==== 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 HYDROLASE (UREA AMIDO) 20-JUN-95 1KRA . COMPND 2 MOLECULE: UREASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA AEROGENES; . AUTHOR E.JABRI,P.A.KARPLUS . 767 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29005.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 516 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 7 0.9 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 . 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 . 47 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.7 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 3 1 2 3 3 0 0 2 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 5 2 3 2 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 . 1 4 6 3 1 0 1 2 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 . 6 2 1 2 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 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 0 178 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.1 100.2 78.4 92.7 2 2 A E - 0 0 174 1,-0.2 2,-0.2 0, 0.0 0, 0.0 0.921 360.0-161.5 53.3 53.1 97.4 76.1 91.6 3 3 A L - 0 0 61 4,-0.1 -1,-0.2 2,-0.0 0, 0.0 -0.469 2.9-148.3 -70.3 128.8 94.7 78.4 92.9 4 4 A T >> - 0 0 42 -2,-0.2 4,-2.0 1,-0.1 3,-0.7 -0.444 32.7 -97.5 -86.2 167.8 91.4 76.8 93.3 5 5 A P H 3> S+ 0 0 102 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.895 123.5 55.3 -56.4 -42.3 88.1 78.8 92.8 6 6 A R H 3> S+ 0 0 113 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.815 107.9 49.0 -63.0 -29.6 87.7 79.4 96.5 7 7 A E H <> S+ 0 0 84 -3,-0.7 4,-0.9 2,-0.2 -1,-0.2 0.908 112.7 46.9 -74.8 -42.3 91.2 81.0 96.7 8 8 A K H X S+ 0 0 123 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.807 109.3 55.6 -67.6 -31.6 90.5 83.2 93.7 9 9 A D H >X S+ 0 0 22 -4,-2.2 3,-1.4 1,-0.2 4,-1.1 0.919 104.4 52.2 -67.7 -43.3 87.2 84.2 95.1 10 10 A K H 3X S+ 0 0 39 -4,-1.5 4,-2.6 1,-0.3 -1,-0.2 0.762 96.8 68.5 -65.5 -24.7 88.8 85.4 98.4 11 11 A L H 3X S+ 0 0 93 -4,-0.9 4,-2.1 1,-0.2 -1,-0.3 0.814 97.9 53.2 -62.4 -29.1 91.1 87.5 96.3 12 12 A L H S+ 0 0 46 -4,-1.7 5,-2.1 1,-0.2 3,-0.5 0.900 109.6 50.3 -62.8 -40.1 88.8 105.5 102.1 24 24 A L H ><5S+ 0 0 49 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.867 107.4 55.7 -64.4 -36.0 88.8 104.9 105.9 25 25 A A H 3<5S+ 0 0 88 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.754 102.5 55.4 -68.3 -26.2 92.3 106.3 105.9 26 26 A R T 3<5S- 0 0 163 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.552 123.3-107.6 -80.7 -13.5 91.1 109.4 104.1 27 27 A G T < 5 + 0 0 65 -3,-1.0 -3,-0.2 -4,-0.5 2,-0.2 0.658 68.6 147.3 96.4 17.2 88.6 109.9 107.0 