==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 09-JAN-12 3VFC . COMPND 2 MOLECULE: PROBABLE GLUCARATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS STR. MC2 155; . AUTHOR Y.PATSKOVSKY,R.TORO,R.BHOSLE,B.HILLERICH,R.D.SEIDEL,E.WASHIN . 417 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15923.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 9.1 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 18 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 1 0 0 1 1 0 2 0 2 0 4 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 0 3 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 PARALLEL BRIDGES PER LADDER . 4 2 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 3 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 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 0 A S 0 0 177 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 69.7 92.8 62.8 22.1 2 1 A M > - 0 0 51 5,-0.0 3,-1.7 44,-0.0 5,-0.1 -0.831 360.0-132.8-104.0 117.2 89.4 63.3 23.5 3 2 A A G > S+ 0 0 73 -2,-0.7 3,-2.2 1,-0.3 0, 0.0 -0.384 97.5 8.7 -54.9 139.6 88.7 65.9 26.2 4 3 A H G 3 S- 0 0 181 1,-0.3 -1,-0.3 -2,-0.0 3,-0.1 0.779 122.4 -83.9 55.4 27.4 86.6 64.3 29.0 5 4 A N G < S+ 0 0 141 -3,-1.7 2,-0.4 1,-0.2 -1,-0.3 0.827 97.3 139.3 46.2 36.5 87.3 61.0 27.3 6 5 A R < - 0 0 98 -3,-2.2 2,-0.5 39,-0.0 -1,-0.2 -0.909 38.3-179.0-121.5 131.8 84.3 62.0 25.2 7 6 A I + 0 0 3 -2,-0.4 69,-1.8 -3,-0.1 70,-0.4 -0.974 24.9 169.3-127.8 113.7 83.6 61.6 21.5 8 7 A R B -A 75 0A 80 -2,-0.5 37,-2.4 67,-0.3 2,-0.3 -0.861 37.5 -90.5-131.9 162.9 80.3 63.0 20.5 9 8 A I E +B 44 0B 1 65,-2.5 64,-3.0 62,-0.3 35,-0.3 -0.507 28.9 177.3 -75.6 130.5 78.2 63.9 17.5 10 9 A T E - 0 0 63 33,-2.5 2,-0.3 1,-0.4 34,-0.2 0.570 65.6 -44.0-106.4 -15.9 78.5 67.5 16.1 11 10 A G E -B 43 0B 18 32,-1.3 32,-2.6 60,-0.1 -1,-0.4 -0.940 49.6-118.3 168.1 171.6 76.2 67.0 13.2 12 11 A A E -B 42 0B 23 -2,-0.3 2,-0.6 30,-0.2 30,-0.2 -0.999 9.9-149.6-136.6 138.0 75.2 64.8 10.3 13 12 A R E -B 41 0B 104 28,-2.7 28,-2.3 -2,-0.4 2,-0.6 -0.939 13.4-163.3-104.9 116.8 75.2 65.3 6.5 14 13 A V E -B 40 0B 21 -2,-0.6 26,-0.2 26,-0.2 -2,-0.0 -0.876 8.2-174.8 -97.2 119.0 72.4 63.4 4.7 15 14 A T E -B 39 0B 24 24,-2.7 24,-2.5 -2,-0.6 2,-0.2 -0.914 14.1-148.8-120.7 108.5 73.0 63.1 0.9 16 15 A P E -B 38 0B 18 0, 0.0 2,-0.3 0, 0.0 22,-0.2 -0.513 23.1-177.4 -71.0 141.1 70.4 61.6 -1.3 17 16 A V E -B 37 0B 0 20,-3.0 20,-2.0 -2,-0.2 2,-0.4 -0.926 15.9-153.0-134.9 162.3 71.9 59.8 -4.3 18 17 A A E -B 36 0B 2 368,-1.5 2,-0.3 -2,-0.3 18,-0.2 -0.999 11.5-175.4-138.8 137.9 70.5 57.9 -7.4 19 18 A F E -B 35 