-3.1 96,-2.8 -6,-0.2 2,-0.7 -0.741 12.5-134.5 -95.0 139.9 41.1 27.1 13.1 17 47 A L E - F 0 111B 0 -8,-2.8 18,-0.6 -2,-0.3 -8,-0.5 -0.843 23.5-174.9 -95.3 115.4 43.0 23.9 13.7 18 48 A V E -GF 34 110B 7 92,-2.8 92,-2.4 -2,-0.7 2,-0.3 -0.879 8.4-163.0-107.3 143.6 46.6 24.6 14.8 19 49 A T E -GF 33 109B 5 14,-2.1 14,-3.1 -2,-0.4 2,-0.5 -0.880 16.9-136.5-128.4 159.9 48.9 21.6 15.3 20 50 A R E -GF 32 108B 73 88,-2.6 87,-2.6 -2,-0.3 88,-0.9 -0.968 29.2-122.5-116.9 122.6 52.2 20.9 17.0 21 51 A R E - F 0 106B 34 10,-2.6 9,-1.1 -2,-0.5 85,-0.2 -0.329 35.0-101.9 -63.2 139.8 54.8 18.8 15.0 22 52 A A > - 0 0 5 83,-2.2 3,-1.6 7,-0.2 8,-0.6 -0.207 24.0-117.9 -62.0 153.2 55.9 15.6 16.7 23 53 A L T 3 S+ 0 0 125 1,-0.3 -1,-0.1 6,-0.3 81,-0.1 0.701 112.7 60.7 -64.4 -20.9 59.3 15.5 18.4 24 54 A S T 3 S+ 0 0 94 80,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.505 76.1 118.7 -86.3 -5.9 60.4 12.8 16.0 25 55 A K < - 0 0 52 -3,-1.6 80,-0.1 1,-0.1 3,-0.0 -0.358 64.9-136.3 -63.2 140.1 60.0 15.0 12.9 26 56 A K S S+ 0 0 162 2,-0.1 2,-0.4 1,-0.1 -1,-0.1 0.913 88.3 38.7 -63.7 -45.9 63.2 15.6 11.0 27 57 A A S S- 0 0 7 1,-0.2 -1,-0.1 52,-0.0 -2,-0.0 -0.897 129.1 -7.4-113.0 140.3 62.6 19.3 10.4 28 58 A W S > S- 0 0 16 -2,-0.4 3,-1.2 1,-0.1 -7,-0.2 0.876 79.7-169.0 47.5 49.7 61.1 21.7 12.9 29 59 A P T 3 + 0 0 53 0, 0.0 -6,-0.3 0, 0.0 -7,-0.2 -0.398 66.6 14.1 -68.9 145.7 60.1 19.0 15.5 30 60 A G T 3 S+ 0 0 13 -9,-1.1 2,-0.4 -8,-0.6 -8,-0.1 0.647 94.5 138.0 67.4 17.3 57.9 20.1 18.4 31 61 A V < - 0 0 32 -3,-1.2 -10,-2.6 -9,-0.2 2,-0.3 -0.764 55.4-123.0-100.0 139.0 57.0 23.4 16.6 32 62 A W E +Gh 20 128B 72 95,-0.5 97,-2.1 -2,-0.4 2,-0.2 -0.606 48.4 148.5 -76.8 137.9 53.5 24.9 16.5 33 63 A T E -G 19 0B 3 -14,-3.1 -14,-2.1 -2,-0.3 2,-0.0 -0.860 46.6 -61.0-156.0-176.7 52.2 25.4 13.0 34 64 A N E -G 18 0B 1 -2,-0.2 -16,-0.1 -16,-0.2 -26,-0.1 -0.268 69.0 -81.9 -72.7 168.9 49.2 25.5 10.6 35 65 A S S S- 0 0 0 -18,-0.6 2,-0.3 -26,-0.1 -27,-0.2 0.797 94.6 -16.9 -37.5 -62.8 47.1 22.4 10.1 36 66 A V E +C 7 0B 2 -29,-1.9 -29,-3.5 -17,-0.0 2,-0.3 -0.976 52.7 174.8-150.7 161.5 49.1 20.4 7.6 37 67 A C E +C 6 0B 25 -2,-0.3 2,-0.3 -31,-0.3 -31,-0.2 -0.944 18.6 131.4-164.7 149.8 51.8 20.6 5.0 38 68 A G E -C 5 0B 9 -33,-1.8 -33,-2.2 -2,-0.3 12,-0.1 -0.842 47.2 -74.6-174.6-159.0 53.6 18.1 2.8 39 69 A H - 0 0 96 -2,-0.3 -35,-0.2 -35,-0.3 2,-0.1 -0.996 36.3-122.4-130.8 136.4 54.8 17.3 -0.5 40 70 A P - 0 0 24 0, 0.0 2,-0.2 0, 0.0 -37,-0.1 -0.360 30.8-112.2 -74.6 158.8 52.9 16.0 -3.6 41 71 A Q > - 0 0 112 4,-0.2 3,-3.0 -2,-0.1 8,-0.1 -0.607 42.6 -86.9 -89.6 153.8 53.7 12.7 -5.3 42 72 A L T 3 S+ 0 0 192 1,-0.3 -1,-0.0 -2,-0.2 0, 0.0 0.723 123.5 16.8 -23.1 -63.8 