==== 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 1U3L . 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.HECHST,W.EISENREI . 155 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7538.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 68.4 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 . 8 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.3 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 1 0 0 2 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 0 171 0, 0.0 2,-0.4 0, 0.0 154,-0.2 0.000 360.0 360.0 360.0 129.6 29.2 35.1 29.1 2 2 A R E -A 154 0A 111 152,-2.9 152,-3.4 2,-0.0 2,-0.3 -0.988 360.0-145.1-130.9 140.7 26.0 34.3 27.2 3 3 A I E -A 153 0A 139 -2,-0.4 2,-0.3 150,-0.2 150,-0.2 -0.791 16.3-177.3-106.0 146.6 24.9 31.0 25.6 4 4 A G E -A 152 0A 6 148,-2.2 148,-1.5 -2,-0.3 2,-0.3 -0.952 9.5-160.0-141.1 158.9 22.9 30.5 22.4 5 5 A H E -A 151 0A 106 41,-0.3 2,-0.3 -2,-0.3 146,-0.2 -0.997 8.0-178.1-143.1 136.2 21.4 27.6 20.4 6 6 A G E -A 150 0A 2 144,-2.5 144,-2.0 -2,-0.3 2,-0.3 -0.945 2.8-176.6-133.0 152.8 20.3 27.3 16.7 7 7 A F E +A 149 0A 99 -2,-0.3 2,-0.3 142,-0.2 142,-0.2 -0.984 8.6 170.9-148.8 137.3 18.7 24.5 14.7 8 8 A D E -A 148 0A 34 140,-2.2 140,-1.8 -2,-0.3 2,-0.3 -0.982 12.5-167.5-148.2 158.9 17.8 24.4 11.0 9 9 A V E -A 147 0A 50 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.988 3.4-176.6-146.2 143.6 16.6 22.0 8.2 10 10 A H E -A 146 0A 37 136,-2.0 136,-2.3 -2,-0.3 2,-0.3 -0.986 23.4-125.4-143.6 138.5 16.4 22.2 4.4 11 11 A A E -A 145 0A 48 21,-0.5 21,-3.6 -2,-0.3 134,-0.3 -0.633 25.0-111.8 -86.0 146.7 15.1 19.7 2.0 12 12 A F E +D 31 0B 23 132,-2.2 19,-0.3 -2,-0.3 2,-0.2 -0.458 50.1 149.9 -72.2 148.0 16.9 18.2 -1.0 13 13 A G E + 0 0 21 17,-2.7 17,-0.2 -2,-0.1 2,-0.1 -0.797 42.5 0.7-179.8 135.2 15.6 19.3 -4.3 14 14 A G E S- 0 0 58 -2,-0.2 16,-0.5 15,-0.1 2,-0.2 -0.389 97.4 -27.5 83.2-157.5 17.0 19.9 -7.8 15 15 A E E S-D 29 0B 165 14,-0.3 14,-0.3 1,-0.1 16,-0.2 -0.611 75.8 -80.5 -97.0 155.4 20.6 19.5 -8.9 16 16 A G S S+ 0 0 26 12,-0.7 14,-0.2 11,-0.4 2,-0.1 -0.103 71.4 86.0 -69.9 179.2 23.7 19.8 -6.9 17 17 A P - 0 0 37 0, 0.0 14,-0.4 0, 0.0 2,-0.3 0.576 51.2-155.3 -85.3-177.0 26.0 21.2 -5.5 18 18 A I E -E 25 0C 2 7,-2.6 7,-3.1 12,-0.2 2,-0.5 -0.817 11.0-134.2-117.6 156.0 24.9 22.2 -2.0 19 19 A I E +E 24 0C 40 17,-0.5 2,-0.4 -2,-0.3 20,-0.4 -0.982 31.1 167.5-114.2 121.4 26.4 25.1 0.0 20 20 A I E > S-E 23 0C 1 3,-2.2 3,-2.0 -2,-0.5 18,-0.1 -0.976 71.4 -6.4-135.5 124.0 27.2 24.2 3.6 21 21 A G T 3 S- 0 0 0 -2,-0.4 95,-0.3 1,-0.3 94,-0.2 0.756 131.3 -58.4 64.7 22.4 29.3 26.4 5.9 22 22 A G T 3 S+ 0 0 