==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 06-SEP-06 2I9Z . COMPND 2 MOLECULE: PUTATIVE SEPTATION PROTEIN SPOVG; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS EPIDERMIDIS; . AUTHOR K.TAN,N.MALTSEVA,M.BARGASSA,A.JOACHIMIAK,MIDWEST CENTER FOR . 171 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10626.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 37.4 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 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 14 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 18.1 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+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 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 5 0 1 0 4 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 . 2 0 0 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 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 X 0 0 61 0, 0.0 2,-0.3 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 113.6 -2.5 6.6 15.1 2 2 A K - 0 0 131 1,-0.0 24,-2.4 69,-0.0 2,-0.9 -0.651 360.0-134.6 -92.1 138.8 0.5 4.3 14.9 3 3 A V E +A 25 0A 13 -2,-0.3 22,-0.2 22,-0.2 3,-0.1 -0.837 36.9 168.4 -86.1 105.1 4.2 5.4 14.5 4 4 A T E + 0 0 48 20,-1.8 2,-0.4 -2,-0.9 -1,-0.2 0.652 55.7 32.7-102.6 -20.4 5.1 3.0 11.8 5 5 A D E -A 24 0A 78 19,-0.8 19,-2.1 -3,-0.1 2,-0.4 -0.995 58.8-174.2-142.3 140.1 8.4 4.2 10.6 6 6 A V E -A 23 0A 25 -2,-0.4 2,-0.5 17,-0.2 17,-0.2 -0.986 1.7-172.4-139.5 124.9 11.3 5.9 12.5 7 7 A R E -A 22 0A 177 15,-3.1 15,-2.9 -2,-0.4 2,-0.3 -0.978 13.0-175.2-125.6 122.3 14.4 7.3 10.9 8 8 A L E -A 21 0A 46 -2,-0.5 2,-0.4 13,-0.2 13,-0.2 -0.871 20.2-169.5-127.1 142.7 17.2 8.5 13.1 9 9 A R E -A 20 0A 121 11,-2.3 11,-2.4 -2,-0.3 2,-0.2 -0.939 25.9-134.0-131.3 111.8 20.5 10.2 12.7 10 10 A K E -A 19 0A 51 -2,-0.4 2,-0.4 9,-0.2 9,-0.3 -0.448 19.9-129.5 -64.6 127.3 22.8 10.4 15.8 11 11 A I - 0 0 22 7,-2.1 4,-0.1 -2,-0.2 -1,-0.1 -0.692 10.7-155.8 -83.1 132.4 24.3 13.9 16.3 12 12 A Q + 0 0 149 -2,-0.4 2,-0.5 2,-0.1 -1,-0.1 0.823 66.2 97.6 -77.8 -37.2 28.0 13.8 16.8 13 13 A T S S- 0 0 108 1,-0.1 2,-1.7 4,-0.0 4,-0.1 -0.426 79.4-129.8 -62.9 109.4 28.3 17.1 18.7 14 14 A D + 0 0 149 -2,-0.5 2,-0.2 2,-0.1 -1,-0.1 -0.482 69.7 100.3 -64.3 84.2 28.3 16.2 22.4 15 15 A G S S- 0 0 34 -2,-1.7 23,-0.1 2,-0.3 -4,-0.0 -0.657 94.0 -60.3-140.9-156.7 25.6 18.6 