==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 14-NOV-12 4HYR . COMPND 2 MOLECULE: GLUCARATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACIDAMINOCOCCUS SP. D21; . AUTHOR R.P.HEGDE,R.TORO,S.K.BURLEY,S.C.ALMO,U.A.RAMAGOPAL,NEW YORK . 872 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32153.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 560 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 9.2 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 37 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 269 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 5 3 0 0 2 0 2 0 3 5 6 2 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 5 3 2 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 . 12 2 2 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 7 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 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 L 0 0 109 0, 0.0 556,-0.1 0, 0.0 444,-0.0 0.000 360.0 360.0 360.0 143.5 -1.8 29.1 82.4 2 2 A V - 0 0 62 554,-0.1 555,-0.0 1,-0.1 554,-0.0 0.872 360.0-162.7 53.4 50.9 0.7 28.5 79.5 3 3 A P - 0 0 14 0, 0.0 69,-1.9 0, 0.0 70,-0.4 -0.212 1.5-147.8 -68.7 149.5 -1.9 28.4 76.7 4 4 A V B -A 71 0A 41 67,-0.2 37,-1.9 68,-0.1 2,-0.4 -0.869 20.9-106.0-116.9 149.5 -0.9 26.9 73.3 5 5 A I E +B 40 0B 1 65,-2.9 64,-2.9 -2,-0.3 35,-0.3 -0.610 37.0 173.4 -74.2 124.8 -2.1 27.8 69.8 6 6 A T E + 0 0 77 33,-2.9 2,-0.3 -2,-0.4 34,-0.2 0.635 61.3 19.9-105.7 -17.3 -4.4 25.1 68.6 7 7 A K E -B 39 0B 116 32,-1.5 32,-2.6 60,-0.1 2,-0.4 -0.993 53.1-164.9-157.0 139.1 -5.7 26.5 65.3 8 8 A X E -B 38 0B 21 -2,-0.3 2,-0.4 30,-0.2 30,-0.2 -0.982 11.1-171.4-129.8 124.1 -4.7 29.1 62.7 9 9 A E E -B 37 0B 17 28,-2.9 28,-2.4 -2,-0.4 2,-0.5 -0.894 4.6-162.2-115.7 140.6 -7.1 30.4 60.1 10 10 A V E +B 36 0B 20 -2,-0.4 26,-0.2 26,-0.2 -2,-0.0 -0.981 9.5 179.7-125.1 122.3 -6.2 32.6 57.2 11 11 A Y E -B 35 0B 41 24,-3.3 24,-2.5 -2,-0.5 2,-0.3 -0.932 19.9-149.8-125.5 115.9 -8.8 34.6 55.2 12 12 A P E -B 34 0B 12 0, 0.0 2,-0.3 0, 0.0 22,-0.2 -0.590 32.0-174.5 -69.6 134.6 -8.3 36.9 52.3 13 13 A V E -B 33 0B 0 20,-3.0 20,-2.2 -2,-0.3 2,-0.4 -0.922 17.3-141.8-133.7 161.8 -11.0 39.5 52.5 14 14 A A E -B 32 0B 0 392,-1.7 2,-0.3 -2,-0.3 18,-0.2 -0.950 13.1-175.9-124.6 151.2 -12.3 42.4 50.5 15 15 A G E -B 31 0B 0 16,-2.5 16,-1.9 -2,-0.4 2,-0.3 -0.836 29.7-100.5-137.9 165.9 -13.6 