==== 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 LYASE 22-JUL-04 1U3P . COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNT . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.STEINBACHER,J.KAISER,J.WUNGSINTAWEEKUL,S.HECHT,W.EISENREIC . 155 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7564.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 18.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 7 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.6 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 2 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 1 A M 0 0 175 0, 0.0 2,-0.4 0, 0.0 154,-0.2 0.000 360.0 360.0 360.0 135.4 29.3 35.5 29.2 2 2 A R E -A 154 0A 113 152,-3.0 152,-2.6 2,-0.0 2,-0.3 -0.922 360.0-144.2-125.4 147.5 26.2 34.4 27.3 3 3 A I E -A 153 0A 138 -2,-0.4 2,-0.3 150,-0.2 150,-0.2 -0.849 17.3-176.1-108.9 145.6 25.1 31.2 25.8 4 4 A G E -A 152 0A 6 148,-2.3 148,-1.6 -2,-0.3 2,-0.4 -0.957 8.1-161.6-139.6 157.3 23.1 30.7 22.6 5 5 A H E -A 151 0A 104 41,-0.3 2,-0.3 -2,-0.3 146,-0.2 -0.996 8.5-179.2-142.3 140.3 21.6 27.8 20.6 6 6 A G E -A 150 0A 3 144,-2.4 144,-1.7 -2,-0.4 2,-0.3 -0.848 4.6-175.8-134.6 165.0 20.4 27.4 17.1 7 7 A F E +A 149 0A 104 -2,-0.3 2,-0.3 142,-0.2 142,-0.2 -0.937 7.1 171.4-161.2 140.8 18.9 24.8 14.9 8 8 A D E -A 148 0A 33 140,-2.1 140,-2.0 -2,-0.3 2,-0.3 -0.997 10.5-169.6-156.0 151.9 17.9 24.6 11.2 9 9 A V E -A 147 0A 48 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.974 3.5-174.7-141.2 146.2 16.7 22.1 8.5 10 10 A H E -A 146 0A 32 136,-1.8 136,-2.2 -2,-0.3 2,-0.2 -0.991 22.9-124.5-144.7 140.2 16.4 22.4 4.7 11 11 A A E -A 145 0A 49 21,-0.5 21,-3.5 -2,-0.3 134,-0.3 -0.550 28.5-109.7 -84.4 151.0 14.9 19.9 2.2 12 12 A F E +D 31 0B 23 132,-2.1 19,-0.3 19,-0.3 2,-0.3 -0.503 51.7 147.3 -76.7 149.1 16.8 18.6 -0.8 13 13 A G E + 0 0 18 17,-2.3 17,-0.4 -2,-0.2 2,-0.0 -0.865 39.7 7.0-179.6 144.1 15.6 19.8 -4.2 14 14 A G E S- 0 0 56 -2,-0.3 16,-0.8 15,-0.1 2,-0.2 -0.278 98.7 -35.0 75.4-164.2 16.8 20.7 -7.6 15 15 A E E S-D 29 0B 168 14,-0.3 14,-0.3 1,-0.1 16,-0.2 -0.611 76.3 -97.8 -94.3 155.1 20.4 20.1 -8.8 16 16 A G + 0 0 28 12,-1.9 14,-0.2 11,-0.5 2,-0.2 -0.030 68.5 102.3 -75.6-172.8 23.4 20.4 -6.6 17 17 A P - 0 0 36 0, 0.0 14,-0.3 0, 0.0 2,-0.2 0.594 53.7-149.7 -78.7-178.9 25.9 21.5 -5.3 18 18 A I E -E 25 0C 3 7,-3.1 7,-2.5 12,-0.2 2,-0.5 -0.651 8.5-131.7-109.5 168.9 24.8 22.6 -1.8 19 19 A I E +E 24 0C 44 17,-0.3 2,-0.4 5,-0.2 20,-0.2 -0.968 31.9 167.4-125.6 111.1 26.3 25.4 0.2 20 20 A I E > S-E 23 0C 0 3,-2.3 3,-1.4 -2,-0.5 18,-0.1 -0.982 71.6 -7.1-128.4 119.5 27.1 24.4 3.8 21 21 A G T 3 S- 0 0 0 -2,-0.4 95,-0.2 1,-0.3 94,-0.2 0.773 129.1 -59.3 69.8 24.6 29.2 26.7 6.0 22 22 A G T 3 S+ 0 0 19 1,-0.3 2,-0.3 93,-0.1 -1,-0.3 0.160 112.7 120.0 89.1 -17.7 29.9 28.9 3.0 23 23 A V E < -E 20 0C 15 -3,-1.4 -3,-2.3 1,-0.1 2,-1.0 -0.613 65.3-130.9 -87.6 137.3 31.5 26.0 1.1 24 24 A R E -E 19 0C 182 -2,-0.3 -5,-0.2 -5,-0.2 -1,-0.1 -0.770 31.0-169.1 -85.3 103.1 30.0 24.9 -2.2 25 25 A I E -E 18 0C 0 -7,-2.5 -7,-3.1 -2,-1.0 2,-0.2 -0.884 21.4-121.7-100.6 125.8 29.8 21.1 -1.7 26 26 A P + 0 0 97 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.466 45.8 152.7 -68.2 130.4 29.1 18.9 -4.8 27 27 A Y - 0 0 38 -2,-0.2 -11,-0.5 1,-0.2 -2,-0.0 -0.977 52.1-115.7-154.2 155.4 26.0 16.8 -4.4 28 28 A E S S+ 0 0 130 -2,-0.3 -12,-1.9 -13,-0.1 2,-0.2 0.973 101.9 29.5 -56.7 -61.4 23.4 15.2 -6.7 29 29 A K E S-D 15 0B 56 -14,-0.3 -14,-0.3 1,-0.1 -15,-0.1 -0.482 79.1-142.2 -95.7 165.5 20.5 17.2 -5.4 30 30 A G E - 0 0 2 -16,-0.8 -17,-2.3 -17,-0.4 2,-0.4 -0.328 26.9 -87.3-110.8-160.6 20.6 20.7 -3.9 31 31 A L E -D 12 0B 26 -14,-0.3 2,-0.4 -19,-0.3 -19,-0.3 -0.962 29.1-130.5-122.2 130.6 18.7 22.4 -1.0 32 32 A L + 0 0 94 -21,-3.5 -21,-0.5 -2,-0.4 2,-0.3 -0.621 48.8 125.2 -78.1 128.4 15.4 24.2 -1.2 33 33 A A - 0 0 47 -2,-0.4 37,-0.1 2,-0.2 -23,-0.0 -0.978 65.5-117.0-173.8 162.5 15.3 27.6 0.4 34 34 A H S S+ 0 0 57 -2,-0.3 36,-4.0 35,-0.1 37,-0.3 0.841 110.1 31.0 -73.8 -39.2 14.5 31.4 0.1 35 35 A S S S- 0 0 20 34,-0.3 35,-0.2 35,-0.3 37,-0.2 0.021 127.4 -65.5 -94.6-150.2 18.2 32.2 0.7 36 36 A D - 0 0 39 35,-2.0 -17,-0.3 34,-0.1 -5,-0.2 0.412 66.3-125.1 -82.3 0.9 21.0 29.9 -0.4 37 37 A G + 0 0 0 1,-0.2 2,-1.6 34,-0.2 3,-0.1 0.707 44.5 170.6 63.8 25.0 19.7 27.5 2.2 38 38 A D > - 0 0 0 1,-0.2 4,-2.0 -20,-0.1 3,-0.3 -0.478 11.5-173.1 -69.5 87.2 23.0 27.2 4.0 39 39 A V H > S+ 0 0 0 -2,-1.6 4,-2.3 -20,-0.2 5,-0.2 0.892 77.7 57.9 -49.7 -45.1 21.7 25.2 7.0 40 40 A A H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.917 110.0 40.9 -55.3 -50.4 25.1 25.4 8.8 41 41 A L H > S+ 0 0 1 -3,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.826 110.0 57.0 -74.0 -28.3 25.2 29.1 8.9 42 42 A H H X S+ 0 0 15 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.968 110.3 45.9 -65.7 -45.3 21.5 29.7 9.7 43 43 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.939 113.9 47.9 -61.3 -45.8 22.0 27.6 12.8 44 44 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 3,-0.3 0.955 110.9 53.3 -59.1 -46.1 25.2 29.4 13.7 45 45 A T H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.3 