==== 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 TRANSFERASE 22-JUL-08 3DWG . COMPND 2 MOLECULE: CYSTEINE SYNTHASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR C.T.JURGENSON,K.E.BURNS,T.P.BEGLEY,S.E.EALICK . 738 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26675.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 532 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 6.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 45 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 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 1 0 0 3 3 2 2 0 6 1 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 3 1 5 2 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 . 11 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 0 0 1 0 0 0 0 1 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 R 0 0 103 0, 0.0 3,-0.1 0, 0.0 329,-0.0 0.000 360.0 360.0 360.0 143.2 37.0 -9.8 28.8 2 0 A H + 0 0 107 1,-0.2 2,-0.3 13,-0.1 328,-0.0 0.792 360.0 123.5 60.8 30.4 39.4 -12.4 27.4 3 1 A M + 0 0 104 1,-0.1 -1,-0.2 12,-0.1 325,-0.1 -0.913 36.5 176.0-120.0 151.6 37.0 -13.3 24.6 4 2 A T + 0 0 42 -2,-0.3 340,-2.7 1,-0.2 2,-0.4 0.521 66.4 68.1-126.5 -19.8 37.6 -13.3 20.8 5 3 A R E +a 344 0A 68 338,-0.2 2,-0.3 340,-0.1 340,-0.2 -0.904 60.2 174.1-104.4 134.1 34.3 -14.7 19.4 6 4 A Y E -a 345 0A 26 338,-2.6 340,-2.8 -2,-0.4 6,-0.1 -0.958 37.4-131.7-134.4 153.2 31.1 -12.7 19.7 7 5 A D S S+ 0 0 63 -2,-0.3 341,-0.5 338,-0.2 2,-0.3 0.459 89.3 5.0 -85.7 -1.5 27.6 -13.1 18.5 8 6 A S S > S- 0 0 23 336,-0.1 4,-0.6 1,-0.1 338,-0.1 -0.967 75.3-104.0-171.5 161.8 27.4 -9.5 17.1 9 7 A L T >4 S+ 0 0 6 574,-0.3 3,-1.3 -2,-0.3 4,-0.2 0.905 119.1 52.8 -63.5 -41.5 29.5 -6.3 16.6 10 8 A L G >4 S+ 0 0 34 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.840 102.5 59.3 -66.0 -30.0 27.8 -4.5 19.6 11 9 A Q G 34 S+ 0 0 106 1,-0.2 -1,-0.3 3,-0.0 -2,-0.2 0.741 97.6 60.7 -68.5 -19.7 28.6 -7.5 21.8 12 10 A A G << S+ 0 0 4 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.378 78.1 136.6 -86.7 -0.3 32.4 -6.9 21.1 13 11 A L < - 0 0 41 -3,-1.4 34,-0.1 -4,-0.2 -3,-0.1 -0.140 61.5 -13.1 -46.5 137.5 32.2 -3.4 22.6 14 12 A G S S+ 0 0 6 32,-0.1 152,-0.0 30,-0.1 153,-0.0 -0.317 70.3 118.3 72.8-154.5 35.1 -2.4 24.8 15 13 A N + 0 0 59 1,-0.1 -1,-0.1 -14,-0.0 -13,-0.1 0.923 56.0 179.0 46.2 45.5 37.7 -4.6 26.3 16 14 A T - 0 0 2 1,-0.1 -1,-0.1 26,-0.0 28,-0.1 -0.438 29.2 -94.3 -76.7 155.8 40.3 -2.6 24.3 17 15 A P - 0 0 15 0, 0.0 26,-2.5 0, 0.0 2,-0.5 -0.262 22.5-148.0 -70.3 151.1 44.0 -3.1 24.4 18 16 A L E -Hi 42 331B 0 312,-2.6 314,-2.5 24,-0.2 2,-0.5 -0.993 22.6-169.3-117.1 119.0 46.4 -1.3 26.7 19 17 A V E -Hi 41 332B 0 22,-2.6 22,-3.3 -2,-0.5 314,-0.2 -0.944 18.1-127.3-120.9 123.9 49.8 -0.9 