==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-MAY-09 3HMU . COMPND 2 MOLECULE: AMINOTRANSFERASE, CLASS III; . SOURCE 2 ORGANISM_SCIENTIFIC: SILICIBACTER POMEROYI; . AUTHOR R.TORO,J.B.BONANNO,U.RAMAGOPAL,J.FREEMAN,K.T.BAIN,S.MILLER, . 924 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28939.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 681 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 10.5 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 . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 60 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 317 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.7 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 6 2 2 6 0 0 2 4 3 3 0 0 2 0 2 2 0 0 0 0 1 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 5 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 PARALLEL BRIDGES PER LADDER . 7 1 4 6 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 3 1 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 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 4 A I 0 0 71 0, 0.0 2,-0.3 0, 0.0 562,-0.1 0.000 360.0 360.0 360.0 96.5 3.0 48.3 28.0 2 5 A T > - 0 0 78 4,-0.0 3,-1.4 561,-0.0 8,-0.1 -0.892 360.0 -94.3-138.0 165.0 -0.0 46.0 27.6 3 6 A N T 3 S+ 0 0 67 -2,-0.3 4,-0.1 1,-0.2 7,-0.0 0.647 125.3 60.0 -51.0 -15.1 -1.8 43.7 25.1 4 7 A H T 3 S+ 0 0 90 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.678 76.5 102.8 -92.8 -23.3 -3.8 46.9 24.4 5 8 A M S < S- 0 0 42 -3,-1.4 5,-0.1 1,-0.1 0, 0.0 -0.345 90.5 -90.1 -52.4 136.5 -0.9 49.2 23.4 6 9 A P >> - 0 0 75 0, 0.0 4,-2.1 0, 0.0 3,-0.6 -0.244 32.3-116.0 -59.9 146.0 -1.0 49.6 19.5 7 10 A T H 3> S+ 0 0 17 40,-0.3 4,-2.8 1,-0.2 5,-0.2 0.823 112.2 54.5 -46.5 -47.5 1.0 47.0 17.5 8 11 A A H 3> S+ 0 0 71 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.905 110.4 47.6 -58.5 -42.7 3.5 49.6 15.9 9 12 A E H <> S+ 0 0 102 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.896 112.1 48.5 -66.0 -44.9 4.4 50.8 19.4 10 13 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.897 111.6 51.4 -57.8 -44.5 4.9 47.2 20.8 11 14 A Q H X S+ 0 0 55 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.885 108.1 51.2 -61.5 -41.9 7.0 46.5 17.7 12 15 A A H X S+ 0 0 65 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.891 112.0 46.5 -63.3 -42.4 9.2 49.6 18.3 13 16 A L H X S+ 0 0 40 -4,-2.0 4,-1.3 2,-0.2 5,-0.3 0.898 111.9 50.9 -67.7 -40.2 9.8 48.6 22.0 14 17 A D H >X S+ 0 0 5 -4,-2.6 4,-2.8 1,-0.2 3,-0.6 0.958 112.2 46.8 -59.9 -49.0 10.6 45.0 21.0 15 18 A A H 3< S+ 0 0 42 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.864 110.3 55.0 -59.8 -38.7 13.1 46.2 18.4 16 19 A A H 3< S+ 0 0 40 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.801 129.7 4.7 -61.8 -31.6 14.6 48.6 20.9 17 20 A H H << S+ 0 0 34 -4,-1.3 562,-3.0 -3,-0.6 2,-0.6 0.552 102.8 86.8-135.3 -15.5 15.4 46.0 23.6 18 21 A H E < -a 579 0A 7 -4,-2.8 2,-0.6 -5,-0.3 562,-0.2 -0.872 48.7-162.2-111.9 114.6 14.7 42.3 22.7 19 22 A L E -a 580 0A 10 560,-3.2 562,-0.5 -2,-0.6 -4,-0.0 -0.848 22.1-144.7 -90.3 125.2 17.2 40.2 20.9 20 23 A