3,-0.5 0.949 109.3 46.3 -53.5 -55.9 23.5 32.7 13.1 46 46 A D H X S+ 0 0 28 -4,-2.7 4,-2.8 1,-0.2 -41,-0.3 0.801 108.8 56.8 -57.7 -33.0 20.5 31.9 15.4 47 47 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 -3,-0.3 105,-0.3 0.899 112.1 41.4 -65.6 -40.7 22.9 30.7 18.1 48 48 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 -3,-0.5 -2,-0.2 0.956 117.2 46.0 -70.3 -52.6 24.7 34.1 18.0 49 49 A L H <>S+ 0 0 0 -4,-2.9 5,-2.9 1,-0.2 6,-0.4 0.926 112.9 54.8 -55.7 -42.8 21.5 36.1 17.8 50 50 A G H ><5S+ 0 0 29 -4,-2.8 3,-1.5 -5,-0.3 -1,-0.2 0.930 107.5 45.7 -56.9 -51.0 20.2 33.9 20.6 51 51 A A H 3<5S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.878 113.8 50.4 -62.7 -34.9 23.1 34.5 23.0 52 52 A A T 3<5S- 0 0 0 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.470 112.4-122.8 -81.2 0.2 22.9 38.2 22.3 53 53 A A T < 5S+ 0 0 55 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.867 73.9 129.7 59.3 38.3 19.1 38.1 22.9 54 54 A L < - 0 0 38 -5,-2.9 2,-0.6 1,-0.2 -4,-0.2 0.235 65.9-124.1-105.0 13.1 18.4 39.5 19.5 55 55 A G - 0 0 44 -6,-0.4 2,-0.3 -5,-0.2 -1,-0.2 -0.739 46.0 -47.1 92.9-122.5 15.9 36.8 18.5 56 56 A D >> - 0 0 70 -2,-0.6 4,-1.6 -7,-0.1 3,-1.3 -0.961 44.4-101.9-150.7 169.9 16.4 34.8 15.4 57 57 A I H 3> S+ 0 0 22 -2,-0.3 4,-3.2 1,-0.3 -1,-0.1 0.829 116.7 61.2 -65.8 -29.7 17.3 35.0 11.7 58 58 A G H 34 S+ 0 0 42 1,-0.2 -1,-0.3 2,-0.2 5,-0.2 0.525 107.8 44.2 -75.7 -9.1 13.6 34.6 10.7 59 59 A K H <4 S+ 0 0 134 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.681 119.6 42.3-100.3 -33.4 12.8 37.8 12.6 60 60 A L H < S+ 0 0 20 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.2 0.797 130.2 21.5 -82.6 -35.5 15.8 39.6 11.2 61 61 A F S < S- 0 0 17 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.1 -0.693 86.8-155.0-137.6 81.9 15.6 38.5 7.6 62 62 A P - 0 0 35 0, 0.0 6,-0.3 0, 0.0 3,-0.2 -0.190 23.7-133.1 -61.1 146.3 12.0 37.2 6.8 63 63 A D S S+ 0 0 118 1,-0.2 5,-0.1 -5,-0.2 6,-0.0 0.823 110.5 62.5 -62.4 -36.1 11.0 34.7 4.1 64 64 A T S S+ 0 0 125 2,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.900 84.0 82.6 -56.2 -47.1 8.4 37.3 3.2 65 65 A D > - 0 0 66 -3,-0.2 3,-1.6 1,-0.2 4,-0.1 -0.505 67.4-158.6 -69.5 112.2 11.0 40.0 2.3 66 66 A P G > S+ 0 0 103 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.460 84.2 79.1 -69.1 -4.6 12.0 39.2 -1.3 67 67 A A G 3 S+ 0 0 74 1,-0.2 -2,-0.1 3,-0.0 -3,-0.0 0.783 92.1 52.8 -73.6 -25.0 15.2 41.1 -0.7 68 68 A F G X S+ 0 0 41 -3,-1.6 3,-2.1 -6,-0.3 -1,-0.2 0.469 78.3 122.2 -89.2 -2.2 16.5 38.0 1.0 69 69 A K T < S+ 0 0 163 -3,-0.6 -34,-0.3 