17 1,-0.3 2,-0.4 93,-0.1 -1,-0.3 0.299 112.3 124.8 88.5 -7.6 29.9 28.6 2.9 23 23 A V E < -E 20 0C 13 -3,-2.0 -3,-2.2 85,-0.0 2,-1.0 -0.693 61.7-134.4 -94.1 130.5 31.4 25.6 1.0 24 24 A R E -E 19 0C 177 -2,-0.4 -5,-0.2 -5,-0.2 -1,-0.0 -0.751 30.7-170.0 -82.1 104.7 30.1 24.5 -2.4 25 25 A I E -E 18 0C 1 -7,-3.1 -7,-2.6 -2,-1.0 2,-0.1 -0.902 22.3-121.0-104.1 120.2 30.0 20.7 -1.9 26 26 A P + 0 0 97 0, 0.0 2,-0.3 0, 0.0 3,-0.0 -0.375 46.1 155.3 -61.0 131.6 29.3 18.5 -4.9 27 27 A Y - 0 0 42 -2,-0.1 -11,-0.4 1,-0.1 -2,-0.0 -0.985 53.1-116.7-157.1 151.8 26.2 16.4 -4.5 28 28 A E S S+ 0 0 140 -2,-0.3 -12,-0.7 -13,-0.1 2,-0.3 0.802 102.5 31.6 -59.4 -35.2 23.7 14.6 -6.7 29 29 A K E S-D 15 0B 48 -14,-0.3 -14,-0.3 -3,-0.0 2,-0.2 -0.837 76.1-141.9-123.0 159.4 20.9 16.8 -5.4 30 30 A G E - 0 0 3 -16,-0.5 -17,-2.7 -2,-0.3 2,-0.4 -0.403 27.5 -94.8-106.0-171.0 20.8 20.4 -4.2 31 31 A L E -D 12 0B 25 -14,-0.4 2,-0.5 -19,-0.3 -19,-0.3 -0.920 27.7-128.0-114.4 136.5 18.9 22.0 -1.3 32 32 A L + 0 0 99 -21,-3.6 -21,-0.5 -2,-0.4 2,-0.3 -0.704 49.1 131.2 -82.0 125.6 15.6 23.8 -1.6 33 33 A A - 0 0 45 -2,-0.5 37,-0.1 2,-0.2 -23,-0.0 -0.986 65.0-120.4-170.0 158.7 15.5 27.4 -0.1 34 34 A H S S+ 0 0 59 -2,-0.3 36,-3.5 35,-0.1 37,-0.2 0.928 112.0 24.6 -65.3 -45.9 14.6 31.1 -0.5 35 35 A S S S- 0 0 19 34,-0.3 -2,-0.2 35,-0.2 37,-0.2 0.279 126.9 -62.3 -92.3-143.9 18.4 31.8 0.0 36 36 A D - 0 0 43 35,-1.3 -17,-0.5 2,-0.1 -5,-0.2 0.392 65.9-124.6 -88.7 -0.1 21.2 29.4 -0.7 37 37 A G + 0 0 0 1,-0.2 2,-1.4 34,-0.2 3,-0.1 0.698 43.2 172.6 64.5 23.8 19.8 27.0 2.0 38 38 A D > - 0 0 0 1,-0.2 4,-2.0 2,-0.1 -1,-0.2 -0.460 9.7-175.0 -66.8 91.8 23.0 26.9 3.9 39 39 A V H > S+ 0 0 0 -2,-1.4 4,-2.4 -20,-0.4 5,-0.2 0.863 78.6 56.1 -56.3 -40.2 21.7 24.9 6.9 40 40 A A H > S+ 0 0 3 1,-0.2 4,-1.7 -21,-0.2 -1,-0.2 0.870 110.2 42.2 -64.5 -40.4 25.0 25.2 8.7 41 41 A L H > S+ 0 0 0 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.800 112.5 53.1 -80.7 -25.5 25.1 29.0 8.6 42 42 A H H X S+ 0 0 17 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.972 111.0 46.6 -70.5 -49.5 21.4 29.5 9.5 43 43 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 107,-0.2 0.913 115.0 48.0 -57.6 -39.9 21.7 27.3 12.5 44 44 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.947 109.4 52.2 -65.3 -46.5 24.9 29.2 13.5 45 45 A T H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.3 5,-0.2 0.905 110.9 48.2 -54.0 -46.8 23.3 32.6 12.9 46 46 A D H X S+ 0 0 33 -4,-2.5 4,-2.4 2,-0.2 -41,-0.3 0.819 108.3 54.1 -63.7 -37.5 20.4 31.7 15.2 47 47 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.3 105,-0.3 0.938 113.1 43.1 -63.5 -44.8 