==== 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 LIGASE 09-SEP-02 1MOP . COMPND 2 MOLECULE: PANTOTHENATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.WANG,D.EISENBERG,TB STRUCTURAL GENOMICS CONSORTIUM (TBSGC) . 572 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24101.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 402 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 9.3 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 46 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 3 0 2 0 0 0 2 2 0 8 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 0 2 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 PARALLEL BRIDGES PER LADDER . 3 0 1 0 0 0 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 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 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 3 A I 0 0 144 0, 0.0 3,-0.1 0, 0.0 16,-0.1 0.000 360.0 360.0 360.0 141.5 13.6 47.9 61.9 2 4 A P - 0 0 31 0, 0.0 2,-0.0 0, 0.0 10,-0.0 -0.206 360.0 -94.9 -58.7 149.9 16.0 49.8 59.6 3 5 A A - 0 0 65 1,-0.0 2,-0.4 2,-0.0 18,-0.1 -0.315 33.0-161.3 -69.7 148.3 14.4 51.8 56.7 4 6 A F - 0 0 50 -3,-0.1 94,-0.1 6,-0.0 -1,-0.0 -0.989 3.5-158.1-132.1 120.5 14.1 50.3 53.3 5 7 A H > - 0 0 98 -2,-0.4 3,-1.1 92,-0.2 -2,-0.0 -0.876 24.1-129.8-101.8 108.1 13.6 52.6 50.3 6 8 A P T 3 S+ 0 0 89 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.196 84.5 15.5 -59.3 144.9 12.0 50.6 47.5 7 9 A G T 3 S+ 0 0 67 1,-0.2 2,-0.3 88,-0.1 89,-0.1 0.688 110.8 89.9 67.2 18.4 13.6 50.8 44.0 8 10 A E S < S- 0 0 114 -3,-1.1 2,-0.6 89,-0.1 -1,-0.2 -0.881 89.4 -91.6-135.3 165.5 16.8 52.3 45.3 9 11 A L - 0 0 25 -2,-0.3 2,-0.5 -3,-0.1 89,-0.2 -0.748 39.9-164.7 -86.4 122.6 20.1 50.7 46.5 10 12 A N E -a 98 0A 9 87,-2.3 89,-2.7 -2,-0.6 2,-0.6 -0.919 4.2-155.4-107.0 126.2 19.9 50.2 50.3 11 13 A V E +a 99 0A 61 -2,-0.5 2,-0.4 87,-0.2 89,-0.2 -0.913 14.3 177.7-109.0 122.5 23.2 49.5 52.0 12 14 A Y E +a 100 0A 15 87,-2.7 89,-2.5 -2,-0.6 -2,-0.0 -0.972 15.3 174.7-123.5 136.4 23.3 47.7 55.3 13 15 A S + 0 0 58 -2,-0.4 90,-0.4 87,-0.2 -1,-0.1 0.732 59.5 84.4-107.3 -31.9 26.4 46.7 57.2 14 16 A A S >> S- 0 0 40 1,-0.2 4,-1.8 88,-0.1 3,-0.5 -0.565 71.4-142.1 -75.3 127.8 24.9 45.2 60.4 15 17 A P H 3> S+ 0 0 23 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.896 103.0 55.2 -55.4 -39.0 23.9 41.5 60.0 16 18 A G H 3> S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.865 104.9 52.7 -62.2 -37.4 20.9 42.2 62.2 17 19 A D H <> S+ 0 0 62 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.961 112.3 42.4 -65.9 -49.0 19.7 45.0 59.9 18 20 A V H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.883 114.0 53.1 -66.1 -32.5 19.8 42.9 56.7 19 21 A A H X S+ 0 0 17 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.938 111.3 46.4 -65.2 -45.3 18.3 39.9 58.5 20 22 A D H X S+ 0 0 67 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.913 