1,-0.3 3,-0.1 -0.464 89.5 3.8 -65.2 130.1 15.7 35.7 -1.9 70 70 A G T 3 S+ 0 0 52 -36,-4.0 -1,-0.3 -2,-0.2 -35,-0.3 0.411 95.9 172.4 73.3 3.0 18.9 33.9 -2.9 71 71 A A < - 0 0 13 -3,-2.1 -35,-2.0 -37,-0.3 2,-0.7 -0.036 38.4-120.9 -50.9 134.7 20.7 35.6 -0.0 72 72 A D >> - 0 0 63 -37,-0.2 4,-1.4 1,-0.2 3,-1.4 -0.685 20.1-144.5 -76.4 116.3 24.2 34.6 0.7 73 73 A S H 3> S+ 0 0 0 -2,-0.7 4,-2.7 1,-0.3 -1,-0.2 0.697 96.9 61.6 -58.5 -22.0 24.0 33.3 4.2 74 74 A R H 3> S+ 0 0 36 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.815 101.6 54.1 -71.8 -32.1 27.5 34.6 5.1 75 75 A E H <> S+ 0 0 115 -3,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.925 111.2 44.2 -65.9 -42.4 26.1 38.0 4.3 76 76 A L H X S+ 0 0 19 -4,-1.4 4,-2.3 2,-0.2 5,-0.3 0.885 111.3 54.8 -68.3 -38.3 23.3 37.4 6.8 77 77 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.936 108.0 48.9 -60.3 -46.5 25.8 36.0 9.3 78 78 A R H X S+ 0 0 94 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.871 111.3 49.0 -62.6 -38.5 27.9 39.1 9.1 79 79 A E H X S+ 0 0 50 -4,-1.7 4,-3.1 2,-0.2 5,-0.3 0.943 111.1 47.6 -66.3 -52.5 25.0 41.5 9.6 80 80 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.946 114.8 48.9 -53.8 -44.0 23.6 39.6 12.6 81 81 A W H X S+ 0 0 9 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.881 108.1 53.9 -64.0 -36.1 27.2 39.7 13.9 82 82 A R H X S+ 0 0 128 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.986 113.2 42.1 -59.9 -54.5 27.4 43.4 13.1 83 83 A R H X S+ 0 0 99 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.853 111.9 56.1 -60.6 -36.3 24.3 44.0 15.2 84 84 A I H <>S+ 0 0 0 -4,-2.9 5,-1.7 -5,-0.3 -1,-0.2 0.913 109.0 45.3 -64.5 -42.2 25.4 41.6 17.9 85 85 A Q H ><5S+ 0 0 97 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.858 106.5 60.3 -68.7 -36.1 28.7 43.5 18.4 86 86 A A H 3<5S+ 0 0 78 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.842 97.5 58.8 -59.2 -35.5 26.8 46.8 18.4 87 87 A K T 3<5S- 0 0 99 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.487 131.2 -99.5 -72.7 -2.0 24.9 45.5 21.4 88 88 A G T < 5S+ 0 0 57 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.2 0.518 77.1 137.2 98.5 9.0 28.3 45.2 23.0 89 89 A Y < - 0 0 32 -5,-1.7 2,-0.3 -37,-0.0 -1,-0.3 -0.499 31.7-165.5 -93.6 157.9 29.1 41.6 22.6 90 90 A T - 0 0 76 65,-1.7 65,-3.1 -2,-0.1 2,-0.2 -0.939 35.9 -87.4-131.4 156.6 32.4 39.8 21.5 91 91 A L E +B 154 0A 25 -2,-0.3 63,-0.2 63,-0.2 3,-0.1 -0.432 34.9 174.6 -75.3 132.5 32.9 36.2 20.5 92 92 A G E - 0 0 14 61,-2.3 2,-0.3 1,-0.3 62,-0.2 0.863 62.7 -70.7 -91.8 -63.4 33.6 33.6 23.0 93 