==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-MAY-04 1TD2 . COMPND 2 MOLECULE: PYRIDOXAMINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.K.SAFO,F.N.MUSAYEV,S.HUNT,M.DI SALVO,N.SCARSDALE,V.SCHIRCH . 574 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21484.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 406 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 6.8 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 . 2 0.3 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 . 41 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 2 2 0 2 2 0 2 0 1 3 2 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 0 4 0 1 0 1 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 2 4 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 0 1 1 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 M 0 0 200 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.0 21.7 12.5 6.4 2 2 A M - 0 0 43 1,-0.1 2,-0.3 29,-0.1 29,-0.1 -0.310 360.0-111.2 -59.2 148.4 19.5 11.5 9.3 3 3 A K - 0 0 54 27,-0.4 29,-3.2 229,-0.1 2,-0.5 -0.607 25.2-148.5 -90.2 142.8 21.2 8.8 11.4 4 4 A N E -a 32 0A 21 71,-0.3 73,-2.6 -2,-0.3 74,-1.1 -0.937 11.4-171.7-116.1 129.5 19.9 5.3 11.6 5 5 A I E -ab 33 78A 0 27,-1.7 29,-3.0 -2,-0.5 2,-0.9 -0.962 17.6-151.4-124.5 122.6 20.2 3.0 14.6 6 6 A L E -ab 34 79A 0 72,-3.2 74,-3.4 -2,-0.5 2,-0.6 -0.814 25.2-167.2 -89.3 106.4 19.3 -0.7 14.7 7 7 A A E -ab 35 80A 0 27,-1.6 29,-1.7 -2,-0.9 2,-0.8 -0.881 8.8-169.7-106.1 111.5 18.3 -1.0 18.4 8 8 A I E +ab 36 81A 0 72,-3.9 74,-1.8 -2,-0.6 2,-0.3 -0.839 42.2 95.2-103.9 99.0 18.0 -4.6 19.8 9 9 A Q E S-a 37 0A 1 -2,-0.8 29,-1.5 27,-0.6 30,-0.4 -0.919 70.4 -42.5-166.1-179.5 16.4 -4.6 23.2 10 10 A S E - 0 0 8 73,-0.3 9,-2.6 -2,-0.3 10,-0.7 0.023 34.7-154.1 -60.7 161.2 13.0 -5.1 24.9 11 11 A H E -a 40 0A 11 28,-0.7 30,-2.6 8,-0.2 2,-0.4 -1.000 6.5-168.9-135.1 130.4 9.6 -3.8 24.2 12 12 A V E -a 41 0A 4 -2,-0.4 30,-0.2 5,-0.4 5,-0.1 -0.969 14.7-151.2-119.9 136.9 6.9 -3.3 26.8 13 13 A V S S+ 0 0 1 28,-2.8 2,-0.4 -2,-0.4 29,-0.2 0.921 88.9 37.5 -75.4 -45.8 3.3 -2.6 25.7 14 14 A Y S S- 0 0 16 28,-2.2 30,-0.2 27,-0.3 -1,-0.1 -0.887 119.3 -0.3-104.0 138.9 2.4 -0.6 28.8 15 15 A G S S- 0 0 8 -2,-0.4 2,-0.4 28,-0.1 -3,-0.2 -0.199 87.0 -67.1 86.2-173.6 5.1 1.6 30.3 16 16 A H + 0 0 12 204,-0.1 250,-0.3 -5,-0.1 2,-0.2 -0.985 61.1 117.6-132.3 133.3 8.7 2.4 29.3 17 17 A A S > S- 0 0 7 -2,-0.4 3,-1.7 -7,-0.1 -5,-0.4 -0.809 70.4 -1.4 177.5 145.6 11.8 0.3 29.3 18 18 A G T >> S- 0 0 0 1,-0.3 4,-2.3 -2,-0.2 3,-1.7 -0.394 136.8 -9.2 