28 28 A L < - 0 0 87 -5,-2.1 2,-0.6 1,-0.1 -1,-0.3 -0.491 55.0-113.4 -84.2 154.7 85.4 108.9 105.2 29 29 A K - 0 0 125 -2,-0.2 40,-0.3 40,-0.1 39,-0.1 -0.805 41.5-124.8 -85.3 121.4 82.5 107.2 106.8 30 30 A L B -a 69 0A 0 38,-2.0 40,-2.9 -2,-0.6 43,-0.1 -0.295 19.5-138.7 -68.9 154.6 82.4 103.8 105.2 31 31 A N > - 0 0 8 38,-0.2 4,-2.1 736,-0.1 5,-0.2 -0.206 38.1 -76.6 -98.3-167.0 79.2 102.4 103.5 32 32 A Y H > S+ 0 0 58 733,-1.9 4,-2.2 2,-0.2 5,-0.2 0.987 125.9 38.6 -60.0 -64.5 77.7 99.0 103.6 33 33 A P H > S+ 0 0 22 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.862 116.7 52.3 -58.1 -34.4 80.0 97.0 101.2 34 34 A E H > S+ 0 0 12 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.964 109.7 49.1 -65.5 -49.2 83.1 98.7 102.4 35 35 A S H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 5,-0.3 0.911 112.7 46.4 -55.5 -47.8 82.4 97.9 106.0 36 36 A V H X S+ 0 0 8 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.913 114.3 47.7 -62.5 -45.4 81.7 94.2 105.4 37 37 A A H X S+ 0 0 7 -4,-2.1 4,-2.8 -5,-0.2 -20,-0.2 0.947 113.1 48.6 -61.0 -48.1 84.8 93.8 103.2 38 38 A L H X S+ 0 0 21 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.906 115.0 41.1 -60.7 -51.8 87.0 95.6 105.7 39 39 A I H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.939 115.9 53.6 -65.4 -41.0 85.9 93.7 108.8 40 40 A S H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.895 106.4 48.9 -57.4 -50.5 85.9 90.4 106.8 41 41 A A H X S+ 0 0 12 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.867 106.1 59.7 -60.4 -35.6 89.5 90.7 105.5 42 42 A F H X S+ 0 0 78 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.929 104.3 49.0 -56.7 -50.0 90.7 91.4 109.1 43 43 A I H X S+ 0 0 1 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.893 107.6 54.9 -58.5 -42.7 89.3 88.1 110.2 44 44 A M H X S+ 0 0 20 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.870 109.5 46.2 -61.5 -38.9 91.0 86.2 107.3 45 45 A E H X S+ 0 0 92 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.841 106.6 61.7 -72.1 -28.7 94.4 87.7 108.3 46 46 A G H <>S+ 0 0 4 -4,-1.9 5,-2.0 -5,-0.2 4,-0.3 0.900 106.3 43.8 -61.6 -42.0 93.6 86.7 111.9 47 47 A A H ><5S+ 0 0 1 -4,-1.8 3,-1.8 2,-0.2 -1,-0.2 0.911 109.4 55.1 -69.5 -46.0 93.4 83.1 110.9 48 48 A R H 3<5S+ 0 0 186 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.935 106.8 53.4 -52.0 -43.3 96.6 83.3 108.8 49 49 A D T 3<5S- 0 0 112 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.592 120.4-114.3 -66.0 -17.9 98.2 84.6 112.0 50 50 A G T < 5 + 0 0 37 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.483 61.2 152.5 97.2 3.3 97.0 81.6 113.9 51 51 A K < - 0 0 74 -5,-2.0 -1,-0.2 