93 A N E -B 153 0A 67 60,-1.5 60,-2.1 2,-0.0 -1,-0.3 -0.904 42.9-134.9 176.7 163.3 33.6 30.6 20.7 94 94 A V E -Bc 152 127A 1 32,-2.3 34,-1.6 -2,-0.3 2,-0.4 -0.954 6.6-163.2-137.1 154.5 31.2 28.6 18.6 95 95 A D E -Bc 151 128A 45 56,-2.6 56,-2.7 -2,-0.3 2,-0.4 -0.996 9.4-167.8-138.7 132.9 30.5 25.0 17.9 96 96 A V E -Bc 150 129A 2 32,-1.6 34,-2.2 -2,-0.4 2,-0.5 -0.960 6.9-163.9-124.9 140.2 28.5 23.6 15.0 97 97 A T E -Bc 149 130A 41 52,-3.3 52,-2.5 -2,-0.4 2,-0.4 -0.948 6.9-160.9-127.3 109.0 27.1 20.1 14.3 98 98 A I E -Bc 148 131A 1 32,-2.7 34,-2.3 -2,-0.5 2,-0.6 -0.730 5.3-159.1 -86.1 136.9 25.9 19.2 10.8 99 99 A I E +Bc 147 132A 26 48,-2.8 48,-2.1 -2,-0.4 2,-0.3 -0.953 34.4 133.2-121.7 106.2 23.6 16.2 10.7 100 100 A A - 0 0 9 32,-2.5 5,-0.1 -2,-0.6 46,-0.1 -0.981 52.4-146.9-155.2 145.0 23.6 14.7 7.3 101 101 A Q S S+ 0 0 57 39,-0.5 -1,-0.1 1,-0.4 32,-0.1 0.759 81.7 43.6 -78.8 -31.4 23.8 11.2 5.7 102 102 A A S S+ 0 0 33 38,-0.1 -1,-0.4 -3,-0.1 2,-0.2 -0.931 79.0 44.0-169.3 158.4 25.5 12.7 2.7 103 103 A P S S- 0 0 17 0, 0.0 2,-0.6 0, 0.0 -76,-0.1 0.568 83.2-106.0 -73.4 179.0 27.4 14.4 1.2 104 104 A K - 0 0 178 -2,-0.2 4,-0.2 1,-0.2 -2,-0.1 -0.677 36.6-177.4 -76.0 117.0 30.7 14.0 3.2 105 105 A M >> + 0 0 7 -2,-0.6 3,-2.6 1,-0.2 4,-0.9 0.868 61.7 86.3 -82.5 -36.6 31.2 17.2 5.1 106 106 A L G >4 S+ 0 0 136 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.747 85.9 48.7 -34.4 -54.6 34.4 16.3 6.7 107 107 A P G 34 S+ 0 0 85 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.769 113.2 50.9 -63.8 -22.3 36.8 17.3 3.9 108 108 A H G <> S+ 0 0 43 -3,-2.6 4,-2.0 -4,-0.2 3,-0.3 0.642 82.2 90.7 -89.9 -15.3 35.1 20.7 3.7 109 109 A I H S+ 0 0 71 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.939 109.6 45.2 -55.8 -49.2 38.5 23.5 7.3 111 111 A Q H > S+ 0 0 83 -4,-0.3 4,-2.6 -3,-0.3 -2,-0.2 0.875 112.0 53.7 -61.1 -37.8 37.3 25.8 4.5 112 112 A M H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.937 108.0 49.8 -61.6 -45.3 34.1 26.3 6.5 113 113 A R H X S+ 0 0 57 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.810 109.4 52.8 -63.3 -30.5 36.1 27.2 9.5 114 114 A V H X S+ 0 0 45 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.960 111.9 43.8 -68.7 -50.4 38.1 29.7 7.4 115 115 A F H X S+ 0 0 43 -4,-2.6 4,-3.0 -94,-0.2 -2,-0.2 0.926 117.2 45.1 -59.0 -51.2 34.9 31.4 6.1 116 116 A I H X S+ 0 0 3 -4,-2.7 4,-2.2 -95,-0.2 5,-0.2 0.907 112.1 50.8 -61.7 -46.0 33.2 31.6 9.5 117 117 A A H X>S+ 0 0 6 -4,-1.9 5,-2.3 -5,-0.3 4,-0.8 0.898 113.6 46.9 -60.9 -39.6 36.3 32.8 11.4 118 118 A E H ><5S+ 0 0 127 -4,-2.2 