H > - 0 0 1 -2,-0.6 3,-0.6 560,-0.1 5,-0.2 -0.636 13.9-107.0 -93.8 149.7 15.5 37.1 19.4 21 24 A P T 3 S+ 0 0 1 0, 0.0 761,-0.2 0, 0.0 759,-0.1 -0.331 96.7 4.7 -65.6 149.0 16.7 33.6 19.0 22 25 A F T 3 S+ 0 0 51 759,-2.1 2,-0.3 757,-0.7 758,-0.2 0.839 107.6 119.1 46.1 50.5 17.7 32.3 15.6 23 26 A S E < S-H 779 0B 8 756,-0.7 756,-1.5 -3,-0.6 2,-0.9 -0.939 75.2-122.6-143.5 158.1 17.2 35.7 13.9 24 27 A A E > -H 778 0B 21 -2,-0.3 4,-2.5 754,-0.2 754,-0.2 -0.873 39.9-167.5 -96.5 88.9 18.8 38.5 12.0 25 28 A N H > S+ 0 0 15 -2,-0.9 4,-2.4 752,-0.5 -1,-0.1 0.773 74.2 52.3 -64.5 -31.0 17.8 41.0 14.7 26 29 A N H > S+ 0 0 44 749,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.971 116.3 40.6 -67.6 -50.7 18.5 44.4 12.9 27 30 A A H > S+ 0 0 37 748,-0.7 4,-2.3 1,-0.2 -2,-0.2 0.875 114.2 54.4 -63.5 -36.8 16.4 43.4 9.9 28 31 A L H X S+ 0 0 6 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.942 107.0 51.4 -61.5 -45.8 13.8 41.8 12.1 29 32 A G H < S+ 0 0 25 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.848 110.2 47.5 -62.7 -36.8 13.5 45.1 14.1 30 33 A E H < S+ 0 0 162 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.874 113.6 48.3 -74.9 -32.3 12.9 47.1 10.9 31 34 A E H < S- 0 0 111 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.910 113.1-121.6 -65.7 -44.9 10.3 44.7 9.6 32 35 A G < - 0 0 20 -4,-2.7 -3,-0.1 -5,-0.2 -2,-0.1 0.307 19.3-106.0 101.6 124.3 8.4 44.5 12.9 33 36 A T - 0 0 4 -22,-0.2 2,-0.5 -4,-0.1 523,-0.2 -0.376 30.5-111.3 -76.9 160.1 7.8 41.4 14.9 34 37 A R E -i 556 0C 39 521,-2.7 523,-2.4 520,-0.1 2,-0.7 -0.820 31.1-140.3 -92.5 130.6 4.4 39.7 15.1 35 38 A V E -i 557 0C 1 -2,-0.5 12,-1.6 521,-0.2 2,-0.4 -0.823 8.8-156.9-102.5 111.6 3.0 40.0 18.6 36 39 A I E +iJ 558 46C 1 521,-2.8 523,-0.5 -2,-0.7 10,-0.3 -0.705 17.1 171.8 -85.8 127.2 1.1 37.0 20.0 37 40 A T E - 0 0 14 8,-2.6 2,-0.3 -2,-0.4 9,-0.2 0.691 57.4 -1.9-111.7 -27.3 -1.3 38.0 22.7 38 41 A R E - J 0 45C 89 7,-1.2 7,-2.7 2,-0.0 -1,-0.3 -0.991 50.9-155.7-162.5 161.8 -3.4 34.9 23.5 39 42 A A E - J 0 44C 0 507,-1.8 2,-0.3 -2,-0.3 5,-0.2 -0.993 7.6-179.7-147.0 139.2 -3.9 31.3 22.7 40 43 A R E > - J 0 43C 89 3,-2.2 3,-2.4 -2,-0.3 2,-0.3 -0.981 65.6 -38.3-140.8 125.8 -6.9 28.9 23.1 41 44 A G B 3 S-M 66 0D 31 25,-1.2 25,-2.9 -2,-0.3 27,-0.1 -0.413 128.7 -20.5 60.5-115.4 -6.9 25.2 22.1 42 45 A V T 3 S+ 0 0 1 -2,-0.3 12,-2.8 23,-0.2 2,-0.4 0.194 121.0 95.1-106.1 14.1 -4.9 25.1 18.8 43 46 A W E < -JK 40 53C 47 -3,-2.4 -3,-2.2 10,-0.2 2,-0.3 -0.869 50.4-166.6-115.9 138.2 -5.4 28.9 18.0 44 47 A L E -JK 39 52C 0 8,-2.6 8,-3.0 -2,-0.4 2,-0.4 -0.842 9.6-148.6-111.0 157.2 -3.3 32.0 18.6 45 48 A N E -JK 38 51C 22 -7,-2.7 -8,-2.6 -2,-0.3 -7,-1.2 -0.969 8.7-153.6-115.9 144.9 -4.3 35.6 18.3 46 49 A D E > -J 36 0C 11 4,-1.6 3,-1.8 -2,-0.4 -10,-0.2 -0.556 37.3 -97.1-103.3 176.7 -2.0 38.4 17.4 47 50 A S T 3 S+ 0 0 30 -12,-1.6 -40,-0.3 1,-0.3 -11,-0.1 0.537 123.0 59.6 -78.0 -5.8 -2.3 42.0 18.3 48 51 A E T 3 S- 0 0 132 -13,-0.2 -1,-0.3 2,-0.1 -14,-0.0 0.413 120.4-107.6 -93.2 -0.6 -4.0 42.8 15.0 49 52 A G < + 0 0 60 -3,-1.8 -2,-0.1 1,-0.3 2,-0.1 0.485 68.4 149.2 