62.6-138.2 14.2 -0.9 26.6 19 19 A N H 3> S+ 0 0 4 -9,-2.6 4,-2.4 1,-0.3 5,-0.3 0.774 135.4 65.1 -60.6 -27.7 13.1 0.3 23.2 20 20 A S H <4 S+ 0 0 2 -3,-1.7 -1,-0.3 -10,-0.7 -2,-0.2 0.652 111.8 34.2 -72.3 -12.2 9.9 1.4 24.8 21 21 A A H <4 S+ 0 0 0 -3,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.720 126.0 38.5-106.2 -36.0 11.8 4.0 26.8 22 22 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.1 5,-0.2 0.827 100.4 69.3 -88.4 -33.7 14.6 4.9 24.3 23 23 A E H X S+ 0 0 10 -4,-2.4 4,-2.0 -5,-0.2 5,-0.2 0.897 99.5 45.8 -53.9 -53.2 12.8 4.9 21.0 24 24 A F H > S+ 0 0 0 -5,-0.3 4,-2.6 1,-0.2 5,-0.2 0.955 114.2 47.0 -60.6 -52.1 10.6 8.0 21.4 25 25 A P H > S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.876 112.4 51.9 -57.5 -36.3 13.4 10.2 22.9 26 26 A M H <>S+ 0 0 0 -4,-2.0 5,-1.9 2,-0.2 -2,-0.2 0.867 113.0 42.7 -67.0 -40.3 15.8 9.2 20.2 27 27 A R H ><5S+ 0 0 4 -4,-2.0 3,-2.3 3,-0.2 -1,-0.2 0.852 108.0 61.9 -73.8 -34.2 13.5 10.0 17.4 28 28 A R H 3<5S+ 0 0 23 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.799 102.1 52.4 -59.2 -33.0 12.5 13.2 19.2 29 29 A L T 3<5S- 0 0 23 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.295 130.2 -96.8 -87.2 7.1 16.1 14.2 18.8 30 30 A G T < 5S+ 0 0 25 -3,-2.3 -27,-0.4 1,-0.3 2,-0.3 0.689 82.3 121.6 91.4 17.8 16.0 13.6 15.1 31 31 A A < - 0 0 0 -5,-1.9 2,-0.3 -29,-0.1 -1,-0.3 -0.807 57.7-123.1-111.8 157.1 17.4 10.1 14.6 32 32 A N E -a 4 0A 18 -29,-3.2 -27,-1.7 -2,-0.3 2,-0.4 -0.749 23.0-161.0 -93.5 145.8 15.7 7.1 13.1 33 33 A V E -a 5 0A 2 -2,-0.3 -27,-0.2 -29,-0.2 -29,-0.1 -0.994 11.3-159.6-131.6 125.8 15.4 3.9 15.2 34 34 A W E -a 6 0A 11 -29,-3.0 -27,-1.6 -2,-0.4 2,-0.9 -0.862 23.0-149.5-100.0 101.8 14.8 0.5 13.7 35 35 A P E -a 7 0A 7 0, 0.0 2,-1.1 0, 0.0 -27,-0.2 -0.591 20.0-178.0 -86.4 110.5 13.4 -1.3 16.7 36 36 A L E -a 8 0A 0 -29,-1.7 -27,-0.6 -2,-0.9 2,-0.3 -0.801 25.2-148.4 -99.7 88.7 14.2 -5.0 16.7 37 37 A N E -a 9 0A 4 -2,-1.1 -27,-0.3 -29,-0.2 -29,-0.1 -0.420 14.1-159.3 -65.9 123.0 12.4 -6.0 20.0 38 38 A T E S+ 0 0 0 -29,-1.5 17,-2.7 -2,-0.3 2,-0.3 0.632 78.5 0.1 -78.0 -13.5 14.0 -8.9 21.9 39 39 A V E - C 0 54A 0 -30,-0.4 -28,-0.7 15,-0.3 2,-0.4 -0.956 60.7-135.6-161.4 164.0 10.7 -9.5 23.7 40 40 A Q E +aC 11 53A 4 13,-2.6 13,-2.2 -2,-0.3 2,-0.3 -0.910 36.4 173.3-130.7 102.2 7.1 -8.2 23.9 41 41 A F E -aC 12 52A 16 -30,-2.6 -28,-2.8 -2,-0.4 -27,-0.3 -0.817 40.9-127.4-110.9 151.8 6.1 -7.9 27.5 42 42 A S S S- 0 0 0 9,-2.2 -28,-2.2 -2,-0.3 2,-0.3 0.865 91.2 -17.7 -62.3 -39.8 3.0 -6.4 29.1 43 43 A N S S- 0 0 0 8,-0.4 -1,-0.1 -30,-0.2 -28,-0.1 -0.905 90.8 -67.8-155.3 176.9 5.1 -4.3 31.4 44 44 A H > - 0 0 6 -2,-0.3 3,-1.6 -30,-0.2 5,-0.3 -0.358 47.0-110.9 -75.9 154.0 8.7 -4.1 32.6 45 45 A T G > S+ 0 0 9 1,-0.3 3,-1.4 2,-0.1 -1,-0.1 0.641 104.6 77.0 -62.3 -13.8 10.0 -6.9 35.0 46 46 A Q G 3 S+ 0 0 69 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.518 74.9 75.1 -80.5 2.6 10.3 -4.7 38.0 47 47 A Y G < S- 0 0 53 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.1 0.518 111.0-119.9 -80.6 -7.9 6.5 -4.8 38.7 48 48 A G S < S+ 0 0 65 -3,-1.4 2,-0.3 -4,-0.2 -2,-0.1 0.279 87.8 55.0 86.9 -11.3 7.4 -8.2 39.9 49 49 A K + 0 0 107 -5,-0.3 2,-0.3 305,-0.0 -2,-0.2 -0.995 55.7 146.6-153.2 151.9 5.1 -9.7 37.3 50 50 A W - 0 0 88 -2,-0.3 2,-0.3 -8,-0.1 -6,-0.1 -0.974 24.2-143.6-172.8 164.7 4.5 -9.6 33.6 51 51 A T + 0 0 40 -2,-0.3 -9,-2.2 300,-0.2 -8,-0.4 -0.757 48.9 79.5-130.1-179.3 3.3 -11.6 30.6 52 52 A G E -C 41 0A 24 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.778 66.2 -77.5 116.7-161.2 4.3 -11.8 27.0 53 53 A C E -C 40 0A 40 -13,-2.2 -13,-2.6 -2,-0.3 2,-0.3 -0.930 18.2-119.4-145.3 165.5 7.1 -13.5 25.2 54 54 A V E -C 39 0A 61 -2,-0.3 -15,-0.3 -15,-0.2 -16,-0.1 -0.759 37.8-119.6 -97.3 146.7 10.8 -13.6 24.3 55 55 A M - 0 0 7 -17,-2.7 30,-0.1 -2,-0.3 5,-0.1 -0.711 34.9-106.9 -86.3 138.8 11.7 -13.5 20.6 56 56 A P >> - 0 0 69 0, 0.0 3,-1.5 0, 0.0 4,-1.1 -0.411 24.2-119.4 -67.3 142.3 13.6 -16.5 19.5 57 57 A P H >> S+ 0 0 24 0, 0.0 4,-1.3 0, 0.0 3,-1.0 0.905 115.6 54.5 -44.7 -49.8 17.3 -15.9 18.8 58 58 A S H 3> S+ 0 0 69 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.827 99.1 64.4 -56.7 -30.9 16.9 -17.0 15.2 59 59 A H H <> S+ 0 0 5 -3,-1.5 4,-2.1 1,-0.2 -1,-0.3 0.891 99.0 52.8 -58.2 -42.6 14.0 -14.4 14.8 60 60 A L H S+ 0 0 0 -4,-1.7 5,-2.4 1,-0.2 6,-0.6 0.862 112.6 51.7 -67.7 -34.5 16.6 -5.7 5.8 68 68 A A H ><5S+ 0 0 29 -4,-2.6 3,-2.7 1,-0.2 -2,-0.2 0.938 102.8 60.6 -63.5 -47.2 19.6 -7.0 3.8 69 69 A A H 3<5S+ 0 0 44 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.819 106.5 44.8 -49.2 -39.3 17.2 -8.5 1.2 70 70 A I T 3<5S- 0 0 16 -4,-1.3 -1,-0.3 -3,-0.1 -2,-0.2 0.332 118.0-115.2 -91.6 10.6 15.8 -5.0 0.5 71 71 A D T < 5S+ 0 0 117 -3,-2.7 -3,-0.2 -5,-0.1 -2,-0.1 0.889 82.1 116.7 62.2 45.9 19.3 -3.6 0.4 72 72 A K > < + 0 0 61 -5,-2.4 3,-2.7 2,-0.1 4,-0.4 0.608 40.7 91.0-117.0 -14.6 19.0 -1.4 3.4 73 73 A L G > S+ 0 0 8 -6,-0.6 3,-2.3 1,-0.3 -5,-0.1 0.845 80.2 64.9 -49.2 -39.5 21.5 -2.7 5.9 74 74 A H G 3 S+ 0 0 106 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.685 93.7 60.9 -63.4 -15.1 24.2 -0.5 4.5 