3,-1.6 3,-0.2 -2,-0.2 0.992 111.6 50.3 -63.6 -57.5 36.7 35.5 8.8 119 119 A D H 3<5S+ 0 0 13 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.760 118.6 37.7 -50.3 -35.6 33.0 36.4 9.0 120 120 A L H 3<5S- 0 0 5 -4,-2.2 -1,-0.3 -5,-0.1 -29,-0.2 0.499 106.2-128.6 -95.3 -6.8 33.1 36.7 12.8 121 121 A G T <<5 + 0 0 70 -3,-1.6 2,-0.2 -4,-0.8 -3,-0.2 0.916 66.6 123.2 60.0 46.1 36.6 38.2 12.8 122 122 A C S - 0 0 136 -2,-0.2 3,-2.5 1,-0.1 4,-0.2 -0.570 37.1-117.7 -82.5 151.1 40.6 33.2 15.2 124 124 A M G > S+ 0 0 57 1,-0.3 3,-2.6 -2,-0.2 -1,-0.1 0.831 112.5 70.1 -54.0 -32.0 39.8 29.8 13.7 125 125 A D G 3 S+ 0 0 126 1,-0.3 -1,-0.3 -32,-0.0 -2,-0.0 0.677 93.6 56.4 -63.3 -12.4 40.5 28.3 17.1 126 126 A D G < S+ 0 0 55 -3,-2.5 -32,-2.3 -33,-0.1 2,-0.5 0.432 100.5 72.0 -96.9 3.0 37.4 29.9 18.3 127 127 A V E < +c 94 0A 0 -3,-2.6 2,-0.4 -34,-0.2 -32,-0.2 -0.972 56.8 175.0-123.5 123.7 35.4 28.2 15.6 128 128 A N E -c 95 0A 71 -34,-1.6 -32,-1.6 -2,-0.5 2,-0.4 -0.979 3.4-180.0-128.1 138.2 34.6 24.4 15.5 129 129 A V E +c 96 0A 10 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.993 8.8 171.6-134.0 137.5 32.4 22.6 13.0 130 130 A K E -c 97 0A 77 -34,-2.2 -32,-2.7 -2,-0.4 2,-0.3 -0.880 16.7-138.8-140.2 173.6 31.7 18.9 13.1 131 131 A A E +c 98 0A 47 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.984 15.5 176.1-141.2 152.9 29.5 16.4 11.3 132 132 A T E -c 99 0A 69 -34,-2.3 -32,-2.5 -2,-0.3 2,-0.3 -0.990 19.1-135.5-151.6 158.1 27.3 13.4 12.1 133 133 A T - 0 0 47 -2,-0.3 -32,-0.1 -34,-0.2 8,-0.1 -0.727 16.1-138.4-110.6 156.3 24.9 10.9 10.4 134 134 A T > - 0 0 43 -2,-0.3 3,-2.0 3,-0.1 7,-0.1 0.120 50.9-112.7-100.5 23.8 21.6 9.6 11.8 135 135 A E T 3 S- 0 0 148 1,-0.3 3,-0.1 5,-0.1 6,-0.1 0.879 72.2 -52.3 45.4 53.2 22.6 6.1 10.5 136 136 A K T 3 S+ 0 0 156 1,-0.3 -1,-0.3 4,-0.1 2,-0.2 0.233 112.3 125.8 72.5 -13.2 19.9 6.0 7.8 137 137 A L <> + 0 0 127 -3,-2.0 4,-1.3 4,-0.2 -1,-0.3 -0.516 58.7 3.9 -77.0 142.0 17.3 6.9 10.5 138 138 A G H > S- 0 0 34 3,-0.2 4,-3.3 2,-0.2 6,-0.2 -0.030 103.6 -52.9 83.2 177.4 15.0 9.9 9.9 139 139 A F H 4>S+ 0 0 75 1,-0.2 5,-3.6 2,-0.2 6,-0.7 0.857 143.3 44.9 -62.7 -32.1 14.4 12.4 7.2 140 140 A T H >45S+ 0 0 10 3,-0.2 3,-2.2 4,-0.2 -39,-0.5 0.928 111.9 51.9 -73.9 -45.1 18.1 13.1 7.3 141 141 A G H 3<5S+ 0 0 3 -4,-1.3 -2,-0.2 1,-0.3 -3,-0.2 0.865 109.6 50.1 -58.0 -34.0 18.7 9.3 7.3 142 142 A R T 3<5S- 0 0 147 -4,-3.3 -1,-0.3 -5,-0.0 -2,-0.2 0.346 118.0-114.9 -86.2 6.1 16.5 8.9 4.3 143 143 A G T < 5S+ 0 0 16 -3,-2.2 -3,-0.2 -5,-0.2 -2,-0.1 0.806 77.5 130.6 65.8 29.6 18.4 11.7 2.6 144 144 A E S