23.6 16 16 A R S S+ 0 0 161 -2,-0.2 22,-2.3 1,-0.1 2,-0.8 0.848 111.5 80.7 -61.8 -38.9 21.9 18.3 24.5 17 17 A X E + B 0 37A 70 20,-0.2 -2,-0.3 1,-0.2 20,-0.2 -0.656 48.8 168.9 -85.2 110.4 20.9 17.1 21.1 18 18 A K E - 0 0 34 18,-2.9 -7,-2.1 -2,-0.8 2,-0.3 0.752 62.5 -1.5 -90.0 -30.8 21.5 13.4 20.7 19 19 A A E -AB 10 36A 0 17,-1.1 17,-2.4 -9,-0.3 2,-0.4 -0.986 54.0-130.7-159.0 152.4 19.7 12.7 17.4 20 20 A L E -AB 9 35A 45 -11,-2.4 -11,-2.3 -2,-0.3 2,-0.4 -0.912 38.5-162.5-103.5 139.7 17.6 14.2 14.6 21 21 A V E -AB 8 34A 2 13,-2.6 13,-2.5 -2,-0.4 2,-0.4 -0.967 23.4-167.8-137.2 132.9 14.4 12.1 13.9 22 22 A S E -A 7 0A 28 -15,-2.9 -15,-3.1 -2,-0.4 2,-0.3 -0.958 16.5-175.3-111.3 142.5 11.7 11.5 11.3 23 23 A I E -AB 6 31A 1 8,-2.3 8,-2.5 -2,-0.4 2,-0.4 -0.923 17.8-139.0-128.0 158.4 8.6 9.5 12.0 24 24 A T E -AB 5 30A 14 -19,-2.1 -20,-1.8 -2,-0.3 -19,-0.8 -0.974 13.7-153.5-114.4 131.8 5.7 8.3 9.9 25 25 A L E >> S-AB 3 29A 0 4,-3.4 3,-2.8 -2,-0.4 4,-1.8 -0.929 75.0 -18.6-104.7 130.1 2.1 8.4 11.3 26 26 A D T 34 S- 0 0 34 -24,-2.4 -1,-0.1 -2,-0.5 -23,-0.1 0.634 106.7 -82.5 58.0 17.7 -0.6 6.0 10.0 27 27 A E T 34 S+ 0 0 140 -25,-0.4 -1,-0.3 2,-0.2 3,-0.1 0.660 126.7 89.7 53.4 18.9 1.7 5.4 6.9 28 28 A A T <4 S+ 0 0 12 -3,-2.8 124,-1.3 1,-0.3 125,-0.4 0.597 83.9 29.9-115.9 -20.3 -0.1 8.7 5.8 29 29 A F E < -BC 25 151A 1 -4,-1.8 -4,-3.4 122,-0.3 2,-0.5 -0.977 60.1-152.6-149.9 129.7 2.1 11.6 7.2 30 30 A V E -BC 24 150A 15 120,-3.5 120,-2.6 -2,-0.3 2,-0.5 -0.891 7.4-162.3-105.9 132.6 5.8 12.1 7.8 31 31 A I E -BC 23 149A 0 -8,-2.5 -8,-2.3 -2,-0.5 3,-0.3 -0.969 10.5-164.9-113.1 122.3 7.1 14.5 10.4 32 32 A H E + 0 0 54 116,-3.7 -10,-0.2 -2,-0.5 116,-0.0 -0.595 58.4 40.3 -95.4 162.9 10.8 15.5 10.2 33 33 A D E + 0 0 28 1,-0.2 16,-0.5 -2,-0.2 -11,-0.2 0.689 60.8 153.1 76.5 24.8 13.0 17.3 12.8 34 34 A L E -B 21 0A 0 -13,-2.5 -13,-2.6 -3,-0.3 2,-0.4 -0.534 35.1-142.8 -69.5 151.2 12.0 15.6 16.0 35 35 A R E -BD 20 46A 53 11,-2.2 11,-3.7 -15,-0.2 2,-0.7 -0.981 13.1-138.7-129.5 130.1 15.0 15.8 18.3 36 36 A V E -BD 19 45A 0 -17,-2.4 -18,-2.9 -2,-0.4 -17,-1.1 -0.804 36.8-173.0 -80.9 118.7 16.4 13.3 20.9 37 37 A I E -BD 17 44A 6 7,-2.8 7,-2.5 -2,-0.7 2,-0.8 -0.932 27.4-134.4-122.6 134.4 17.3 15.6 23.8 38 38 A E E + D 0 43A 108 -22,-2.3 5,-0.2 -2,-0.4 2,-0.1 -0.847 36.5 178.8 -88.0 110.9 19.1 14.9 27.0 39 39 A G E > - D 0 