89.8 3.5 -6.8 40.3 15.9 50 53 A E - 0 0 88 1,-0.0 -4,-1.6 -5,-0.0 2,-0.5 -0.428 41.6-139.1 -66.1 144.0 -5.7 37.6 13.4 51 54 A E E -K 45 0C 96 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.957 20.9-161.6-111.8 125.6 -6.5 34.1 14.5 52 55 A I E -K 44 0C 1 -8,-3.0 -8,-2.6 -2,-0.5 2,-0.8 -0.888 19.3-133.7-118.8 128.9 -3.7 31.7 13.7 53 56 A L E -Kl 43 411C 0 357,-2.6 359,-2.5 -2,-0.4 2,-1.9 -0.741 22.9-145.9 -82.6 108.9 -3.8 27.9 13.5 54 57 A D > + 0 0 0 -12,-2.8 3,-1.5 -2,-0.8 -1,-0.1 -0.519 30.1 166.3 -81.0 76.8 -0.7 26.8 15.5 55 58 A A T 3 S+ 0 0 0 -2,-1.9 368,-3.3 1,-0.3 -1,-0.2 0.413 74.8 57.3 -72.8 5.5 0.3 23.7 13.6 56 59 A M T 3> S- 0 0 2 366,-0.2 4,-3.1 357,-0.1 5,-0.4 0.384 101.5-129.5-111.9 -0.9 3.7 23.8 15.4 57 60 A A H <>> - 0 0 0 -3,-1.5 5,-3.0 1,-0.2 4,-2.2 0.932 66.5 -60.9 52.6 53.0 2.3 23.7 19.0 58 61 A G H 45S- 0 0 0 3,-0.2 -1,-0.2 1,-0.2 493,-0.2 -0.629 123.0 -17.4 78.4 -88.0 4.4 26.7 20.1 59 62 A L H 45S- 0 0 12 -2,-1.6 -2,-0.2 491,-0.1 -1,-0.2 -0.499 117.9 -61.6-144.9 71.9 7.7 25.0 19.4 60 63 A W H <5S+ 0 0 13 -4,-3.1 228,-0.4 363,-0.2 -3,-0.2 0.739 126.3 85.4 58.6 23.6 7.0 21.3 19.1 61 64 A C T <5 + 0 0 0 -4,-2.2 2,-2.4 -5,-0.4 3,-0.2 0.684 43.4 91.3-130.9 -21.8 5.9 21.5 22.7 62 65 A V > < + 0 0 0 -5,-3.0 3,-1.2 1,-0.2 364,-0.1 -0.444 48.8 161.0 -84.5 71.7 2.3 22.6 23.6 63 66 A N T 3 + 0 0 0 -2,-2.4 363,-1.1 1,-0.3 364,-0.7 0.803 68.9 42.9 -71.3 -32.3 1.1 19.0 23.6 64 67 A I T 3 S- 0 0 3 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.378 115.7-117.8 -89.8 3.5 -2.1 19.3 25.5 65 68 A G < - 0 0 0 -3,-1.2 3,-0.4 226,-0.1 -1,-0.3 -0.059 38.2 -60.8 80.2 171.5 -3.0 22.5 23.6 66 69 A Y B S+M 41 0D 6 -25,-2.9 -25,-1.2 1,-0.2 -26,-0.1 -0.356 106.2 47.0 -84.8 166.5 -3.4 26.0 24.9 67 70 A G + 0 0 27 477,-0.3 2,-1.4 -28,-0.2 -1,-0.2 0.674 58.5 144.0 79.8 18.8 -6.0 27.1 27.5 68 71 A R >> - 0 0 43 -3,-0.4 3,-2.1 1,-0.2 4,-0.5 -0.626 23.9-178.0 -90.4 85.5 -5.6 24.4 30.1 69 72 A D H 3> + 0 0 73 -2,-1.4 4,-1.9 1,-0.3 3,-0.2 0.633 67.7 81.6 -64.3 -12.7 -6.2 26.5 33.2 70 73 A E H 3> S+ 0 0 65 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.818 90.4 53.0 -55.1 -37.6 -5.7 23.5 35.5 71 74 A L H <> S+ 0 0 0 -3,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.861 105.7 53.0 -69.6 -36.5 -1.9 24.1 35.2 72 75 A A H X S+ 0 0 1 -4,-0.5 4,-2.8 2,-0.2 5,-0.2 0.909 109.8 48.3 -60.4 -43.6 -2.3 27.8 36.2 73 76 A E H X S+ 0 0 86 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.917 113.9 46.5 -63.7 -43.2 -4.1 26.7 39.3 74 77 A V H X S+ 0 0 10 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.910 113.4 49.7 -67.3 -42.4 -1.4 24.2 40.1 75 78 A A H X S+ 0 0 2 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.937 112.5 45.9 -59.4 -50.9 1.4 26.7 39.4 76 79 A A H X S+ 0 0 5 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.910 112.0 51.7 -64.7 -44.0 -0.2 29.4 41.6 77 80 A R H X S+ 0 0 123 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.934 112.4 45.5 -58.8 -47.4 -0.8 26.9 44.4 78 81 A Q H X S+ 0 0 29 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.907 111.9 52.6 -62.6 -39.5 2.8 25.8 44.4 