1,-0.1 2,-0.1 -0.278 47.7-102.7 -64.0 156.2 94.6 83.3 116.2 52 52 A S > - 0 0 59 1,-0.1 4,-2.1 34,-0.1 5,-0.2 -0.339 18.2-117.7 -80.5 162.1 91.6 81.2 117.5 53 53 A V H > S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.955 116.0 54.0 -60.8 -49.1 88.0 81.4 116.2 54 54 A A H > S+ 0 0 72 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.858 108.7 49.4 -54.5 -40.2 86.9 82.4 119.7 55 55 A S H >> S+ 0 0 47 1,-0.2 4,-2.8 2,-0.2 3,-1.1 0.924 111.1 47.7 -66.4 -46.8 89.3 85.3 119.8 56 56 A L H 3X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.3 -2,-0.2 0.869 101.1 64.3 -65.2 -34.0 88.3 86.6 116.3 57 57 A M H 3< S+ 0 0 76 -4,-2.5 39,-0.3 1,-0.2 -1,-0.3 0.766 114.5 36.2 -59.3 -23.1 84.6 86.4 117.2 58 58 A E H X< S+ 0 0 104 -3,-1.1 3,-1.6 -4,-0.5 -2,-0.2 0.849 115.2 50.3 -94.4 -48.8 85.6 89.1 119.8 59 59 A E H >< S+ 0 0 73 -4,-2.8 3,-2.2 1,-0.3 -3,-0.2 0.839 97.7 71.1 -61.7 -31.5 88.2 91.1 117.9 60 60 A G G >< S+ 0 0 0 -4,-2.7 3,-0.6 1,-0.3 4,-0.3 0.632 88.9 62.6 -61.0 -15.2 85.9 91.5 115.0 61 61 A R G < S+ 0 0 74 -3,-1.6 -1,-0.3 1,-0.2 39,-0.3 0.392 99.0 56.0 -92.1 4.8 83.7 93.8 117.0 62 62 A H G < S+ 0 0 114 -3,-2.2 -1,-0.2 -4,-0.1 -2,-0.2 0.075 78.0 88.8-124.4 25.5 86.4 96.4 117.3 63 63 A V S < S+ 0 0 35 -3,-0.6 2,-0.3 1,-0.3 -2,-0.1 0.919 100.8 8.1 -86.4 -46.3 87.4 97.1 113.7 64 64 A L - 0 0 0 34,-0.3 36,-0.5 -4,-0.3 -1,-0.3 -0.915 68.2-148.2-134.4 156.4 84.9 99.9 113.1 65 65 A T >> - 0 0 47 -2,-0.3 3,-2.5 34,-0.2 4,-0.7 -0.817 37.1 -99.5-122.6 165.6 82.5 101.9 115.3 66 66 A R G >4 S+ 0 0 106 1,-0.3 3,-0.6 -2,-0.3 7,-0.1 0.798 121.9 58.4 -52.2 -27.9 79.1 103.5 114.8 67 67 A E G 34 S+ 0 0 123 1,-0.2 -1,-0.3 4,-0.0 4,-0.1 0.602 101.4 52.7 -81.3 -12.0 81.0 106.8 114.3 68 68 A Q G <4 S+ 0 0 72 -3,-2.5 -38,-2.0 -39,-0.1 2,-0.2 0.507 103.1 65.8-101.0 -4.3 83.2 105.6 111.4 69 69 A V B << S-a 30 0A 3 -4,-0.7 -38,-0.2 -3,-0.6 3,-0.1 -0.710 89.2 -89.1-117.7 166.9 80.4 104.4 109.2 70 70 A M > - 0 0 46 -40,-2.9 3,-1.7 -2,-0.2 -1,-0.1 -0.292 58.2 -82.1 -69.2 156.4 77.4 105.9 107.3 71 71 A E T 3 S+ 0 0 116 1,-0.2 -1,-0.1 2,-0.1 32,-0.1 -0.277 116.2 17.2 -59.0 140.8 74.0 106.2 109.0 72 72 A G T 3> S+ 0 0 1 -3,-0.1 4,-0.6 31,-0.1 -1,-0.2 0.211 95.0 107.2 82.5 -17.7 72.0 103.0 109.0 73 73 A V H X> S+ 0 0 0 -3,-1.7 3,-1.5 1,-0.2 4,-0.5 0.932 71.7 55.6 -60.5 -48.4 75.0 100.9 108.2 74 74 A P H >4 S+ 0 0 10 0, 0.0 3,-0.7 0, 0.0 25,-0.3 0.858 111.0 45.7 -53.5 -38.9 75.4 99.2 111.6 75 75 A E H 34 S+ 0 0 76 1,-0.2 -2,-0.2 -3,-0.2 -4,-0.0 0.576 103.8 63.1 -80.7 -12.1 71.8 98.0 111.5 76 76 A M H << S+ 0 0 16 -3,-1.5 -1,-0.2 -4,-0.6 -3,-0.1 0.479 103.6 54.8 -85.3 -5.7 72.3 96.8 107.9 77 77 