24.8 20 18 A G E -H 40 0B 0 312,-2.8 2,-0.8 -2,-0.5 20,-0.2 -0.419 10.0-145.0 -65.1 144.1 53.1 0.3 26.4 21 19 A L > + 0 0 0 18,-2.4 4,-1.9 1,-0.2 18,-0.4 -0.792 25.6 172.6-109.5 77.3 54.9 3.2 24.6 22 20 A Q T 4 S+ 0 0 80 -2,-0.8 6,-0.4 311,-0.4 -1,-0.2 0.820 75.2 42.2 -61.1 -32.6 58.4 2.1 25.3 23 21 A R T 4 S+ 0 0 137 1,-0.2 -1,-0.2 -3,-0.1 237,-0.1 0.843 118.2 42.3 -84.9 -38.6 60.0 4.8 23.1 24 22 A L T 4 S+ 0 0 27 15,-0.1 -2,-0.2 232,-0.1 -1,-0.2 0.697 89.1 104.4 -79.0 -23.3 57.9 7.7 24.1 25 23 A S S < S- 0 0 10 -4,-1.9 3,-0.4 14,-0.2 13,-0.2 -0.413 77.5-128.5 -57.7 138.8 57.9 7.0 27.8 26 24 A P S S- 0 0 42 0, 0.0 2,-0.2 0, 0.0 12,-0.2 0.878 97.5 -0.7 -55.5 -37.8 60.3 9.3 29.8 27 25 A R B -J 37 0B 56 10,-2.5 10,-2.8 1,-0.1 -4,-0.1 -0.707 62.3-172.1-156.0 103.4 61.8 6.1 31.3 28 26 A W S S+ 0 0 24 -3,-0.4 2,-0.3 -6,-0.4 8,-0.1 0.915 73.7 31.4 -61.6 -48.2 60.6 2.6 30.5 29 27 A D S S- 0 0 100 -7,-0.1 8,-0.1 6,-0.1 -1,-0.1 -0.873 91.2 -97.3-113.6 150.5 62.7 0.6 33.0 30 28 A D + 0 0 107 -2,-0.3 2,-0.2 6,-0.1 -2,-0.0 -0.356 53.8 178.7 -49.5 129.4 63.9 1.4 36.5 31 29 A G B > -T 34 0C 43 3,-2.6 3,-1.7 -4,-0.0 -1,-0.0 -0.769 48.6 -89.3-128.1 179.9 67.5 2.5 36.1 32 30 A R T 3 S+ 0 0 250 1,-0.3 -2,-0.1 -2,-0.2 -1,-0.0 0.740 125.0 60.2 -60.6 -22.4 70.4 3.8 38.3 33 31 A D T 3 S- 0 0 132 1,-0.3 -1,-0.3 2,-0.0 -3,-0.1 0.499 122.4 -71.3 -87.4 -5.0 69.0 7.3 37.7 34 32 A G B < -T 31 0C 21 -3,-1.7 -3,-2.6 252,-0.0 -1,-0.3 -0.824 66.7 -38.2 140.3-179.9 65.6 6.5 39.2 35 33 A P - 0 0 36 0, 0.0 -6,-0.1 0, 0.0 251,-0.1 -0.232 67.7 -84.9 -75.5 163.2 62.3 4.6 38.8 36 34 A H - 0 0 16 -8,-0.1 253,-2.0 252,-0.1 2,-0.4 -0.232 25.4-160.6 -62.0 156.3 60.4 4.1 35.6 37 35 A V E -Jk 27 289B 0 -10,-2.8 -10,-2.5 251,-0.2 2,-0.3 -0.892 24.9-174.3-139.5 97.0 57.9 6.6 34.1 38 36 A R E - k 0 290B 37 251,-2.3 253,-2.9 -2,-0.4 2,-0.4 -0.800 19.3-152.0-103.5 138.1 55.8 4.6 31.7 39 37 A L E - k 0 291B 0 -18,-0.4 -18,-2.4 -2,-0.3 2,-0.4 -0.939 13.2-169.6-104.1 137.6 53.1 5.7 29.3 40 38 A W E -Hk 20 292B 0 251,-2.4 253,-2.6 -2,-0.4 2,-0.5 -0.996 10.9-146.3-127.1 130.8 50.3 3.2 28.4 41 39 A A E -Hk 19 293B 0 -22,-3.3 -22,-2.6 -2,-0.4 2,-0.7 -0.854 1.6-151.0-106.6 125.9 47.9 3.8 25.5 42 40 A K E -Hk 18 294B 0 251,-2.7 253,-2.8 -2,-0.5 2,-1.7 -0.818 17.7-142.0 -92.4 116.0 44.3 2.6 25.8 43 41 A L E > + k 0 295B 3 -26,-2.5 3,-1.6 -2,-0.7 253,-0.1 -0.542 32.3 164.9 -89.3 82.8 43.2 2.0 22.2 44 42 A E T 3 + 0 0 0 -2,-1.7 -1,-0.2 251,-1.5 252,-0.2 0.492 65.5 79.3 -79.0 -2.7 39.6 3.1 22.1 45 43 A D T 3 S+ 0 0 39 250,-0.4 2,-1.6 1,-0.2 -1,-0.3 0.587 74.5 82.4 -71.1 -10.5 39.6 3.1 18.3 46 44 A R S < S+ 0 0 28 -3,-1.6 -1,-0.2 4,-0.1 -32,-0.1 -0.470 73.4 105.5 -93.8 57.4 39.2 -0.7 18.7 47 45 A N S > S- 0 0 3 -2,-1.6 3,-1.6 -34,-0.1 -34,-0.1 -0.901 91.4 -85.6-134.5 159.6 35.4 -0.3 19.2 48 46 A P T 3 S+ 0 0 16 0, 0.0 538,-0.3 0, 0.0 -38,-0.1 0.811 126.1 22.0 -40.0 -50.1 32.5 -1.0 16.8 49 47 A T T 3 S- 0 0 8 2,-0.3 3,-0.1 536,-0.1 -3,-0.1 0.290 120.2 -96.1-107.1 7.0 32.6 2.4 14.9 50 48 A G S < S+ 0 0 10 -3,-1.6 248,-0.7 1,-0.2 2,-0.3 0.652 89.7 80.9 91.7 20.7 36.2 3.3 15.7 51 49 A S B > S-U 297 0D 0 246,-0.2 3,-1.8 -6,-0.1 -2,-0.3 -0.996 82.8-109.8-152.9 166.0 35.9 5.6 18.8 52 50 A I T > S+ 0 0 4 244,-2.3 3,-1.8 -2,-0.3 245,-0.1 0.686 104.2 80.9 -60.3 -22.8 35.4 5.6 22.6 53 51 A K T 3> S+ 0 0 35 243,-0.3 4,-2.4 1,-0.3 -1,-0.3 0.640 70.1 78.6 -69.2 -12.8 31.9 7.0 22.0 54 52 A D H <> S+ 0 0 2 -3,-1.8 4,-2.3 1,-0.2 5,-0.3 0.870 90.3 58.5 -57.8 -29.0 30.6 3.5 21.3 55 53 A R H <> S+ 0 0 10 -3,-1.8 4,-2.3 -4,-0.2 5,-0.2 0.983 112.4 32.7 -69.7 -58.4 30.6 3.1 25.1 56 54 A P H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.877 118.4 56.2 -67.4 -32.2 28.3 6.0 26.2 57 55 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.966 111.8 41.0 -65.9 -48.1 26.2 5.7 23.0 58 56 A V H X S+ 0 0 11 -4,-2.3 4,-2.8 -5,-0.3 5,-0.2 0.944 117.7 48.5 -61.7 -45.1 25.4 2.0 23.6 59 57 A R H X S+ 0 0 79 -4,-2.3 4,-2.8 -5,-0.3 5,-0.2 0.907 112.0 48.9 -62.1 -45.7 24.9 2.6 27.4 60 58 A M H X S+ 0 0 0 -4,-3.1 4,-2.4 -5,-0.2 -1,-0.2 0.910 113.5 46.1 -59.4 -45.9 22.6 5.6 26.8 61 59 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.932 114.9 47.5 -61.9 -47.2 20.5 3.7 24.3 62 60 A E H X S+ 0 0 95 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.877 111.6 49.6 -66.5 -39.0 20.2 0.7 26.5 63 61 A Q H X S+ 0 0 70 -4,-2.8 4,-2.8 -5,-0.2 -1,-0.2 0.940 112.8 47.9 -59.9 -47.0 19.3 2.7 29.6 64 62 A A H <>S+ 0 0 3 -4,-2.4 5,-2.5 -5,-0.2 6,-1.2 0.828 111.2 50.2 -63.2 -37.8 16.7 4.5 27.6 65 63 A E H ><5S+ 0 0 58 -4,-2.3 3,-1.4 4,-0.2 -2,-0.2 0.940 112.2 47.8 -64.2 -45.3 15.3 1.2 26.3 66 64 A A H 3<5S+ 0 0 82 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.878 110.0 52.5 -59.4 -38.9 15.2 -0.1 29.9 67 65 A D T 3<5S- 0 0 97 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.526 115.8-118.1 -69.9 -11.2 13.5 3.2 30.9 68 66 A G T < 5S+ 0 0 23 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.613 83.2 118.9 76.7 16.3 10.8 2.5 28.1 69 67 A L < + 0 0 104 -5,-2.5 2,-0.6 -6,-0.2 -4,-0.2 0.767 66.4 58.4 -81.7 -28.5 11.8 5.8 26.3 70 68 A L + 0 0 8 -6,-1.2 -1,-0.2 -9,-0.2 -2,-0.2 -0.943 61.6 156.4-112.7 119.4 12.8 4.0 23.2 71 69 A R > - 0 0 168 -2,-0.6 3,-2.2 1,-0.1 -6,-0.0 -0.863 55.9 -57.0-130.0 164.4 10.5 1.8 21.2 72 70 A P T 3 S+ 0 0 124 0, 0.0 25,-0.1 0, 0.0 24,-0.1 -0.049 123.4 13.7 -50.0 137.0 10.5 0.7 17.6 73 71 A G T 3 S+ 0 0 59 23,-1.7 24,-0.1 1,-0.2 23,-0.1 0.442 89.7 150.4 77.9 0.8 10.4 3.6 15.1 74 72 A A < - 