75 75 A T G < S+ 0 0 35 -3,-2.7 -71,-0.3 -72,-0.0 -1,-0.3 0.608 78.9 108.3 -85.5 -9.6 22.2 2.6 5.7 76 76 A C < - 0 0 0 -3,-2.3 -71,-0.2 -4,-0.4 3,-0.1 -0.505 46.5-174.7 -68.9 130.4 22.4 1.3 9.3 77 77 A D + 0 0 41 -73,-2.6 31,-1.9 1,-0.3 2,-0.3 0.691 64.4 3.8 -99.2 -21.3 24.8 3.6 11.3 78 78 A A E -bd 5 108A 0 -74,-1.1 -72,-3.2 29,-0.3 2,-0.5 -0.988 55.2-139.6-162.0 151.2 24.9 1.7 14.5 79 79 A V E -bd 6 109A 2 29,-2.9 31,-3.1 -2,-0.3 2,-0.4 -0.973 24.1-168.5-112.5 126.4 23.7 -1.4 16.2 80 80 A L E -bd 7 110A 2 -74,-3.4 -72,-3.9 -2,-0.5 2,-0.4 -0.965 3.3-173.0-118.1 131.8 22.6 -0.9 19.8 81 81 A S E +bd 8 111A 0 29,-1.9 31,-2.2 -2,-0.4 -72,-0.2 -0.942 16.6 147.6-121.6 149.0 21.8 -3.8 22.2 82 82 A G + 0 0 0 -74,-1.8 2,-0.2 -2,-0.4 -73,-0.1 -0.161 58.5 20.0-139.9-121.8 20.4 -3.5 25.7 83 83 A Y - 0 0 21 -2,-0.1 2,-0.4 30,-0.1 -73,-0.3 -0.419 68.9-158.4 -62.5 124.0 18.1 -5.9 27.6 84 84 A L - 0 0 1 30,-0.3 41,-0.6 -2,-0.2 44,-0.1 -0.839 17.6-144.9-106.8 141.6 18.3 -9.4 26.1 85 85 A G S S+ 0 0 12 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.731 81.7 2.6 -76.5 -21.4 15.6 -12.0 26.5 86 86 A S S > S- 0 0 29 1,-0.1 4,-0.6 39,-0.1 3,-0.5 -0.978 71.7-106.7-157.8 167.9 18.1 -14.8 26.6 87 87 A A H >> S+ 0 0 37 39,-0.4 3,-1.0 -2,-0.3 4,-0.8 0.896 114.3 56.0 -68.4 -40.5 21.7 -15.7 26.5 88 88 A E H 3> S+ 0 0 119 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.719 92.6 70.3 -68.8 -16.2 21.7 -17.1 22.9 89 89 A Q H 3> S+ 0 0 0 -3,-0.5 4,-2.6 1,-0.2 -1,-0.3 0.883 92.0 62.3 -65.5 -32.7 20.2 -13.8 21.6 90 90 A G H X S+ 0 0 43 -4,-1.6 4,-2.2 1,-0.2 3,-0.5 0.920 106.7 56.9 -64.0 -39.3 22.9 -13.8 17.1 93 93 A I H 3X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.3 -1,-0.2 0.894 104.7 51.2 -58.0 -42.0 23.4 -10.1 17.8 94 94 A L H 3X S+ 0 0 10 -4,-2.1 4,-1.5 1,-0.2 -1,-0.3 0.804 108.1 52.8 -68.1 -23.3 27.1 -10.4 17.2 95 95 A G H < - 0 0 22 -4,-2.3 3,-2.5 -5,-0.1 -1,-0.3 -0.760 67.0-169.2-142.1 92.3 28.7 -0.4 6.3 105 105 A P T 3 S+ 0 0 91 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.769 87.4 59.6 -54.1 -28.4 32.3 -0.6 7.8 106 106 A Q T 3 S+ 0 0 149 2,-0.1 -5,-0.1 -5,-0.0 2,-0.1 0.513 81.0 115.9 -76.5 -8.4 31.8 2.7 9.6 107 107 A A < - 0 0 1 -3,-2.5 2,-0.3 -7,-0.2 -29,-0.3 -0.383 56.8-142.3 -67.2 143.6 28.8 1.3 11.6 108 108 A K E -d 78 0A 83 -31,-1.9 -29,-2.9 -2,-0.1 2,-0.6 -0.836 7.9-141.0-112.8 143.7 29.2 1.0 15.3 109 109 A Y E -d 79 0A 0 -2,-0.3 32,-2.9 30,-0.2 33,-1.6 -0.894 18.3-167.9-100.3 121.5 28.1 -1.5 17.9 110 110 A F E -de 80 142A 0 -31,-3.1 -29,-1.9 -2,-0.6 2,-0.6 -0.955 