55.3 12.6 -8.8 43 73 A G T 3 S+ 0 0 87 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.061 102.5 112.4-111.6 36.0 52.0 12.7 -10.7 44 74 A E < - 0 0 41 -3,-3.0 2,-0.1 1,-0.0 3,-0.0 -0.834 64.8-120.0-109.3 143.9 49.6 13.9 -8.0 45 75 A S > - 0 0 46 -2,-0.3 4,-1.7 1,-0.1 -4,-0.2 -0.377 23.7-118.3 -76.1 159.6 47.8 17.2 -7.9 46 76 A N H > S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.894 115.3 55.2 -63.9 -39.6 48.4 19.6 -5.0 47 77 A E H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 108.8 46.0 -60.3 -45.1 44.7 19.3 -4.1 48 78 A D H > S+ 0 0 90 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.825 109.2 56.1 -69.1 -29.8 44.9 15.5 -3.9 49 79 A A H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.903 106.5 50.2 -67.3 -40.8 48.1 15.7 -1.9 50 80 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.952 111.9 47.6 -60.8 -49.4 46.3 18.0 0.7 51 81 A I H X S+ 0 0 43 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.914 112.8 49.7 -57.7 -44.5 43.4 15.5 0.9 52 82 A R H X S+ 0 0 62 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.908 113.3 43.9 -62.7 -45.8 45.9 12.6 1.3 53 83 A R H X>S+ 0 0 44 -4,-2.7 4,-3.1 2,-0.2 5,-0.6 0.831 108.4 57.3 -72.3 -31.9 48.0 14.2 4.1 54 84 A C H X5S+ 0 0 0 -4,-2.4 6,-1.7 -5,-0.2 4,-1.3 0.907 112.1 43.8 -63.9 -37.9 44.9 15.4 6.0 55 85 A R H X5S+ 0 0 127 -4,-1.7 4,-1.0 4,-0.3 -2,-0.2 0.911 117.1 46.4 -70.9 -41.3 43.8 11.7 6.1 56 86 A Y H <5S+ 0 0 119 -4,-2.2 -2,-0.2 2,-0.2 -3,-0.2 0.924 124.8 26.1 -68.8 -47.5 47.3 10.5 7.0 57 87 A E H <5S+ 0 0 15 -4,-3.1 45,-2.2 1,-0.1 49,-0.2 0.831 139.9 20.4 -87.4 -33.2 48.3 12.9 9.7 58 88 A L H < +I 90 0B 37 21,-1.2 21,-1.4 72,-0.1 3,-1.2 -0.431 64.3 166.4-162.6 72.5 48.3 31.7 -1.9 70 100 A P T 3 S+ 0 0 78 0, 0.0 21,-0.0 0, 0.0 -1,-0.0 0.810 75.5 52.0 -63.4 -33.5 49.5 30.0 -5.1 71 101 A D T 3 S+ 0 0 103 18,-0.1 2,-0.3 16,-0.1 17,-0.0 0.222 74.6 135.6 -91.9 14.5 52.7 31.9 -5.5 72 102 A F < + 0 0 6 -3,-1.2 16,-2.8 16,-0.1 2,-0.3 -0.471 25.3 170.3 -68.6 125.0 54.1 31.3 -2.0 73 103 A R E -B 87 0A 174 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.967 5.6-179.8-131.4 148.3 57.7 30.3 -2.1 74 104 A Y E -B 86 0A 17 12,-2.1 12,-2.5 -2,-0.3 2,-0.4 -0.995 25.7-167.0-156.1 147.1 60.1 30.1 0.9 75 105 A R E +B 85 0A 187 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.947 30.9 160.3-132.0 104.5 63.6 29.3 1.9 76 106 A A E -B 84 0A 14 8,-1.8 8,-2.9 -2,-0.4 2,-0.5 -0.915 30.0-139.7-126.1 155.8 63.9 28.8 5.7 77 107 A T E -B 83 0A 83 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.974 17.5-136.8-123.1 120.3 66.5 27.0 7.9 78 108 A D > - 0 0 9 4,-2.7 3,-1.9 -2,-0.5 -51,-0.0 -0.034 40.4 -83.3 -71.0 168.0 65.5 24.9 11.0 79 