22.7 30.4 17.8 48 48 A L H X S+ 0 0 1 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.895 115.7 46.7 -68.3 -43.6 24.5 33.8 17.8 49 49 A L H X>S+ 0 0 0 -4,-2.8 5,-2.9 -5,-0.2 4,-0.6 0.881 112.2 54.1 -66.0 -36.6 21.3 35.9 17.7 50 50 A G H ><5S+ 0 0 29 -4,-2.4 3,-1.2 -5,-0.2 -2,-0.2 0.941 106.5 48.7 -62.0 -48.0 20.0 33.6 20.5 51 51 A A H 3<5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.808 114.6 47.9 -62.4 -27.7 22.9 34.3 22.7 52 52 A A H 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.509 111.0-121.9 -89.0 -7.0 22.5 38.0 22.1 53 53 A A T <<5S+ 0 0 58 -3,-1.2 -3,-0.2 -4,-0.6 -2,-0.1 0.917 74.9 127.7 64.0 43.2 18.7 37.9 22.7 54 54 A L < - 0 0 32 -5,-2.9 2,-0.7 1,-0.2 -4,-0.2 0.312 66.0-127.3-109.4 4.4 18.1 39.2 19.2 55 55 A G - 0 0 42 -6,-0.6 2,-0.3 -5,-0.1 -1,-0.2 -0.779 46.1 -41.4 97.6-116.3 15.7 36.5 18.2 56 56 A D >> - 0 0 75 -2,-0.7 4,-1.6 -7,-0.1 3,-1.6 -0.983 49.9 -95.8-155.2 165.4 16.2 34.6 15.1 57 57 A I H 3> S+ 0 0 29 -2,-0.3 4,-3.4 1,-0.3 3,-0.2 0.884 120.1 53.2 -51.0 -43.9 17.2 34.8 11.5 58 58 A G H 34 S+ 0 0 30 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.672 104.8 55.5 -69.9 -19.0 13.6 35.0 10.3 59 59 A K H <4 S+ 0 0 138 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.871 118.3 33.8 -78.2 -39.1 12.9 37.9 12.6 60 60 A L H < S+ 0 0 23 -4,-1.6 -2,-0.2 -3,-0.2 -3,-0.2 0.827 131.6 28.2 -84.0 -36.8 15.8 39.9 11.1 61 61 A F S < S- 0 0 17 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.1 -0.718 85.8-145.8-132.5 84.5 15.7 38.7 7.4 62 62 A P > - 0 0 43 0, 0.0 3,-0.8 0, 0.0 6,-0.3 -0.146 16.3-135.9 -53.4 134.5 12.1 37.6 6.4 63 63 A D T 3 S+ 0 0 124 1,-0.3 -5,-0.0 -5,-0.1 5,-0.0 0.799 109.1 58.4 -56.5 -31.1 11.3 34.7 4.0 64 64 A T T 3 S+ 0 0 127 3,-0.0 -1,-0.3 4,-0.0 5,-0.1 0.821 80.2 93.3 -70.1 -38.8 8.8 37.2 2.5 65 65 A D S X S- 0 0 70 -3,-0.8 3,-0.9 1,-0.2 4,-0.0 -0.492 70.5-146.7 -65.1 119.5 11.3 40.0 1.7 66 66 A P G > S+ 0 0 103 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.731 90.9 68.3 -57.8 -30.7 12.4 39.4 -2.0 67 67 A A G 3 S+ 0 0 72 1,-0.3 4,-0.1 3,-0.1 -2,-0.1 0.867 92.7 60.7 -60.9 -35.4 16.0 40.6 -1.6 68 68 A F G < S+ 0 0 41 -3,-0.9 2,-0.7 -6,-0.3 3,-0.5 0.426 79.5 110.8 -72.7 0.6 16.7 37.6 0.6 69 69 A K S < S+ 0 0 155 -3,-1.8 -34,-0.3 1,-0.2 3,-0.1 -0.728 95.1 1.7 -83.9 118.1 15.8 35.4 -2.3 70 70 A G S S+ 0 0 54 -36,-3.5 -1,-0.2 -2,-0.7 -35,-0.2 0.238 100.6 166.3 89.8 -7.0 19.0 33.7 -3.6 71 71 A A - 0 0 12 -3,-0.5 -35,-1.3 -37,-0.2 2,-0.6 0.063 42.9-115.4 -46.5 140.7 20.7 35.5 -0.7 72 72 A D >> - 0 0 65 -37,-0.2 4,-1.3 1,-0.1 3,-1.2 -0.683 18.4-146.0 -80.5 116.6 24.2 34.5 0.4 73 73 A S