==== 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 OXIDOREDUCTASE 13-FEB-03 1NYT . COMPND 2 MOLECULE: SHIKIMATE 5-DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.W.ROSZAK,A.J.LAPTHORN . 1081 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44136.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 752 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 153 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 3.3 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 61 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 327 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 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 0 0 4 4 6 0 8 3 11 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 7 13 8 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 . 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 8 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 0 214 0, 0.0 2,-0.5 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 34.2 76.5 14.4 33.9 2 2 A E - 0 0 98 1,-0.1 31,-0.1 29,-0.1 3,-0.0 -0.686 360.0-163.5 -65.1 124.3 74.7 16.3 31.1 3 3 A T S S+ 0 0 17 29,-0.5 53,-3.0 -2,-0.5 54,-1.8 0.479 71.0 46.9 -93.5 -9.5 74.3 19.7 32.7 4 4 A Y E +ab 33 57A 17 28,-1.7 30,-2.4 52,-0.2 2,-0.3 -0.974 67.7 159.4-127.1 148.5 71.6 20.9 30.1 5 5 A A E -ab 34 58A 3 52,-1.0 54,-2.7 -2,-0.3 2,-0.5 -0.985 37.0-119.7-161.4 156.8 68.6 19.0 28.9 6 6 A V E -ab 35 59A 2 28,-2.0 30,-2.9 -2,-0.3 2,-0.4 -0.905 26.8-157.6 -99.1 131.7 65.2 19.3 27.2 7 7 A F E +ab 36 60A 1 52,-2.4 54,-2.8 -2,-0.5 2,-0.3 -0.938 34.1 116.9-111.4 128.3 62.2 18.0 29.3 8 8 A G E -a 37 0A 0 28,-1.7 30,-1.7 -2,-0.4 3,-0.2 -0.975 57.4 -95.3-170.4 175.7 58.9 17.0 27.5 9 9 A N S S+ 0 0 47 53,-2.0 2,-0.2 1,-0.4 28,-0.1 -0.801 111.7 26.1-152.6 109.0 56.5 14.3 26.7 10 10 A P S S+ 0 0 74 0, 0.0 -1,-0.4 0, 0.0 28,-0.1 0.587 79.4 147.4 -76.7 173.4 57.0 13.0 24.1 11 11 A I > + 0 0 11 -2,-0.2 3,-1.8 -3,-0.2 -2,-0.1 0.463 36.3 98.6-144.2 -11.9 60.7 13.7 23.7 12 12 A A T 3 S+ 0 0 74 1,-0.3 25,-0.0 3,-0.0 23,-0.0 0.750 93.7 41.4 -61.2 -25.6 62.5 10.8 21.7 13 13 A H T 3 S+ 0 0 173 2,-0.0 -1,-0.3 0, 0.0 -2,-0.0 0.306 81.6 135.4-107.3 8.4 62.4 12.7 18.4 14 14 A S < - 0 0 22 -3,-1.8 4,-0.3 1,-0.1 -3,-0.1 -0.304 42.3-158.1 -57.2 135.2 63.4 16.2 19.7 15 15 A K S > S+ 0 0 65 1,-0.2 4,-2.5 2,-0.1 5,-0.2 0.356 70.4 97.5 -91.9 1.1 66.0 17.9 17.6 16 16 A S H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.916 79.7 52.1 -59.3 -45.8 67.0 20.2 20.4 17 17 A P H > S+ 0 0 14 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.949 111.5 48.1 -59.8 -37.7 70.0 18.1 21.5 18 18 A F H > S+ 0 0 47 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.942 112.6 48.5 -62.4 -46.9 71.3 18.1 17.9 