116.1 44.3 -62.7 -44.4 15.4 42.1 59.8 21 23 A V H X S+ 0 0 3 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.910 112.0 51.8 -69.8 -39.9 14.8 43.7 56.4 22 24 A S H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.930 111.5 48.3 -60.6 -45.0 15.1 40.4 54.5 23 25 A R H X S+ 0 0 113 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.929 111.2 49.6 -60.3 -47.3 12.5 38.8 56.8 24 26 A A H X S+ 0 0 35 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.926 112.7 47.8 -59.8 -44.0 10.1 41.7 56.4 25 27 A L H ><>S+ 0 0 13 -4,-2.7 5,-2.0 1,-0.2 3,-0.5 0.921 111.2 50.0 -61.7 -45.4 10.5 41.5 52.6 26 28 A R H ><5S+ 0 0 62 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.887 106.9 55.7 -62.6 -38.0 9.9 37.7 52.6 27 29 A L H 3<5S+ 0 0 117 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.770 103.5 53.9 -67.7 -25.5 6.8 38.2 54.8 28 30 A T T <<5S- 0 0 104 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.512 127.0-100.3 -85.2 -4.5 5.2 40.6 52.2 29 31 A G T < 5S+ 0 0 60 -3,-1.2 2,-0.4 -4,-0.4 -3,-0.2 0.408 77.3 136.2 104.5 -2.0 5.8 37.9 49.6 30 32 A R < - 0 0 69 -5,-2.0 2,-0.5 28,-0.0 -1,-0.3 -0.661 53.3-128.7 -80.3 134.2 8.9 39.2 47.8 31 33 A R E -b 58 0A 92 26,-2.2 28,-2.1 -2,-0.4 2,-0.4 -0.725 20.7-133.2 -86.7 125.6 11.3 36.3 47.1 32 34 A V E -b 59 0A 0 -2,-0.5 119,-3.1 117,-0.2 120,-1.3 -0.614 19.2-167.7 -87.0 126.4 14.9 37.0 48.3 33 35 A M E -bc 60 152A 0 26,-2.6 28,-3.1 -2,-0.4 2,-0.4 -0.930 5.6-157.1-111.6 133.8 17.8 36.3 46.0 34 36 A L E -bc 61 153A 0 118,-2.4 120,-2.6 -2,-0.4 28,-0.2 -0.956 13.7-177.0-116.7 130.5 21.4 36.3 47.3 35 37 A V E -b 62 0A 0 26,-2.4 28,-1.8 -2,-0.4 2,-0.4 -0.928 19.2-155.3-121.2 99.9 24.6 36.8 45.3 36 38 A P E +b 63 0A 20 0, 0.0 2,-0.3 0, 0.0 28,-0.1 -0.659 25.6 160.8 -79.9 125.7 27.6 36.4 47.7 37 39 A T E -b 64 0A 13 26,-1.7 28,-1.8 -2,-0.4 3,-0.1 -0.913 48.1-136.9-139.3 168.9 30.7 38.3 46.5 38 40 A M - 0 0 28 1,-0.5 26,-0.2 -2,-0.3 28,-0.1 -0.042 57.7-116.2-112.6 27.8 34.0 39.6 47.7 39 41 A G S S+ 0 0 2 24,-0.4 -1,-0.5 1,-0.1 3,-0.1 -0.238 81.3 112.1 72.6-163.7 33.6 42.8 45.7 40 42 A A - 0 0 1 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.956 67.4-153.9 54.9 51.8 35.8 44.0 42.9 41 43 A L + 0 0 11 42,-0.2 2,-0.2 3,-0.1 -1,-0.2 -0.291 24.3 169.4 -66.8 135.1 32.8 43.5 40.7 42 44 A H >> - 0 0 37 -3,-0.1 4,-1.7 -2,-0.1 3,-1.1 -0.716 54.4 -76.8-130.7-176.7 33.0 42.7 37.0 43 45 A E H 3> S+ 0 0 80 1,-0.3 4,-1.9 -2,-0.2 5,-0.1 0.764 125.6 63.6 -57.8 -27.1 30.7 41.5 34.2 44 46 A G H 3> S+ 0 0 14 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.900 105.8 44.5 -64.2 -39.0 30.8 38.0 35.6 45 47 A H H <> S+ 0 0 30 -3,-1.1 4,-2.4 1,-0.2 3,-0.3 0.874 107.7 58.3 -71.6 -36.5 29.2 39.2 38.8 46 48 A L H X S+ 0 0 8 -4,-1.7 4,-3.1 1,-0.3 5,-0.2 0.877 100.5 57.4 -62.7 -34.5 26.7 41.3 36.8 47 49 A A H X S+ 0 0 23 -4,-1.9 4,-2.0 2,-0.2 -1,-0.3 0.894 107.2 48.3 -61.7 -38.1 25.6 38.1 35.1 48 