A I << + 0 0 5 -3,-0.7 22,-0.4 -4,-0.5 -1,-0.2 -0.625 54.9 163.1-130.7 78.5 74.9 94.4 109.3 78 78 A P S S- 0 0 76 0, 0.0 19,-3.4 0, 0.0 2,-0.3 0.749 76.8 -7.4 -66.1 -24.9 73.5 92.1 112.1 79 79 A D E -B 96 0B 61 17,-0.3 2,-0.4 18,-0.2 17,-0.2 -0.975 59.8-140.8-162.8 163.8 76.5 89.8 111.7 80 80 A I E -B 95 0B 3 15,-2.1 15,-2.9 -2,-0.3 2,-0.4 -0.985 17.1-169.6-133.2 136.1 79.5 89.1 109.5 81 81 A Q E +B 94 0B 28 -2,-0.4 590,-2.8 588,-0.3 2,-0.3 -0.999 12.1 161.0-132.4 132.9 80.7 85.6 108.5 82 82 A V E -B 93 0B 0 11,-1.7 11,-2.7 -2,-0.4 2,-0.4 -0.980 23.1-145.7-144.1 154.0 83.9 84.6 106.8 83 83 A E E +B 92 0B 12 588,-0.4 2,-0.3 -2,-0.3 9,-0.2 -0.970 24.0 164.3-123.2 142.0 85.9 81.3 106.5 84 84 A A E -B 91 0B 13 7,-1.4 7,-1.7 -2,-0.4 2,-0.8 -0.941 45.2 -90.5-148.9 164.0 89.6 81.0 106.3 85 85 A T E -B 90 0B 101 -2,-0.3 5,-0.3 5,-0.2 -2,-0.0 -0.755 43.8-171.5 -84.3 111.4 92.3 78.4 106.7 86 86 A F E > -B 89 0B 6 3,-3.1 3,-1.4 -2,-0.8 -38,-0.1 -0.506 47.1 -91.3 -90.3 169.2 93.4 78.2 110.4 87 87 A P T 3 S+ 0 0 108 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.786 131.7 48.7 -54.4 -23.8 96.4 76.1 111.4 88 88 A D T 3 S- 0 0 112 1,-0.4 2,-0.0 0, 0.0 -3,-0.0 -0.357 126.0 -84.9-111.7 50.2 93.8 73.4 111.9 89 89 A G E < S-B 86 0B 35 -3,-1.4 -3,-3.1 2,-0.0 -1,-0.4 -0.184 76.0 -22.3 81.7-172.0 91.9 73.6 108.6 90 90 A S E +B 85 0B 61 -5,-0.3 2,-0.3 -3,-0.1 -5,-0.2 -0.465 62.2 179.1 -75.4 141.4 89.0 75.8 107.5 91 91 A K E -B 84 0B 81 -7,-1.7 -7,-1.4 -2,-0.2 2,-0.5 -0.992 26.0-123.6-144.1 149.7 86.8 77.4 110.1 92 92 A L E -B 83 0B 46 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.804 20.9-162.7 -96.7 127.4 83.7 79.7 110.2 93 93 A V E -B 82 0B 0 -11,-2.7 -11,-1.7 -2,-0.5 2,-0.5 -0.909 3.9-169.2-110.6 132.1 83.9 82.9 112.1 94 94 A T E -B 81 0B 20 -2,-0.4 2,-0.6 -13,-0.2 -13,-0.2 -0.993 3.4-167.8-124.3 120.3 80.7 84.7 113.0 95 95 A V E -B 80 0B 0 -15,-2.9 -15,-2.1 -2,-0.5 2,-0.4 -0.963 13.9-149.1-108.8 115.9 80.9 88.2 114.4 96 96 A H E S-B 79 0B 114 -2,-0.6 -17,-0.3 -39,-0.3 -2,-0.0 -0.741 75.1 -10.0 -87.3 137.4 77.5 89.3 115.8 97 97 A N S S- 0 0 94 -19,-3.4 -1,-0.3 -2,-0.4 -18,-0.2 0.936 76.4-177.2 40.1 62.5 76.6 93.0 115.7 98 98 A P + 0 0 0 0, 0.0 2,-0.5 0, 0.0 -34,-0.3 0.788 62.4 58.8 -58.9 -30.9 80.2 93.9 114.6 99 99 A I 0 0 4 -22,-0.4 -34,-0.2 -25,-0.3 -22,-0.1 -0.907 360.0 360.0-107.8 124.6 79.6 97.6 114.6 100 100 A I 0 0 91 -2,-0.5 -35,-0.2 -36,-0.5 -1,-0.1 0.522 360.0 360.0-135.1 360.0 78.4 99.4 117.8 101 !