6.8-162.3-107.5 119.4 27.0 0.2 21.1 111 111 A C E -de 81 143A 0 31,-3.1 33,-2.1 -2,-0.6 -29,-0.1 -0.914 15.1-171.8-111.0 118.7 26.6 -2.4 23.9 112 112 A D - 0 0 1 -31,-2.2 2,-2.2 -2,-0.6 31,-0.1 -0.926 21.6-149.9-102.7 102.6 24.6 -1.4 27.0 113 113 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 33,-0.2 -0.356 17.3-174.0 -75.5 62.7 25.5 -4.5 29.1 114 114 A V + 0 0 14 -2,-2.2 -30,-0.3 1,-0.2 18,-0.1 -0.394 15.3 163.3 -59.8 112.2 22.3 -4.7 31.1 115 115 A M - 0 0 16 -2,-0.4 9,-0.3 -32,-0.1 14,-0.2 0.625 29.1-155.1-108.5 -16.3 22.9 -7.5 33.6 116 116 A G - 0 0 25 1,-0.2 7,-0.2 7,-0.1 -1,-0.0 0.139 24.8-103.1 66.6 175.1 20.1 -6.8 36.0 117 117 A H >> - 0 0 114 5,-1.3 2,-2.7 2,-0.0 4,-2.5 -0.476 35.0-157.9-133.5 55.0 19.7 -7.6 39.7 118 118 A P T 34 S+ 0 0 70 0, 0.0 5,-0.1 0, 0.0 4,-0.1 -0.030 82.6 39.6 -40.1 64.6 17.3 -10.6 39.3 119 119 A E T 34 S+ 0 0 169 -2,-2.7 4,-0.1 2,-0.1 -3,-0.0 -0.090 132.2 12.1-173.1 -67.5 16.0 -10.2 42.9 120 120 A K T <4 S+ 0 0 178 -3,-1.0 2,-0.1 2,-0.1 3,-0.1 0.444 130.3 19.9-107.5 -3.6 15.6 -6.6 43.9 121 121 A G S < S- 0 0 14 -4,-2.5 2,-0.1 1,-0.2 -2,-0.1 -0.303 105.9 -2.4-134.9-141.4 16.0 -5.1 40.4 122 122 A C - 0 0 29 -2,-0.1 -5,-1.3 -4,-0.1 2,-1.0 -0.344 62.3-131.0 -61.4 130.2 15.9 -5.7 36.7 123 123 A I + 0 0 50 -7,-0.2 2,-0.4 -6,-0.1 -7,-0.1 -0.709 34.5 169.8 -94.2 102.5 15.1 -9.3 35.8 124 124 A V - 0 0 12 -2,-1.0 -39,-0.1 -9,-0.3 3,-0.1 -0.880 37.4-101.2-114.0 139.3 17.5 -10.6 33.2 125 125 A A > - 0 0 30 -41,-0.6 3,-1.4 -2,-0.4 4,-0.4 -0.138 45.2 -96.5 -53.6 147.3 18.0 -14.2 32.0 126 126 A P T 3 S+ 0 0 126 0, 0.0 -39,-0.4 0, 0.0 -1,-0.1 -0.353 108.4 31.3 -64.5 142.5 20.9 -16.3 33.4 127 127 A G T 3> S+ 0 0 33 -3,-0.1 4,-2.0 -41,-0.1 5,-0.1 0.242 87.7 100.8 94.4 -17.7 24.0 -16.3 31.1 128 128 A V H <> S+ 0 0 0 -3,-1.4 4,-2.1 2,-0.2 -13,-0.1 0.945 82.2 51.3 -65.5 -46.4 23.4 -12.8 29.7 129 129 A A H > S+ 0 0 38 -4,-0.4 4,-2.0 1,-0.2 5,-0.2 0.913 109.9 50.4 -53.3 -47.7 26.1 -11.4 32.0 130 130 A E H > S+ 0 0 141 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.895 106.1 55.4 -61.5 -41.0 28.5 -14.0 30.9 131 131 A F H X>S+ 0 0 9 -4,-2.0 4,-3.0 1,-0.2 5,-2.1 0.914 107.9 50.6 -59.9 -38.4 27.7 -13.2 27.3 132 132 A H H <>S+ 0 0 0 -4,-2.1 5,-3.2 3,-0.2 -2,-0.2 0.943 112.2 42.3 -67.1 -48.1 28.7 -9.6 27.9 133 133 A V H <5S+ 0 0 36 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.874 123.0 41.4 -67.1 -34.6 32.1 -10.1 29.6 134 134 A R H <5S- 0 0 156 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.901 139.3 -7.0 -78.4 -46.2 33.0 -12.8 27.0 135 135 A H T