50 A L H X S+ 0 0 13 -4,-1.0 4,-2.3 -3,-0.3 -2,-0.2 0.931 111.8 49.7 -66.0 -44.6 24.8 36.6 38.6 49 51 A V H X S+ 0 0 3 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.915 111.4 48.0 -59.6 -45.8 22.9 39.8 39.5 50 52 A R H X S+ 0 0 105 -4,-3.1 4,-1.9 2,-0.2 -1,-0.2 0.888 109.0 53.3 -65.5 -36.0 20.9 39.7 36.3 51 53 A A H < S+ 0 0 26 -4,-2.0 4,-0.5 -5,-0.2 -1,-0.2 0.925 113.0 45.3 -63.3 -41.3 20.1 36.0 36.8 52 54 A A H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.913 110.0 54.3 -66.3 -43.0 18.8 36.9 40.3 53 55 A K H 3< S+ 0 0 95 -4,-2.7 5,-0.3 1,-0.2 -1,-0.2 0.814 100.0 60.3 -63.7 -31.7 16.8 39.9 39.1 54 56 A R T 3< S+ 0 0 162 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.644 74.6 106.4 -73.4 -15.4 14.9 37.9 36.5 55 57 A V S X S- 0 0 2 -3,-1.1 3,-1.5 -4,-0.5 -24,-0.1 -0.491 87.5-106.1 -63.2 121.6 13.3 35.6 39.1 56 58 A P T 3 S+ 0 0 80 0, 0.0 -25,-0.2 0, 0.0 -1,-0.1 -0.256 96.3 6.8 -56.4 134.2 9.8 36.9 39.2 57 59 A G T 3 S+ 0 0 57 1,-0.2 -26,-2.2 -4,-0.1 2,-0.1 0.722 97.7 149.8 71.3 23.2 8.8 38.9 42.3 58 60 A S E < -b 31 0A 16 -3,-1.5 2,-0.4 -5,-0.3 -26,-0.2 -0.443 41.0-156.7 -92.0 161.6 12.4 38.9 43.6 59 61 A V E -b 32 0A 0 -28,-2.1 -26,-2.6 -2,-0.1 2,-0.5 -0.994 25.2-137.0-128.7 131.2 14.4 41.4 45.7 60 62 A V E -b 33 0A 3 -2,-0.4 38,-1.6 35,-0.2 37,-0.5 -0.822 17.0-170.6-101.8 127.6 18.1 41.0 45.2 61 63 A V E -bd 34 98A 0 -28,-3.1 -26,-2.4 -2,-0.5 2,-0.5 -0.971 3.8-169.6-112.7 122.4 20.7 41.1 48.0 62 64 A V E -bd 35 99A 1 36,-2.6 38,-2.6 -2,-0.5 2,-0.4 -0.957 9.6-154.5-110.6 122.0 24.3 41.3 46.9 63 65 A S E -bd 36 100A 0 -28,-1.8 -26,-1.7 -2,-0.5 2,-0.4 -0.795 6.7-166.9 -97.3 143.7 26.8 40.7 49.8 64 66 A I E +b 37 0A 26 36,-2.7 2,-0.3 -2,-0.4 -26,-0.2 -0.970 27.3 140.8-129.4 113.2 30.3 42.2 49.5 65 67 A F - 0 0 13 -28,-1.8 2,-1.5 -2,-0.4 -26,-0.1 -0.893 45.9-142.7-158.8 117.0 32.7 40.9 52.1 66 68 A V - 0 0 23 -2,-0.3 -28,-0.1 -28,-0.1 -2,-0.0 -0.741 34.0-144.6 -85.6 95.6 36.4 40.1 51.6 67 69 A N > - 0 0 2 -2,-1.5 3,-1.6 1,-0.2 4,-0.2 -0.473 13.5-160.5 -67.2 106.0 36.3 37.1 53.9 68 70 A P G > S+ 0 0 38 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.832 83.5 68.3 -58.7 -29.4 39.5 36.7 55.8 69 71 A M G 3 S+ 0 0 26 1,-0.3 67,-0.3 67,-0.2 68,-0.2 0.699 95.4 54.8 -65.0 -19.4 38.9 33.1 56.6 70 72 A Q G < S+ 0 0 22 -3,-1.6 2,-0.4 66,-0.3 -1,-0.3 0.387 90.6 89.3 -97.0 6.9 39.3 31.9 53.1 71 73 A F S < S- 0 0 35 -3,-1.7 2,-0.2 -4,-0.2 3,-0.1 -0.847 75.8-129.1-103.4 139.0 42.7 33.5 52.6 72 74 A G - 0 0 17 -2,-0.4 4,-0.4 1,-0.1 5,-0.4 -0.582 44.0 -83.2 -82.1 147.2 45.8 31.6 53.4 73 75 A A S S+ 0 0 114 -2,-0.2 2,-0.3 3,-0.1 -1,-0.1 -0.122 95.0 63.6 -48.1 144.8 48.3 33.4 55.6 74 76 A G S S- 0 0 64 1,-0.1 3,-0.4 -3,-0.1 4,-0.4 -0.914 109.1 -45.6 132.7-159.0 50.6 35.7 53.7 75 77 A G S > S+ 0 0 49 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.394 102.7 100.0 -91.7 8.2 49.9 38.8 51.7 76 78 A D H > S+ 0 0 57 -4,-0.4 4,-0.8 2,-0.2 -1,-0.2 0.896 81.4 48.9 -60.3 -43.4 46.9 37.4 49.8 77 79 A L H >4 S+ 0 0 47 -3,-0.4 3,-0.9 -5,-0.4 -1,-0.2 0.941 114.8 44.8 -64.0 -44.2 44.2 39.1 52.0 78 80 A D H 34 S+ 0 0 138 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.819 111.9 53.8 -68.7 -27.6 45.9 42.4 51.8 79 81 A A H 3< S+ 0 0 63 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.527 78.7 115.6 -83.2 -10.4 46.5 42.1 48.0 80 82 A Y S << S- 0 0 45 -3,-0.9 -40,-0.1 -4,-0.8 -14,-0.0 -0.423 76.3-107.0 -64.6 134.5 42.8 41.3 47.2 81 83 A P - 0 0 15 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.310 33.5-167.5 -65.2 137.9 41.4 44.1 45.0 82 84 A R + 0 0 120 -43,-0.1 -43,-0.1 -3,-0.1 -2,-0.0 -0.981 21.3 157.8-130.3 117.3 39.0 46.5 46.7 83 85 A T > + 0 0 34 -2,-0.5 4,-2.3 1,-0.1 -42,-0.2 -0.483 8.4 162.4-135.7 63.0 36.9 48.9 44.5 84 86 A P H > S+ 0 0 76 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.849 72.2 52.1 -52.2 -45.7 34.0 49.8 46.8 85 87 A D H > S+ 0 0 135 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.923 112.8 43.7 -63.2 -43.9 32.8 52.9 44.9 86 88 A D H > S+ 0 0 103 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.876 111.5 56.4 -68.3 -36.6 32.7 51.2 41.5 87 89 A D H X S+ 0 0 5 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.947 110.3 42.2 -61.5 -49.8 31.0 48.1 43.1 88 90 A L H X S+ 0 0 39 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.869 112.1 55.0 -66.3 -34.2 28.1 50.1 44.5 89 91 A A H X S+ 0 0 53 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.906 109.0 48.3 -64.9 -40.5 27.8 52.2 41.4 90 92 A Q H X S+ 0 0 53 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.883 110.1 51.2 -67.3 -38.2 27.4 49.0 39.3 91 93 A L H <>S+ 0 0 0 -4,-2.0 5,-2.3 1,-0.2 4,-0.4 0.893 109.5 50.9 -66.6 -37.0 24.8 47.6 41.7 92 94 A R H ><5S+ 0 0 137 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.900 109.3 50.5 -64.9 -39.8 22.8 50.9 41.5 93 95 A A H 3<5S+ 0 0 82 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.790 108.4 53.4 -68.5 -27.2 22.9 50.7 37.7 94 96 A E T 3<5S- 0 0 39 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.467 115.3-114.1 -86.5 -1.8 21.7 47.1 37.8 95 97 A G T < 5 + 0 0 35 -3,-1.0 2,-0.2 -4,-0.4 -35,-0.2 0.724 55.3 164.3 78.5 20.1 18.7 48.0 39.9 96 98 A V < - 0 0 3 -5,-2.3 -1,-0.2 -6,-0.2 3,-0.1 -0.530 24.1-163.2 -71.9 136.4 19.8 46.0 43.0 97 99 A E + 0 0 19 -37,-0.5 -87,-2.3 -2,-0.2 2,-0.4 0.683 68.4 43.0 -95.5 -19.6 17.9 47.1 46.1 98 100 A I E +ad 10 61A 0 -38,-1.6 -36,-2.6 -89,-0.2 2,-0.5 -0.975 50.5 179.5-136.1 125.3 20.1 45.6 48.8 99 101 A A E -ad 11 62A 0 -89,-2.7 -87,-2.7 -2,-0.4 2,-0.6 -0.987 15.7-157.8-114.7 129.1 23.9 45.6 49.3 100 102 A F E +ad 12 63A 0 -38,-2.6 -36,-2.7 -2,-0.5 -87,-0.2 -0.947 15.9 173.3-109.9 116.5 25.1 43.8 52.5 101 103 A T - 0 0 37 -89,-2.5 -36,-0.1 -2,-0.6 -38,-0.1 -0.648 11.3-176.7-127.1 72.0 28.6 45.1 53.5 102 104 A P - 0 0 11 0, 0.0 2,-0.2 0, 