0 0 21 -3,-2.2 24,-2.7 22,-0.1 2,-0.5 -0.198 45.3-123.2 -58.8 152.7 11.3 6.2 17.8 75 73 A T E -v 98 0E 17 72,-0.3 74,-3.1 22,-0.2 2,-0.4 -0.945 20.1-159.7-101.1 128.3 13.3 9.4 16.8 76 74 A I E -vw 99 149E 0 22,-2.8 24,-2.4 -2,-0.5 2,-0.4 -0.885 5.6-167.6-102.6 133.0 16.6 10.1 18.6 77 75 A L E +v 100 0E 0 72,-2.5 74,-0.5 -2,-0.4 75,-0.4 -0.989 13.7 168.5-120.6 129.8 17.9 13.7 18.5 78 76 A E E -v 101 0E 0 22,-2.2 24,-2.2 -2,-0.4 2,-0.4 -0.960 32.5-138.5-147.3 132.7 21.4 14.4 19.6 79 77 A P E +v 102 0E 0 0, 0.0 2,-0.3 0, 0.0 74,-0.3 -0.705 43.2 158.6 -81.3 135.9 23.9 17.3 19.5 80 78 A T - 0 0 1 22,-2.5 -2,-0.0 -2,-0.4 21,-0.0 -0.996 53.1-137.2-155.0 155.2 27.4 15.9 18.7 81 79 A S S S- 0 0 12 -2,-0.3 22,-0.1 244,-0.2 30,-0.1 0.350 76.5 -82.9 -98.0 5.1 30.7 16.9 17.3 82 80 A G S > S+ 0 0 0 25,-0.1 4,-2.7 29,-0.1 5,-0.2 -0.418 115.2 72.1 137.7 -56.9 30.7 13.6 15.3 83 81 A N H > S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.894 102.1 44.2 -61.8 -46.6 31.9 10.6 17.2 84 82 A T H > S+ 0 0 2 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.920 114.0 52.5 -61.9 -44.1 28.8 10.2 19.5 85 83 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.912 109.3 49.0 -61.0 -42.6 26.5 10.8 16.4 86 84 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.931 112.9 47.4 -61.6 -43.4 28.4 8.0 14.5 87 85 A S H X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.935 115.4 45.1 -64.2 -44.5 28.1 5.6 17.4 88 86 A L H X S+ 0 0 0 -4,-3.2 4,-3.1 2,-0.2 5,-0.2 0.840 109.1 56.6 -65.6 -34.1 24.4 6.4 17.8 89 87 A A H X S+ 0 0 1 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.921 109.9 45.4 -65.6 -40.9 23.8 6.2 14.0 90 88 A M H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.962 116.4 43.8 -63.7 -51.8 25.2 2.7 13.9 91 89 A A H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.909 114.9 50.3 -65.9 -36.0 23.2 1.5 17.0 92 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-10.4 -8.3 568 243 B G E > -g 536 0A 32 -2,-0.5 4,-2.3 -33,-0.2 -31,-0.2 -0.257 28.4-108.8 -74.4 165.5 31.9 -7.2 -10.1 569 244 B A H > S+ 0 0 4 -33,-0.5 4,-3.1 2,-0.2 5,-0.2 0.867 114.9 56.3 -62.0 -40.2 31.9 -3.7 -8.6 570 245 B V H > S+ 0 0 80 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.944 111.6 43.8 -63.6 -42.9 28.2 -3.2 -8.5 571 246 B D H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 113.5 51.0 -67.3 -40.9 27.7 -6.4 -6.4 572 247 B A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.906 110.9 48.7 -60.6 -43.0 30.6 -5.5 -4.2 573 248 B V H X S+ 0 0 4 -4,-3.1 4,-2.3 2,-0.2 5,-0.3 0.954 111.4 49.5 -63.4 -47.6 29.2 -2.0 -3.6 574 249 B R H X S+ 0 0 46 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.917 112.1 49.3 -58.0 -39.9 25.7 -3.4 -2.8 575 250 B R H X S+ 0 0 57 