19 19 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.946 111.9 48.2 -58.2 -49.5 70.8 21.9 17.6 20 20 A H H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.863 108.9 54.2 -62.8 -35.1 72.6 22.6 20.9 21 21 A Q H X S+ 0 0 105 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.882 105.4 53.1 -67.6 -38.7 75.5 20.4 19.9 22 22 A Q H X S+ 0 0 31 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.910 110.1 48.8 -61.3 -40.6 75.9 22.4 16.6 23 23 A F H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.931 108.7 52.6 -62.9 -43.0 76.1 25.6 18.7 24 24 A A H X>S+ 0 0 17 -4,-2.4 5,-1.4 1,-0.2 4,-1.2 0.875 111.2 47.7 -57.7 -41.5 78.7 24.0 21.1 25 25 A Q H <5S+ 0 0 118 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.886 108.6 53.8 -67.3 -40.2 80.8 23.1 18.0 26 26 A Q H <5S+ 0 0 67 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.886 123.4 26.4 -57.8 -43.3 80.5 26.5 16.5 27 27 A L H <5S- 0 0 14 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.395 100.5-124.5-106.6 0.7 81.8 28.3 19.7 28 28 A N T <5 + 0 0 111 -4,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.876 58.4 154.2 51.1 42.3 83.9 25.5 21.2 29 29 A I < - 0 0 21 -5,-1.4 2,-0.5 -6,-0.2 -1,-0.2 -0.822 54.4-114.0-107.8 133.9 81.8 25.8 24.4 30 30 A E + 0 0 152 -2,-0.4 -5,-0.0 1,-0.1 -1,-0.0 -0.557 54.8 148.7 -64.2 111.3 81.2 23.0 27.0 31 31 A H - 0 0 13 -2,-0.5 2,-0.4 -10,-0.0 -7,-0.2 -0.463 24.1-172.6-150.7 66.6 77.5 22.5 26.6 32 32 A P - 0 0 32 0, 0.0 -28,-1.7 0, 0.0 -29,-0.5 -0.554 17.3-177.7 -73.5 117.2 76.6 18.8 27.4 33 33 A Y E +a 4 0A 14 -2,-0.4 -28,-0.3 -30,-0.2 2,-0.1 -0.968 9.1 158.9-134.9 118.0 72.8 18.6 26.4 34 34 A G E -a 5 0A 15 -30,-2.4 -28,-2.0 -2,-0.4 2,-0.3 -0.230 30.7-104.9-114.9-159.9 70.5 15.7 26.7 35 35 A R E -a 6 0A 102 -30,-0.3 2,-0.4 -2,-0.1 -28,-0.2 -0.993 16.7-163.1-140.7 147.7 66.8 14.8 26.9 36 36 A V E -a 7 0A 41 -30,-2.9 -28,-1.7 -2,-0.3 2,-0.9 -0.993 14.6-146.6-133.2 125.1 64.4 13.7 29.6 37 37 A L E -a 8 0A 105 -2,-0.4 -28,-0.2 -30,-0.2 -30,-0.1 -0.816 24.8-161.8 -86.1 103.9 61.0 12.1 29.1 38 38 A A - 0 0 0 -30,-1.7 5,-0.2 -2,-0.9 -2,-0.0 -0.797 21.1-116.4 -88.9 129.7 59.0 13.5 32.1 39 39 A P > - 0 0 56 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.362 26.1-115.1 -58.4 148.4 55.9 11.6 33.0 40 40 A I T 3 S+ 0 0 100 1,-0.3 3,-0.4 2,-0.2 -31,-0.0 0.848 115.9 41.1 -51.7 -41.1 52.7 13.7 32.5 41 41 A N T 3 S+ 0 0 149 1,-0.2 -1,-0.3 2,-0.1 3,-0.0 0.341 117.3 47.1 -89.9 5.7 52.1 13.5 36.3 42 42 A D <> + 0 0 69 -3,-1.9 4,-1.7 2,-0.1 5,-0.2 0.083 62.4 120.5-141.2 27.6 55.6 14.0 37.5 43 43 A F H > S+ 0 0 1 -3,-0.4 4,-2.6 -4,-0.3 5,-0.2 0.902 76.2 54.5 -59.6 -45.9 57.3 16.9 35.6 44 44 A I H > S+ 0 0 56 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.940 