0B 1 16,-1.9 16,-2.6 -2,-0.4 -2,-0.0 -0.978 36.2 -87.9-137.0 149.0 72.1 55.1 -9.4 20 19 A A E -B 34 0B 25 -2,-0.3 330,-0.3 14,-0.2 14,-0.3 -0.266 42.1-177.0 -60.4 135.5 71.1 53.3 -12.6 21 20 A D - 0 0 12 12,-2.2 328,-0.1 328,-0.1 327,-0.0 -0.994 23.5-121.4-133.6 136.2 68.9 50.2 -12.1 22 21 A P - 0 0 14 0, 0.0 2,-2.5 0, 0.0 9,-0.1 -0.215 42.5 -87.6 -72.1 168.0 67.7 47.8 -14.9 23 22 A P + 0 0 0 0, 0.0 127,-1.6 0, 0.0 2,-0.2 -0.368 60.4 177.2 -79.7 71.0 64.0 47.2 -15.6 24 23 A L B -D 149 0C 0 -2,-2.5 7,-2.8 125,-0.2 2,-0.3 -0.489 19.0-137.2 -75.1 136.8 63.7 44.3 -13.1 25 24 A L E +F 30 0D 12 123,-2.8 123,-0.3 5,-0.2 2,-0.3 -0.712 27.3 165.3 -98.7 148.2 60.3 42.9 -12.7 26 25 A N E > -F 29 0D 18 3,-2.2 3,-1.2 -2,-0.3 165,-0.1 -0.850 54.6 -84.0-146.2-176.7 58.4 41.9 -9.6 27 26 A T T 3 S+ 0 0 12 163,-0.4 164,-0.1 -2,-0.3 3,-0.1 0.670 124.9 42.3 -72.5 -12.5 54.8 41.1 -8.8 28 27 A V T 3 S- 0 0 52 1,-0.1 2,-0.3 385,-0.1 -1,-0.3 0.410 125.0 -63.9-111.5 2.3 53.9 44.7 -8.3 29 28 A G E < -F 26 0D 1 -3,-1.2 -3,-2.2 375,-0.1 2,-0.3 -0.971 63.4 -58.4 158.0-144.2 55.6 46.4 -11.2 30 29 A V E -F 25 0D 0 370,-1.2 -5,-0.2 -2,-0.3 374,-0.2 -0.987 52.7 -95.9-143.2 145.3 59.1 47.1 -12.7 31 30 A H - 0 0 3 -7,-2.8 4,-0.1 -2,-0.3 -10,-0.0 -0.376 40.1-116.0 -62.5 140.2 62.1 48.9 -11.2 32 31 A Q - 0 0 28 2,-0.2 -8,-0.2 1,-0.1 -11,-0.1 -0.316 32.2-102.7 -65.5 160.7 62.5 52.5 -12.1 33 32 A P S S+ 0 0 37 0, 0.0 -12,-2.2 0, 0.0 2,-0.4 0.656 108.2 39.3 -67.3 -16.2 65.6 53.4 -14.1 34 33 A Y E S-B 20 0B 65 -14,-0.3 2,-0.3 359,-0.1 -14,-0.2 -1.000 71.8-151.5-132.7 136.9 67.3 54.9 -10.9 35 34 A A E -B 19 0B 16 -16,-2.6 -16,-1.9 -2,-0.4 2,-0.3 -0.751 20.8-135.0 -97.5 152.8 67.2 53.5 -7.4 36 35 A L E +B 18 0B 20 -2,-0.3 20,-0.4 -18,-0.2 2,-0.3 -0.860 26.5 166.3-113.9 144.9 67.5 56.0 -4.5 37 36 A R E -B 17 0B 6 -20,-2.0 -20,-3.0 -2,-0.3 2,-0.5 -0.964 26.6-133.7-145.0 159.0 69.5 55.9 -1.3 38 37 A A E -BC 16 54B 0 16,-2.7 16,-2.3 -2,-0.3 2,-0.5 -0.981 15.5-148.7-116.5 128.3 70.6 58.4 1.4 39 38 A V E -BC 15 53B 0 -24,-2.5 -24,-2.7 -2,-0.5 2,-0.6 -0.823 8.8-154.1 -91.8 129.3 74.1 58.5 2.6 40 39 A I E -BC 14 52B 0 12,-2.9 12,-2.0 -2,-0.5 2,-0.6 -0.939 9.3-172.1-103.6 122.9 74.6 59.5 6.2 41 40 A Q E -BC 13 51B 7 -28,-2.3 -28,-2.7 -2,-0.6 2,-0.7 -0.977 12.4-159.7-107.3 113.7 78.0 61.1 7.2 42 41 A L E -BC 12 50B 0 8,-3.2 8,-2.1 -2,-0.6 2,-0.3 -0.848 7.7-156.5-101.5 114.0 78.0 61.4 11.0 43 42 A D E -BC 11 49B 30 -32,-2.6 -33,-2.5 -2,-0.7 -32,-1.3 -0.654 9.5-169.4 -96.3 146.1 80.5 64.0 12.2 44 43 A T E > -B 9 0B 8 4,-0.8 3,-1.8 -35,-0.3 -35,-0.2 -0.856 38.2-109.1-130.3 166.3 82.1 