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.894 108.3 50.2 -73.5 -36.0 27.2 -5.9 -0.4 576 251 B T H X S+ 0 0 19 -4,-2.3 4,-1.7 2,-0.2 11,-0.3 0.902 113.0 48.0 -70.6 -34.4 29.4 -3.4 1.5 577 252 B R H X S+ 0 0 82 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.933 111.3 50.9 -62.6 -40.6 26.3 -1.1 1.9 578 253 B E H X S+ 0 0 64 -4,-2.6 4,-2.3 -5,-0.3 5,-0.3 0.907 109.3 50.8 -62.1 -39.4 24.2 -4.1 3.1 579 254 B L H X>S+ 0 0 3 -4,-2.3 4,-2.2 2,-0.2 6,-0.9 0.900 111.5 46.1 -69.2 -37.4 26.8 -5.0 5.6 580 255 B V H X5S+ 0 0 2 -4,-1.7 4,-1.2 4,-0.2 -2,-0.2 0.944 118.6 42.8 -74.1 -36.5 27.1 -1.5 7.2 581 256 B H H <5S+ 0 0 47 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.791 123.2 35.5 -76.4 -33.4 23.2 -1.2 7.3 582 257 B T H <5S+ 0 0 39 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.786 136.8 14.8 -91.0 -34.6 22.5 -4.7 8.6 583 258 B E H <5S- 0 0 6 -4,-2.2 -574,-0.3 -5,-0.3 -3,-0.2 0.502 92.2-121.1-123.0 -5.9 25.4 -5.4 10.9 584 259 B G << + 0 0 0 -4,-1.2 2,-0.5 -5,-0.7 -4,-0.2 0.425 64.8 139.0 80.7 -0.8 27.0 -2.0 11.5 585 260 B I - 0 0 10 -6,-0.9 2,-1.0 1,-0.0 -1,-0.2 -0.663 43.2-153.3 -87.8 121.3 30.4 -3.2 10.1 586 261 B F - 0 0 19 -2,-0.5 36,-2.2 -538,-0.3 37,-0.3 -0.784 27.9-177.1 -99.5 88.7 32.1 -0.6 7.9 587 262 B A B -E 621 0J 3 -2,-1.0 34,-0.3 34,-0.3 -7,-0.1 -0.554 25.0-105.1 -94.1 157.9 34.3 -2.7 5.6 588 263 B G >> - 0 0 0 32,-2.8 3,-0.8 -2,-0.2 4,-0.6 -0.130 42.2 -95.6 -72.7 173.2 36.8 -2.0 2.9 589 264 B I H >> S+ 0 0 5 1,-0.3 3,-0.9 32,-0.2 4,-0.7 0.829 120.1 58.4 -67.1 -30.3 36.1 -2.5 -0.8 590 265 B S H >> S+ 0 0 11 57,-0.4 4,-1.9 1,-0.2 3,-0.6 0.823 96.1 66.9 -67.8 -26.0 37.6 -6.1 -1.1 591 266 B T H <> S+ 0 0 0 -3,-0.8 4,-3.3 1,-0.3 5,-0.3 0.835 86.8 66.8 -68.2 -25.6 35.1 -7.2 1.6 592 267 B G H S+ 0 0 5 -4,-2.3 5,-2.5 1,-0.2 4,-0.4 0.899 112.1 51.2 -66.8 -39.1 23.8 -24.4 2.3 606 281 B L H ><5S+ 0 0 61 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.937 111.4 46.5 -62.3 -47.5 20.3 -23.2 3.2 607 282 B A H 3<5S+ 0 0 97 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.727 112.1 53.3 -65.7 -23.2 18.8 -24.6 -0.1 608 283 B A T 3<5S- 0 0 57 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.426 110.6-121.1 -91.9 -2.3 20.7 -27.9 0.6 609 284 B G T < 5 + 0 0 47 -3,-1.3 2,-0.3 -4,-0.4 -3,-0.2 0.765 65.1 144.3 68.8 26.8 19.3 -28.3 4.2 610 285 B E < - 0 0 98 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.2 -0.728 55.8-119.1-104.9 150.8 22.9 -28.2 5.6 611 286 B R - 0 0 109 -2,-0.3 2,-0.4 -3,-0.1 -248,-0.2 -0.641 39.7-176.8 -76.1 134.0 24.4 -26.8 8.7 612 287 B A E -d 363 0A 0 -250,-2.2 -248,-2.6 -2,-0.4 2,-0.4 -1.000 26.9-175.7-137.9 144.0 27.0 -24.2 7.8 613 288 B D E -d 364 0A 0 -2,-0.4 -111,-2.8 -113,-0.2 -110,-1.6 -0.931 22.7-170.8-134.0 100.1 29.4 -22.0 9.9 614 289 B I E -df 365 503A 0 -250,-3.1 -248,-2.9 -2,-0.4 2,-0.5 -0.885 8.7-159.5-105.5 114.1 31.0 -19.8 7.3 615 290 B A E -df 366 504A 0 -112,-2.5 -110,-2.8 -2,-0.6 2,-0.4 -0.788 13.8-174.1 -91.9 131.7 34.0 -17.6 8.3 616 291 B L E -df 367 505A 1 -250,-2.8 -248,-2.9 -2,-0.5 2,-0.5 -0.966 21.2-121.3-129.1 143.6 34.7 -14.7 6.1 617 292 B V E -d 368 0A 4 -112,-1.9 2,-0.8 -2,-0.4 -248,-0.2 -0.740 11.4-165.4 -86.4 131.6 37.6 -12.2 6.1 618 293 B V E -d 369 0A 1 -250,-2.6 -248,-1.4 -2,-0.5 -247,-0.5 -0.916 17.2-175.4-102.3 97.1 37.1 -8.5 6.5 619 294 B A - 0 0 18 -2,-0.8 -241,-2.2 -249,-0.2 2,-0.3 0.732 60.6 -5.1 -76.0 -26.5 40.6 -7.6 5.4 620 295 B D B S-A 377 0H 0 -243,-0.2 -32,-2.8 -242,-0.1 -249,-0.2 -0.939 74.3-105.8-155.2 168.0 40.4 -3.9 6.0 621 296 B A B -E 587 0J 6 -245,-0.7 3,-0.5 -34,-0.3 -34,-0.3 -0.396 34.6-104.9 -94.1 174.6 37.8 -1.2 7.0 622 297 B G S > S+ 0 0 0 -36,-2.2 3,-2.0 -34,-0.2 4,-0.5 0.666 93.2 96.6 -70.4 -13.8 36.1 1.4 4.9 623 298 B W G > S+ 0 0 36 -37,-0.3 3,-1.4 1,-0.3 4,-0.3 0.833 80.7 46.1 -55.6 -46.7 38.1 4.3 6.3 624 299 B K G 3 S+ 0 0 31 -3,-0.5 3,-0.3 1,-0.3 -1,-0.3 0.630 109.7 57.1 -73.7 -10.0 40.9 4.6 3.6 625 300 B Y G X >S+ 0 0 4 -3,-2.0 3,-1.4 -4,-0.2 5,-0.8 0.433 78.2 91.7 -96.9 -4.0 38.3 4.4 0.8 626 301 B L T < 5S+ 0 0 9 -3,-1.4 3,-0.5 -4,-0.5 5,-0.2 0.817 89.6 46.5 -61.4 -26.9 36.2 7.4 2.0 627 302 B S T 3 5S+ 0 0 65 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.396 100.1 72.5 -93.2 1.9 38.2 9.8 -0.2 628 303 B T T < 5S- 0 0 43 -3,-1.4 -1,-0.2 -194,-0.0 -2,-0.1 0.377 107.6-107.2 -99.0 -3.4 38.1 7.6 -3.3 629 304 B G T > 5S+ 0 0 35 -3,-0.5 3,-1.9 -4,-0.2 12,-0.2 0.382 82.3 126.6 91.9 -4.0 34.5 7.9 -4.4 630 305 B A T 3 S- 0 0 42 1,-0.2 4,-3.5 2,-0.0 5,-0.2 -0.609 71.4-151.7 -73.9 117.2 25.1 6.4 -7.4 635 310 B L H > S+ 0 0 37 -2,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.842 103.9 58.8 -50.1 -33.4 26.0 2.7 -7.5 636 311 B D H > S+ 0 0 125 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.924 108.6 40.6 -61.2 -46.3 27.0 3.7 -11.0 637 312 B D H > S+ 0 0 100 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.860 113.3 54.5 -69.6 -37.9 29.4 6.3 -9.8 638 313 B A H X S+ 0 0 0 -4,-3.5 4,-2.5 2,-0.2 5,-0.2 0.948 107.5 52.4 -59.0 -43.8 30.6 3.9 -7.0 639 314 B E H X S+ 0 0 8 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.926 107.8 49.4 -52.4 -53.7 31.3 1.3 -9.8 640 315 B T H X S+ 0 0 92 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.909 111.8 50.7 -55.2 -41.7 33.4 3.8 -11.7 641 316 B A H < S+ 0 0 18 -4,-2.1 -2,-0.2 -12,-0.2 -1,-0.2 0.911 110.2 47.1 -63.0 -46.8 35.3 4.6 -8.5 642 317 B L H >< S+ 0 0 2 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.896 110.9 52.9 -67.3 -36.8 36.0 0.9 -7.6 643 318 B