79 82 A M H < S+ 0 0 4 -4,-2.6 453,-0.3 1,-0.2 -1,-0.2 0.837 108.3 49.4 -67.1 -37.1 4.1 29.3 44.2 80 83 A R H < S+ 0 0 111 -4,-2.3 -1,-0.2 2,-0.2 424,-0.2 0.883 120.4 37.8 -63.6 -38.2 2.1 30.5 47.2 81 84 A E H < S- 0 0 57 -4,-1.7 423,-1.8 1,-0.2 -2,-0.2 0.957 141.9 -13.4 -84.3 -56.5 3.4 27.4 49.2 82 85 A L < + 0 0 1 -4,-3.1 -1,-0.2 421,-0.2 -2,-0.2 -0.722 60.1 178.2-149.5 94.4 7.0 27.0 48.1 83 86 A P S S+ 0 0 0 0, 0.0 242,-0.6 0, 0.0 2,-0.3 0.759 71.5 2.0 -75.6 -23.9 8.0 29.0 45.0 84 87 A Y + 0 0 0 240,-0.1 2,-0.3 239,-0.1 674,-0.1 -0.949 56.8 160.1-157.0 138.6 11.6 27.8 45.0 85 88 A Y - 0 0 0 -2,-0.3 2,-0.1 -3,-0.1 8,-0.1 -0.920 35.6-117.5-149.8 150.7 14.0 25.6 46.9 86 89 A N - 0 0 0 -2,-0.3 3,-0.1 437,-0.2 234,-0.1 -0.456 2.3-150.6 -82.5 156.5 17.4 24.2 45.8 87 90 A T S S+ 0 0 0 234,-0.3 3,-0.3 232,-0.2 -1,-0.1 0.095 81.8 83.2-105.1 19.8 18.2 20.5 45.4 88 91 A F S S+ 0 0 23 1,-0.2 2,-0.4 2,-0.1 -1,-0.1 0.725 73.4 64.9 -92.5 -31.1 21.9 21.1 46.2 89 92 A F S S- 0 0 8 -3,-0.1 -1,-0.2 1,-0.1 410,-0.1 -0.158 125.8 -85.0 -93.7 37.5 22.1 21.2 50.0 90 93 A K S S+ 0 0 53 -2,-0.4 409,-2.8 -3,-0.3 2,-0.3 0.884 100.6 124.1 57.3 41.1 21.1 17.5 50.5 91 94 A T E +n 499 0E 0 407,-0.3 2,-0.3 409,-0.1 -1,-0.3 -0.812 37.2 174.6-128.6 160.0 17.6 18.9 50.3 92 95 A T E -n 500 0E 0 407,-2.3 409,-2.6 -2,-0.3 2,-0.3 -0.888 18.0-137.4-151.6-179.8 14.6 18.2 48.1 93 96 A H > - 0 0 0 -2,-0.3 4,-1.8 407,-0.2 3,-0.3 -0.956 30.7-106.5-143.8 161.6 11.0 19.2 47.8 94 97 A V H > S+ 0 0 9 407,-0.5 4,-3.2 -2,-0.3 5,-0.3 0.877 113.8 57.2 -59.7 -43.4 7.8 17.2 47.1 95 98 A P H > S+ 0 0 11 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.907 108.4 47.9 -54.7 -43.2 7.3 18.3 43.4 96 99 A A H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.928 114.3 46.9 -60.8 -48.2 10.8 17.0 42.4 97 100 A I H X S+ 0 0 1 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.951 114.3 46.0 -58.1 -53.2 10.1 13.7 44.2 98 101 A A H X S+ 0 0 9 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.915 115.4 46.7 -59.1 -43.0 6.7 13.3 42.6 99 102 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.3 5,-0.2 0.925 111.1 49.8 -68.0 -45.1 7.9 14.2 39.1 100 103 A A H X S+ 0 0 1 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.912 113.1 48.4 -58.9 -39.0 11.0 12.0 39.2 101 104 A Q H X S+ 0 0 49 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.937 112.3 47.8 -68.5 -46.1 8.8 9.1 40.3 102 105 A K H X S+ 0 0 40 -4,-2.6 4,-1.9 2,-0.2 5,-0.2 0.918 112.0 49.2 -59.2 -45.9 6.2 9.7 37.6 103 106 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.916 110.2 51.6 -60.5 -43.6 8.9 10.0 34.8 104 107 A A H < S+ 0 0 4 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.913 109.2 51.5 -56.9 -43.4 10.5 6.7 36.1 105 108 A E H < S+ 0 0 105 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.859 115.0 40.2 -61.6 -41.4 7.1 5.0 35.9 106 109 A L H < S+ 0 0 13 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.756 97.8 90.4 -81.2 -28.8 6.4 6.2 32.2 107 110 A A S < S- 0 0 8 -4,-2.2 2,-0.0 -5,-0.2 4,-0.0 -0.392 82.2-115.1 -67.5 144.9 10.0 5.6 31.0 108 111 A P > - 0 0 37 