45.8 51.3 16 16 A H E +B 30 0B 38 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.746 39.0 179.6 -92.4 143.9 -15.1 48.7 49.4 17 17 A D - 0 0 2 12,-2.5 144,-0.4 -2,-0.3 2,-0.2 -0.899 26.0-115.6-138.2 162.9 -13.2 51.9 48.6 18 18 A S - 0 0 2 -2,-0.3 2,-2.2 142,-0.1 157,-0.1 -0.459 48.3 -90.3 -89.1 167.9 -13.5 55.2 46.8 19 19 A X - 0 0 3 132,-0.3 132,-2.8 -2,-0.2 2,-0.3 -0.412 57.1-178.2 -81.3 69.8 -11.6 56.1 43.7 20 20 A L B -D 150 0C 0 -2,-2.2 7,-2.8 130,-0.2 2,-0.3 -0.488 15.5-140.7 -76.5 133.8 -8.7 57.6 45.6 21 21 A L E +F 26 0D 1 128,-3.0 128,-0.3 -2,-0.3 2,-0.3 -0.670 32.5 146.6 -98.6 147.7 -5.9 59.0 43.4 22 22 A N E > -F 25 0D 0 3,-2.5 3,-1.8 -2,-0.3 183,-0.1 -0.936 63.1 -78.6-162.0 179.6 -2.2 58.8 44.0 23 23 A L T 3 S+ 0 0 4 181,-0.5 411,-0.5 1,-0.3 414,-0.1 0.818 126.9 55.4 -61.2 -31.0 1.1 58.5 42.0 24 24 A S T 3 S- 0 0 1 1,-0.2 2,-0.4 409,-0.1 -1,-0.3 0.615 121.1-103.8 -76.1 -14.1 0.5 54.8 41.4 25 25 A G E < -F 22 0D 0 -3,-1.8 -3,-2.5 398,-0.1 2,-0.4 -0.989 60.8 -23.6 135.7-131.5 -2.9 55.5 39.8 26 26 A G E -F 21 0D 0 394,-2.6 397,-0.4 -2,-0.4 -5,-0.2 -0.955 59.8-110.3-124.2 140.2 -6.4 55.2 41.2 27 27 A H - 0 0 6 -7,-2.8 393,-0.1 -2,-0.4 4,-0.1 -0.458 35.7-122.5 -64.5 134.4 -7.7 52.9 43.9 28 28 A A - 0 0 32 2,-0.2 -8,-0.2 -2,-0.2 -1,-0.1 -0.246 28.2-103.8 -63.7 162.4 -10.0 50.1 42.7 29 29 A P S S+ 0 0 9 0, 0.0 -12,-2.5 0, 0.0 2,-0.4 0.683 109.2 48.8 -66.4 -17.9 -13.5 49.8 44.0 30 30 A Y E -B 16 0B 37 -14,-0.2 2,-0.3 130,-0.1 -2,-0.2 -0.986 66.0-169.6-122.6 136.8 -12.3 46.9 46.2 31 31 A F E -B 15 0B 20 -16,-1.9 -16,-2.5 -2,-0.4 2,-0.3 -0.832 16.9-140.4-115.6 157.1 -9.2 46.6 48.4 32 32 A T E +B 14 0B 23 -2,-0.3 20,-1.2 -18,-0.2 2,-0.3 -0.904 19.3 175.6-122.2 149.8 -8.0 43.4 49.9 33 33 A R E -BC 13 51B 7 -20,-2.2 -20,-3.0 -2,-0.3 2,-0.5 -0.918 27.3-122.1-138.5 172.1 -6.5 42.3 53.2 34 34 A N E -BC 12 50B 0 16,-2.8 16,-2.3 -2,-0.3 2,-0.4 -0.975 23.8-161.9-118.6 125.9 -5.4 39.1 54.9 35 35 A I E -BC 11 49B 0 -24,-2.5 -24,-3.3 -2,-0.5 2,-0.4 -0.919 1.3-163.2-108.6 132.7 -7.0 38.2 58.2 36 36 A V E -BC 10 48B 0 12,-2.1 12,-1.8 -2,-0.4 2,-0.5 -0.954 3.0-170.5-112.0 131.9 -5.5 35.7 60.6 37 37 A I E -BC 9 47B 1 -28,-2.4 -28,-2.9 -2,-0.4 2,-0.4 -0.965 5.3-168.6-121.8 121.3 -7.5 34.1 63.4 38 38 A L E -BC 8 46B 0 8,-2.8 8,-2.1 -2,-0.5 2,-0.4 -0.823 4.3-159.4-104.7 143.1 -5.7 32.1 66.0 39 39 A T E -BC 7 45B 29 -32,-2.6 -33,-2.9 -2,-0.4 -32,-1.5 -0.961 11.3-153.1-115.6 140.9 -7.5 29.9 68.6 40 40 A D E > -B 5 0B 2 4,-2.4 3,-2.1 -2,-0.4 -35,-0.2 -0.576 32.1 -97.7-108.2 178.4 -5.8 28.8 71.8 41 41 A S T 3 S+ 0 0 67 -37,-1.9 -36,-0.1 1,-0.3 -1,-0.0 0.600 121.4 54.5 -70.8 -12.9 -6.1 25.8 74.2 42 42 A E T 3 S- 0 0 117 -38,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.330 122.8-103.4 -95.4 2.8 -8.4 27.7 76.6 43 43 A G S < S+ 0 0 54 -3,-2.1 -2,-0.2 1,-0.3 2,-0.1 0.582 74.3 143.7 84.1 9.2 -10.8 28.5 73.7 44 44 A N - 0 0 56 75,-0.0 -4,-2.4 1,-0.0 2,-0.4 -0.500 39.9-138.2 -76.1 159.9 -9.6 32.1 73.3 45 45 A T E -C 39 0B 34 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.893 15.5-174.1-118.9 143.7 -9.4 34.0 70.0 46 46 A G E -C 38 0B 0 -8,-2.1 -8,-2.8 -2,-0.4 2,-0.3 -0.985 11.4-159.8-133.6 142.9 -6.7 36.3 68.7 47 47 A V E +C 37 0B 2 -2,-0.3 2,-0.3 67,-0.2 71,-0.2 -0.905 12.3 178.3-129.0 154.0 -6.8 38.3 65.5 48 48 A G E -C 36 0B 0 -12,-1.8 -12,-2.1 -2,-0.3 2,-0.3 -0.974 7.9-162.0-146.1 161.2 -4.6 40.1 63.0 49 49 A E E +C 35 0B 0 -2,-0.3 -14,-0.2 -14,-0.2 3,-0.1 -0.994 17.2 157.4-146.5 133.9 -4.9 41.9 59.7 50 50 A V E -C 34 0B 0 -16,-2.3 -16,-2.8 -2,-0.3 293,-0.1 -0.910 49.8 -48.1-141.6-179.4 -2.3 42.8 57.1 51 51 A P E -C 33 0B 17 0, 0.0 -18,-0.2 0, 0.0 -1,-0.1 0.009 52.9-121.6 -52.6 150.6 -2.1 43.7 53.4 52 52 A G + 0 0 4 -20,-1.2 -19,-0.2 -19,-0.2 5,-0.1 0.249 53.8 139.7 -90.0 11.6 -3.9 41.5 51.0 53 53 A G >> - 0 0 23 -21,-0.2 4,-2.0 1,-0.1 3,-0.6 -0.191 54.8-130.4 -51.7 145.2 -1.4 40.1 48.4 54 54 A P H 3> S+ 0 0 52 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.804 108.9 63.1 -67.1 -23.6 -1.9 36.4 47.4 55 55 A K H 3> S+ 0 0 151 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.897 104.8 47.0 -63.6 -36.2 1.8 35.8 48.2 56 56 A I H <> S+ 0 0 6 -3,-0.6 4,-2.8 2,-0.2 5,-0.2 0.926 110.0 52.7 -70.9 -40.6 1.0 36.7 51.8 57 57 A T H X S+ 0 0 12 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.936 113.1 43.3 -59.7 -45.7 -2.0 34.4 51.9 58 58 A T H X S+ 0 0 69 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.899 112.9 51.7 -70.2 -39.9 -0.0 31.5 50.6 59 59 A A H X S+ 0 0 14 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.946 109.7 50.0 -64.4 -41.3 2.9 32.2 52.9 60 60 A L H X S+ 0 0 0 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.915 111.9 48.2 -62.3 -47.2 0.7 32.4 56.0 61 61 A E H >< S+ 0 0 101 -4,-2.2 3,-0.9 -5,-0.2 4,-0.3 0.935 110.4 52.4 -55.2 -44.2 -0.9 29.1 55.0 62 62 A N H 3< S+ 0 0 115 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.809 113.7 41.5 -68.6 -27.1 2.5 27.5 54.5 63 63 A V H >X S+ 0 0 6 -4,-1.8 3,-1.7 1,-0.2 4,-1.1 0.461 83.8 101.3 -99.7 4.0 3.8 28.5 57.9 64 64 A S H < S+ 0 0 0 -4,-1.1 3,-2.0 -3,-0.2 -62,-0.3 0.913 98.2 83.8 -81.3 -45.3 2.6 28.5 64.7 68 68 A V T 3< S+ 0 0 55 -4,-2.5 -62,-0.2 1,-0.3 3,-0.1 -0.333 94.8 27.3 -62.8 133.7 0.1 25.8 65.7 69 69 A G T 3 S+ 0 0 52 -64,-2.9 -1,-0.3 1,-0.3 2,-0.2 0.269 96.2 118.3 96.5 -7.1 1.3 24.0 68.8 70 70 A T S < S- 0 0 14 -3,-2.0 -65,-2.9 1,-0.1 2,-0.4 -0.546 71.4-103.0 -92.7 155.7 3.4 26.8 70.2 71 71 A K B > -A 4 0A 47 -67,-0.2 3,-1.6 -2,-0.2 -67,-0.2 -0.612 23.3-135.5 -72.0 133.0 3.0 28.7 73.5 72 72 A V G > S+ 0 0 1 -69,-1.9 3,-1.2 -2,-0.4 48,-0.2 0.847 105.5 55.8 -54.7 -42.5 1.4 32.1 73.0 73 73 A S G 3 S+ 0 0 6 -70,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.709 99.3 62.1 -66.7 -17.3 4.0 33.6 75.4 74 74 A D G <> + 0 0 18 -3,-1.6 4,-2.3 1,-0.2 3,-0.3 0.078 65.4 125.7 -94.7 24.7 6.8 32.3 73.2 75 75 A Y H <> + 0 0 2 -3,-1.2 4,-2.8 1,-0.2 5,-0.2 0.799 64.8 60.6 -57.2 -34.6 5.7 34.3 70.2 76 76 A R H > S+ 0 0 21 -3,-0.4 4,-1.8 487,-0.2 -1,-0.2 0.977 110.5 40.1 -58.5 -52.6 9.1 35.9 69.7 77 77 A N H > S+ 0 0 16 -3,-0.3 4,-1.8 486,-0.3 -2,-0.2 0.869 111.3 58.2 -67.7 -30.5 10.7 32.6 69.2 78 78 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.938 106.1 49.2 -59.3 -45.3 7.8 31.4 67.1 79 79 A L H X S+ 0 0 23 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.854 105.9 56.9 -66.4 -29.2 8.4 34.4 64.7 80 80 A L H X S+ 0 0 52 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.925 108.8 46.7 -65.7 -40.6 12.1 33.5 64.5 81 81 A K H X S+ 0 0 93 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.901 111.8 50.6 -66.4 -40.7 11.1 30.0 63.3 82 82 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 3,-0.5 0.954 109.4 51.0 -59.8 -44.9 8.6 31.5 60.8 83 83 A Q H X S+ 0 0 72 -4,-3.0 4,-2.1 1,-0.3 -2,-0.2 0.884 104.1 58.3 -58.8 -42.4 11.3 33.8 59.5 84 84 A A H X S+ 0 0 49 -4,-2.1 4,-1.1 1,-0.2 -1,-0.3 0.872 109.2 44.3 -58.8 -38.7 13.6 30.9 59.0 85 85 A E H >< S+ 0 0 82 -4,-1.5 3,-0.5 -3,-0.5 4,-0.4 0.934 112.7 50.2 -72.1 -41.4 11.1 29.3 56.7 86 86 A L H 3< S+ 0 0 41 -4,-2.7 3,-0.4 1,-0.2 4,-0.3 0.826 112.1 51.4 -61.7 -27.5 10.4 32.5 