X5S+ 0 0 76 -4,-3.0 4,-2.1 -5,-0.3 5,-0.3 0.754 121.8 62.5-122.1 -44.8 31.7 -11.4 23.8 136 136 A G H > - 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0 0 6 -2,-0.3 3,-1.2 -30,-0.2 5,-0.4 -0.313 44.2-110.3 -80.4 164.7 6.4 -3.7 5.2 333 45 B T G > S+ 0 0 12 1,-0.2 3,-1.8 2,-0.2 -1,-0.1 0.623 103.1 79.1 -68.3 -16.9 4.7 -5.9 2.5 334 46 B Q G 3 S+ 0 0 42 1,-0.3 -1,-0.2 2,-0.1 76,-0.1 0.693 81.3 71.4 -67.7 -13.2 4.8 -3.4 -0.4 335 47 B Y G < S- 0 0 47 -3,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.699 109.7-122.4 -72.7 -17.7 8.5 -4.4 -0.8 336 48 B G S < S+ 0 0 61 -3,-1.8 2,-0.3 73,-0.2 -2,-0.1 0.501 85.6 48.2 88.2 4.2 7.3 -7.7 -2.2 337 49 B K + 0 0 107 -5,-0.4 2,-0.3 2,-0.0 -2,-0.2 -0.947 56.0 155.2-169.9 152.7 9.2 -9.6 0.5 338 50 B W - 0 0 82 -2,-0.3 2,-0.2 -8,-0.1 -275,-0.1 -0.925 24.8-137.6-179.5 150.1 9.8 -9.5 4.3 339 51 B T + 0 0 38 -2,-0.3 -9,-2.1 -276,-0.2 -8,-0.4 -0.502 52.0 78.3-108.9-178.1 10.9 -11.7 7.2 340 52 B G E -S 329 0C 21 -11,-0.3 2,-0.3 -2,-0.2 -11,-0.2 -0.709 63.3 -86.5 116.4-167.1 9.5 -11.9 10.7 341 53 B C E -S 328 0C 45 -13,-1.6 -13,-2.2 -2,-0.2 2,-0.5 -0.934 21.0-111.9-146.7 164.3 6.4 -13.5 12.4 342 54 B V E -S 327 0C 60 -2,-0.3 -15,-0.3 -15,-0.2 -16,-0.1 -0.851 38.5-120.1 -98.5 128.4 2.8 -13.0 13.4 343 55 B M - 0 0 8 -17,-2.4 30,-0.1 -2,-0.5 5,-0.1 -0.480 37.8-107.9 -66.4 135.6 2.2 -12.8 17.1 344 56 B P >> - 0 0 69 0, 0.0 3,-1.3 0, 0.0 4,-1.1 -0.396 24.0-118.9 -65.4 143.7 -0.1 -15.6 18.0 345 57 B P H >> S+ 0 0 27 0, 0.0 4,-1.2 0, 0.0 3,-0.6 0.883 113.4 56.1 -46.8 -46.4 -3.7 -14.5 18.9 346 58 B S H 3> S+ 0 0 57 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.785 97.9 63.8 -61.1 -27.1 -3.4 -15.8 22.5 347 59 B H H <> S+ 0 0 5 -3,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.939 100.5 51.5 -61.1 -45.7 -0.3 -13.6 23.0 348 60 B L H S+ 0 0 0 -4,-1.9 5,-1.8 1,-0.2 6,-0.5 0.894 113.6 46.9 -65.6 -36.9 -1.8 -5.0 32.0 356 68 B A H ><5S+ 0 0 31 -4,-2.7 3,-3.2 1,-0.2 -2,-0.2 0.930 103.4 64.9 -65.7 -42.5 -4.9 -5.7 34.0 357 69 B A H 3<5S+ 0 0 43 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.769 103.7 45.6 -51.2 -29.4 -2.7 -7.6 36.5 358 70 B I T 3<5S- 0 0 11 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.207 118.5-112.5-101.3 16.9 -0.9 -4.4 37.4 359 71 B D T < 5S+ 0 0 118 -3,-3.2 -3,-0.2 -5,-0.1 -2,-0.1 0.861 86.2 110.9 58.7 44.9 -4.2 -2.5 37.7 360 72 B K > < + 0 0 62 -5,-1.8 3,-2.4 2,-0.1 4,-0.4 0.548 41.2 92.2-121.8 -10.0 -3.8 -0.2 34.7 361 73 B L G > S+ 0 0 6 -6,-0.5 3,-1.5 1,-0.3 -5,-0.1 0.828 81.8 63.4 -55.2 -33.0 -6.4 -1.4 32.1 