109 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -52,-0.0 0.607 126.6 46.1 -53.9 -14.9 67.3 25.0 14.4 80 110 A S T 3 S- 0 0 98 2,-0.1 3,-0.1 0, 0.0 -2,-0.1 0.143 125.6 -91.3-118.0 25.8 70.2 22.6 13.4 81 111 A G S < S+ 0 0 48 -3,-1.9 2,-0.2 1,-0.3 0, 0.0 0.378 74.1 149.4 89.3 -2.8 71.0 24.2 10.0 82 112 A I - 0 0 60 -5,-0.1 -4,-2.7 1,-0.0 2,-0.4 -0.493 34.1-153.0 -64.9 127.8 68.7 22.0 7.9 83 113 A V E - B 0 77A 78 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.862 12.3-166.5-110.5 139.7 67.7 24.3 5.0 84 114 A E E + B 0 76A 40 -8,-2.9 -8,-1.8 -2,-0.4 2,-0.4 -0.992 9.0 178.4-129.9 129.7 64.5 24.1 2.9 85 115 A N E + B 0 75A 53 -2,-0.4 -83,-1.2 -10,-0.2 2,-0.3 -0.990 25.4 154.2-128.6 116.3 63.7 25.8 -0.4 86 116 A E E -aB 2 74A 10 -12,-2.5 -12,-2.1 -2,-0.4 2,-0.6 -0.985 51.2-124.6-149.4 158.0 60.3 25.1 -1.8 87 117 A V E -aB 3 73A 43 -85,-2.8 -83,-2.2 -2,-0.3 -14,-0.2 -0.903 41.9-178.2 -94.2 121.8 57.4 26.2 -4.0 88 118 A C - 0 0 2 -16,-2.8 -83,-0.2 -2,-0.6 -16,-0.1 -0.604 14.3-164.1-133.2 77.9 54.6 25.9 -1.5 89 119 A P - 0 0 13 0, 0.0 -83,-1.8 0, 0.0 2,-0.4 -0.303 21.4-136.0 -58.4 141.9 51.0 26.7 -2.7 90 120 A V E -dI 6 69B 0 -21,-1.4 -22,-2.5 -85,-0.2 -21,-1.2 -0.831 22.2-174.8-107.8 140.4 48.7 27.3 0.3 91 121 A F E -dI 7 67B 2 -85,-2.6 -83,-2.3 -2,-0.4 2,-0.3 -0.858 12.3-156.7-129.4 162.9 45.2 26.0 0.7 92 122 A A E +dI 8 66B 0 -26,-1.7 -26,-3.0 -2,-0.3 2,-0.3 -0.980 21.4 158.4-136.8 145.8 42.3 26.3 3.1 93 123 A A E -d 9 0B 0 -85,-1.8 -83,-2.3 -2,-0.3 2,-0.4 -0.970 35.6-111.0-158.9 168.8 39.4 23.8 3.7 94 124 A R E -d 10 0B 26 -2,-0.3 -31,-2.3 -85,-0.2 -83,-0.2 -0.862 30.9-121.2-107.8 142.8 36.8 22.8 6.2 95 125 A T B -J 62 0C 19 -85,-2.5 -33,-0.3 -2,-0.4 -83,-0.2 -0.544 21.4-173.2 -79.0 149.7 36.9 19.5 8.1 96 126 A T + 0 0 90 -35,-2.7 2,-0.3 -2,-0.2 -34,-0.2 0.313 66.6 35.5-124.2 4.0 33.8 17.2 7.5 97 127 A S S S- 0 0 50 -36,-0.7 2,-0.1 0, 0.0 -37,-0.0 -0.899 94.1 -77.9-147.1 173.1 34.6 14.5 10.1 98 128 A A - 0 0 84 -2,-0.3 -37,-0.1 1,-0.1 2,-0.1 -0.421 51.6-103.7 -76.2 152.7 36.2 14.1 13.5 99 129 A L - 0 0 35 -2,-0.1 2,-0.3 -39,-0.1 -40,-0.2 -0.451 27.3-169.9 -74.8 148.6 40.0 14.2 13.9 100 130 A Q - 0 0 153 -42,-2.8 2,-0.1 -2,-0.1 -40,-0.1 -0.853 25.9-138.0-138.5 96.6 41.9 10.9 14.5 101 131 A I - 0 0 62 -2,-0.3 2,-0.9 -42,-0.1 -43,-0.2 -0.331 9.3-150.4 -68.0 133.2 45.5 11.9 15.3 102 132 A N >> - 0 0 31 -45,-2.2 4,-2.4 -2,-0.1 3,-2.1 -0.883 10.3-161.2 -98.7 103.0 48.5 10.2 14.0 103 133 A D T 34 S+ 0 0 122 -2,-0.9 -1,-0.1 1,-0.3 -46,-0.1 0.491 83.7 71.8 -68.8 -0.4 51.1 10.7 16.8 104 134 A D T 34 S+ 0 0 97 1,-0.1 -1,-0.3 -82,-0.1 3,-0.1 0.634 117.3 21.5 -83.6 -13.6 54.0 9.9 14.5 105 135 A E T <4 S+ 