42A 23 3,-2.8 3,-1.0 -2,-0.8 0, 0.0 -0.266 46.0 -81.9 -98.9-168.7 17.0 16.6 29.7 40 40 A N T 3 S+ 0 0 175 1,-0.3 3,-0.1 -2,-0.1 -2,-0.0 0.837 126.9 34.2 -71.3 -31.9 17.6 16.8 33.4 41 41 A S T 3 S- 0 0 127 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 -0.268 128.0 -61.3-117.6 44.9 16.0 13.4 34.2 42 42 A G E < S-D 39 0A 39 -3,-1.0 -3,-2.8 2,-0.0 -1,-0.3 -0.553 76.3 -36.5 111.5-176.3 17.0 11.4 31.1 43 43 A L E +D 38 0A 66 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.605 57.1 167.8 -85.6 144.2 16.6 11.4 27.3 44 44 A F E -D 37 0A 89 -7,-2.5 -7,-2.8 -2,-0.2 2,-0.6 -0.930 36.7-101.2-145.6 172.4 13.3 12.4 25.7 45 45 A V E -D 36 0A 5 -2,-0.3 2,-0.2 -9,-0.2 -9,-0.2 -0.894 32.4-161.5-102.8 119.1 11.8 13.3 22.3 46 46 A A E -D 35 0A 14 -11,-3.7 -11,-2.2 -2,-0.6 3,-0.1 -0.657 20.9-112.1 -94.0 157.2 11.3 17.0 21.5 47 47 A X - 0 0 20 -2,-0.2 15,-0.1 -13,-0.2 -1,-0.1 -0.401 45.2 -71.0 -90.4 160.1 9.1 18.2 18.7 48 48 A P - 0 0 0 0, 0.0 12,-2.7 0, 0.0 13,-0.6 -0.275 54.9-164.4 -51.3 127.4 9.9 20.0 15.4 49 49 A S E -E 59 0B 28 -16,-0.5 2,-0.4 10,-0.2 10,-0.2 -0.946 8.1-163.4-124.4 134.4 11.1 23.5 16.2 50 50 A K E -E 58 0B 59 8,-2.6 8,-2.4 -2,-0.4 2,-0.3 -0.978 20.2-126.6-125.0 129.6 11.5 26.4 13.8 51 51 A R E -E 57 0B 143 -2,-0.4 6,-0.3 6,-0.2 -2,-0.0 -0.564 25.2-136.4 -72.1 127.3 13.4 29.6 14.4 52 52 A T > - 0 0 17 4,-2.9 3,-2.7 -2,-0.3 -1,-0.0 -0.466 31.2 -99.4 -77.2 161.5 11.3 32.7 13.8 53 53 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.777 125.5 51.1 -54.8 -27.0 12.9 35.6 11.8 54 54 A D T 3 S- 0 0 124 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 0.197 126.1 -97.4 -97.8 13.8 13.7 37.3 15.2 55 55 A G S < S+ 0 0 35 -3,-2.7 2,-0.1 1,-0.3 -4,-0.0 0.531 83.9 122.2 89.1 6.8 15.4 34.3 16.7 56 56 A E - 0 0 105 1,-0.0 -4,-2.9 -6,-0.0 2,-0.4 -0.306 57.2-117.9 -81.4 176.3 12.6 32.9 18.8 57 57 A F E -E 51 0B 130 -6,-0.3 2,-0.4 -2,-0.1 -6,-0.2 -0.954 15.2-158.1-123.5 144.2 11.3 29.3 18.3 58 58 A R E -E 50 0B 126 -8,-2.4 -8,-2.6 -2,-0.4 2,-0.6 -0.993 17.9-137.6-116.0 125.1 8.0 27.9 17.3 59 59 A D E -E 49 0B 88 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.760 25.5-172.2 -73.1 116.6 6.9 24.3 18.1 60 60 A I + 0 0 4 -12,-2.7 60,-3.7 -2,-0.6 2,-0.3 0.796 59.1 17.2 -91.9 -33.1 5.4 23.3 14.8 61 61 A A E +F 119 0C 0 -13,-0.6 -1,-0.2 58,-0.2 58,-0.2 -0.999 67.3 155.9-146.3 136.7 3.8 