362 74 B H G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.679 93.0 62.7 -68.6 -14.9 -8.8 1.2 33.5 363 75 B T G < S+ 0 0 36 -3,-2.4 -71,-0.4 -72,-0.0 2,-0.3 0.602 78.2 107.2 -84.4 -9.7 -6.5 4.0 32.4 364 76 B C < - 0 0 0 -3,-1.5 -71,-0.2 -4,-0.4 3,-0.1 -0.528 46.3-174.6 -70.7 127.3 -6.9 3.0 28.7 365 77 B D + 0 0 42 -73,-2.6 31,-1.6 -2,-0.3 2,-0.3 0.728 65.5 6.8 -94.9 -24.9 -9.1 5.5 26.9 366 78 B A E -kl 293 396B 0 -74,-1.3 -72,-2.7 29,-0.3 2,-0.5 -0.998 53.6-142.2-158.6 152.2 -9.3 3.7 23.6 367 79 B V E -kl 294 397B 1 29,-2.7 31,-3.9 -2,-0.3 2,-0.4 -0.979 23.2-173.5-113.5 122.1 -8.4 0.5 21.8 368 80 B L E -kl 295 398B 1 -74,-2.3 -72,-3.7 -2,-0.5 2,-0.3 -0.956 2.0-176.4-114.9 137.5 -7.3 1.0 18.2 369 81 B S E +kl 296 399B 0 29,-2.3 31,-2.3 -2,-0.4 -72,-0.2 -0.943 13.4 151.5-128.2 153.2 -6.7 -1.9 15.9 370 82 B G + 0 0 0 -74,-1.6 2,-0.2 -2,-0.3 32,-0.1 -0.167 55.4 24.7-142.6-119.7 -5.4 -1.8 12.3 371 83 B Y - 0 0 24 -2,-0.1 -73,-0.5 30,-0.1 2,-0.4 -0.406 66.6-162.8 -62.5 125.3 -3.4 -4.3 10.3 372 84 B L - 0 0 0 30,-0.4 41,-0.5 -2,-0.2 3,-0.1 -0.857 20.0-144.0-110.3 144.0 -3.9 -7.9 11.7 373 85 B G S S+ 0 0 11 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.594 83.8 1.4 -82.6 -10.4 -1.5 -10.8 10.9 374 86 B S S >> S- 0 0 14 39,-0.1 3,-0.7 1,-0.1 4,-0.7 -0.969 72.1-109.1-167.4 160.9 -4.4 -13.2 10.8 375 87 B A H >> S+ 0 0 14 39,-0.5 4,-0.9 -2,-0.3 3,-0.6 0.814 111.7 63.9 -67.2 -33.6 -8.2 -13.4 11.2 376 88 B E H 3> S+ 0 0 106 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.736 93.2 63.2 -64.7 -22.7 -8.0 -15.2 14.5 377 89 B Q H <> S+ 0 0 0 -3,-0.7 4,-2.8 1,-0.2 -1,-0.2 0.901 94.3 62.9 -66.8 -40.0 -6.3 -12.2 16.1 378 90 B G H < - 0 0 26 -4,-1.8 3,-2.4 -5,-0.2 -1,-0.3 -0.692 62.8-167.0-152.2 96.2 -13.6 1.6 31.6 393 105 B P T 3 S+ 0 0 111 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.500 90.7 59.2 -60.8 -6.3 -17.1 1.8 30.0 394 106 B Q T 3 S+ 0 0 162 2,-0.1 -5,-0.1 -5,-0.0 -29,-0.0 0.534 77.2 115.6 -99.7 -8.2 -16.1 5.1 28.3 395 107 B A < - 0 0 4 -3,-2.4 2,-0.3 -7,-0.2 -29,-0.3 -0.288 58.8-142.9 -59.2 147.1 -13.2 3.5 26.5 396 108 B K E -l 366 0B 75 -31,-1.6 -29,-2.7 2,-0.0 2,-0.6 -0.858 3.5-134.2-114.6 149.0 -13.8 3.6 22.7 397 109 B Y E -l 367 0B 0 -2,-0.3 32,-2.3 -31,-0.2 33,-1.7 -0.911 17.2-164.9-106.6 119.4 -13.0 1.0 20.1 398 110 B F E -lm 368 430B 0 -31,-3.9 -29,-2.3 -2,-0.6 2,-0.6 -0.893 5.8-167.9-105.4 109.8 -11.3 2.4 17.0 399 111 B C E -lm 369 431B 0 31,-2.6 33,-1.8 -2,-0.7 -29,-0.2 -0.864 12.7-172.9-102.4 114.4 -11.3 -0.1 14.1 400 112 B D - 0 0 1 -31,-2.3 2,-2.4 -2,-0.6 