54.9 87 87 A D H >< S+ 0 0 93 -4,-2.1 3,-1.4 -5,-0.2 -1,-0.2 0.749 80.2 94.0 -82.5 -29.1 14.2 32.9 54.5 88 88 A K T << S+ 0 0 147 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.1 0.786 81.7 56.4 -33.2 -52.5 14.8 29.5 53.0 89 89 A S T 3 S- 0 0 89 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.1 0.906 84.3-151.3 -48.6 -49.6 14.6 30.8 49.4 90 90 A G < + 0 0 72 -3,-1.4 -1,-0.1 1,-0.3 -2,-0.1 0.341 49.0 148.6 78.7 -3.0 17.3 33.4 49.8 91 91 A E - 0 0 152 1,-0.1 2,-0.3 -4,-0.1 -1,-0.3 -0.168 57.3 -91.3 -62.1 153.6 15.1 35.0 47.1 92 92 A K - 0 0 74 -3,-0.1 2,-0.5 1,-0.0 -1,-0.1 -0.551 37.3-175.3 -75.8 128.2 14.8 38.9 46.9 93 93 A D + 0 0 77 -2,-0.3 2,-0.3 -3,-0.1 10,-0.1 -0.866 21.8 168.2-125.7 91.4 12.0 40.4 48.9 94 94 A E - 0 0 147 -2,-0.5 8,-0.2 8,-0.2 -2,-0.0 -0.823 45.3-126.7-114.7 157.1 12.0 44.2 48.2 95 95 A R - 0 0 22 -2,-0.3 7,-2.5 6,-0.1 3,-0.3 0.886 46.9-160.9 -61.7 -46.3 9.7 47.2 48.7 96 96 A G - 0 0 44 1,-0.1 -1,-0.1 5,-0.1 7,-0.1 -0.320 31.5 -71.2 84.8-167.8 9.7 48.3 45.0 97 97 A A S S+ 0 0 60 -2,-0.1 -1,-0.1 4,-0.0 4,-0.1 0.437 89.5 103.1-112.7 2.6 8.8 51.7 43.5 98 98 A Q S S- 0 0 53 2,-0.3 4,-0.1 -3,-0.3 -75,-0.0 -0.174 86.3-102.0 -81.4 177.5 5.0 52.0 43.9 99 99 A T S S+ 0 0 7 2,-0.1 2,-0.3 133,-0.0 -1,-0.1 0.603 109.4 57.0 -69.0 -18.3 3.2 54.1 46.6 100 100 A F S S- 0 0 21 -5,-0.1 2,-0.4 237,-0.0 -2,-0.3 -0.878 96.2-103.6-117.5 157.6 2.6 50.9 48.5 101 101 A D - 0 0 16 -2,-0.3 -5,-0.1 1,-0.1 -6,-0.1 -0.661 20.6-162.7 -89.8 123.0 5.2 48.3 49.7 102 102 A L + 0 0 93 -7,-2.5 -8,-0.2 -2,-0.4 -7,-0.1 0.218 48.4 124.8 -87.7 4.3 5.4 45.0 47.7 103 103 A R - 0 0 23 1,-0.1 -47,-0.1 -10,-0.1 -10,-0.1 -0.328 38.0-172.9 -63.1 162.2 7.2 43.0 50.4 104 104 A T S > S+ 0 0 24 3,-0.1 4,-2.1 -49,-0.1 3,-0.3 0.747 70.0 58.3-118.5 -52.6 5.8 39.7 51.7 105 105 A G H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.856 103.4 50.9 -56.4 -44.1 7.8 38.4 54.7 106 106 A V H > S+ 0 0 34 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 111.4 50.3 -67.9 -32.3 7.3 41.4 57.1 107 107 A H H > S+ 0 0 2 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.883 108.0 52.4 -72.9 -39.7 3.6 41.2 56.5 108 108 A V H X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.935 110.6 48.5 -57.4 -44.5 3.5 37.4 57.2 109 109 A L H >X S+ 0 0 16 -4,-2.4 4,-3.1 1,-0.2 3,-0.7 0.926 111.8 48.4 -66.7 -43.5 5.3 38.0 60.6 110 110 A T H 3X