19.9 15.5 62 62 A H E -F 118 0C 59 56,-2.0 56,-2.4 -2,-0.3 2,-0.1 -0.986 40.6 -95.9-159.7 156.6 2.9 18.1 18.7 63 63 A P E -F 117 0C 22 0, 0.0 54,-0.3 0, 0.0 53,-0.1 -0.415 20.1-165.6 -67.9 148.2 0.6 15.4 20.2 64 64 A I S S+ 0 0 82 52,-2.2 2,-0.3 -2,-0.1 53,-0.2 0.091 70.4 50.5-123.5 18.3 -2.7 16.5 21.9 65 65 A N S > S- 0 0 68 51,-0.6 4,-2.3 1,-0.1 3,-0.2 -0.977 82.3-117.9-150.1 157.4 -3.5 13.2 23.7 66 66 A S H > S+ 0 0 68 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.828 110.5 54.8 -64.2 -38.7 -1.5 11.0 26.0 67 67 A D H > S+ 0 0 134 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.904 111.0 45.9 -59.3 -46.3 -1.6 7.9 23.8 68 68 A X H > S+ 0 0 5 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.925 113.6 49.2 -63.3 -47.0 -0.1 9.8 20.9 69 69 A R H X S+ 0 0 100 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.947 114.2 45.2 -56.1 -49.8 2.6 11.4 23.1 70 70 A Q H X S+ 0 0 79 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.861 110.4 53.2 -67.4 -36.5 3.6 8.1 24.6 71 71 A E H X S+ 0 0 59 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.883 111.5 46.3 -67.4 -38.7 3.6 6.2 21.3 72 72 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.944 115.2 45.5 -65.7 -51.1 6.0 8.8 19.8 73 73 A Q H X S+ 0 0 34 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.940 118.6 44.5 -57.0 -47.8 8.3 8.8 22.8 74 74 A D H X S+ 0 0 87 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.906 114.3 45.7 -66.0 -46.9 8.2 5.0 22.9 75 75 A A H X S+ 0 0 13 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.2 0.849 117.5 44.9 -67.2 -35.2 8.7 4.3 19.2 76 76 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.926 112.3 48.1 -76.2 -46.5 11.5 6.9 18.9 77 77 A X H X S+ 0 0 30 -4,-2.4 4,-2.9 -5,-0.3 5,-0.2 0.874 106.4 60.3 -63.3 -36.1 13.5 5.9 22.0 78 78 A K H X S+ 0 0 134 -4,-1.8 4,-0.6 -5,-0.2 -1,-0.2 0.933 109.7 41.3 -51.9 -50.4 13.2 2.2 21.0 79 79 A V H >< S+ 0 0 39 -4,-1.2 3,-0.7 2,-0.2 4,-0.3 0.883 113.3 53.6 -68.4 -40.8 15.1 3.0 17.7 80 80 A Y H >< S+ 0 0 10 -4,-2.4 3,-2.0 1,-0.2 6,-0.2 0.932 105.0 54.3 -57.0 -46.8 17.6 5.3 19.5 81 81 A D H 3< S+ 0 0 84 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.677 100.6 61.9 -67.5 -14.4 18.5 2.6 22.0 82 82 A E T << S+ 0 0 132 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.521 81.3 109.5 -83.2 -8.4 19.3 0.3 19.0 83 83 A T S X S- 0 0 33 -3,-2.0 3,-0.9 -4,-0.3 -3,-0.0 -0.288 79.9-117.8 -68.4 156.8 22.1 2.6 17.8 84 84 A D T 3 S+ 0 0 161 1,-0.2 -1,-0.1 3,-0.0 -3,-0.0 0.799 108.2 62.9 -69.5 -28.4 25.7 1.5 18.2 85 85 A E T 3 S+ 0 0 120 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 0.671 90.2 78.3 -73.1 -18.8 26.7 4.3 20.6 86 86 A V < 0 0 48 -3,-0.9 0, 0.0 -6,-0.2 0, 0.0 -0.792 360.0 360.0 -96.5 138.9 24.2 3.2 23.3 87 87 A I 0 0 201 -2,-0.4 -1,-0.1 0, 0.0 -2,-0.0 0.778 360.0 360.0-107.3 360.0 25.2 0.2 25.5 88 !* 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 89 1 B X 0 0 104 0, 0.0 2,-0.4 0, 0.0 24,-0.0 0.000 360.0 360.0 360.0 -44.1 -5.6 9.6 8.2 90 2 B K - 0 0 142 70,-0.0 24,-2.5 2,-0.0 2,-0.8 -0.789 360.0-133.6 -97.5 137.0 -8.5 12.0 8.8 91 3 B V E +G 113 0C 27 -2,-0.4 22,-0.2 22,-0.2 3,-0.1 -0.799 29.0 176.2 -82.0 108.8 -8.3 15.8 9.2 92 4 B T E + 0 0 52 20,-2.4 2,-0.3 -2,-0.8 21,-0.2 0.595 60.4 20.9 -97.3 -12.8 -10.5 16.2 12.3 93 5 B D E -G 112 0C 57 19,-1.1 19,-2.3 2,-0.0 2,-0.4 -0.985 54.9-168.1-156.3 144.5 -9.9 20.0 12.7 94 6 B V E -G 111 0C 16 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.987 7.3-177.5-136.0 126.9 -8.8 23.0 10.8 95 7 B R E +G 110 0C 156 15,-3.0 15,-3.0 -2,-0.4 2,-0.3 -0.979 15.4 157.1-121.7 129.5 -8.0 26.4 12.3 96 8 B L E -G 109 0C 31 -2,-0.4 2,-0.4 13,-0.2 13,-0.2 -0.998 30.2-150.9-147.7 156.0 -7.0 29.4 10.2 97 9 B R E -G 108 0C 193 11,-1.8 11,-1.3 -2,-0.3 2,-0.3 -0.997 23.7-133.7-121.9 127.3 -6.9 33.2 10.1 98 10 B K E -G 107 0C 59 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.634 20.2-138.7 -74.9 132.2 -7.2 35.1 6.8 99 11 B I - 0 0 65 7,-1.7 2,-0.9 -2,-0.3 -1,-0.0 -0.762 12.3-125.6 -91.5 134.7 -4.6 37.9 6.4 100 12 B Q + 0 0 199 -2,-0.4 2,-0.3 2,-0.0 7,-0.0 -0.734 62.4 131.7 -76.3 104.1 -5.6 41.3 4.9 101 13 B T - 0 0 59 -2,-0.9 -2,-0.0 2,-0.1 -3,-0.0 -1.000 68.9-148.1-158.7 149.1 -3.0 41.4 2.0 102 14 B D S S+ 0 0 168 -2,-0.3 -1,-0.1 0, 0.0 4,-0.1 0.299 82.4 106.8 -91.7 2.5 -2.2 42.0 -1.6 103 15 B G S S- 0 0 25 2,-0.2 -2,-0.1 1,-0.1 23,-0.1 -0.284 83.5-121.8 -74.2 163.9 0.4 39.3 -0.8 104 16 B R S S+ 0 0 182 21,-0.1 22,-3.1 -2,-0.0 2,-0.8 0.715 92.3 90.5 -82.3 -20.8 0.1 35.8 -2.1 105 17 B X E + H 0 125C 60 20,-0.2 20,-0.2 1,-0.2 -2,-0.2 -0.680 53.3 171.8 -78.5 108.9 0.2 34.4 1.4 106 18 B K E - 0 0 34 18,-3.2 -7,-1.7 -2,-0.8 2,-0.3 0.607 52.2 -0.2-102.6 -16.6 -3.5 34.3 2.3 