64.1 15.6 45 44 A D T 3 S+ 0 0 80 -37,-2.4 -36,-0.1 -2,-0.3 -39,-0.0 0.418 115.5 64.2 -76.4 3.6 84.2 66.5 17.8 46 45 A A T 3 S- 0 0 43 -38,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.309 116.0-112.7 -96.8 2.3 87.2 64.1 17.3 47 46 A G S < S+ 0 0 68 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.693 76.9 130.9 69.9 15.7 87.2 64.8 13.5 48 47 A L - 0 0 44 -4,-0.0 -4,-0.8 2,-0.0 2,-0.4 -0.875 42.2-158.1 -99.8 137.3 86.1 61.2 12.8 49 48 A T E -C 43 0B 45 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.942 2.1-157.4-118.4 130.7 83.2 60.6 10.4 50 49 A G E -C 42 0B 0 -8,-2.1 -8,-3.2 -2,-0.4 2,-0.4 -0.784 11.9-135.3-107.3 156.2 81.1 57.5 10.4 51 50 A L E +C 41 0B 8 -2,-0.3 2,-0.3 63,-0.3 67,-0.2 -0.861 24.8 165.9-115.2 140.8 79.0 56.2 7.4 52 51 A G E -C 40 0B 0 -12,-2.0 -12,-2.9 -2,-0.4 2,-0.4 -0.936 16.2-153.6-142.7 168.3 75.5 54.8 7.2 53 52 A E E +C 39 0B 4 -2,-0.3 2,-0.2 -14,-0.2 -14,-0.2 -0.997 22.4 148.4-150.2 136.1 73.1 54.2 4.3 54 53 A T E -C 38 0B 0 -16,-2.3 -16,-2.7 -2,-0.4 270,-0.1 -0.789 47.5 -55.1-150.0-171.4 69.3 54.1 4.1 55 54 A Y - 0 0 44 -18,-0.3 -18,-0.2 -2,-0.2 -1,-0.2 -0.177 35.5-149.2 -67.0 167.7 66.3 54.8 1.8 56 55 A A + 0 0 1 -20,-0.4 -19,-0.2 -19,-0.1 -1,-0.1 0.150 39.1 141.2-135.2 26.1 65.7 58.2 0.2 57 56 A D > - 0 0 58 -21,-0.1 4,-2.4 1,-0.1 340,-0.2 -0.322 64.8-105.0 -61.0 154.0 61.9 58.7 -0.1 58 57 A T H > S+ 0 0 53 338,-0.9 4,-1.7 1,-0.2 5,-0.1 0.870 119.1 44.9 -46.3 -54.6 60.7 62.2 0.6 59 58 A V H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.889 111.5 53.9 -64.6 -38.0 59.2 61.5 4.0 60 59 A H H > S+ 0 0 16 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.933 105.2 53.3 -63.2 -43.3 62.2 59.5 5.0 61 60 A L H X S+ 0 0 30 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.900 108.5 50.6 -57.5 -41.1 64.6 62.4 4.3 62 61 A E H X S+ 0 0 120 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.915 111.2 47.7 -60.9 -45.0 62.5 64.6 6.4 63 62 A R H X S+ 0 0 92 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.908 107.7 56.2 -63.5 -40.6 62.6 62.1 9.3 64 63 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.863 108.0 48.8 -60.5 -34.6 66.4 61.7 8.8 65 64 A Q H X S+ 0 0 105 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.896 110.0 49.6 -72.0 -43.2 66.8 65.5 9.3 66 65 A A H X S+ 0 0 42 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.907 114.0 47.7 -59.1 -41.9 64.7 65.6 12.4 67 66 A A H X S+ 0 0 0 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.941 108.4 53.2 -64.1 -47.7 66.8 62.7 13.7 68 67 A A H >X S+ 0 0 7 -4,-2.5 4,-0.6 1,-0.2 3,-0.6 0.924 111.5 47.0 -55.6 -44.3 70.1 64.4 12.8 69 68 A H H >< S+ 0 0 160 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.902 108.3 55.4 -65.1 -39.7 69.1 67.5 14.8 70 69 A A H 3< S+ 0 0 29 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.715 108.1 46.9 -68.3 -21.0 67.9 65.5 17.8 71 70 A I H X< S+ 0 0 0 -4,-1.2 3,-1.0 -3,-0.6 -62,-0.3 0.448 73.7 123.5-109.8 -0.6 71.2 63.6 18.4 72 71 A V T << S+ 0 0 66 -3,-0.8 -62,-0.2 -4,-0.6 3,-0.1 -0.376 75.5 33.7 -54.5 134.0 73.7 66.4 18.2 73 72 A G T 3 S+ 0 0 25 -64,-3.0 2,-0.4 1,-0.3 -1,-0.2 0.734 92.6 122.5 89.7 19.5 75.6 66.4 21.4 74 73 A R < - 0 0 102 -3,-1.0 -65,-2.5 -65,-0.3 -1,-0.3 -0.944 65.5-110.7-120.4 143.1 75.5 62.6 22.1 75 74 A S B > -A 8 0A 18 -2,-0.4 3,-1.6 -67,-0.3 -67,-0.3 -0.384 22.4-131.7 -61.9 138.4 78.4 60.1 22.5 76 75 A V T 3 S+ 0 0 0 -69,-1.8 44,-0.2 1,-0.3 3,-0.2 0.634 109.2 58.6 -69.5 -10.6 78.7 57.7 19.6 77 76 A F T 3 S+ 0 0 92 -70,-0.4 2,-1.1 1,-0.2 3,-0.3 0.569 86.5 80.4 -89.7 -10.3 78.8 54.9 22.2 78 77 A S <> + 0 0 47 -3,-1.6 4,-2.3 1,-0.2 -1,-0.2 -0.350 48.9 144.7 -91.7 57.7 75.4 55.9 23.6 79 78 A T H > + 0 0 7 -2,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.825 67.6 57.4 -70.6 -28.5 73.3 54.2 20.9 80 79 A N H > S+ 0 0 147 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.954 111.2 43.4 -61.3 -47.8 70.5 53.2 23.4 81 80 A V H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.910 110.5 56.1 -63.6 -41.6 70.0 56.9 24.3 82 81 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.924 105.4 51.0 -62.1 -41.4 70.3 57.9 20.6 83 82 A R H X S+ 0 0 24 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.936 110.8 49.5 -60.5 -42.0 67.4 55.6 19.6 84 83 A A H X S+ 0 0 17 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.879 109.4 50.7 -65.4 -40.5 65.2 57.0 22.4 85 84 A L H X S+ 0 0 35 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.846 110.9 49.3 -63.3 -36.4 66.0 60.6 21.4 86 85 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.891 109.5 52.2 -71.8 -38.0 65.0 59.8 17.8 87 86 A S H X>S+ 0 0 1 -4,-2.3 5,-2.5 -5,-0.2 4,-0.6 0.948 111.6 45.9 -61.1 -46.1 61.9 58.2 19.0 88 87 A D H ><5S+ 0 0 110 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.925 112.0 52.5 -61.0 -44.3 61.0 61.3 21.0 89 88 A A H 3<5S+ 0 0 45 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.838 111.5 44.5 -61.5 -37.0 61.8 63.5 18.0 90 89 A L H 3<5S- 0 0 45 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.539 108.2-125.8 -85.3 -5.2 59.6 61.5 15.6 91 90 A G T <<5 + 0 0 62 -3,-0.9 -3,-0.2 -4,-0.6 -2,-0.1 0.876 57.4 162.2 62.4 37.8 56.8 61.5 18.3 92 91 A G < - 0 0 18 -5,-2.5 -1,-0.2 -6,-0.2 