S+ 0 0 0 -4,-2.2 4,-2.7 201,-0.3 -1,-0.2 0.907 105.6 58.8 -62.2 -38.9 3.0 40.9 61.6 111 111 A A H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.759 115.4 35.9 -63.5 -24.8 -0.1 38.8 60.7 112 112 A I H S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.846 113.6 54.8 -74.7 -26.2 -3.0 37.6 67.1 116 116 A C H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.933 110.2 46.4 -64.7 -42.1 -0.3 36.2 69.4 117 117 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.895 110.7 53.2 -65.6 -38.6 -0.2 39.5 71.2 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0.775 129.5 21.1 -71.1 -26.1 18.4 73.4 50.4 278 278 A T H < S- 0 0 19 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.666 86.8-133.3-118.0 -26.3 14.9 74.2 51.7 279 279 A G < + 0 0 57 -4,-2.0 -4,-0.1 -5,-0.5 -3,-0.1 0.585 59.3 134.8 74.9 9.6 14.9 73.9 55.5 280 280 A F - 0 0 5 -6,-0.4 -1,-0.3 -5,-0.1 2,-0.2 -0.707 59.6-117.1 -86.4 142.4 11.7 71.9 55.5 281 281 A P - 0 0 46 0, 0.0 -26,-1.9 0, 0.0 2,-0.3 -0.581 33.1-144.4 -72.3 149.9 11.5 68.8 57.7 282 282 A T E -m 255 0I 0 -2,-0.2 22,-2.9 -28,-0.2 23,-1.9 -0.862 14.1-166.5-117.4 151.4 11.0 65.6 55.7 283 283 A A E -mn 256 305I 0 -28,-1.9 -26,-2.7 -2,-0.3 2,-0.3 -0.899 10.7-164.9-123.5 157.5 9.1 62.5 56.4 284 284 A T E + n 0 306I 0 21,-1.6 23,-2.2 -2,-0.3 -28,-0.0 -1.000 36.6 169.1-144.4 149.4 9.3 59.1 54.6 285 285 A N S S+ 0 0 9 -2,-0.3 -1,-0.1 21,-0.1 21,-0.1 -0.042 93.8 50.4-121.6 20.8 7.5 55.9 54.1 286 286 A X S S+ 0 0 38 2,-0.0 3,-0.2 -185,-0.0 -19,-0.1 0.649 108.9 35.8-127.2 -31.8 9.8 55.1 51.2 287 287 A I S S+ 0 0 13 1,-0.2 10,-0.2 -20,-0.1 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103.8 54.8 -61.4 -33.7 19.3 57.8 56.8 298 298 A L H 3<5S+ 0 0 7 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.828 108.0 49.4 -68.8 -31.7 20.9 58.6 60.1 299 299 A E H <<5S+ 0 0 75 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.880 119.7 34.7 -72.7 -44.2 24.2 59.1 58.4 300 300 A S H <5S- 0 0 40 -4,-1.9 -2,-0.2 0, 0.0 -1,-0.2 0.585 102.0-132.3 -78.7 -16.0 22.9 61.4 55.7 301 301 A Q T <5 + 0 0 77 -4,-1.4 -3,-0.2 -5,-0.3 -4,-0.1 0.953 49.4 159.1 52.5 56.1 20.4 62.9 58.1 302 302 A A < + 0 0 0 -5,-1.7 2,-0.3 -6,-0.1 -27,-0.1 0.664 49.4 34.1 -82.3 -20.6 17.8 62.4 55.3 303 303 A V - 0 0 2 -6,-0.4 -20,-0.2 1,-0.1 3,-0.1 -0.954 43.4-168.0-143.6 145.4 14.6 62.5 57.4 304 304 A D S S+ 0 0 37 -22,-2.9 