107 19 B A E -GH 98 124C 0 17,-1.0 17,-2.1 -9,-0.2 2,-0.4 -0.917 52.2-129.8-172.7 143.9 -3.8 32.5 5.6 108 20 B L E -GH 97 123C 49 -11,-1.3 -11,-1.8 -2,-0.3 2,-0.3 -0.880 38.5-167.1 -97.3 137.4 -1.9 30.7 8.4 109 21 B V E -GH 96 122C 2 13,-2.3 13,-2.6 -2,-0.4 2,-0.4 -0.955 20.6-165.0-136.2 138.9 -3.5 27.3 9.1 110 22 B S E -G 95 0C 32 -15,-3.0 -15,-3.0 -2,-0.3 2,-0.3 -0.972 14.6-166.7-120.7 142.5 -3.3 24.6 11.8 111 23 B I E -GH 94 119C 1 8,-2.4 8,-3.0 -2,-0.4 2,-0.4 -0.955 10.9-145.3-128.6 144.9 -4.7 21.1 11.2 112 24 B T E -GH 93 118C 13 -19,-2.3 -20,-2.4 -2,-0.3 -19,-1.1 -0.960 10.0-150.5-108.8 132.6 -5.5 18.2 13.6 113 25 B L E >> S-GH 91 117C 1 4,-3.0 3,-2.4 -2,-0.4 4,-1.3 -0.897 75.1 -24.1-101.9 123.7 -5.0 14.5 12.5 114 26 B D T 34 S- 0 0 41 -24,-2.5 -1,-0.2 -2,-0.5 -23,-0.1 0.714 108.5 -74.7 50.4 32.9 -7.3 11.9 14.1 115 27 B E T 34 S+ 0 0 144 -25,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.650 127.7 82.0 59.4 19.3 -7.9 14.1 17.2 116 28 B A T <4 S+ 0 0 6 -3,-2.4 -52,-2.2 1,-0.3 -51,-0.6 0.612 85.0 34.8-129.4 -22.0 -4.4 13.2 18.3 117 29 B F E < -FH 63 113C 0 -4,-1.3 -4,-3.0 -54,-0.3 2,-0.4 -0.972 59.2-157.8-149.0 121.7 -1.7 15.3 16.6 118 30 B V E -FH 62 112C 13 -56,-2.4 -56,-2.0 -2,-0.3 2,-0.4 -0.841 1.8-161.3-104.7 143.9 -1.7 19.0 15.5 119 31 B I E -FH 61 111C 0 -8,-3.0 -8,-2.4 -2,-0.4 2,-0.3 -0.977 12.4-165.6-119.8 129.9 0.4 20.6 12.8 120 32 B H E + 0 0 63 -60,-3.7 -10,-0.2 -2,-0.4 -60,-0.0 -0.705 56.8 46.4-106.5 165.4 0.9 24.3 12.7 121 33 B D E + 0 0 39 -12,-0.3 16,-0.2 -2,-0.3 -11,-0.2 0.749 62.8 148.0 78.0 28.0 2.2 26.8 10.2 122 34 B L E - H 0 109C 0 -13,-2.6 -13,-2.3 -3,-0.2 2,-0.4 -0.514 33.2-148.9 -74.8 158.6 0.5 25.5 7.0 123 35 B R E -IH 134 108C 84 11,-2.1 11,-2.6 -15,-0.2 2,-0.6 -0.997 17.0-139.2-135.4 140.8 -0.3 28.4 4.6 124 36 B V E -IH 133 107C 0 -17,-2.1 -18,-3.2 -2,-0.4 -17,-1.0 -0.893 30.6-168.1 -89.1 121.1 -3.0 29.1 2.0 125 37 B I E -IH 132 105C 20 7,-3.2 7,-2.7 -2,-0.6 2,-0.3 -0.976 5.4-162.5-117.7 127.2 -1.1 30.6 -1.0 126 38 B E + 0 0 76 -22,-3.1 2,-0.3 -2,-0.5 5,-0.2 -0.815 21.4 147.8-105.1 143.4 -2.9 32.3 -3.9 127 39 B G > - 0 0 26 -2,-0.3 3,-1.6 3,-0.3 -2,-0.0 -0.928 63.1 -86.9-157.2 175.9 -1.4 33.0 -7.3 128 40 B N T 3 S+ 0 0 186 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.707 125.5 58.0 -64.7 -20.6 -2.7 33.2 -10.9 129 41 B S T 3 S- 0 0 126 