111.3 40.1 -64.5 -44.4 58.0 18.9 38.7 45 45 A N H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.858 113.0 56.3 -78.3 -22.9 59.9 16.4 40.8 46 46 A T H X S+ 0 0 33 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.947 112.5 43.0 -64.7 -48.6 61.8 15.1 37.7 47 47 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.926 111.6 54.2 -59.4 -45.2 63.0 18.7 37.1 48 48 A N H X S+ 0 0 46 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.909 107.8 49.8 -58.2 -42.7 63.8 19.2 40.8 49 49 A A H X S+ 0 0 59 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.880 106.6 56.4 -66.2 -36.7 66.0 16.1 40.9 50 50 A F H <>S+ 0 0 31 -4,-1.7 5,-2.5 2,-0.2 4,-0.3 0.919 111.4 42.5 -57.2 -50.2 67.9 17.3 37.8 51 51 A F H ><5S+ 0 0 14 -4,-2.0 3,-1.4 3,-0.2 -2,-0.2 0.900 111.0 54.3 -68.8 -39.5 68.8 20.6 39.4 52 52 A S H 3<5S+ 0 0 114 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.876 105.9 56.4 -59.3 -33.9 69.7 18.9 42.8 53 53 A A T 3<5S- 0 0 91 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.547 134.4 -85.3 -76.7 -7.9 72.0 16.6 40.8 54 54 A G T < 5 + 0 0 28 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.407 69.9 161.0 119.0 0.9 74.0 19.6 39.4 55 55 A G < - 0 0 3 -5,-2.5 -1,-0.3 -6,-0.2 -51,-0.2 -0.288 20.0-168.6 -51.3 140.4 71.9 20.5 36.3 56 56 A K + 0 0 104 -53,-3.0 34,-2.5 1,-0.3 2,-0.3 0.754 62.9 3.0-101.6 -37.9 72.7 24.1 35.1 57 57 A G E -bC 4 89A 0 -54,-1.8 -52,-1.0 32,-0.2 2,-0.4 -0.998 57.4-164.8-151.1 154.5 69.9 24.7 32.6 58 58 A A E -bC 5 88A 0 30,-1.8 30,-2.7 -2,-0.3 2,-0.3 -0.999 11.7-147.1-139.2 142.5 66.8 23.1 31.1 59 59 A N E -bC 6 87A 5 -54,-2.7 -52,-2.4 -2,-0.4 2,-0.4 -0.811 18.9-151.7-100.0 152.2 64.5 23.6 28.2 60 60 A V E +b 7 0A 3 26,-2.1 -52,-0.2 -2,-0.3 2,-0.1 -0.993 16.6 175.9-128.8 124.6 60.8 22.8 28.6 61 61 A T > - 0 0 43 -54,-2.8 3,-2.4 -2,-0.4 4,-0.2 -0.418 38.1 -2.8-114.8-172.7 58.5 21.7 25.8 62 62 A V T 3 S+ 0 0 63 1,-0.3 -53,-2.0 2,-0.2 -1,-0.2 -0.271 119.9 7.5 -49.9 140.1 54.9 20.5 25.4 63 63 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.3 0, 0.0 3,-0.3 -0.823 119.7 62.9-104.9 32.5 52.9 20.1 27.6 64 64 A F <> + 0 0 0 -3,-2.4 4,-2.5 -57,-0.2 5,-0.2 0.287 62.3 102.8-103.0 3.8 54.9 21.5 30.5 65 65 A K H > S+ 0 0 23 1,-0.2 20,-2.2 2,-0.2 4,-1.3 0.839 87.3 44.9 -66.2 -35.0 55.5 25.2 29.8 66 66 A E H > S+ 0 0 81 -3,-0.3 4,-2.1 18,-0.2 -1,-0.2 0.883 111.7 53.6 -73.9 -34.3 52.8 26.5 32.2 67 67 A E H > S+ 0 0 78 -4,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.910 108.2 51.7 -62.6 -38.2 53.9 24.1 34.9 68 68 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 17,-0.3 -1,-0.2 0.854 106.1 53.9 -63.9 -40.4 57.5 25.5 34.5 69 69 A F H < S+ 0 0 66 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.930 