31,-0.1 -0.910 22.0-147.9-102.7 102.3 -9.2 0.7 11.1 401 113 B P - 0 0 0 0, 0.0 2,-0.7 0, 0.0 33,-0.2 -0.383 16.7-169.8 -72.3 66.2 -10.3 -2.2 8.8 402 114 B V + 0 0 13 -2,-2.4 -30,-0.4 -32,-0.1 2,-0.2 -0.429 10.3 179.1 -64.4 104.8 -7.1 -2.7 7.0 403 115 B M - 0 0 3 -2,-0.7 2,-0.3 -32,-0.1 34,-0.1 -0.655 35.9 -88.2-104.0 163.7 -8.0 -5.0 4.2 404 116 B G + 0 0 33 -2,-0.2 7,-0.2 9,-0.2 3,-0.1 -0.582 35.9 178.8 -77.7 130.3 -5.6 -6.3 1.6 405 117 B H B >>> -T 410 0D 30 5,-1.2 5,-1.8 -2,-0.3 4,-1.0 -0.718 5.2-178.7-127.7 74.3 -5.2 -4.2 -1.6 406 118 B P T 345S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.752 79.5 54.4 -45.3 -35.7 -2.6 -6.3 -3.5 407 119 B E T 345S+ 0 0 192 1,-0.2 -2,-0.0 2,-0.1 -3,-0.0 0.898 109.5 45.5 -70.5 -41.1 -2.4 -3.9 -6.4 408 120 B K T <45S- 0 0 161 -3,-0.8 -1,-0.2 2,-0.1 98,-0.1 0.609 126.2-108.4 -75.0 -12.2 -1.6 -0.9 -4.1 409 121 B G T <5S+ 0 0 14 -4,-1.0 2,-0.7 1,-0.2 -73,-0.2 0.458 75.1 132.5 101.2 2.3 0.9 -3.3 -2.5 410 122 B C B < -T 405 0D 36 -5,-1.8 -5,-1.2 -76,-0.1 2,-0.7 -0.780 38.1-160.9 -92.9 116.8 -0.7 -4.1 0.9 411 123 B I + 0 0 77 -2,-0.7 2,-0.4 -7,-0.2 -78,-0.1 -0.847 14.3 173.8-101.1 117.2 -0.8 -7.8 1.6 412 124 B V - 0 0 23 -2,-0.7 -8,-0.1 -79,-0.0 -39,-0.1 -0.934 34.8-102.9-119.1 143.0 -3.3 -8.9 4.3 413 125 B A > - 0 0 33 -41,-0.5 3,-1.3 -2,-0.4 4,-0.3 -0.200 43.3 -90.8 -65.5 153.6 -4.1 -12.5 5.3 414 126 B P T 3 S+ 0 0 126 0, 0.0 -39,-0.5 0, 0.0 -1,-0.1 -0.339 109.7 28.9 -63.6 143.2 -7.2 -14.4 4.1 415 127 B G T 3> S+ 0 0 41 -41,-0.1 4,-1.8 -3,-0.1 -2,-0.1 0.055 89.7 101.5 95.6 -25.9 -10.2 -14.1 6.5 416 128 B V H <> S+ 0 0 0 -3,-1.3 4,-1.7 1,-0.2 5,-0.1 0.868 80.9 49.6 -60.3 -39.5 -9.3 -10.7 7.9 417 129 B A H > S+ 0 0 33 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.933 108.5 51.3 -66.9 -45.8 -11.8 -8.8 5.7 418 130 B E H > S+ 0 0 98 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.863 106.9 57.2 -59.4 -34.9 -14.7 -11.1 6.6 419 131 B F H X>S+ 0 0 7 -4,-1.8 5,-2.6 2,-0.2 4,-2.5 0.925 107.9 45.3 -61.9 -45.7 -13.7 -10.4 10.2 420 132 B H H <>S+ 0 0 0 -4,-1.7 5,-3.4 3,-0.2 -2,-0.2 0.949 114.9 48.9 -63.6 -46.6 -14.1 -6.7 9.9 421 133 B V H <5S+ 0 0 19 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.958 124.1 26.3 -58.2 -54.0 -17.3 -7.0 8.0 422 134 B R H <5S+ 0 0 152 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.691 139.7 9.2 -90.5 -16.2 -19.1 -9.4 10.4 423 135 B H T X5S+ 0 0 78 -4,-2.5 4,-1.4 -5,-0.3 -3,-0.2 0.670 122.0 51.8-128.2 -43.9 -17.4 -8.8 13.8 424 136 B G H >4 - 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