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.325 68.2 -9.9 -80.3 167.1 10.7 2.1 29.6 109 112 A G T 3 S- 0 0 72 1,-0.2 -2,-0.0 193,-0.1 170,-0.0 -0.078 125.1 -22.1 52.8-138.2 13.0 -0.6 31.0 110 113 A D T 3 S+ 0 0 79 2,-0.0 193,-1.5 1,-0.0 2,-1.4 0.015 89.3 129.5-101.5 30.2 15.3 0.4 33.8 111 114 A L E < +O 302 0F 5 -3,-1.6 191,-0.3 191,-0.2 -4,-0.2 -0.700 28.1 141.5 -80.5 90.0 15.3 4.1 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165 A A H < S+ 0 0 0 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.896 105.8 49.8 -58.3 -40.1 28.4 20.7 18.9 163 166 A L H < S+ 0 0 0 -4,-1.7 -14,-0.5 2,-0.1 -1,-0.2 0.847 99.8 80.3 -67.6 -38.4 26.3 17.5 19.1 164 167 A G S < S- 0 0 1 -4,-1.8 -11,-0.3 -9,-0.2 -14,-0.1 -0.179 82.2-133.3 -60.3 166.7 23.8 19.0 16.6 165 168 A G + 0 0 15 -13,-2.9 -14,-2.0 -15,-0.1 2,-0.6 -0.154 58.5 126.5-122.9 37.1 24.8 18.8 13.0 166 169 A M >> - 0 0 39 -5,-0.4 4,-2.4 -16,-0.2 3,-0.6 -0.890 45.4-157.9-105.4 110.8 24.1 22.4 11.7 167 170 A A H 3> S+ 0 0 81 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.838 92.8 56.8 -51.7 -39.9 27.0 24.1 10.0 168 171 A G H 3> S+ 0 0 37 1,-0.2 4,-0.6 2,-0.2 612,-0.2 0.871 110.9 44.6 -67.4 -34.7 25.7 27.6 10.7 169 172 A M H X4 S+ 0 0 7 -3,-0.6 3,-1.3 2,-0.2 5,-0.3 0.945 111.2 52.0 -71.3 -47.9 25.6 26.8 14.4 170 173 A H H 3X S+ 0 0 37 -4,-2.4 4,-1.8 1,-0.3 5,-0.4 0.896 104.0 58.4 -57.3 -42.4 29.0 25.2 14.5 171 174 A A H 3< S+ 0 0 64 -4,-2.5 2,-0.9 1,-0.3 -1,-0.3 0.751 98.2 63.3 -58.9 -25.4 30.6 28.3 12.7 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135.2-102.6 35.6 24.1 51.6 27.2 576 114 B L E < + B 0 767A 3 -3,-1.5 191,-0.3 191,-0.2 -4,-0.2 -0.692 25.4 141.3 -79.8 88.5 23.2 48.1 28.3 577 115 B N E + 0 0 43 -2,-1.6 2,-0.3 189,-1.0 -8,-0.2 0.385 39.6 70.4-121.3 -2.0 19.9 48.3 26.4 578 116 B H E - B 0 766A 33 188,-1.7 188,-3.5 -3,-0.2 2,-0.4 -0.953 57.7-155.7-128.4 146.1 19.3 44.9 24.8 579 117 B V E -aB 18 765A 0 -562,-3.0 -560,-3.2 -2,-0.3 2,-0.5 -0.965 11.0-167.3-128.2 130.1 18.4 41.5 26.2 580 118 B F E -aB 19 764A 1 184,-2.3 184,-2.2 -2,-0.4 2,-0.2 -0.976 29.9-141.8-106.8 119.4 18.9 37.9 25.0 581 119 B F E + B 0 763A 2 -562,-0.5 202,-0.4 -2,-0.5 182,-0.3 -0.568 27.5 163.3 -86.8 151.4 16.8 35.6 27.2 582 120 B A E - B 0 762A 1 180,-2.6 180,-2.3 -2,-0.2 205,-0.3 -0.791 49.1 -96.4-148.4-173.5 17.7 32.2 28.4 583 121 B G S S- 0 0 6 178,-0.3 2,-0.3 -2,-0.2 180,-0.1 0.707 90.7 -37.7 -86.8 -20.1 16.6 29.6 31.1 584 122 B G S > S- 0 0 5 176,-0.2 4,-1.6 177,-0.1 178,-0.2 -0.938 80.0 -58.4 178.4-167.5 19.2 30.6 33.7 585 123 B G H > S+ 0 0 14 -2,-0.3 4,-2.0 2,-0.2 5,-0.2 0.879 123.5 50.8 -72.7 -41.9 22.8 31.6 34.3 586 124 B S H > S+ 0 0 9 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.960 113.8 45.9 -58.9 -52.8 24.7 28.7 32.7 587 125 B E H > S+ 0 0 6 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.826 111.8 52.4 -57.9 -36.3 22.6 29.0 29.5 588 126 B A H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.828 107.0 51.6 -71.7 -34.5 23.1 32.8 29.4 589 127 B N H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.865 107.0 54.3 -73.0 -30.5 26.9 32.3 29.7 