H 3> S+ 0 0 0 -2,-0.6 4,-2.0 1,-0.3 -1,-0.1 0.675 97.1 63.0 -59.7 -20.2 23.9 33.1 4.0 74 74 A R H 3> S+ 0 0 32 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.800 99.2 55.1 -75.1 -28.5 27.4 34.5 4.8 75 75 A E H <> S+ 0 0 110 -3,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.953 110.7 44.0 -65.8 -49.2 25.9 38.0 4.2 76 76 A L H X S+ 0 0 18 -4,-1.3 4,-2.5 1,-0.2 5,-0.3 0.884 112.8 53.7 -61.3 -39.4 23.2 37.3 6.7 77 77 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.953 111.0 44.6 -60.9 -49.1 25.8 35.8 9.0 78 78 A R H X S+ 0 0 101 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.831 114.2 49.3 -64.6 -36.0 28.0 38.9 8.9 79 79 A E H X S+ 0 0 50 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.931 111.2 48.0 -67.7 -50.0 25.0 41.3 9.3 80 80 A A H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.909 113.8 50.1 -57.6 -38.8 23.6 39.4 12.3 81 81 A W H X S+ 0 0 10 -4,-2.1 4,-2.6 -5,-0.3 -2,-0.2 0.889 107.3 53.0 -68.6 -37.3 27.1 39.5 13.6 82 82 A R H X S+ 0 0 128 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.973 112.3 44.6 -60.0 -52.9 27.4 43.2 13.0 83 83 A R H X S+ 0 0 90 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.825 112.0 53.1 -59.7 -36.4 24.2 43.9 15.0 84 84 A I H ><>S+ 0 0 0 -4,-2.1 5,-1.7 -5,-0.2 3,-0.6 0.939 109.8 47.3 -66.1 -47.1 25.3 41.5 17.7 85 85 A Q H ><5S+ 0 0 95 -4,-2.6 3,-1.5 1,-0.3 -2,-0.2 0.848 108.0 56.3 -62.2 -36.9 28.6 43.3 18.2 86 86 A A H 3<5S+ 0 0 80 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.772 97.8 61.7 -65.7 -29.1 26.9 46.6 18.2 87 87 A K T <<5S- 0 0 94 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.379 132.0 -96.4 -76.5 2.7 24.8 45.4 21.1 88 88 A G T < 5S+ 0 0 60 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.2 0.467 79.4 136.7 97.8 5.7 28.1 45.1 22.9 89 89 A Y < - 0 0 30 -5,-1.7 2,-0.3 65,-0.0 -1,-0.3 -0.490 32.3-167.1 -93.3 157.2 29.0 41.4 22.4 90 90 A T - 0 0 76 65,-1.5 65,-3.2 -2,-0.2 2,-0.1 -0.951 35.5 -93.2-132.9 150.1 32.2 39.7 21.4 91 91 A L E +B 154 0A 23 -2,-0.3 63,-0.2 63,-0.2 3,-0.1 -0.402 34.3 174.1 -71.0 136.9 32.7 36.1 20.3 92 92 A G E - 0 0 18 61,-2.5 2,-0.3 1,-0.3 62,-0.2 0.777 63.8 -62.2 -98.2 -67.6 33.5 33.4 22.9 93 93 A N E -B 153 0A 71 60,-1.5 60,-2.5 2,-0.0 2,-0.3 -0.948 41.6-140.3-176.6 157.0 33.3 30.4 20.6 94 94 A V E -Bc 152 127A 2 32,-2.2 34,-1.4 -2,-0.3 2,-0.4 -0.951 7.4-165.0-129.2 148.9 30.9 28.5 18.3 95 95 A D E -Bc 151 128A 46 56,-2.6 56,-2.6 -2,-0.3 2,-0.4 -0.995 9.1-165.4-136.0 127.9 30.4 24.7 17.7 96 96 A V E -Bc 150 129A 1 32,-1.9 34,-1.4 -2,-0.4 2,-0.4 -0.910 7.5-165.2-117.5 141.7 28.3 23.4 14.8 97 97 A T E -Bc 149 130A 