E H 3< S+ 0 0 111 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.900 108.6 51.4 -63.7 -35.1 37.2 0.2 -11.1 644 319 B G T 3< S+ 0 0 73 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.2 0.216 107.1 58.0 -89.4 17.8 39.6 3.1 -11.0 645 320 B Q S < S- 0 0 29 -3,-1.3 2,-0.3 -4,-0.0 -106,-0.2 -0.958 80.6 -99.2-144.2 163.6 41.4 2.2 -7.7 646 321 B L - 0 0 36 -2,-0.3 -108,-0.1 -108,-0.3 -2,-0.1 -0.603 18.8-161.9 -79.4 136.9 43.4 -0.4 -5.8 647 322 B W 0 0 39 -2,-0.3 -57,-0.4 -110,-0.2 -1,-0.1 0.287 360.0 360.0-103.2 8.3 41.6 -2.6 -3.3 648 323 B A 0 0 34 -59,-0.1 -241,-0.1 -58,-0.1 -2,-0.0 -0.958 360.0 360.0-149.3 360.0 44.6 -3.7 -1.4 649 !* 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 0.0 650 2 C N 0 0 71 0, 0.0 79,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 136.9 56.2 40.6 31.1 651 3 C V E -P 671 0B 3 20,-3.0 20,-2.0 77,-0.2 2,-0.5 -0.907 360.0-122.3-131.2 159.3 53.7 38.1 29.7 652 4 C T E -Pq 670 731B 78 78,-2.0 80,-2.8 -2,-0.3 2,-0.5 -0.926 26.0-159.4-106.8 125.1 51.7 37.7 26.5 653 5 C V E -Pq 669 732B 0 16,-2.8 16,-2.1 -2,-0.5 2,-0.6 -0.906 8.0-145.3-110.5 122.9 48.0 37.5 27.0 654 6 C S E -Pq 668 733B 48 78,-3.0 80,-1.8 -2,-0.5 14,-0.2 -0.775 15.8-155.3 -89.6 125.8 45.6 36.0 24.4 655 7 C I - 0 0 0 12,-2.8 80,-0.1 -2,-0.6 5,-0.1 -0.860 10.8-132.8-106.4 121.1 42.4 37.9 24.3 656 8 C P >> - 0 0 6 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.245 29.6-104.4 -70.2 160.6 39.3 36.0 22.9 657 9 C T G >4 S+ 0 0 40 -441,-0.3 3,-1.3 1,-0.3 -437,-0.1 0.868 117.1 61.1 -54.1 -40.7 37.1 37.8 20.4 658 10 C I G 34 S+ 0 0 16 -439,-0.3 -1,-0.3 1,-0.3 -434,-0.1 0.758 109.5 41.6 -61.4 -24.4 34.3 38.5 22.9 659 11 C L G X4 S+ 0 0 2 -3,-1.6 3,-2.0 1,-0.2 4,-0.4 0.434 85.2 96.8-102.6 -1.4 36.7 40.7 25.1 660 12 C R G X<> + 0 0 33 -3,-1.3 5,-3.2 -4,-0.6 3,-0.8 0.708 67.5 72.7 -67.5 -20.5 38.5 42.5 22.3 661 13 C P G 3 5S+ 0 0 107 0, 0.0 3,-0.4 0, 0.0 -1,-0.3 0.722 98.2 53.0 -61.8 -17.5 36.3 45.6 22.5 662 14 C H G < 5S+ 0 0 46 -3,-2.0 -2,-0.2 1,-0.2 28,-0.2 0.668 109.6 46.8 -85.3 -19.3 38.2 46.2 25.8 663 15 C T T X 5S- 0 0 1 -3,-0.8 3,-1.7 -4,-0.4 -1,-0.2 0.019 119.6-100.7-112.3 26.7 41.6 46.0 24.1 664 16 C G T 3 5S- 0 0 75 -3,-0.4 3,-0.1 1,-0.3 -4,-0.1 0.816 81.6 -57.3 60.1 28.8 40.9 48.2 21.1 665 17 C G T 3 S-F 725 0K 43 50,-0.3 4,-2.4 1,-0.1 50,-0.2 -0.938 88.9-106.9-139.3 161.3 50.5 36.2 39.7 676 28 C L H > S+ 0 0 2 48,-1.8 4,-2.9 45,-0.3 5,-0.2 0.934 122.8 54.4 -52.3 -43.9 47.4 35.9 37.5 677 29 C G H > S+ 0 0 23 45,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.893 107.9 50.3 -59.2 -37.2 45.7 38.4 39.8 678 30 C A H > S+ 0 0 29 44,-0.3 4,-2.3 2,-0.2 -6,-0.2 0.879 110.2 49.3 -66.6 -39.7 48.6 40.8 39.1 679 31 C V H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.943 