==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 13-JUN-01 1JDF . COMPND 2 MOLECULE: GLUCARATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.M.GULICK,B.K.HUBBARD,J.A.GERLT,I.RAYMENT . 1768 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56319.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1131 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 167 9.4 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 . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 0.7 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 . 74 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 182 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 538 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.0 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 9 4 0 4 0 0 8 4 8 2 14 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 16 8 4 4 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 . 26 5 4 0 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 22 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 5 A F 0 0 98 0, 0.0 2,-0.2 0, 0.0 888,-0.0 0.000 360.0 360.0 360.0 28.4 2.4 -26.2 -43.3 2 6 A T - 0 0 93 887,-0.0 1008,-0.1 1008,-0.0 1007,-0.1 -0.611 360.0-123.0 -95.4 158.1 -0.8 -24.2 -43.9 3 7 A T - 0 0 21 -2,-0.2 39,-0.1 1,-0.1 885,-0.0 -0.865 26.5-111.0-107.2 136.7 -2.9 -22.6 -41.1 4 8 A P - 0 0 0 0, 0.0 69,-1.7 0, 0.0 2,-0.4 -0.117 20.6-146.7 -60.6 154.0 -6.6 -23.3 -40.6 5 9 A V B -A 72 0A 45 67,-0.2 37,-1.9 68,-0.1 2,-0.2 -0.979 28.5-107.3-123.3 134.5 -9.4 -20.8 -41.1 6 10 A V E -B 41 0B 2 65,-2.8 64,-2.5 -2,-0.4 35,-0.3 -0.470 36.5-180.0 -63.8 125.8 -12.6 -20.8 -39.0 7 11 A T E - 0 0 65 33,-2.8 2,-0.3 1,-0.3 34,-0.2 0.738 59.4 -3.5 -99.2 -30.0 -15.3 -22.1 -41.2 8 12 A E E -B 40 0B 96 32,-1.5 32,-2.2 60,-0.1 -1,-0.3 -0.996 51.2-168.8-161.8 160.4 -18.3 -22.0 -38.8 9 13 A M E +B 39 0B 14 -2,-0.3 2,-0.3 30,-0.2 30,-0.2 -0.980 9.7 173.1-153.8 138.8 -19.4 -21.3 -35.3 10 14 A Q E -B 38 0B 88 28,-1.9 28,-2.1 -2,-0.3 2,-0.4 -0.980 21.5-140.5-146.0 157.5 -22.6 -21.8 -33.3 11 15 A V E -B 37 0B 16 -2,-0.3 26,-0.2 26,-0.2 -2,-0.0 -0.978 15.3-169.2-120.5 130.9 -23.8 -21.5 -29.7 12 16 A I E -B 36 0B 10 24,-2.6 24,-1.8 -2,-0.4 2,-0.1 -0.931 14.9-142.2-125.6 108.8 -26.1 -24.1 -28.2 13 17 A P E -B 35 0B 7 0, 0.0 2,-0.3 0, 0.0 22,-0.2 -0.444 28.3-178.7 -68.3 139.1 -27.9 -23.4 -24.9 14 18 A V E -B 34 0B 0 20,-2.7 20,-2.2 -2,-0.1 2,-0.3 -0.910 15.1-154.9-136.9 163.8 -28.0 -26.4 -22.7 15 19 A A E -B 33 0B 3 391,-1.0 2,-0.2 -2,-0.3 18,-0.2 -0.951 8.6-175.7-138.3 157.9 -29.4 -27.5 -19.3 16 20 A G E -B 32 0B 1 16,-2.5 16,-1.5 -2,-0.3 2,-0.3 -0.797 32.4 -87.5-140.9-177.1 -28.6 -30.1 -16.7 17 21 A H E +B 31 0B 49 -2,-0.2 