* 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 0.0 102 1 B M 0 0 62 0, 0.0 125,-0.0 0, 0.0 127,-0.0 0.000 360.0 360.0 360.0 122.3 66.8 106.9 109.7 103 2 B I > - 0 0 62 123,-0.1 3,-2.1 -32,-0.1 121,-0.2 -0.969 360.0-114.7-128.3 114.8 67.1 103.1 109.4 104 3 B P T 3 S- 0 0 8 0, 0.0 536,-0.3 0, 0.0 123,-0.3 -0.177 96.2 -4.2 -46.4 128.8 67.0 101.5 105.9 105 4 B G T 3 S+ 0 0 10 121,-2.8 535,-0.2 534,-0.4 122,-0.1 0.636 90.3 171.0 58.7 23.9 63.9 99.3 105.6 106 5 B E < - 0 0 57 -3,-2.1 118,-2.2 120,-0.3 2,-0.2 -0.279 28.6-127.3 -68.9 147.1 62.7 99.7 109.2 107 6 B Y E -C 223 0C 70 116,-0.2 2,-0.5 2,-0.0 116,-0.2 -0.628 9.6-159.1 -89.6 153.8 59.4 98.5 110.3 108 7 B H E -C 222 0C 113 114,-2.8 114,-2.9 -2,-0.2 2,-0.5 -0.894 21.0-171.7-132.0 87.4 56.9 100.7 112.1 109 8 B V - 0 0 24 -2,-0.5 112,-0.1 112,-0.2 100,-0.1 -0.769 22.5-128.0 -87.4 127.2 54.7 98.1 113.8 110 9 B K - 0 0 104 -2,-0.5 98,-0.1 1,-0.1 111,-0.1 -0.602 35.2-110.8 -74.5 137.6 51.6 99.5 115.4 111 10 B P + 0 0 120 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.218 69.3 83.7 -64.2 162.5 51.5 98.2 119.1 112 11 B G - 0 0 47 -3,-0.1 96,-2.5 2,-0.0 97,-0.3 -0.826 68.0 -81.7 134.5-173.7 49.0 95.7 120.3 113 12 B Q E -E 207 0D 134 94,-0.3 2,-0.4 -2,-0.3 94,-0.3 -0.812 23.1-133.5-127.1 167.4 48.5 91.9 120.3 114 13 B I E -E 206 0D 8 92,-2.9 92,-2.1 -2,-0.3 2,-0.6 -0.985 15.7-140.2-125.7 128.3 47.3 89.2 117.9 115 14 B A E -E 205 0D 47 -2,-0.4 3,-0.4 90,-0.2 2,-0.3 -0.808 23.7-148.0 -90.2 123.8 44.8 86.5 119.0 116 15 B L - 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0 0 4 -2,-0.3 3,-0.3 59,-0.2 61,-0.2 -0.583 31.1-114.9 -92.9 172.2 65.1 107.0 79.7 501 299 C N S > S+ 0 0 2 60,-1.1 3,-2.2 59,-0.4 66,-0.1 0.754 92.6 80.2 -91.0 -22.0 67.0 107.0 83.0 502 300 C P T 3 S+ 0 0 4 0, 0.0 -1,-0.2 0, 0.0 65,-0.1 0.846 101.0 46.5 -55.3 -27.1 69.9 109.3 83.0 503 301 C T T 3 S+ 0 0 2 -3,-0.3 45,-0.1 3,-0.1 -2,-0.1 0.416 84.6 125.4 -91.1 -0.6 67.6 112.3 83.6 504 302 C L S < S+ 0 0 1 -3,-2.2 74,-0.1 1,-0.2 75,-0.1 -0.918 76.8 12.8-107.3 113.3 65.6 110.6 86.4 505 303 C P S S- 0 0 0 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 0.744 90.0-114.7-100.3 178.4 65.7 112.4 88.8 506 304 C Y + 0 0 9 38,-0.2 251,-2.6 39,-0.1 2,-0.2 -0.513 50.2 165.2 -71.6 107.3 66.9 115.9 88.4 507 305 C T B -f 757 0N 31 -2,-0.7 3,-0.4 249,-0.3 4,-0.3 -0.574 50.1 -93.2-116.2-177.8 70.2 116.2 90.4 508 306 C L S S+ 0 0 103 249,-2.1 4,-0.3 1,-0.2 3,-0.1 0.744 119.7 41.5 -71.2 -24.8 73.1 118.6 90.6 509 307 C N S > S+ 0 0 115 1,-0.1 4,-2.0 2,-0.1 5,-0.2 0.528 84.5 100.1-101.4 -4.5 75.4 116.8 88.1 510 308 C T H > S+ 0 0 4 -3,-0.4 4,-1.0 1,-0.2 -1,-0.1 0.834 84.2 43.0 -46.8 -51.6 72.8 116.0 85.4 511 309 C I H > S+ 0 0 43 -4,-0.3 4,-0.9 2,-0.2 3,-0.4 0.916 112.0 50.7 -67.6 -46.0 73.6 118.8 83.0 512 310 C D H 4 S+ 0 0 