590 128 B D H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.943 107.1 50.9 -63.6 -43.7 26.7 30.0 26.8 591 129 B T H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.918 109.7 51.3 -50.9 -47.7 24.9 32.8 24.9 592 130 B N H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.917 108.7 49.1 -60.8 -44.9 27.8 35.1 25.9 593 131 B I H X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 5,-0.2 0.952 117.0 42.3 -60.3 -48.6 30.5 32.8 24.6 594 132 B R H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.872 116.2 49.4 -66.3 -37.9 28.7 32.4 21.3 595 133 B M H X S+ 0 0 0 -4,-2.8 4,-3.2 -5,-0.2 -2,-0.2 0.903 109.9 47.3 -72.8 -43.6 27.8 36.1 21.1 596 134 B V H X S+ 0 0 0 -4,-3.2 4,-2.0 2,-0.2 -1,-0.2 0.901 116.2 45.4 -67.5 -39.2 31.3 37.6 21.8 597 135 B R H X S+ 0 0 22 -4,-1.8 4,-1.8 -5,-0.3 -2,-0.2 0.926 115.3 46.8 -70.1 -43.3 32.9 35.2 19.3 598 136 B T H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.918 108.4 58.0 -59.9 -41.4 30.2 35.9 16.7 599 137 B Y H X S+ 0 0 12 -4,-3.2 4,-1.2 1,-0.2 -2,-0.2 0.935 107.0 46.3 -52.4 -49.9 30.6 39.6 17.4 600 138 B W H <>S+ 0 0 4 -4,-2.0 5,-3.1 1,-0.2 -1,-0.2 0.870 110.8 52.4 -69.8 -31.8 34.3 39.5 16.5 601 139 B Q H ><5S+ 0 0 71 -4,-1.8 3,-1.5 1,-0.2 -1,-0.2 0.916 109.2 49.8 -61.6 -44.8 33.6 37.5 13.3 602 140 B N H 3<5S+ 0 0 46 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.740 107.4 55.1 -70.1 -21.9 31.0 40.0 12.2 603 141 B K T 3<5S- 0 0 91 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.458 124.4-104.4 -84.7 -3.1 33.6 42.8 12.9 604 142 B G T < 5S+ 0 0 58 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.647 94.0 108.3 88.6 16.4 36.1 41.0 10.5 605 143 B Q > < + 0 0 67 -5,-3.1 3,-1.9 -6,-0.2 -4,-0.1 -0.539 29.6 161.4-124.4 64.2 38.3 39.6 13.3 606 144 B P T 3 S+ 0 0 90 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 0.640 70.0 69.1 -62.2 -12.9 37.6 35.8 13.2 607 145 B E T 3 S+ 0 0 114 -7,-0.1 2,-1.3 -3,-0.1 3,-0.3 0.720 73.8 92.7 -73.9 -25.7 40.9 35.2 15.1 608 146 B K < + 0 0 3 -3,-1.9 76,-0.2 1,-0.2 -8,-0.2 -0.629 46.2 122.6 -75.1 98.6 39.6 36.8 18.3 609 147 B T + 0 0 32 74,-1.7 2,-0.2 -2,-1.3 75,-0.2 0.506 29.9 111.1-129.6 -16.0 38.3 33.8 20.2 610 148 B V E -c 684 0A 2 73,-2.8 75,-3.1 -3,-0.3 76,-1.7 -0.483 46.7-159.6 -77.4 133.2 40.0 33.5 23.5 611 149 B I E -cd 686 644A 1 32,-2.4 34,-2.4 -2,-0.2 2,-0.4 -0.953 7.4-151.6-110.8 124.7 38.0 34.1 26.7 612 150 B I E +cd 687 645A 0 74,-2.8 76,-2.9 -2,-0.5 34,-0.2 -0.820 28.1 151.8 -97.3 134.5 39.9 35.0 29.8 613 151 B S E - d 0 646A 0 32,-2.8 34,-2.5 -2,-0.4 2,-0.3 -0.592 35.4 -94.0-140.5-156.9 38.4 34.1 33.1 614 152 B R E > - d 0 647A 3 14,-0.5 3,-1.6 32,-0.3 34,-0.2 -0.946 26.8-101.5-137.9 149.4 39.8 33.3 36.6 615 153 B K T 3 S+ 0 0 101 32,-2.7 16,-0.1 -2,-0.3 3,-0.1 -0.412 111.9 19.6 -59.4 141.5 40.8 30.4 38.9 616 154 B N T 3 S+ 0 0 33 14,-1.9 -1,-0.3 1,-0.2 2,-0.1 0.593 93.8 137.4 65.3 14.6 38.0 29.8 41.4 617 155 B A < - 0 0 0 -3,-1.6 13,-3.0 11,-0.2 2,-0.4 -0.477 42.4-151.0 -73.8 159.5 35.4 31.6 39.2 618 156 B Y + 0 0 50 11,-0.3 76,-0.2 -2,-0.1 77,-0.1 -0.975 28.1 157.4-135.0 122.5 31.9 30.1 38.8 