109.0 47.8 -58.3 -43.8 56.2 29.0 34.9 70 70 A A H < S+ 0 0 81 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.822 113.8 50.0 -68.4 -30.4 54.5 28.1 38.2 71 71 A R H < S+ 0 0 57 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.851 82.4 106.9 -71.2 -40.2 57.7 26.4 39.4 72 72 A A < - 0 0 15 -4,-2.0 25,-0.2 1,-0.1 3,-0.1 -0.108 55.6-155.3 -55.5 138.8 60.2 29.1 38.6 73 73 A D S S+ 0 0 49 23,-1.6 2,-0.3 1,-0.2 24,-0.2 0.865 83.4 18.5 -76.3 -37.5 61.6 30.9 41.7 74 74 A E E S-d 97 0A 116 22,-1.8 24,-2.9 25,-0.0 2,-0.4 -0.930 75.1-154.9-132.3 150.6 62.4 34.1 39.7 75 75 A L E -d 98 0A 61 -2,-0.3 24,-0.2 22,-0.2 2,-0.1 -0.989 15.3-128.3-130.6 138.4 61.1 35.2 36.3 76 76 A T > - 0 0 33 22,-2.3 4,-2.6 -2,-0.4 5,-0.2 -0.407 40.3-106.5 -68.1 159.9 62.4 37.4 33.5 77 77 A E H > S+ 0 0 61 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.941 119.3 53.4 -58.3 -43.0 59.9 40.0 32.5 78 78 A R H > S+ 0 0 101 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.897 113.7 42.8 -64.1 -37.8 59.1 38.3 29.2 79 79 A A H >>S+ 0 0 0 19,-0.2 4,-2.2 2,-0.2 5,-0.9 0.878 111.5 54.8 -70.8 -40.3 58.3 35.0 31.0 80 80 A A H <5S+ 0 0 46 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.915 111.6 44.0 -58.5 -41.6 56.4 36.7 33.8 81 81 A L H <5S+ 0 0 49 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.862 114.4 49.5 -74.5 -34.8 54.1 38.4 31.3 82 82 A A H <5S- 0 0 5 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.844 92.9-139.7 -71.1 -34.5 53.6 35.3 29.2 83 83 A G T <5S+ 0 0 4 -4,-2.2 2,-0.3 1,-0.2 -14,-0.2 0.768 72.9 94.5 72.4 26.0 52.8 33.0 32.1 84 84 A A < - 0 0 0 -5,-0.9 2,-0.4 -15,-0.1 -1,-0.2 -0.987 55.3-162.9-149.1 143.1 54.9 30.3 30.3 85 85 A V + 0 0 0 -20,-2.2 -17,-0.3 -2,-0.3 15,-0.2 -0.993 19.5 164.1-129.6 130.6 58.5 29.2 30.7 86 86 A N S S+ 0 0 2 13,-1.5 -26,-2.1 -2,-0.4 2,-0.4 0.382 71.2 52.6-119.4 0.2 60.6 27.2 28.2 87 87 A T E -CE 59 99A 0 12,-1.7 12,-3.1 -28,-0.2 2,-0.3 -0.993 61.1-178.5-141.8 127.6 64.1 27.9 29.6 88 88 A L E -CE 58 98A 0 -30,-2.7 -30,-1.8 -2,-0.4 2,-0.4 -0.922 3.9-169.8-124.1 149.4 65.3 27.6 33.2 89 89 A M E -CE 57 97A 37 8,-2.0 8,-2.8 -2,-0.3 2,-0.4 -0.992 23.9-123.0-141.8 132.4 68.7 28.3 34.7 90 90 A R E - E 0 96A 96 -34,-2.5 6,-0.2 -2,-0.4 2,-0.1 -0.604 29.6-147.7 -73.0 130.9 70.1 27.5 38.1 91 91 A L > - 0 0 44 4,-3.1 3,-2.1 -2,-0.4 -1,-0.0 -0.386 30.1 -96.0 -94.2 171.9 71.2 30.6 40.1 92 92 A E T 3 S+ 0 0 195 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.814 124.4 51.3 -62.7 -31.7 74.0 30.8 42.6 93 93 A D T 3 S- 0 0 123 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.322 121.8-104.6 -84.9 6.6 71.7 30.3 45.6 94 94 A G S < S+ 0 0 44 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.0 0.274 80.3 129.4 88.7 -10.5 70.2 27.2 44.0 95 95 A R - 0 0 138 -5,-0.1 -4,-3.1 1,-0.1 2,-0.5 -0.278 58.2-115.4 -73.8 160.4 67.0 28.9 43.0 96 96 A L E - E 0 90A 1 -6,-0.2 -22,-1.8 -25,-0.2 -23,-1.6 -0.903 15.7-152.4-106.3 124.1 65.6 28.6 39.4 97 97 A L E -dE 74 89A 30 -8,-2.8 -8,-2.0 -2,-0.5 2,-0.4 -0.817 14.1-152.2 -84.9 128.5 65.2 31.5 37.0 98 98 A G E +dE 75 88A 0 -24,-2.9 -22,-2.3 -2,-0.5 2,-0.3 -0.867 20.4 169.4-103.4 133.6 62.5 31.0 34.4 99 99 A D E - E 0 87A 3 -12,-3.1 -12,-1.7 -2,-0.4 -13,-1.5 -0.834 26.5-133.9-132.0 170.7 62.7 32.7 30.9 100 100 A N + 0 0 4 -2,-0.3 4,-0.3 -15,-0.2 -15,-0.1 -0.963 25.9 165.0-133.8 115.1 60.8 32.4 27.6 101 101 A T > + 0 0 0 -2,-0.4 4,-2.2 2,-0.1 146,-0.2 0.378 62.6 86.7-107.2 -0.1 62.6 32.2 24.4 102 102 A D H > S+ 0 0 10 2,-0.2 4,-2.5 3,-0.2 5,-0.2 0.910 90.6 48.9 -63.9 -40.2 59.6 31.0 22.3 103 103 A G H > S+ 0 0 3 30,-0.2 4,-2.7 2,-0.2 5,-0.3 0.971 114.6 41.9 -64.2 -54.5 58.5 34.6 21.7 104 104 A V H > S+ 0 0 7 -4,-0.3 4,-2.4 1,-0.2 5,-0.2 0.885 114.4 55.0 -62.1 -34.3 61.9 36.0 20.6 105 105 A G H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.927 110.8 43.1 -68.0 -43.3 62.4 32.7 18.5 106 106 A L H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.951 115.3 47.9 -67.6 -47.6 59.1 33.2 16.6 107 107 A L H X S+ 0 0 3 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.902 111.2 52.7 -60.2 -40.4 59.6 36.9 16.0 108 108 A S H X S+ 0 0 22 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.912 112.4 43.5 -59.4 -44.5 63.1 36.3 14.9 109 109 A D H X S+ 0 0 5 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.905 111.3 53.1 -72.9 -39.3 62.0 33.6 12.3 110 110 A L H X>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.2 6,-0.8 0.890 112.8 46.4 -62.3 -37.8 59.1 35.7 11.0 111 111 A E H ><5S+ 0 0 28 -4,-2.3 3,-0.9 -5,-0.2 -2,-0.2 0.929 110.1 52.6 -67.3 -43.8 61.5 38.6 10.4 112 112 A R H 3<5S+ 0 0 96 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.873 116.9 39.0 -57.7 -40.7 64.0 36.3 8.8 113 113 A L H 3<5S- 0 0 61 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.452 107.9-123.4 -85.9 -5.1 61.3 35.0 6.4 114 114 A S T <<5 + 0 0 89 -3,-0.9 -3,-0.2 -4,-0.5 -4,-0.1 0.869 69.9 134.7 53.9 42.6 59.7 38.4 5.9 115 115 A F < + 0 0 22 -5,-2.6 2,-0.3 -6,-0.2 -4,-0.2 0.437 60.7 49.3 -93.6 -6.1 56.3 36.9 7.1 116 116 A I + 0 0 9 -6,-0.8 -2,-0.0 -9,-0.1 27,-0.0 -0.969 54.3 154.5-134.2 150.5 55.6 39.8 9.4 117 117 A R > - 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0 0 56 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.299 25.5-116.3 -58.1 144.7 54.0 100.1 33.3 312 40 B I T 3 S+ 0 0 103 1,-0.3 3,-0.4 2,-0.2 -2,-0.0 0.841 116.2 41.4 -52.0 -34.1 57.2 98.0 32.9 313 41 B N T 3 S+ 0 0 149 1,-0.2 -1,-0.3 2,-0.1 3,-0.0 0.361 116.9 