0.0 -88,-0.1 -0.241 22.6-120.2 -70.6 156.4 29.4 43.6 56.9 103 105 A T > - 0 0 79 -90,-0.4 4,-1.6 1,-0.1 5,-0.2 -0.541 24.1-113.7 -89.4 162.5 32.6 44.3 58.9 104 106 A T H > S+ 0 0 74 1,-0.2 4,-2.8 2,-0.2 -1,-0.1 0.896 117.9 53.8 -60.3 -40.7 35.1 41.6 59.9 105 107 A A H 4 S+ 0 0 71 1,-0.2 -1,-0.2 2,-0.2 6,-0.1 0.868 106.7 50.5 -64.0 -36.1 34.2 42.1 63.5 106 108 A A H 4 S+ 0 0 36 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.840 117.5 40.2 -72.7 -29.6 30.4 41.7 62.9 107 109 A M H < S+ 0 0 1 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.827 128.8 28.0 -86.1 -32.7 31.1 38.4 61.0 108 110 A Y >< + 0 0 32 -4,-2.8 3,-1.6 -5,-0.2 -1,-0.2 -0.400 66.0 148.1-127.9 59.2 33.8 37.0 63.3 109 111 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.791 84.8 37.9 -64.2 -25.1 33.1 38.5 66.8 110 112 A D T 3 S- 0 0 86 1,-0.5 -5,-0.1 -3,-0.2 -2,-0.0 0.060 108.9-127.5-113.2 24.4 34.5 35.3 68.4 111 113 A G < - 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0 0 42 -3,-1.0 -3,-0.2 -4,-0.3 2,-0.2 0.826 45.7-178.1 59.7 36.1 23.9 33.2 62.9 463 177 B L < - 0 0 16 -5,-2.0 2,-1.3 -6,-0.3 -1,-0.2 -0.448 28.0-135.9 -71.3 139.0 21.1 30.8 63.4 464 178 B D + 0 0 88 -2,-0.2 2,-0.3 -318,-0.1 -1,-0.1 -0.576 67.4 101.5 -96.5 70.2 17.6 32.2 63.9 465 179 B V - 0 0 21 -2,-1.3 2,-0.5 -7,-0.1 -25,-0.2 -0.983 67.9-125.1-148.6 147.8 16.5 30.0 66.8 466 180 B A E -n 440 0E 47 -27,-1.9 -25,-2.4 -2,-0.3 2,-0.5 -0.852 23.2-143.5 -95.5 132.0 16.2 30.5 70.5 467 181 B V E -n 441 0E 18 -2,-0.5 2,-0.5 -27,-0.2 -25,-0.2 -0.859 15.1-163.3 -98.0 127.2 18.1 27.9 72.6 468 182 B V E -n 442 0E 42 -27,-3.0 -25,-2.5 -2,-0.5 2,-0.5 -0.952 5.4-155.2-118.2 121.9 16.3 26.9 75.8 469 183 B G E -n 443 0E 21 -2,-0.5 -25,-0.2 -27,-0.2 -27,-0.0 -0.800 10.7-155.4 -94.4 132.3 18.1 25.1 78.6 470 184 B V E -n 444 0E 13 -27,-2.6 -25,-3.0 -2,-0.5 -24,-0.4 -0.918 23.7-106.1-111.7 131.4 15.9 23.1 80.9 471 185 B P - 0 0 86 0, 0.0 2,-0.1 0, 0.0 -134,-0.0 -0.145 43.9 -93.6 -55.0 145.4 16.9 22.2 84.5 472 186 B T - 0 0 28 96,-0.1 2,-0.4 -28,-0.1 -138,-0.0 -0.352 32.2-135.8 -62.3 134.0 18.0 18.7 85.3 473 187 B V - 0 0 41 8,-0.1 8,-2.8 -3,-0.1 2,-0.3 -0.773 28.6-161.7 -91.0 137.4 15.3 16.4 86.5 474 188 B R B -O 480 0F 78 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.906 18.5-113.7-127.4 151.7 16.5 14.3 89.5 475 189 B E > - 0 0 80 4,-3.0 3,-2.0 -2,-0.3 -1,-0.1 -0.152 53.3 -85.6 -68.2 173.2 15.5 11.1 91.3 476 190 B A T 3 S+ 0 0 117 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.725 130.0 45.6 -56.2 -25.5 14.3 11.4 94.9 477 191 B D T 3 S- 0 0 72 2,-0.1 -1,-0.3 0, 0.0 24,-0.1 0.357 125.6 -95.6-100.7 5.1 17.8 11.4 96.4 478 192 B G S < S+ 0 0 16 -3,-2.0 -2,-0.1 1,-0.3 3,-0.1 0.170 72.3 146.5 105.4 -16.3 19.3 13.9 93.9 479 193 B L - 0 0 6 -5,-0.1 -4,-3.0 1,-0.1 -1,-0.3 -0.322 55.9-113.9 -57.6 127.6 20.8 11.6 91.3 480 194 B A B -O 474 0F 3 -6,-0.2 -6,-0.2 86,-0.1 -1,-0.1 -0.388 