619 157 B H - 0 0 3 1,-0.5 2,-0.3 6,-0.4 -30,-0.2 0.310 61.4 -72.2-128.6 4.0 30.0 30.8 35.6 620 158 B G - 0 0 4 5,-0.1 -1,-0.5 1,-0.1 9,-0.2 -0.778 44.6 -86.4 131.8-165.4 27.5 27.9 35.5 621 159 B S S S+ 0 0 0 -2,-0.3 -304,-0.2 4,-0.1 -1,-0.1 0.201 76.3 108.8-136.1 11.6 27.4 24.2 34.8 622 160 B T S > S- 0 0 0 1,-0.1 4,-2.9 -306,-0.1 5,-0.2 -0.320 87.3 -98.1 -71.9 172.2 27.1 23.6 31.0 623 161 B V H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.955 126.2 39.7 -58.5 -47.4 30.2 22.1 29.5 624 162 B A H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.849 116.2 49.7 -75.0 -34.9 31.3 25.6 28.2 625 163 B S H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -6,-0.4 0.867 109.0 52.3 -71.1 -39.0 30.2 27.4 31.3 626 164 B S H < S+ 0 0 1 -4,-2.9 5,-0.4 2,-0.2 -2,-0.2 0.880 107.6 55.1 -54.5 -40.5 32.1 24.9 33.5 627 165 B A H < S+ 0 0 2 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.913 106.4 48.5 -65.3 -44.5 35.1 25.7 31.2 628 166 B L H < S+ 0 0 1 -4,-1.9 -14,-0.5 2,-0.1 -1,-0.2 0.876 101.7 79.5 -57.8 -38.8 34.8 29.5 32.0 629 167 B G S < S- 0 0 2 -4,-1.8 -11,-0.3 -9,-0.2 -16,-0.1 -0.118 82.3-131.7 -67.0 167.7 34.6 28.7 35.7 630 168 B G + 0 0 15 -13,-3.0 -14,-1.9 -15,-0.1 2,-0.8 -0.098 59.8 128.1-116.3 38.6 37.8 28.0 37.6 631 169 B M >> - 0 0 39 -5,-0.4 4,-2.3 1,-0.2 3,-1.2 -0.833 43.1-161.3-102.8 106.2 36.7 24.8 39.5 632 170 B A H 3> S+ 0 0 78 -2,-0.8 4,-2.5 1,-0.3 -1,-0.2 0.832 91.6 57.4 -49.7 -42.8 39.3 22.0 38.9 633 171 B G H 34 S+ 0 0 40 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.836 110.7 44.4 -63.3 -30.5 36.7 19.3 40.0 634 172 B M H X4 S+ 0 0 6 -3,-1.2 3,-1.3 2,-0.2 5,-0.2 0.905 109.8 54.0 -78.3 -44.1 34.3 20.6 37.3 635 173 B H H 3X S+ 0 0 36 -4,-2.3 4,-1.8 1,-0.3 3,-0.3 0.908 103.8 57.1 -52.8 -43.7 37.1 20.8 34.6 636 174 B A T 3< S+ 0 0 64 -4,-2.5 2,-0.5 1,-0.2 -1,-0.3 0.627 100.1 61.5 -66.6 -14.7 38.0 17.1 35.3 637 175 B Q T <4 S- 0 0 18 -3,-1.3 -1,-0.2 -4,-0.3 -504,-0.1 -0.592 137.6 -69.4-111.4 67.3 34.3 16.0 34.5 638 176 B S T 4 S+ 0 0 14 -2,-0.5 -2,-0.2 -3,-0.3 -3,-0.2 0.885 94.4 135.6 50.4 44.9 34.1 17.2 30.9 639 177 B G < + 0 0 0 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.1 -0.213 41.2 95.9-109.8 41.1 34.2 20.9 31.9 640 178 B L + 0 0 110 -5,-0.1 -13,-0.1 -6,-0.1 -15,-0.1 -0.979 38.1 170.3-133.8 147.0 36.7 22.1 29.2 641 179 B I - 0 0 17 -2,-0.3 3,-0.3 -17,-0.1 -465,-0.1 -0.959 42.5 -89.4-144.2 152.4 36.5 23.8 25.8 642 180 B P S S+ 0 0 66 0, 0.0 3,-0.1 0, 0.0 -15,-0.0 -0.190 99.4 30.5 -58.4 153.6 39.4 25.3 23.7 643 181 B D S S+ 0 0 64 1,-0.2 -32,-2.4 -33,-0.1 2,-0.4 0.859 79.8 122.6 65.9 40.0 40.4 29.0 23.9 644 182 B V E -d 611 0A 28 -3,-0.3 2,-0.4 -34,-0.2 -1,-0.2 -0.992 38.3-171.5-123.1 134.4 39.6 29.7 27.6 645 183 B H E -d 612 0A 68 -34,-2.4 -32,-2.8 -2,-0.4 2,-0.5 -0.973 9.4-147.3-127.5 141.8 42.5 31.0 29.7 646 184 B H E -d 613 0A 40 -2,-0.4 -32,-0.3 -34,-0.2 2,-0.2 -0.939 9.8-169.8-116.3 128.8 42.5 31.5 33.5 647 185 B I E -d 614 0A 6 -34,-2.5 -32,-2.7 -2,-0.5 21,-0.1 -0.557 42.0 -72.7-101.0 178.2 44.3 34.1 35.5 648 186 B N - 0 0 46 -34,-0.2 -1,-0.1 -2,-0.2 23,-0.1 -0.295 