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.560 122.4 -86.1 -82.2 -11.4 -2.2 29.4 -11.3 130 42 B G < - 0 0 31 -3,-1.6 -3,-0.3 2,-0.0 2,-0.3 -0.667 48.1 -58.9 133.3 175.3 -4.5 28.8 -8.3 131 43 B L + 0 0 53 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.708 50.9 175.3 -90.6 142.9 -4.7 28.5 -4.5 132 44 B F E -I 125 0C 93 -7,-2.7 -7,-3.2 -2,-0.3 2,-0.7 -0.983 31.0-123.2-143.2 160.9 -2.7 25.9 -2.6 133 45 B V E -I 124 0C 4 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.901 26.7-156.2-104.0 113.9 -1.9 24.7 0.9 134 46 B A E -I 123 0C 16 -11,-2.6 -11,-2.1 -2,-0.7 3,-0.1 -0.701 13.9-128.6 -88.0 137.9 1.8 24.7 1.7 135 47 B X - 0 0 4 -2,-0.3 -13,-0.1 -13,-0.2 2,-0.1 -0.423 41.1 -85.9 -71.3 157.8 3.1 22.5 4.5 136 48 B P - 0 0 1 0, 0.0 12,-2.8 0, 0.0 13,-0.9 -0.435 60.3-179.0 -64.0 142.7 5.3 24.1 7.1 137 49 B S E -J 147 0D 18 10,-0.3 2,-0.3 -16,-0.2 10,-0.2 -0.971 16.5-169.6-145.8 160.9 8.9 24.2 5.9 138 50 B K E -J 146 0D 50 8,-2.0 8,-1.8 -2,-0.3 2,-0.4 -0.965 35.9 -92.0-147.0 159.9 12.4 25.2 7.0 139 51 B R E -J 145 0D 155 -2,-0.3 6,-0.3 6,-0.2 5,-0.1 -0.654 49.1-138.2 -74.8 124.9 15.9 25.6 5.7 140 52 B T > - 0 0 60 4,-3.1 3,-0.5 -2,-0.4 -1,-0.1 -0.086 44.7 -57.9 -78.6 176.8 17.9 22.4 6.2 141 53 B P T 3 S- 0 0 114 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 0.664 127.3 -0.5 -26.4 -41.5 21.5 21.8 7.4 142 54 B D T 3 S- 0 0 158 2,-0.1 2,-0.6 0, 0.0 -2,-0.1 -0.579 122.4 -26.4-161.1 110.0 22.7 23.9 4.5 143 55 B G S < S+ 0 0 34 -3,-0.5 2,-0.2 -2,-0.1 -4,-0.0 -0.543 92.8 77.9 114.7 -66.0 20.7 25.7 1.7 144 56 B E - 0 0 128 -2,-0.6 -4,-3.1 -5,-0.1 2,-0.3 -0.495 60.3-127.8 -99.4 154.6 17.4 24.3 0.8 145 57 B F E +J 139 0D 91 -6,-0.3 2,-0.3 -2,-0.2 -6,-0.2 -0.725 28.9 168.7 -86.0 138.1 13.8 24.3 2.1 146 58 B R E -J 138 0D 138 -8,-1.8 -8,-2.0 -2,-0.3 3,-0.0 -0.980 42.2 -86.0-143.6 158.6 11.7 21.2 2.7 147 59 B D E -J 137 0D 28 -2,-0.3 -10,-0.3 -10,-0.2 3,-0.1 -0.278 22.4-158.2 -51.5 127.9 8.5 20.4 4.4 148 60 B I S S+ 0 0 0 -12,-2.8 -116,-3.7 1,-0.2 2,-0.4 0.844 90.6 34.4 -75.1 -38.6 8.8 19.7 8.1 149 61 B A E S+C 31 0A 0 -13,-0.9 -118,-0.2 -118,-0.2 -1,-0.2 -0.956 79.1 179.1-118.7 141.5 5.5 17.8 7.9 150 62 B H E -C 30 0A 29 -120,-2.6 -120,-3.5 -2,-0.4 2,-0.2 -0.955 28.5-135.9-150.7 117.3 4.7 15.9 4.7 151 63 B P E -C 29 0A 2 0, 0.0 -122,-0.3 0, 0.0 -123,-0.1 -0.574 23.5-143.4 -71.1 137.6 