111.0 49.5 -66.6 -40.9 48.3 40.3 35.4 680 32 C I H X S+ 0 0 11 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.874 110.8 51.2 -61.8 -37.4 44.5 40.9 35.6 681 33 C S H X S+ 0 0 81 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.920 111.5 46.2 -64.8 -42.6 45.2 44.1 37.6 682 34 C D H X S+ 0 0 41 -4,-2.3 4,-1.7 -10,-0.3 -2,-0.2 0.903 110.8 53.4 -66.4 -41.2 47.7 45.3 34.9 683 35 C L H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 3,-0.3 0.925 108.5 49.8 -60.7 -46.6 45.2 44.4 32.2 684 36 C E H < S+ 0 0 56 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.895 106.0 56.6 -57.4 -39.7 42.6 46.5 33.9 685 37 C A H < S+ 0 0 83 -4,-1.9 3,-0.2 1,-0.2 -1,-0.2 0.858 120.7 29.5 -59.7 -37.4 45.1 49.5 34.2 686 38 C N H < S+ 0 0 98 -4,-1.7 2,-0.3 -3,-0.3 -2,-0.2 0.728 129.4 37.4 -95.1 -21.9 45.5 49.4 30.4 687 39 C Y S >< S- 0 0 42 -4,-2.6 3,-2.0 -5,-0.2 4,-0.3 -0.690 84.7-144.1-139.1 72.6 42.1 48.1 29.3 688 40 C S T 3 S+ 0 0 100 -2,-0.3 -3,-0.1 1,-0.2 -4,-0.1 -0.042 79.5 17.9 -46.5 133.5 39.4 49.5 31.4 689 41 C G T 3> S+ 0 0 26 -5,-0.1 4,-0.8 1,-0.0 -1,-0.2 0.253 90.9 108.2 94.4 -9.9 36.4 47.2 32.2 690 42 C I H X> S+ 0 0 0 -3,-2.0 3,-0.9 1,-0.2 4,-0.8 0.926 72.5 55.1 -71.6 -40.7 38.2 44.0 31.3 691 43 C S H >> S+ 0 0 29 -4,-0.3 4,-1.2 1,-0.3 3,-1.1 0.895 101.5 57.2 -63.2 -39.1 38.6 42.6 34.8 692 44 C E H 34 S+ 0 0 75 1,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.808 103.3 56.0 -58.4 -31.3 34.9 42.8 35.6 693 45 C R H << S+ 0 0 79 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.734 108.6 47.6 -70.9 -23.7 34.3 40.6 32.6 694 46 C L H << S+ 0 0 0 -3,-1.1 10,-3.0 -4,-0.8 2,-0.2 0.686 102.3 75.7 -86.7 -23.6 36.6 37.9 34.0 695 47 C M B < S-G 703 0L 36 -4,-1.2 8,-0.3 8,-0.3 10,-0.1 -0.583 88.7-103.7-100.5 155.2 35.2 37.9 37.5 696 48 C D - 0 0 40 6,-2.9 3,-0.4 3,-0.5 6,-0.3 -0.641 23.7-152.0 -76.1 117.2 32.0 36.4 38.9 697 49 C P S S+ 0 0 114 0, 0.0 -1,-0.2 0, 0.0 6,-0.0 0.763 97.6 40.2 -63.1 -22.6 29.5 39.3 39.5 698 50 C S S S+ 0 0 84 1,-0.2 -2,-0.1 -3,-0.0 6,-0.0 0.600 120.7 41.2-101.3 -19.8 27.9 37.2 42.3 699 51 C S S > S- 0 0 64 -3,-0.4 3,-1.7 3,-0.2 -3,-0.5 -0.674 84.2-157.1-126.0 77.4 31.1 35.7 43.9 700 52 C P T 3 S+ 0 0 114 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.184 76.3 34.8 -56.7 145.7 33.6 38.6 43.9 701 53 C G T 3 S+ 0 0 64 1,-0.3 2,-0.3 -5,-0.1 21,-0.2 0.260 104.1 90.8 91.7 -8.4 37.2 37.5 44.0 702 54 C K S < S- 0 0 44 -3,-1.7 -6,-2.9 -6,-0.3 -1,-0.3 -0.841 82.9-102.0-116.0 151.0 36.5 34.4 41.9 703 55 C L B -G 695 0L 16 -2,-0.3 -8,-0.3 -8,-0.3 -9,-0.1 -0.388 48.3 -91.0 -63.6 150.2 36.6 33.9 38.1 704 56 C H > - 0 0 40 -10,-3.0 3,-2.0 1,-0.1 -8,-0.1 -0.363 35.5-119.1 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