27,-2.4 -2,-0.3 2,-0.4 0.684 87.6 37.8 -94.5 -32.6 13.1 64.1 60.4 305 305 A I E -no 283 331I 6 -23,-1.9 -21,-1.6 25,-0.2 2,-0.6 -0.991 67.7-158.4-127.7 119.4 10.0 61.9 60.7 306 306 A I E -no 284 332I 1 25,-2.3 27,-2.3 -2,-0.4 2,-0.8 -0.898 10.5-150.2-101.2 117.7 10.1 58.1 60.1 307 307 A L E - o 0 333I 5 -23,-2.2 2,-0.8 -2,-0.6 27,-0.3 -0.867 17.1-173.3 -88.3 102.4 6.6 56.7 59.3 308 308 A A - 0 0 0 25,-2.7 5,-0.1 -2,-0.8 14,-0.1 -0.707 8.9-158.1-108.6 77.9 6.9 53.2 60.6 309 309 A D >> - 0 0 4 -2,-0.8 3,-1.5 1,-0.2 4,-1.2 -0.342 14.0-141.2 -50.6 123.0 3.7 51.3 59.6 310 310 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.772 99.9 65.9 -66.2 -21.0 3.4 48.4 62.0 311 311 A H H 34 S+ 0 0 4 24,-0.2 -201,-0.3 1,-0.2 -200,-0.1 0.812 112.6 32.5 -65.5 -31.9 2.2 46.3 59.1 312 312 A F H <4 S+ 0 0 11 -3,-1.5 -1,-0.2 2,-0.1 -205,-0.1 0.461 131.0 34.1-101.0 -8.3 5.6 46.6 57.5 313 313 A W H < S- 0 0 21 -4,-1.2 4,-0.2 -5,-0.1 -2,-0.2 0.569 108.6-113.7-116.8 -9.6 7.7 46.7 60.7 314 314 A T X - 0 0 25 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.037 34.2 -90.3 71.4 163.5 5.8 44.5 63.0 315 315 A X H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.936 131.1 44.7 -70.4 -48.7 4.1 46.0 66.0 316 316 A N H > S+ 0 0 35 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.873 114.7 51.8 -59.7 -40.5 7.2 45.4 68.3 317 317 A G H > S+ 0 0 5 2,-0.2 4,-2.1 -4,-0.2 -2,-0.2 0.911 106.9 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37 -4,-2.4 -1,-0.2 1,-0.0 -2,-0.2 0.638 100.6-133.4 -76.6 -16.6 30.9 60.3 63.6 734 301 B Q T <5 + 0 0 77 -4,-1.2 -3,-0.2 -5,-0.3 -4,-0.1 0.940 45.3 165.5 51.6 57.2 31.2 56.5 63.0 735 302 B A < + 0 0 0 -5,-1.9 2,-0.3 -6,-0.1 -27,-0.2 0.696 49.7 18.0 -79.2 -23.0 33.3 56.7 66.2 736 303 B V - 0 0 0 -6,-0.4 -20,-0.2 1,-0.1 3,-0.1 -0.944 47.8-149.8-150.1 156.0 33.5 53.0 67.0 737 304 B D S S+ 0 0 47 -22,-2.7 27,-1.9 -2,-0.3 2,-0.4 0.652 90.6 40.3 -92.8 -34.2 33.0 49.5 65.6 738 305 B I E -gh 716 764T 9 -23,-2.1 -21,-1.5 25,-0.2 2,-0.6 -0.991 65.8-158.3-125.9 125.6 31.9 47.8 68.9 739 306 B I E -gh 717 765T 1 25,-2.1 27,-2.0 -2,-0.4 2,-0.5 -0.923 10.0-151.3-104.8 121.3 29.5 49.3 71.5 740 307 B L E + h 0 766T 4 -23,-2.4 2,-0.3 -2,-0.6 27,-0.3 -0.809 17.4 178.1 -93.0 120.6 29.8 47.8 75.0 741 308 B A - 0 0 0 25,-2.5 5,-0.1 -2,-0.5 14,-0.1 -0.743 15.5-155.7-130.1 84.7 26.5 48.0 76.8 742 309 B D >> - 0 0 6 -2,-0.3 3,-2.2 1,-0.2 4,-0.7 -0.415 16.8-137.4 -57.3 126.5 26.5 46.4 80.3 743 310 B P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 3,-0.5 0.790 102.9 65.9 -60.3 -23.3 23.0 45.5 81.1 744 311 B H H 34 S+ 0 0 4 24,-0.2 -201,-0.2 1,-0.2 -200,-0.1 0.753 110.5 36.0 -69.2 -19.8 23.5 46.8 84.6 745 312 B F H <4 S+ 0 0 51 -3,-2.2 -1,-0.2 2,-0.1 -205,-0.1 0.343 131.5 29.7-107.1 -7.2 23.9 50.3 83.1 746 313 B W H < S- 0 0 22 -4,-0.7 4,-0.2 -3,-0.5 -2,-0.2 0.470 108.7-109.7-123.2 -12.0 21.3 49.9 80.4 747 314 B T X - 0 0 25 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.081 36.4 -90.2 76.8 158.3 18.8 47.5 81.8 748 315 B X H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.940 130.4 43.7 -63.3 -52.0 18.5 44.0 80.3 749 316 B N H > S+ 0 0 35 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.878 114.4 52.0 -59.7 -38.6 16.0 45.0 77.7 750 317 B G H > S+ 0 0 4 2,-0.2 4,-2.2 -4,-0.2 -2,-0.2 0.945 107.6 49.5 -68.6 -42.8 17.9 48.1 76.9 751 318 B S H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.918 111.6 50.3 -59.4 -43.0 21.3 46.3 76.4 752 319 B V H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.918 108.1 53.0 -63.3 -38.6 19.5 43.9 74.0 753 320 B R H X S+ 0 0 36 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.876 108.7 49.6 -65.3 -37.7 18.0 46.9 72.1 754 321 B V H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.929 111.5 50.5 -61.0 -41.9 21.5 48.3 71.7 755 322 B A H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.874 108.3 50.5 -65.7 -43.8 22.6 44.9 70.5 756 323 B Q H X S+ 0 0 9 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.926 111.2 48.9 -58.2 -50.0 19.8 44.7 68.0 757 324 B X H X S+ 0 0 6 -4,-2.1 4,-2.0 2,-0.2 6,-0.3 0.921 109.7 52.4 -55.5 -45.1 20.6 48.2 66.6 758 325 B C H X>S+ 0 0 0 -4,-2.7 5,-2.1 2,-0.2 4,-0.7 0.962 112.7 44.1 -56.7 -51.7 24.3 47.3 66.3 759 326 B H H ><5S+ 0 0 92 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.926 113.9 51.2 -56.3 -44.5 23.5 44.2 64.3 760 327 B E H 3<5S+ 0 0 45 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.769 114.9 40.9 -70.3 -26.6 20.9 46.1 62.2 761 328 B F H 3<5S- 0 0 32 -4,-2.0 -1,-0.3 -3,-0.4 -2,-0.2 0.336 119.5-101.8-103.2 -0.5 23.3 48.9 61.3 762 329 B G T <<5S+ 0 0 70 -3,-1.0 -3,-0.2 -4,-0.7 -4,-0.1 0.498 87.1 111.8 88.6 7.9 26.5 46.7 60.7 763 330 B Y < - 0 0 27 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