47.1 -97.1 7.4 57.6 98.1 36.7 314 42 B D <> + 0 0 58 -3,-2.1 4,-1.9 2,-0.1 5,-0.2 0.115 65.4 119.2-139.1 24.9 54.0 97.6 37.7 315 43 B F H > S+ 0 0 1 -3,-0.4 4,-2.9 -4,-0.4 5,-0.3 0.939 78.8 46.9 -63.0 -50.1 52.4 94.7 35.7 316 44 B I H > S+ 0 0 51 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.937 114.4 46.0 -62.7 -44.1 51.5 92.4 38.6 317 45 B N H > S+ 0 0 110 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.869 114.0 49.7 -65.6 -33.7 49.9 95.2 40.7 318 46 B T H X S+ 0 0 29 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.924 113.2 46.2 -68.6 -46.6 48.0 96.5 37.7 319 47 B L H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.898 110.7 53.9 -60.2 -42.8 46.8 92.9 36.8 320 48 B N H X S+ 0 0 54 -4,-2.8 4,-2.3 -5,-0.3 -2,-0.2 0.902 105.9 51.5 -65.1 -38.5 45.9 92.3 40.5 321 49 B A H X S+ 0 0 59 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.905 107.3 54.4 -62.7 -44.2 43.7 95.5 40.6 322 50 B F H <>S+ 0 0 27 -4,-1.8 5,-2.5 1,-0.2 3,-0.4 0.935 113.4 40.7 -52.6 -52.1 41.8 94.4 37.5 323 51 B F H ><5S+ 0 0 7 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.814 112.9 54.5 -71.8 -29.4 41.0 91.0 39.0 324 52 B S H 3<5S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.691 107.7 51.4 -74.6 -22.7 40.2 92.4 42.4 325 53 B A T 3<5S- 0 0 74 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.177 136.3 -72.8-100.6 12.4 37.7 94.9 40.9 326 54 B G T < 5S+ 0 0 32 -3,-0.8 -3,-0.2 1,-0.3 -2,-0.1 0.377 75.9 152.8 120.2 -3.5 35.7 92.4 39.0 327 55 B G < - 0 0 3 -5,-2.5 -1,-0.3 -6,-0.2 -52,-0.2 -0.232 21.1-172.3 -61.0 145.8 37.8 91.3 36.0 328 56 B K + 0 0 73 -53,-2.7 34,-2.9 1,-0.4 2,-0.3 0.750 62.7 9.3-106.1 -41.6 37.1 87.8 34.6 329 57 B G E -lM 276 361C 0 -54,-1.8 -52,-1.1 32,-0.2 -1,-0.4 -0.995 56.5-168.0-147.3 150.6 39.8 87.2 32.0 330 58 B A E -lM 277 360C 0 30,-2.0 30,-2.9 -2,-0.3 2,-0.3 -1.000 13.1-150.5-139.5 143.2 43.0 88.6 30.7 331 59 B N E -lM 278 359C 7 -54,-2.4 -52,-2.6 -2,-0.3 2,-0.4 -0.830 19.7-156.1-100.8 150.4 45.4 88.2 27.8 332 60 B V E +l 279 0C 3 26,-2.3 -52,-0.2 -2,-0.3 2,-0.1 -0.990 15.7 174.1-132.7 123.3 49.1 89.1 28.5 333 61 B T > + 0 0 42 -54,-2.8 3,-2.3 -2,-0.4 4,-0.2 -0.371 36.6 4.0-117.8-165.0 51.5 90.1 25.8 334 62 B V T 3 S+ 0 0 58 1,-0.3 -53,-2.2 2,-0.2 -1,-0.2 -0.292 119.9 5.3 -51.4 138.3 55.1 91.3 25.4 335 63 B P T 3 S+ 0 0 67 0, 0.0 -1,-0.3 0, 0.0 3,-0.3 -0.815 120.0 62.5-105.9 32.9 57.0 91.7 27.7 336 64 B F <> + 0 0 0 -3,-2.3 4,-2.4 -57,-0.2 5,-0.2 0.325 61.1 103.4-107.1 9.8 55.0 90.2 30.6 337 65 B K H > S+ 0 0 21 1,-0.2 20,-2.5 2,-0.2 4,-1.5 0.833 86.9 47.1 -72.3 -31.5 54.2 86.5 29.9 338 66 B E H > S+ 0 0 83 -3,-0.3 4,-1.9 18,-0.2 -1,-0.2 0.891 111.3 52.2 -73.4 -36.2 56.9 85.2 32.3 339 67 B E H > S+ 0 0 80 -4,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.902 108.0 52.1 -61.0 -40.6 55.7 87.6 35.0 340 68 B A H X S+ 0 0 0 -4,-2.4 4,-1.9 17,-0.3 -1,-0.2 0.879 105.6 55.1 -62.7 -38.8 52.1 86.3 34.5 341 69 B F H < S+ 0 0 64 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.928 107.9 48.7 -60.2 -45.8 53.4 82.7 34.9 342 70 B A H < S+ 0 0 82 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.827 113.1 48.1 -62.4 -34.5 54.9 83.6 38.4 343 71 B R H < S+ 0 0 56 -4,-1.6 25,-0.2 -5,-0.1 -1,-0.2 0.804 85.4 107.0 -77.2 -33.3 51.6 85.3 39.5 344 72 B A < - 0 0 15 -4,-1.9 25,-0.2 -5,-0.2 3,-0.1 -0.187 54.7-159.4 -53.3 138.4 49.3 82.5 38.4 345 73 B D S S+ 0 0 64 23,-1.8 2,-0.3 1,-0.3 24,-0.2 0.798 80.6 19.4 -86.5 -31.6 47.9 80.5 41.4 346 74 B E E S-n 369 0C 79 22,-1.9 24,-2.9 25,-0.0 2,-0.4 -0.974 75.5-155.6-135.4 152.1 47.1 77.4 39.3 347 75 B L E -n 370 0C 60 -2,-0.3 24,-0.2 22,-0.2 2,-0.1 -0.967 16.0-127.4-131.5 141.2 48.4 76.4 35.9 348 76 B T > - 0 0 33 22,-2.2 4,-3.0 -2,-0.4 5,-0.2 -0.468 39.9-107.9 -69.8 159.4 47.3 74.3 33.0 349 77 B E H > S+ 0 0 44 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.921 119.1 54.8 -58.3 -42.0 49.8 71.7 32.0 350 78 B R H > S+ 0 0 96 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.906 113.9 42.0 -61.6 -39.3 50.7 73.5 28.8 351 79 B A H >>S+ 0 0 0 19,-0.2 4,-2.0 2,-0.2 5,-0.8 0.880 110.9 55.7 -71.2 -39.9 51.4 76.7 30.8 352 80 B A H <5S+ 0 0 34 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.901 111.5 43.5 -59.0 -42.5 53.2 74.8 33.6 353 81 B L H <5S+ 0 0 51 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.816 114.5 50.5 -74.7 -31.0 55.7 73.3 31.1 354 82 B A H <5S- 0 0 4 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.838 91.7-141.5 -73.2 -33.8 56.2 76.5 29.1 355 83 B G T <5S+ 0 0 5 -4,-2.0 2,-0.3 1,-0.2 -14,-0.2 0.776 72.1 95.1 69.3 25.4 57.0 78.7 32.1 356 84 B A < - 0 0 0 -5,-0.8 2,-0.4 48,-0.1 -1,-0.2 -0.990 55.7-161.9-148.7 141.2 54.9 81.5 30.3 357 85 B V + 0 0 0 -20,-2.5 -17,-0.3 -2,-0.3 15,-0.2 -0.991 20.3 162.0-127.9 127.9 51.3 82.6 30.6 358 86 B N S S+ 0 0 3 13,-1.5 -26,-2.3 -2,-0.4 2,-0.4 0.430 70.9 50.7-119.7 1.0 49.4 84.7 28.0 359 87 B T E -MO 331 371C 0 12,-1.7 12,-3.0 -28,-0.3 2,-0.3 -0.995 62.2-179.0-144.8 123.3 45.8 83.9 29.2 360 88 B L E -MO 330 370C 0 -30,-2.9 -30,-2.0 -2,-0.4 2,-0.4 -0.928 6.2-169.7-122.8 152.5 44.4 84.1 32.7 361 89 B M E -MO 329 369C 20 8,-1.9 8,-2.8 -2,-0.3 2,-0.6 -0.999 23.4-128.9-139.9 130.4 40.9 83.4 34.1 362 90 B R E - O 0 368C 94 -34,-2.9 6,-0.2 -2,-0.4 5,-0.1 -0.730 29.8-144.9 -81.9 121.2 39.7 84.2 37.6 363 91 B L > - 0 0 18 4,-2.9 3,-2.2 -2,-0.6 -1,-0.0 -0.239 31.5 -92.6 -78.0 171.7 38.2 81.1 39.1 364 92 B E T 3 S+ 0 0 119 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.757 