0 0 24 -3,-2.1 -83,-2.2 1,-0.3 2,-0.4 0.708 126.1 42.7-118.8 -38.4 53.3 13.3 12.9 106 136 A V E < +F 21 0B 4 -4,-2.4 -1,-0.3 -85,-0.2 -85,-0.2 -0.969 45.4 176.8-122.7 125.6 51.3 15.4 15.5 107 137 A M E S- 0 0 70 -87,-2.6 2,-0.3 -2,-0.4 -86,-0.1 0.564 73.2 -4.1-100.9 -11.2 52.0 15.7 19.2 108 138 A D E -F 20 0B 76 -88,-0.9 -88,-2.6 2,-0.0 2,-0.3 -0.968 60.4-173.1-169.6 163.8 49.3 18.3 20.1 109 139 A Y E -F 19 0B 88 -2,-0.3 2,-0.3 -90,-0.3 -90,-0.2 -0.981 6.6-156.0-162.6 164.6 46.7 20.5 18.6 110 140 A Q E -F 18 0B 112 -92,-2.4 -92,-2.8 -2,-0.3 2,-0.6 -0.986 15.9-140.2-151.7 136.7 44.2 23.2 19.4 111 141 A W E +F 17 0B 67 -2,-0.3 2,-0.3 -94,-0.2 -94,-0.2 -0.888 44.5 164.4 -94.7 120.6 40.9 24.5 17.9 112 142 A C E -F 16 0B 28 -96,-2.8 -96,-3.1 -2,-0.6 2,-0.4 -0.841 44.6 -94.0-134.8 172.4 41.2 28.3 18.2 113 143 A D >> - 0 0 93 -2,-0.3 4,-1.8 -98,-0.2 3,-0.7 -0.745 33.2-134.9 -86.6 132.2 39.7 31.5 17.0 114 144 A L H 3> S+ 0 0 7 -2,-0.4 4,-2.9 -100,-0.4 5,-0.3 0.876 102.3 62.3 -54.1 -42.0 41.7 32.8 14.0 115 145 A A H 3> S+ 0 0 57 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.880 106.1 45.6 -53.6 -41.2 41.7 36.4 15.4 116 146 A D H <> S+ 0 0 96 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.900 111.0 51.9 -70.3 -41.4 43.7 35.1 18.4 117 147 A V H X S+ 0 0 16 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.908 109.9 49.7 -62.5 -40.8 46.1 33.1 16.3 118 148 A L H X S+ 0 0 20 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.882 109.3 51.7 -66.2 -35.9 46.8 36.1 14.2 119 149 A H H X S+ 0 0 126 -4,-1.6 4,-1.9 -5,-0.3 -1,-0.2 0.888 111.8 47.4 -66.6 -37.2 47.4 38.2 17.3 120 150 A G H X S+ 0 0 21 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.910 111.0 50.4 -69.1 -42.4 49.9 35.6 18.5 121 151 A I H < S+ 0 0 2 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.883 113.1 46.6 -63.0 -38.1 51.6 35.4 15.2 122 152 A D H < S+ 0 0 84 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.866 119.4 39.2 -73.9 -34.0 52.0 39.1 15.0 123 153 A A H < S+ 0 0 74 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.900 133.8 14.6 -82.3 -44.6 53.3 39.5 18.6 124 154 A T >< + 0 0 47 -4,-3.0 3,-2.1 -5,-0.2 -1,-0.2 -0.526 64.0 163.4-133.5 67.6 55.6 36.4 19.0 125 155 A P G > S+ 0 0 53 0, 0.0 3,-1.7 0, 0.0 8,-0.2 0.773 71.5 70.8 -56.2 -27.4 56.3 35.0 15.5 126 156 A W G 3 S+ 0 0 202 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.0 0.628 86.0 66.6 -65.7 -14.5 59.2 33.0 16.9 127 157 A A G < S+ 0 0 38 -3,-2.1 -95,-0.5 -7,-0.2 -1,-0.3 0.408 102.3 54.5 -87.6 3.3 56.8 30.7 18.7 128 158 A F B < S-h 32 0B 42 -3,-1.7 -95,-0.2 -97,-0.1 -97,-0.0 -0.839 98.7 -79.3-132.7 167.9 55.6 29.3 15.4 129 159 A S > - 0 0 0 -97,-2.1 