37.1-105.4 -62.5 133.4 20.4 13.2 87.9 481 195 B M + 0 0 30 -8,-2.8 2,-0.3 -2,-0.1 -8,-0.1 -0.371 55.2 152.7 -65.9 139.6 18.1 11.2 85.7 482 196 B S > - 0 0 30 -3,-0.1 3,-1.3 -2,-0.1 4,-0.4 -0.960 55.7-122.1-163.4 146.7 19.8 9.2 83.0 483 197 B S T 3 S+ 0 0 29 -2,-0.3 3,-0.4 1,-0.2 4,-0.1 0.661 112.2 63.2 -66.4 -14.9 19.2 6.0 80.9 484 198 B R T > S+ 0 0 90 1,-0.2 3,-1.8 2,-0.1 4,-0.4 0.677 78.7 82.4 -83.0 -16.5 22.5 4.8 82.4 485 199 B N G X S+ 0 0 17 -3,-1.3 3,-1.5 1,-0.3 -1,-0.2 0.845 81.7 63.5 -59.6 -32.7 21.4 4.8 86.0 486 200 B R G 3 S+ 0 0 185 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.1 0.698 91.8 65.7 -65.9 -17.9 19.7 1.4 85.6 487 201 B Y G < S+ 0 0 115 -3,-1.8 -1,-0.3 -4,-0.1 2,-0.2 0.677 80.4 99.7 -76.7 -17.2 23.1 -0.2 84.9 488 202 B L < - 0 0 15 -3,-1.5 73,-0.1 -4,-0.4 -3,-0.0 -0.502 69.5-137.5 -72.7 132.3 24.4 0.6 88.4 489 203 B D > - 0 0 76 -2,-0.2 4,-3.1 1,-0.1 5,-0.3 -0.250 38.8 -88.3 -77.4 176.1 24.3 -2.2 90.9 490 204 B P H > S+ 0 0 116 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.900 128.0 46.8 -55.7 -43.0 23.0 -1.5 94.4 491 205 B A H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.906 116.4 45.7 -64.0 -42.8 26.4 -0.5 95.9 492 206 B Q H > S+ 0 0 46 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.878 110.3 53.1 -67.6 -41.6 27.1 1.7 92.9 493 207 B R H < S+ 0 0 66 -4,-3.1 4,-0.5 1,-0.2 -2,-0.2 0.887 110.5 47.7 -63.7 -35.9 23.6 3.3 92.9 494 208 B A H >< S+ 0 0 66 -4,-2.0 3,-0.9 -5,-0.3 4,-0.2 0.916 113.8 47.0 -71.2 -40.7 24.1 4.2 96.6 495 209 B A H >< S+ 0 0 11 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.798 97.9 71.8 -68.9 -26.6 27.5 5.7 95.9 496 210 B A T >X S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.3 4,-0.6 0.702 78.3 76.2 -63.5 -22.0 26.3 7.6 92.9 497 211 B V H <> S+ 0 0 48 -3,-0.9 4,-2.6 -4,-0.5 5,-0.3 0.792 78.4 78.5 -59.8 -25.1 24.4 10.0 95.1 498 212 B A H <> S+ 0 0 7 -3,-1.8 4,-2.4 -4,-0.2 -1,-0.3 0.793 83.8 60.5 -55.8 -30.5 27.8 11.5 95.9 499 213 B L H <> S+ 0 0 4 -3,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.978 112.6 34.5 -63.0 -54.5 27.8 13.4 92.6 500 214 B S H X S+ 0 0 5 -4,-0.6 4,-2.6 1,-0.2 5,-0.3 0.877 118.8 52.2 -67.9 -36.4 24.7 15.5 93.3 501 215 B A H X S+ 0 0 36 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.887 109.0 51.4 -67.5 -36.9 25.5 15.7 97.0 502 216 B A H X S+ 0 0 1 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.914 112.8 45.8 -64.2 -42.5 29.0 17.0 96.2 503 217 B L H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.908 113.5 46.3 -68.6 -43.2 27.5 19.7 93.9 504 218 B T H X S+ 0 0 63 -4,-2.6 4,-1.4 2,-0.2 5,-0.2 0.883 112.4 52.1 -69.0 -34.7 24.8 20.9 96.2 505 219 B A H X S+ 0 0 37 -4,-2.2 4,-2.3 -5,-0.3 3,-0.3 0.943 110.8 48.3 -64.5 -43.8 27.3 21.0 99.1 506 220 B A H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.888 105.2 58.3 -60.6 -42.1 29.6 23.1 96.9 507 221 B A H < S+ 0 0 28 -4,-2.3 65,-0.3 1,-0.2 -1,-0.2 0.840 113.9 38.2 -59.0 -35.5 26.8 25.4 95.9 508 222 B H H >< S+ 0 0 150 -4,-1.4 3,-1.0 -3,-0.3 -1,-0.2 0.780 111.4 56.8 -87.3 -29.5 26.2 26.3 99.5 509 223 B A H >< S+ 0 0 27 -4,-2.3 3,-2.6 1,-0.2 -2,-0.2 0.744 86.6 87.8 -68.7 -21.9 29.9 26.3 100.5 510 224 B A G >< + 0 0 1 -4,-1.5 64,-2.3 1,-0.3 3,-1.9 0.616 65.2 75.7 -54.4 -21.4 30.4 28.9 97.8 511 225 B T G < S+ 0 0 112 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.1 0.765 97.4 52.9 -62.1 -21.3 29.6 31.8 100.2 512 226 B A G < S- 0 0 78 -3,-2.6 -1,-0.3 1,-0.3 4,-0.3 0.355 124.7 -88.8 -95.5 5.6 33.1 31.1 101.5 513 227 B G <> - 0 0 19 -3,-1.9 4,-1.9 1,-0.1 -1,-0.3 -0.332 42.6 -68.8 112.9 166.7 34.8 31.2 98.0 514 228 B A H > S+ 0 0 33 34,-0.3 4,-2.7 1,-0.2 5,-0.2 0.881 127.0 52.0 -62.2 -40.8 35.6 29.1 95.0 515 229 B Q H > S+ 0 0 123 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.917 108.8 50.0 -65.5 -41.5 38.2 27.1 96.9 516 230 B A H > S+ 0 0 33 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.896 111.3 50.7 -62.8 -39.0 35.8 26.2 99.7 517 231 B A H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.954 113.1 44.2 -63.7 -49.7 33.3 25.1 97.1 518 232 B L H X S+ 0 0 42 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.909 114.0 49.9 -62.3 -43.0 35.7 22.9 95.3 519 233 B D H X S+ 0 0 92 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.873 109.5 51.1 -65.6 -36.2 37.1 21.4 98.5 520 234 B A H X S+ 0 0 27 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.914 111.7 47.3 -66.9 -43.6 33.6 20.7 99.8 521 235 B A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.941 111.8 49.8 -64.2 -43.9 32.6 18.8 96.6 522 236 B R H X S+ 0 0 96 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.903 107.5 55.5 -60.8 -38.1 35.9 16.9 96.6 523 237 B A H X S+ 0 0 59 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.907 108.6 47.0 -62.0 -41.4 35.3 15.9 100.3 524 238 B V H >< S+ 0 0 41 -4,-1.9 3,-1.0 1,-0.2 4,-0.2 0.935 113.2 47.6 -67.2 -42.6 31.9 14.4 99.4 525 239 B L H >< S+ 0 0 5 -4,-2.4 3,-1.5 1,-0.3 -2,-0.2 0.888 108.5 56.5 -64.9 -36.3 33.2 12.5 96.4 526 240 B D H 3< S+ 0 0 118 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.665 98.7 61.6 -69.7 -14.6 36.1 11.3 98.6 527 241 B A T << S+ 0 0 87 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.469 91.9 83.8 -89.2 -0.1 33.6 9.8 101.1 528 242 B A S X S- 0 0 21 -3,-1.5 3,-0.6 -4,-0.2 2,-0.2 -0.833 73.6-133.5-108.3 138.6 32.2 7.5 98.4 529 243 B P T 3 S+ 0 0 102 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.611 83.1 13.4 -88.6 151.4 33.6 4.1 97.5 530 244 B G T 3 S+ 0 0 66 -2,-0.2 2,-0.6 1,-0.2 31,-0.4 0.740 85.3 130.7 59.5 29.9 34.1 3.0 93.8 531 245 B V < - 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0 0 41 -8,-0.6 6,-0.1 -6,-0.1 -6,-0.1 -0.516 38.2-124.9 -70.2 128.8 36.0 31.0 86.4 547 261 B P - 0 0 61 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.227 31.0 -95.2 -69.8 161.9 36.0 