127.2 52.1 -61.5 -25.4 35.2 81.0 41.4 365 93 B D T 3 S- 0 0 110 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.343 119.9-107.0 -87.7 2.2 37.5 81.2 44.5 366 94 B G S < S+ 0 0 23 -3,-2.2 -2,-0.1 1,-0.3 2,-0.1 0.347 77.4 136.0 84.5 -4.8 39.3 84.3 43.1 367 95 B R - 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0 0 153 -2,-0.3 3,-1.0 24,-0.1 454,-0.1 -0.937 54.2 -62.1-158.9 166.3 54.7 68.6 9.0 390 118 B P T 3 S+ 0 0 38 0, 0.0 24,-0.2 0, 0.0 25,-0.2 -0.253 112.9 22.7 -55.9 135.5 56.6 65.8 10.8 391 119 B G T 3 S+ 0 0 48 23,-1.9 24,-0.2 22,-0.7 2,-0.2 0.586 79.8 146.3 92.3 12.7 60.3 65.8 10.5 392 120 B L < - 0 0 8 -3,-1.0 24,-2.2 21,-0.2 2,-0.6 -0.493 49.7-125.6 -79.6 157.4 61.2 69.4 9.6 393 121 B R E -p 416 0D 108 22,-0.2 61,-2.6 -2,-0.2 62,-1.6 -0.891 36.2-167.8 -97.1 115.9 64.3 71.1 10.8 394 122 B I E -pq 417 455D 0 22,-2.9 24,-2.7 -2,-0.6 2,-0.6 -0.900 18.6-155.9-114.9 135.0 63.1 74.3 12.5 395 123 B L E -pq 418 456D 0 60,-2.4 62,-2.9 -2,-0.4 2,-0.6 -0.956 11.9-164.0-103.1 122.1 65.1 77.4 13.6 396 124 B L E -pq 419 457D 0 22,-3.1 24,-2.3 -2,-0.6 2,-0.6 -0.938 5.3-156.5-107.7 117.6 63.4 79.3 16.5 397 125 B I E +pq 420 458D 0 60,-2.8 62,-3.0 -2,-0.6 24,-0.2 -0.855 57.4 34.3 -99.8 115.9 64.7 82.8 16.9 398 126 B G - 0 0 2 22,-3.1 22,-0.2 -2,-0.6 62,-0.1 -0.338 53.6-144.6 119.6 154.2 64.2 84.1 20.4 399 127 B A + 0 0 10 -2,-0.1 -1,-0.1 60,-0.1 61,-0.1 0.074 62.3 99.4-146.4 28.5 64.1 82.9 24.0 400 128 B G S > S- 0 0 30 59,-0.4 4,-2.4 -44,-0.0 5,-0.2 0.147 93.6 -55.5 -96.1-152.9 61.4 85.0 25.7 401 129 B G H > S+ 0 0 14 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.857 132.7 48.0 -62.0 -39.7 57.8 84.3 26.6 402 130 B A H > S+ 0 0 22 57,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.924 111.3 50.2 -68.3 -41.6 56.6 83.5 23.1 403 131 B S H >> S+ 0 0 0 56,-0.4 4,-1.4 1,-0.2 3,-0.6 0.948 110.7 50.4 -62.1 -48.1 59.5 81.1 22.4 404 132 B R H 3X S+ 0 0 42 -4,-2.4 4,-0.5 1,-0.2 3,-0.3 0.909 110.1 51.6 -51.7 -43.5 58.7 79.3 25.7 405 133 B G H 3< S+ 0 0 5 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.763 115.8 38.1 -71.1 -25.8 55.0 79.0 24.8 406 134 B V H <>S+ 0 0 1 -4,-2.3 3,-1.1 1,-0.2 5,-0.5 0.901 114.1 48.8 -63.1 -43.4 56.9 72.5 17.8 411 139 B L H ><5S+ 0 0 1 -4,-2.4 3,-1.5 1,-0.2 4,-0.3 0.794 99.5 67.9 -67.5 -26.9 58.7 69.5 19.4 412 140 B S T 3<5S+ 0 0 60 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.666 91.2 63.9 -66.0 -19.6 55.4 67.5 19.6 413 141 B L T < 5S- 0 0 8 -3,-1.1 -22,-0.7 -4,-0.5 -1,-0.3 0.156 119.7-103.1 -89.8 13.4 55.3 67.3 15.8 414 142 B D T < 5S+ 0 0 89 -3,-1.5 -23,-1.9 1,-0.2 2,-0.3 0.936 74.3 145.7 69.6 39.9 58.5 65.3 15.5 415 143 B C < - 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