121 -4,-0.3 4,-0.4 1,-0.2 3,-0.3 0.903 111.7 49.8 -58.4 -43.8 77.4 118.7 83.1 513 311 C E H X S+ 0 0 68 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.743 100.7 67.1 -67.3 -27.5 77.4 115.0 82.4 514 312 C H H X S+ 0 0 2 -4,-1.0 4,-2.2 -3,-0.4 -1,-0.2 0.839 82.3 65.9 -70.2 -38.4 75.0 115.2 79.4 515 313 C L H X S+ 0 0 62 -4,-0.9 4,-1.8 -3,-0.3 -1,-0.2 0.919 109.4 35.9 -51.4 -54.5 76.9 117.0 76.7 516 314 C D H > S+ 0 0 113 -4,-0.4 4,-2.1 2,-0.2 5,-0.2 0.838 111.7 60.3 -72.4 -31.4 79.6 114.4 76.0 517 315 C M H X S+ 0 0 38 -4,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.947 108.0 47.4 -58.7 -43.9 77.3 111.5 76.6 518 316 C L H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 6,-0.3 0.909 108.3 54.3 -63.2 -45.9 75.2 112.8 73.7 519 317 C M H <>S+ 0 0 15 -4,-1.8 5,-2.1 1,-0.2 4,-0.3 0.918 110.9 43.7 -56.4 -49.6 78.2 113.3 71.4 520 318 C V H ><5S+ 0 0 114 -4,-2.1 3,-0.7 3,-0.2 -1,-0.2 0.872 109.8 54.8 -66.0 -43.6 79.5 109.7 71.7 521 319 C C H 3<5S+ 0 0 12 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.947 114.3 36.6 -58.2 -53.3 76.2 107.9 71.4 522 320 C H T 3<5S- 0 0 13 -4,-1.6 -1,-0.2 -153,-0.1 -2,-0.2 0.279 110.4-112.9 -88.3 11.0 75.0 109.4 68.1 523 321 C H T < 5 + 0 0 95 -3,-0.7 2,-0.2 -4,-0.3 -3,-0.2 0.849 57.1 167.3 62.3 40.7 78.5 109.6 66.4 524 322 C L < - 0 0 28 -5,-2.1 -1,-0.2 -6,-0.3 3,-0.0 -0.594 36.3-125.9 -90.1 146.8 78.6 113.4 66.4 525 323 C D - 0 0 63 -2,-0.2 3,-0.5 1,-0.1 6,-0.3 -0.821 10.6-159.7 -96.2 112.8 81.8 115.4 65.7 526 324 C P S S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.695 94.4 55.8 -60.8 -25.6 82.5 118.0 68.5 527 325 C D S S+ 0 0 146 4,-0.0 2,-0.6 -3,-0.0 5,-0.0 0.884 90.4 85.3 -74.0 -39.8 84.7 120.0 66.1 528 326 C I S >> S- 0 0 76 -3,-0.5 4,-1.4 1,-0.1 3,-0.7 -0.508 74.9-147.6 -68.6 113.3 81.8 120.3 63.6 529 327 C A H >> S+ 0 0 57 -2,-0.6 4,-2.4 1,-0.2 3,-0.9 0.893 94.4 48.0 -45.5 -59.5 79.7 123.3 64.7 530 328 C E H 3> S+ 0 0 144 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.807 106.8 58.9 -58.7 -28.6 76.3 122.0 63.6 531 329 C D H <> S+ 0 0 41 -3,-0.7 4,-1.8 -6,-0.3 -1,-0.3 0.862 113.3 38.7 -69.1 -31.0 77.0 118.7 65.4 532 330 C V H < S+ 0 0 115 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.856 102.1 60.0 -76.0 -38.2 73.3 121.4 72.9 537 335 C S H 3< S+ 0 0 42 -4,-2.2 -1,-0.2 -3,-0.4 -2,-0.2 0.685 99.8 63.0 -64.3 -17.7 69.7 122.2 71.9 538 336 C R T 3< S+ 0 0 0 -4,-1.1 2,-0.8 -3,-0.3 -1,-0.2 0.742 88.8 73.4 -77.6 -27.2 68.8 118.8 73.2 539 337 C I < + 0 0 28 -3,-1.2 2,-0.5 -4,-0.4 -1,-0.1 -0.819 58.2 165.5 -98.8 110.5 69.8 119.5 76.9 540 338 C R > - 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