34.7 87.3 548 262 B L S S- 0 0 171 1,-0.1 -34,-0.3 -34,-0.0 2,-0.3 0.869 104.0 -20.2 -44.8 -41.5 37.3 36.0 90.6 549 263 B N S S+ 0 0 111 2,-0.1 2,-0.3 -36,-0.1 25,-0.1 -0.922 98.2 71.7-156.0 177.9 33.7 35.9 91.7 550 264 B G E S- R 0 573G 26 23,-1.2 23,-3.2 -2,-0.3 2,-0.3 -0.760 84.8 -7.1 109.7-157.5 30.2 35.9 90.3 551 265 B S E + R 0 572G 58 -2,-0.3 -10,-0.6 21,-0.2 2,-0.3 -0.569 67.4 149.4 -83.0 139.8 28.2 33.2 88.4 552 266 B G E -PR 540 571G 1 19,-2.9 19,-2.4 -2,-0.3 2,-0.4 -0.842 37.8-117.3-151.4-175.1 29.8 29.9 87.4 553 267 B R E -PR 539 570G 21 -14,-2.8 -14,-2.8 -2,-0.3 2,-0.5 -1.000 13.4-151.8-136.4 133.3 29.1 26.3 86.8 554 268 B L E -PR 538 569G 2 15,-2.7 15,-2.2 -2,-0.4 2,-0.4 -0.929 19.9-171.8-105.8 126.2 30.6 23.3 88.7 555 269 B L E -PR 537 568G 6 -18,-2.6 -18,-2.5 -2,-0.5 2,-0.3 -0.945 6.9-177.8-121.0 141.9 30.8 20.1 86.6 556 270 B V E -PR 536 567G 1 11,-2.7 11,-2.1 -2,-0.4 2,-0.3 -0.975 6.1-177.3-135.9 148.0 31.7 16.6 87.6 557 271 B A E +PR 535 566G 0 -22,-1.8 -23,-2.7 -2,-0.3 -22,-1.4 -0.986 13.4 168.3-142.0 139.6 32.1 13.3 85.7 558 272 B A E -PR 533 565G 0 7,-2.4 7,-3.0 -2,-0.3 2,-0.5 -0.995 28.8-129.2-152.3 154.8 32.9 9.9 87.3 559 273 B R E -PR 532 564G 113 -27,-2.6 -27,-2.6 -2,-0.3 2,-0.6 -0.901 14.1-171.6-109.0 130.9 33.0 6.3 86.5 560 274 B L E > S- R 0 563G 0 3,-3.0 3,-2.0 -2,-0.5 2,-0.5 -0.944 73.5 -46.4-118.5 105.4 31.3 3.7 88.7 561 275 B G T 3 S- 0 0 49 -2,-0.6 -29,-0.1 -31,-0.4 -73,-0.1 -0.598 124.0 -27.1 68.2-121.7 32.3 0.3 87.4 562 276 B T T 3 S+ 0 0 148 -2,-0.5 2,-0.5 -75,-0.1 -1,-0.3 0.361 118.9 99.9-106.1 5.4 31.8 0.7 83.6 563 277 B T E < -R 560 0G 13 -3,-2.0 -3,-3.0 -76,-0.1 2,-0.5 -0.819 60.4-151.2-100.0 124.7 29.1 3.3 83.9 564 278 B R E -R 559 0G 20 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.835 14.9-170.1 -97.9 123.9 30.1 7.0 83.3 565 279 B L E -R 558 0G 7 -7,-3.0 -7,-2.4 -2,-0.5 2,-0.3 -0.881 2.8-168.1-115.0 145.8 27.9 9.5 85.2 566 280 B L E +R 557 0G 27 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.938 11.3 162.6-129.9 151.5 27.8 13.3 84.8 567 281 B D E -R 556 0G 4 -11,-2.1 -11,-2.7 -2,-0.3 2,-0.3 -0.971 7.0-179.2-159.4 162.5 26.3 16.2 86.8 568 282 B N E -R 555 0G 4 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.980 5.2-163.4-160.8 160.6 26.7 19.9 87.1 569 283 B I E -R 554 0G 31 -15,-2.2 -15,-2.7 -2,-0.3 2,-0.2 -0.995 29.8-101.8-151.3 151.3 25.2 22.8 89.1 570 284 B A E -R 553 0G 46 -2,-0.3 2,-0.4 -17,-0.2 -17,-0.2 -0.535 39.6-165.4 -69.5 141.1 25.0 26.6 89.0 571 285 B I E -R 552 0G 3 -19,-2.4 -19,-2.9 -2,-0.2 2,-0.5 -0.987 13.6-160.2-130.7 136.9 27.5 28.2 91.5 572 286 B E E -R 551 0G 105 -2,-0.4 2,-0.8 -65,-0.3 -21,-0.2 -0.984 22.7-136.7-117.6 116.3 27.5 31.8 92.8 573 287 B I E R 550 0G 15 -23,-3.2 -23,-1.2 -2,-0.5 -62,-0.2 -0.660 360.0 360.0 -81.1 111.0 30.9 32.7 94.2 574 288 B G 0 0 66 -64,-2.3 -1,-0.2 -2,-0.8 -2,-0.0 -0.501 360.0 360.0 106.0 360.0 30.6 34.6 97.4