38 52,-3.0 52,-2.6 -2,-0.4 2,-0.5 -0.955 8.7-158.1-129.1 108.6 27.0 19.8 14.2 98 98 A I E -Bc 148 131A 1 32,-2.9 34,-2.0 -2,-0.4 2,-0.8 -0.783 4.6-156.9 -87.5 125.1 25.8 18.9 10.7 99 99 A I E +Bc 147 132A 24 48,-2.2 48,-2.3 -2,-0.5 2,-0.3 -0.905 37.3 135.1-106.9 103.1 23.4 16.0 10.7 100 100 A A - 0 0 7 32,-2.4 5,-0.2 -2,-0.8 46,-0.1 -0.974 51.5-150.7-152.4 137.1 23.5 14.5 7.2 101 101 A Q S S+ 0 0 51 39,-0.5 32,-0.1 1,-0.4 -1,-0.1 0.793 81.1 43.5 -72.0 -33.4 23.7 10.9 5.8 102 102 A A S S+ 0 0 33 38,-0.1 -1,-0.4 1,-0.1 2,-0.2 -0.911 79.5 45.0-171.4 157.2 25.6 12.4 2.9 103 103 A P S S- 0 0 18 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.513 81.1-110.2 -75.6 177.0 27.4 14.0 1.4 104 104 A K - 0 0 155 -2,-0.2 4,-0.2 1,-0.2 -2,-0.1 -0.622 31.6-173.3 -70.9 120.7 30.6 13.5 3.5 105 105 A M >> + 0 0 5 -2,-0.5 3,-2.1 -5,-0.2 4,-0.8 0.768 60.9 92.5 -88.3 -24.5 31.3 16.9 5.2 106 106 A L G >4 S+ 0 0 116 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.777 83.4 47.0 -40.2 -51.7 34.6 15.9 6.6 107 107 A P G 34 S+ 0 0 87 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.709 112.5 50.9 -69.2 -17.0 36.9 17.1 3.9 108 108 A H G <> S+ 0 0 43 -3,-2.1 4,-2.0 -4,-0.2 -2,-0.2 0.508 84.0 89.0 -97.0 -6.8 35.1 20.5 3.6 109 109 A I H S+ 0 0 76 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.945 111.4 44.6 -56.8 -46.5 38.6 23.2 7.2 111 111 A Q H > S+ 0 0 86 -4,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.868 111.2 54.9 -64.1 -37.6 37.4 25.5 4.5 112 112 A M H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.952 106.7 50.0 -60.4 -48.9 34.1 26.0 6.4 113 113 A R H X S+ 0 0 59 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.779 109.1 53.3 -61.3 -29.0 36.1 27.0 9.5 114 114 A V H X S+ 0 0 50 -4,-1.3 4,-1.5 -5,-0.2 -1,-0.2 0.909 112.1 43.5 -71.8 -44.5 38.0 29.5 7.4 115 115 A F H X S+ 0 0 45 -4,-2.2 4,-2.8 -94,-0.2 -2,-0.2 0.953 116.3 46.3 -65.5 -50.3 34.8 31.1 6.0 116 116 A I H X S+ 0 0 2 -4,-3.0 4,-2.1 -95,-0.3 6,-0.2 0.912 113.5 48.0 -60.3 -44.4 33.0 31.2 9.4 117 117 A A H <>S+ 0 0 6 -4,-1.9 5,-1.9 -5,-0.3 4,-0.4 0.828 112.0 51.5 -65.7 -33.1 36.0 32.6 11.3 118 118 A E H ><5S+ 0 0 124 -4,-1.5 3,-1.6 3,-0.2 -2,-0.2 0.986 111.4 46.5 -64.2 -56.5 36.4 35.2 8.5 119 119 A D H 3<5S+ 0 0 11 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.765 118.0 42.0 -55.7 -34.7 32.8 36.2 8.8 120 120 A L T 3<5S- 0 0 3 -4,-2.1 -1,-0.3 -5,-0.2 -29,-0.2 0.409 105.8-127.7 -95.5 -0.4 33.0 36.3 12.6 121 121 A G T < 5 + 0 0 71 -3,-1.6 -3,-0.2 -4,-0.4 2,-0.2 0.793 69.9 116.9 59.1 31.2 36.3 38.1 12.6 122 122 A C S - 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