4,-1.8 -2,-0.3 3,-0.2 -0.370 42.1-123.7 -64.2 144.8 56.8 27.7 12.2 130 160 A P H > S+ 0 0 38 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.866 109.5 52.3 -61.3 -34.7 58.3 30.3 9.8 131 161 A W H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.860 105.3 54.7 -71.7 -32.4 55.9 29.3 7.0 132 162 A M H > S+ 0 0 0 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.944 113.0 44.2 -62.5 -44.9 52.8 29.6 9.1 133 163 A V H X S+ 0 0 24 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.939 113.9 47.6 -64.4 -49.7 53.9 33.2 9.9 134 164 A M H X S+ 0 0 66 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.888 114.9 47.0 -60.8 -39.8 54.9 34.1 6.4 135 165 A Q H >< S+ 0 0 2 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.931 112.3 48.4 -68.1 -45.5 51.6 32.7 5.0 136 166 A A H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.683 107.6 56.9 -69.0 -19.2 49.4 34.4 7.6 137 167 A T H 3< S+ 0 0 72 -4,-1.4 2,-0.5 -5,-0.2 -1,-0.2 0.573 79.4 102.6 -89.7 -10.1 51.1 37.8 7.1 138 168 A N S S+ 0 0 157 -2,-0.5 4,-1.6 1,-0.2 -1,-0.1 0.883 98.3 44.9 -51.8 -48.5 47.4 40.3 3.0 140 170 A E H > S+ 0 0 89 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.908 114.8 47.5 -65.8 -43.5 45.5 38.3 0.4 141 171 A A H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.903 109.1 54.6 -64.7 -41.2 46.0 35.0 2.2 142 172 A R H X S+ 0 0 61 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.868 104.5 54.8 -61.5 -37.6 44.9 36.5 5.5 143 173 A K H X S+ 0 0 125 -4,-1.6 4,-1.5 -5,-0.2 -1,-0.2 0.873 108.1 48.9 -64.4 -37.4 41.7 37.7 3.9 144 174 A R H X S+ 0 0 102 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.891 108.8 52.5 -69.6 -38.9 40.9 34.1 2.7 145 175 A L H >< S+ 0 0 1 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.921 107.3 53.6 -61.3 -40.8 41.6 32.7 6.2 146 176 A S H >< S+ 0 0 68 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.880 102.4 58.1 -61.0 -37.7 39.2 35.3 7.6 147 177 A A H >< S+ 0 0 42 -4,-1.5 3,-1.1 1,-0.3 -1,-0.2 0.820 99.1 59.3 -62.7 -30.5 36.5 34.1 5.2 148 178 A F T << S+ 0 0 20 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.444 87.8 74.7 -79.3 1.1 36.7 30.5 6.6 149 179 A T T < S+ 0 0 54 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.536 70.7 113.0 -89.1 -5.6 35.8 31.7 10.1 150 180 A Q S < S- 0 0 119 -3,-1.1 2,-0.3 -4,-0.2 -136,-0.1 -0.372 80.4-106.4 -66.0 141.8 32.2 32.1 9.0 151 181 A L - 0 0 102 -138,-0.1 2,-0.6 -137,-0.1 -138,-0.2 -0.550 35.7-156.4 -69.8 128.5 29.7 29.7 10.6 152 182 A K 0 0 105 -140,-2.9 -138,-0.1 -2,-0.3 -1,-0.0 -0.918 360.0 360.0-115.1 111.1 28.7 27.1 8.1 153 183 A L 0 0 192 -2,-0.6 -140,-0.0 -140,-0.1 -2,-0.0 -0.713 360.0 360.0 -95.3 360.0 25.4 25.3 8.6