1.7 13.7 3.5 152 64 B I S S+ 0 0 81 -124,-1.3 2,-0.3 -2,-0.2 -123,-0.1 0.907 72.9 36.9 -75.1 -37.6 3.2 10.7 1.8 153 65 B N S > S- 0 0 81 -125,-0.4 4,-2.0 1,-0.1 3,-0.2 -0.740 80.4-113.5-117.3 164.0 0.8 10.2 -1.0 154 66 B S H > S+ 0 0 105 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.818 112.8 59.8 -55.5 -39.8 -1.3 12.3 -3.4 155 67 B D H > S+ 0 0 125 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.928 107.8 44.3 -58.9 -48.3 -4.6 11.2 -1.8 156 68 B X H > S+ 0 0 7 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.903 112.2 53.6 -63.9 -42.3 -3.6 12.5 1.6 157 69 B R H X S+ 0 0 91 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.925 110.3 45.8 -58.8 -47.0 -2.3 15.8 0.0 158 70 B Q H X S+ 0 0 106 -4,-2.8 4,-3.1 1,-0.2 -1,-0.2 0.892 109.9 55.4 -62.6 -41.0 -5.6 16.4 -1.8 159 71 B E H X S+ 0 0 62 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.868 109.3 46.3 -59.4 -41.3 -7.6 15.6 1.4 160 72 B I H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.921 113.1 49.9 -66.5 -46.4 -5.6 18.3 3.3 161 73 B Q H X S+ 0 0 51 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.967 113.9 44.6 -57.8 -53.1 -6.1 20.8 0.6 162 74 B D H X S+ 0 0 88 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.937 112.9 50.6 -56.2 -49.8 -9.8 20.1 0.4 163 75 B A H X S+ 0 0 26 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.898 116.9 41.1 -55.1 -43.7 -10.3 20.2 4.2 164 76 B V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.906 113.0 52.2 -73.3 -43.9 -8.4 23.5 4.4 165 77 B X H X S+ 0 0 32 -4,-3.1 4,-3.0 -5,-0.3 5,-0.2 0.886 104.4 57.6 -62.9 -38.3 -10.0 25.1 1.4 166 78 B K H X S+ 0 0 130 -4,-2.5 4,-1.0 -5,-0.2 -1,-0.2 0.917 112.0 41.0 -54.6 -45.2 -13.5 24.3 2.6 167 79 B V H X S+ 0 0 34 -4,-1.1 4,-0.6 2,-0.2 -2,-0.2 0.894 112.9 55.5 -73.6 -40.3 -12.8 26.3 5.9 168 80 B Y H >< S+ 0 0 23 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.912 107.6 47.4 -56.2 -48.4 -11.0 29.0 3.9 169 81 B D H 3< S+ 0 0 125 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.769 112.1 53.3 -64.5 -25.4 -14.1 29.6 1.7 170 82 B E H 3< S+ 0 0 118 -4,-1.0 2,-0.3 -5,-0.2 -1,-0.2 0.542 94.3 98.0 -82.9 -9.2 -16.2 29.6 4.9 171 83 B T << 0 0 38 -3,-1.2 -74,-0.0 -4,-0.6 -3,-0.0 -0.653 360.0 360.0 -97.4 139.6 -14.0 32.3 6.5 172 84 B D 0 0 178 -2,-0.3 -1,-0.1 -74,-0.0 -2,-0.1 -0.583 360.0 360.0 103.6 360.0 -14.5 36.1 6.7