10,-0.1 -0.308 58.2-115.5 -90.0 168.6 56.8 57.8 17.9 93 92 A D 0 0 145 1,-0.1 9,-0.2 -3,-0.1 -1,-0.1 -0.115 360.0 360.0 -90.4 34.6 55.5 54.9 20.0 94 93 A R 0 0 149 7,-0.2 -1,-0.1 -7,-0.2 -7,-0.1 0.303 360.0 360.0 30.2 360.0 59.1 53.8 20.4 95 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 96 101 A A 0 0 74 0, 0.0 172,-0.2 0, 0.0 171,-0.1 0.000 360.0 360.0 360.0 142.0 52.3 41.4 10.4 97 102 A G + 0 0 40 170,-0.7 2,-0.3 1,-0.2 171,-0.1 0.605 360.0 142.6 71.0 9.4 54.3 43.4 7.8 98 103 A M - 0 0 117 169,-0.2 2,-1.4 172,-0.1 -1,-0.2 -0.634 54.9-134.3 -85.4 141.2 53.1 46.7 9.3 99 104 A I - 0 0 87 -2,-0.3 -1,-0.1 -3,-0.1 171,-0.0 -0.650 37.0-177.6 -89.7 81.6 55.2 49.8 9.6 100 105 A T > - 0 0 26 -2,-1.4 4,-2.2 1,-0.1 5,-0.1 0.002 46.1 -95.1 -62.9 177.1 54.4 50.7 13.3 101 106 A S H > S+ 0 0 44 2,-0.2 4,-2.7 1,-0.2 -7,-0.2 0.923 130.8 51.7 -63.3 -40.9 55.7 53.8 14.9 102 107 A A H > S+ 0 0 20 -9,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.884 107.4 52.2 -62.7 -37.6 58.5 51.6 16.3 103 108 A S H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.904 109.5 49.4 -65.5 -41.1 59.2 50.3 12.8 104 109 A V H X S+ 0 0 18 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.932 110.2 51.4 -59.8 -45.5 59.5 53.9 11.6 105 110 A V H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.942 110.1 49.1 -58.4 -48.2 61.9 54.6 14.5 106 111 A D H X S+ 0 0 4 -4,-2.7 4,-2.2 1,-0.2 188,-0.2 0.884 109.3 51.2 -59.9 -37.3 64.1 51.7 13.6 107 112 A R H < S+ 0 0 41 -4,-2.1 -1,-0.2 185,-0.2 -2,-0.2 0.847 115.9 42.2 -68.4 -32.8 64.2 52.7 9.9 108 113 A V H X S+ 0 0 0 -4,-2.0 4,-0.6 -5,-0.2 -2,-0.2 0.899 117.0 46.0 -79.3 -40.4 65.3 56.2 10.9 109 114 A F H >X S+ 0 0 7 -4,-3.0 4,-2.5 -5,-0.2 3,-0.8 0.864 95.1 79.6 -67.5 -39.1 67.8 55.1 13.7 110 115 A S H 3X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 186,-0.2 0.837 92.4 44.0 -44.1 -56.4 69.4 52.4 11.6 111 116 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.853 115.0 50.0 -65.5 -30.5 71.8 54.5 9.5 112 117 A F H S+ 0 0 0 -4,-2.9 5,-1.6 1,-0.2 4,-1.1 0.924 113.1 50.1 -65.5 -42.4 85.5 51.1 15.5 122 127 A Q H <5S+ 0 0 63 -4,-2.6 3,-0.4 250,-0.2 -2,-0.2 0.941 113.0 45.0 -61.3 -46.3 87.6 53.9 14.1 123 128 A V H <5S+ 0 0 48 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.849 120.0 40.4 -71.7 -29.7 88.3 55.5 17.5 124 129 A T H <5S- 0 0 69 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.510 107.9-119.4 -91.3 -6.8 89.1 52.1 19.2 125 130 A G T <5S+ 0 0 38 -4,-1.1 -3,-0.2 -3,-0.4 -4,-0.1 0.706 72.7 125.4 74.3 18.6 91.1 50.7 16.2 126 131 A R < - 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