43.2-117.5 -71.3 150.3 44.6 34.2 39.3 649 187 B Q - 0 0 11 -35,-0.1 2,-1.6 2,-0.1 -1,-0.1 -0.638 22.9-121.1 -80.0 144.9 41.8 35.1 41.7 650 188 B P + 0 0 0 0, 0.0 2,-0.9 0, 0.0 55,-0.1 -0.406 58.4 145.1 -82.6 59.7 42.3 38.1 43.9 651 189 B N > + 0 0 12 -2,-1.6 4,-2.4 1,-0.2 5,-0.2 -0.835 22.4 179.3 -98.2 95.0 41.8 36.2 47.2 652 190 B W H > S+ 0 0 64 -2,-0.9 4,-2.7 48,-0.3 5,-0.3 0.928 74.7 57.9 -64.7 -45.7 44.3 38.0 49.5 653 191 B W H 4 S+ 0 0 29 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.910 120.6 26.8 -50.3 -49.0 43.6 35.9 52.6 654 192 B A H 4 S+ 0 0 30 1,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.815 138.9 19.5 -85.7 -33.5 44.5 32.6 50.9 655 193 B E H < S+ 0 0 68 -4,-2.4 -3,-0.2 1,-0.1 -2,-0.2 0.336 93.3 91.8-125.7 4.3 47.0 33.8 48.2 656 194 B G >< - 0 0 2 -4,-2.7 3,-1.7 -5,-0.2 -3,-0.1 0.611 59.2-170.8 -82.4 -11.8 48.4 37.2 49.1 657 195 B G T 3 - 0 0 43 -5,-0.3 -1,-0.2 1,-0.2 -2,-0.0 -0.322 68.0 -30.3 53.4-129.9 51.5 36.1 51.1 658 196 B D T 3 S+ 0 0 172 2,-0.1 -1,-0.2 -2,-0.0 -2,-0.1 0.345 106.0 123.5-100.7 3.1 53.1 39.1 52.8 659 197 B M S < S- 0 0 82 -3,-1.7 -3,-0.1 1,-0.1 3,-0.0 -0.265 73.6-103.7 -56.9 147.4 52.0 41.6 50.1 660 198 B D > - 0 0 90 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.562 33.2-120.5 -62.8 136.0 49.9 44.6 51.1 661 199 B P H > S+ 0 0 48 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.900 112.1 48.9 -53.6 -43.2 46.2 43.8 50.1 662 200 B E H > S+ 0 0 70 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.879 112.1 47.2 -66.8 -38.7 46.1 46.9 47.8 663 201 B E H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.884 111.7 52.8 -66.0 -37.0 49.4 46.0 46.0 664 202 B F H X S+ 0 0 3 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.933 105.7 53.6 -61.1 -48.1 48.1 42.4 45.7 665 203 B G H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 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31.8 67.0 907 445 B K H X S+ 0 0 98 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.938 112.8 47.2 -64.1 -45.3 26.1 28.6 68.5 908 446 B S H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.883 112.3 49.2 -63.2 -42.4 27.2 26.7 65.3 909 447 B L H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.875 112.0 49.5 -63.6 -40.5 30.7 28.2 65.4 910 448 B D H X S+ 0 0 81 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.943 115.0 43.0 -63.3 -50.5 31.1 27.3 69.1 911 449 B E H X S+ 0 0 57 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.855 113.3 52.8 -62.6 -41.5 29.9 23.7 68.6 912 450 B A H X S+ 0 0 0 -4,-2.7 4,-3.0 -5,-0.2 -2,-0.2 0.940 108.2 50.6 -59.7 -48.0 32.1 23.4 65.4 913 451 B Q H X S+ 0 0 34 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.902 109.5 50.7 -59.4 -41.9 35.2 24.6 67.3 914 452 B A H X S+ 0 0 45 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.900 112.8 46.5 -62.7 -41.7 34.6 22.0 70.1 915 453 B E H X S+ 0 0 62 -4,-2.0 4,-2.4 2,-0.2 6,-0.2 0.924 112.0 50.6 -64.4 -44.8 34.2 19.2 67.5 916 454 B I H <>S+ 0 0 0 -4,-3.0 5,-2.6 1,-0.2 6,-0.6 0.933 113.5 44.9 -61.1 -46.4 37.3 20.4 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