2,-0.3 14,-0.2 14,-0.2 -0.775 40.8 179.8-100.2 143.7 -29.9 -31.4 -13.3 18 22 A D - 0 0 8 12,-2.1 143,-0.3 -2,-0.3 350,-0.1 -0.980 24.7-116.3-143.0 152.3 -28.8 -30.0 -10.0 19 23 A S - 0 0 3 -2,-0.3 2,-2.2 141,-0.1 156,-0.1 -0.255 46.7 -87.6 -79.9 173.6 -29.6 -30.6 -6.3 20 24 A M - 0 0 2 131,-0.3 131,-2.8 155,-0.1 2,-0.3 -0.387 58.9-178.8 -82.3 62.7 -31.3 -28.2 -4.0 21 25 A L B -D 150 0C 0 -2,-2.2 7,-2.6 129,-0.2 2,-0.3 -0.478 15.8-142.8 -67.8 123.2 -28.0 -26.5 -3.1 22 26 A M E +F 27 0D 1 127,-2.3 127,-0.5 -2,-0.3 2,-0.3 -0.653 32.1 147.2 -91.5 143.3 -28.4 -23.7 -0.5 23 27 A N E > -F 26 0D 0 3,-2.7 3,-2.1 -2,-0.3 182,-0.2 -0.940 63.1 -78.9-158.7 176.9 -26.4 -20.4 -0.6 24 28 A L T 3 S+ 0 0 1 180,-0.5 410,-0.5 1,-0.3 413,-0.1 0.846 127.4 55.3 -54.3 -36.0 -26.7 -16.7 0.2 25 29 A S T 3 S- 0 0 2 1,-0.2 2,-0.4 408,-0.1 -1,-0.3 0.600 120.4-105.7 -74.3 -11.5 -28.6 -16.2 -3.1 26 30 A G E < -F 23 0D 0 -3,-2.1 -3,-2.7 397,-0.1 2,-0.4 -0.983 61.8 -20.4 131.5-131.5 -31.1 -18.8 -2.1 27 31 A A E -F 22 0D 0 393,-2.2 396,-0.5 -2,-0.4 397,-0.2 -0.977 62.3-112.5-124.7 133.1 -31.7 -22.3 -3.4 28 32 A H - 0 0 6 -7,-2.6 4,-0.1 -2,-0.4 392,-0.1 -0.336 36.1-116.3 -60.8 143.4 -30.4 -23.8 -6.7 29 33 A A - 0 0 25 2,-0.2 -8,-0.2 1,-0.1 -1,-0.1 -0.351 27.3-107.2 -74.7 160.4 -33.1 -24.6 -9.2 30 34 A P S S+ 0 0 3 0, 0.0 -12,-2.1 0, 0.0 2,-0.4 0.655 108.0 50.0 -65.1 -11.6 -33.6 -28.2 -10.2 31 35 A F E -B 17 0B 24 -14,-0.2 2,-0.3 129,-0.1 -2,-0.2 -0.990 69.3-163.6-129.2 134.6 -32.0 -27.3 -13.5 32 36 A F E -B 16 0B 19 -16,-1.5 -16,-2.5 -2,-0.4 2,-0.3 -0.847 14.0-141.8-113.4 155.4 -28.8 -25.4 -14.2 33 37 A T E +B 15 0B 18 -2,-0.3 20,-1.5 -18,-0.2 2,-0.3 -0.906 20.1 170.2-123.1 148.7 -27.9 -23.8 -17.6 34 38 A R E -BC 14 52B 6 -20,-2.2 -20,-2.7 -2,-0.3 2,-0.5 -0.893 27.6-125.7-142.6 167.2 -24.8 -23.3 -19.7 35 39 A N E -BC 13 51B 0 16,-2.9 16,-2.1 -2,-0.3 2,-0.5 -0.989 20.5-150.7-122.9 127.6 -23.9 -22.1 -23.2 36 40 A I E -BC 12 50B 0 -24,-1.8 -24,-2.6 -2,-0.5 2,-0.4 -0.854 5.5-159.8-103.5 130.6 -21.9 -24.3 -25.5 37 41 A V E -BC 11 49B 0 12,-2.9 12,-2.0 -2,-0.5 2,-0.4 -0.901 8.1-175.3-109.1 134.6 -19.6 -22.8 -28.2 38 42 A I E +BC 10 48B 9 -28,-2.1 -28,-1.9 -2,-0.4 2,-0.4 -0.990 3.3 178.3-133.0 123.3 -18.5 -24.9 -31.1 39 43 A I E -BC 9 47B 0 8,-2.7 8,-3.6 -2,-0.4 2,-0.3 -0.980 5.1-169.5-127.2 138.8 -16.0 -23.7 -33.7 40 44 A K E -BC 8 46B 78 -32,-2.2 -33,-2.8 -2,-0.4 -32,-1.5 -0.918 4.0-157.7-125.9 152.4 -14.7 -25.6 -36.7 41 45 A D E > -B 6 0B 6 4,-1.5 3,-1.6 -2,-0.3 4,-0.5 -0.749 37.0 -98.5-123.2 171.6 -11.9 -24.8 -39.2 42 46 A N T 3 S+ 0 0 78 -37,-1.9 -36,-0.1 1,-0.3 -2,-0.0 0.240 113.3 72.8 -76.3 15.4 -11.0 -25.9 -42.7 43 47 A S T 3 S- 0 0 24 -38,-0.2 -1,-0.3 2,-0.1 -37,-0.1 0.317 118.4-103.9-106.4 3.6 -8.5 -28.4 -41.4 44 48 A G S < S+ 0 0 69 -3,-1.6 2,-0.3 1,-0.3 -2,-0.2 0.786 76.8 136.0 80.5 29.5 -11.4 -30.6 -40.2 45 49 A H - 0 0 57 -4,-0.5 -4,-1.5 2,-0.0 2,-0.4 -0.804 41.6-151.2-113.1 153.3 -11.1 -29.8 -36.5 46 50 A T E -C 40 0B 53 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.982 8.3-167.9-124.8 127.5 -13.7 -28.9 -33.9 47 51 A G E -C 39 0B 0 -8,-3.6 -8,-2.7 -2,-0.4 2,-0.3 -0.918 9.8-161.2-114.3 140.7 -13.0 -26.7 -30.9 48 52 A V E +C 38 0B 4 -2,-0.4 2,-0.3 66,-0.3 -10,-0.2 -0.865 11.6 179.7-125.3 157.8 -15.4 -26.4 -27.9 49 53 A G E -C 37 0B 0 -12,-2.0 -12,-2.9 -2,-0.3 2,-0.4 -0.987 9.5-158.3-149.7 152.5 -16.1 -24.1 -25.1 50 54 A E E +C 36 0B 0 -2,-0.3 -14,-0.2 -14,-0.2 3,-0.1 -0.999 19.4 159.7-137.8 132.6 -18.6 -23.9 -22.2 51 55 A I E -C 35 0B 0 -16,-2.1 -16,-2.9 -2,-0.4 292,-0.1 -0.899 47.4 -56.3-143.7 171.1 -19.7 -20.9 -20.2 52 56 A P E -C 34 0B 19 0, 0.0 -18,-0.3 0, 0.0 -1,-0.1 -0.041 58.9-116.6 -49.2 150.7 -22.6 -19.7 -17.9 53 57 A G + 0 0 13 -20,-1.5 365,-0.3 -19,-0.2 2,-0.1 -0.257 53.9 110.7 -86.3 176.9 -26.1 -19.8 -19.3 54 58 A G > - 0 0 3 -20,-0.2 4,-2.1 363,-0.2 5,-0.1 -0.338 67.8-102.3 130.4 147.4 -28.6 -17.1 -20.0 55 59 A E H > S+ 0 0 96 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.836 116.2 58.0 -68.4 -33.6 -30.2 -15.6 -23.1 56 60 A K H > S+ 0 0 102 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.955 111.0 42.0 -62.6 -47.3 -28.0 -12.4 -23.0 57 61 A I H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.915 115.6 50.4 -64.3 -43.4 -24.8 -14.5 -23.2 58 62 A R H X S+ 0 0 43 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.943 113.8 44.3 -60.0 -49.7 -26.3 -16.8 -25.8 59 63 A K H X S+ 0 0 74 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.897 111.6 52.4 -63.4 -42.6 -27.4 -13.9 -28.0 60 64 A T H X S+ 0 0 0 -4,-2.5 4,-1.4 -5,-0.3 -1,-0.2 0.894 108.5 51.9 -62.1 -38.9 -24.1 -12.0 -27.6 61 65 A L H X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.915 110.0 49.4 -62.7 -41.5 -22.3 -15.1 -28.7 62 66 A E H >< S+ 0 0 89 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.898 108.2 52.6 -64.2 -41.2 -24.5 -15.3 -31.8 63 67 A D H 3< S+ 0 0 49 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.795 107.0 55.3 -63.5 -29.0 -23.9 -11.7 -32.6 64 68 A A H >X S+ 0 0 0 -4,-1.4 3,-1.9 1,-0.2 4,-0.7 0.671 79.9 92.1 -79.6 -19.1 -20.1 -12.3 -32.4 65 69 A I H XX S+ 0 0 38 -4,-0.8 4,-2.3 -3,-0.8 3,-1.7 0.859 81.3 55.5 -44.2 -48.4 -20.1 -15.1 -35.0 66 70 A P H 34 S+ 0 0 99 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.799 104.3 55.9 -59.0 -25.9 -19.4 -12.8 -37.9 67 71 A L H <4 S+ 0 0 37 -3,-1.9 -2,-0.2 -4,-0.2 16,-0.1 0.627 115.8 37.0 -80.7 -12.4 -16.3 -11.6 -36.1 68 72 A V H X< S+ 0 0 0 -3,-1.7 3,-1.6 -4,-0.7 -62,-0.3 0.850 94.6 81.6-104.6 -53.5 -15.0 -15.1 -35.7 69 73 A V T 3< S+ 0 0 52 -4,-2.3 -62,-0.2 1,-0.2 3,-0.1 -0.313 96.0 28.8 -59.5 136.4 -15.8 -17.1 -38.9 70 74 A G T 3 S+ 0 0 53 -64,-2.5 2,-0.3 1,-0.3 -1,-0.2 0.446 94.4 117.3 93.3 0.2 -13.3 -16.4 -41.7 71 75 A K < - 0 0 53 -3,-1.6 -65,-2.8 -65,-0.1 -1,-0.3 -0.773 66.5-117.8-102.2 146.1 -10.4 -15.7 -39.4 72 76 A T B > -A 5 0A 33 -2,-0.3 3,-2.3 -67,-0.2 -67,-0.2 -0.499 27.6-114.1 -78.6 152.6 -7.2 -17.7 -39.3 73 77 A L G > S+ 0 0 1 -69,-1.7 3,-1.9 1,-0.3 4,-0.2 0.828 114.8 65.5 -55.3 -33.2 -6.4 -19.4 -35.9 74 78 A G G 3 S+ 0 0 0 936,-0.4 3,-0.3 -70,-0.3 -1,-0.3 0.606 94.2 60.3 -66.6 -11.4 -3.4 -17.1 -35.6 75 79 A E G <> S+ 0 0 58 -3,-2.3 4,-2.9 1,-0.2 -1,-0.3 0.293 70.0 110.2 -97.0 8.3 -5.7 -14.2 -35.3 76 80 A Y H <> S+ 0 0 12 -3,-1.9 4,-2.6 1,-0.2 5,-0.2 0.848 76.7 50.4 -55.1 -37.6 -7.4 -15.5 -32.2 77 81 A K H > S+ 0 0 10 -3,-0.3 4,-1.8 939,-0.3 -1,-0.2 0.917 113.8 44.9 -67.9 -40.2 -5.9 -12.9 -29.9 78 82 A N H > S+ 0 0 42 -3,-0.2 4,-1.9 938,-0.2 -2,-0.2 0.869 113.7 51.5 -69.6 -34.9 -7.0 -10.1 -32.3 79 83 A V H X S+ 0 0 2 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.920 108.5 49.6 -67.4 -45.0 -10.5 -11.8 -32.6 80 84 A L H X S+ 0 0 11 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.912 112.3 48.6 -61.0 -41.7 -11.0 -12.0 -28.9 81 85 A T H X S+ 0 0 24 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.863 111.0 50.0 -67.2 -36.1 -10.1 -8.4 -28.4 82 86 A L H X S+ 0 0 69 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.928 111.7 48.2 -67.8 -43.5 -12.4 -7.3 -31.2 83 87 A V H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.898 112.4 50.8 -61.8 -39.9 -15.3 -9.3 -29.7 84 88 A R H < S+ 0 0 115 -4,-2.3 4,-0.5 -5,-0.2 -2,-0.2 0.939 113.1 41.9 -65.1 -49.0 -14.5 -7.8 -26.3 85 89 A N H >< S+ 0 0 110 -4,-2.4 3,-0.6 1,-0.2 4,-0.3 0.864 110.4 58.9 -68.2 -35.1 -14.5 -4.2 -27.5 86 90 A T H 3< S+ 0 0 69 -4,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.888 120.1 25.4 -61.5 -40.5 -17.5 -4.6 -29.7 87 91 A F T >< S+ 0 0 13 -4,-1.6 3,-1.9 -5,-0.2 18,-0.3 0.197 83.5 120.5-111.2 16.2 -19.8 -5.7 -26.9 88 92 A A G X + 0 0 52 -3,-0.6 3,-1.9 -4,-0.5 -1,-0.1 0.825 66.8 62.9 -49.5 -42.0 -18.1 -4.1 -23.9 89 93 A D G > S+ 0 0 125 -4,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.662 84.9 74.6 -62.9 -16.3 -21.1 -2.0 -22.8 90 94 A R G < S+ 0 0 74 -3,-1.9 -1,-0.3 1,-0.3 3,-0.2 0.609 95.9 52.5 -72.2 -7.8 -23.2 -5.1 -22.1 91 95 A D G X S+ 0 0 31 -3,-1.9 3,-2.4 -4,-0.2 -1,-0.3 0.226 73.2 116.4-107.7 10.4 -21.1 -5.5 -19.0 92 96 A A T < S+ 0 0 79 -3,-1.7 -1,-0.1 1,-0.3 -2,-0.1 0.840 71.2 57.5 -46.7 -41.8 -21.8 -1.9 -17.9 93 97 A G T 3 S- 0 0 78 -3,-0.2 -1,-0.3 -4,-0.2 3,-0.3 0.649 99.0-151.0 -68.4 -15.2 -23.6 -3.1 -14.7 94 98 A G < - 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0 0 0 25,-1.4 5,-0.1 -2,-1.4 14,-0.1 -0.529 6.5-159.5 -81.9 79.3 -9.6 -16.5 -10.7 309 313 A D >> - 0 0 2 -2,-1.7 3,-1.4 1,-0.2 4,-1.2 -0.401 12.9-142.9 -57.7 115.7 -12.4 -18.4 -12.3 310 314 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.747 95.0 70.2 -56.9 -22.0 -11.3 -18.6 -16.0 311 315 A H H 34 S+ 0 0 3 24,-0.3 -201,-0.3 1,-0.2 -200,-0.2 0.865 113.4 24.5 -65.7 -36.3 -15.0 -18.2 -17.0 312 316 A F H <4 S+ 0 0 4 -3,-1.4 -1,-0.2 2,-0.1 -205,-0.1 0.435 131.2 42.3-108.4 3.9 -15.1 -14.6 -15.8 313 317 A W H < S- 0 0 13 -4,-1.2 4,-0.2 -5,-0.1 -2,-0.2 0.485 110.4-120.7-116.0 -12.1 -11.4 -13.8 -16.1 314 318 A T X - 0 0 14 -4,-2.0 4,-2.7 -5,-0.3 5,-0.2 0.140 31.2 -87.6 77.8 157.9 -10.9 -15.6 -19.5 315 319 A M H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.925 130.1 42.1 -65.7 -45.4 -8.4 -18.5 -19.7 316 320 A Q H > S+ 0 0 29 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.822 114.7 54.0 -70.9 -28.8 -5.4 -16.4 -20.5 317 321 A G H > S+ 0 0 2 -4,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.947 107.0 49.2 -68.5 -48.1 -6.6 -13.8 -17.9 318 322 A S H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.881 111.1 50.6 -58.0 -40.3 -6.8 -16.4 -15.1 319 323 A V H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.882 106.0 55.1 -67.6 -37.0 -3.3 -17.6 -16.0 320 324 A R H X S+ 0 0 27 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.866 108.6 48.6 -62.4 -34.3 -2.0 -14.1 -15.8 321 325 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.858 110.2 52.5 -70.7 -34.9 -3.5 -13.9 -12.3 322 326 A A H X S+ 0 0 2 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.899 109.6 47.7 -66.1 -43.2 -1.8 -17.2 -11.5 323 327 A Q H X S+ 0 0 6 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.936 111.9 50.2 -63.2 -46.7 1.6 -15.9 -12.7 324 328 A M H X S+ 0 0 11 -4,-2.1 4,-2.7 1,-0.2 6,-0.3 0.896 108.3 53.1 -59.4 -41.7 1.1 -12.7 -10.7 325 329 A C H X>S+ 0 0 1 -4,-2.3 5,-2.4 1,-0.2 4,-1.0 0.927 112.4 44.3 -59.6 -45.3 0.2 -14.8 -7.6 326 330 A H H <5S+ 0 0 103 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.911 116.0 47.8 -64.7 -42.8 3.4 -16.8 -8.0 327 331 A E H <5S+ 0 0 39 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.789 118.5 38.6 -70.2 -30.5 5.4 -13.7 -8.7 328 332 A F H <5S- 0 0 35 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.434 116.2-105.2-100.8 -1.2 4.1 -11.6 -5.7 329 333 A G T <5S+ 0 0 46 -4,-1.0 -3,-0.2 -3,-0.3 -4,-0.1 0.647 78.3 127.4 88.6 13.5 3.9 -14.5 -3.2 330 334 A L < - 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