==== 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 02-AUG-05 2AJP . COMPND 2 MOLECULE: PYRIDOXAL KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.ISMAIL,S.DIMOV,A.ATANASSOVA,W.TEMPEL,C.ARROWSMITH,A.EDWARD . 604 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23644.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 424 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 9.6 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 51 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 1 2 1 1 2 0 2 0 0 2 2 2 0 2 0 0 0 0 0 0 0 1 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 0 4 0 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 PARALLEL BRIDGES PER LADDER . 2 3 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 2 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 5 A S 0 0 66 0, 0.0 29,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 156.7 -40.0 -14.2 -48.2 2 6 A R E -a 30 0A 76 27,-0.2 73,-2.0 29,-0.1 72,-1.7 -0.794 360.0-169.1-107.6 140.4 -36.9 -16.2 -47.2 3 7 A V E -ab 31 75A 0 27,-2.1 29,-3.7 -2,-0.4 2,-0.7 -0.982 13.8-155.8-132.2 129.7 -33.5 -14.9 -46.9 4 8 A L E -ab 32 76A 4 71,-2.2 73,-3.0 -2,-0.4 2,-0.6 -0.929 18.1-171.1-105.9 112.2 -30.1 -16.7 -46.4 5 9 A S E -ab 33 77A 0 27,-3.0 29,-2.8 -2,-0.7 2,-0.7 -0.909 5.8-171.5-111.2 119.4 -27.6 -14.3 -44.9 6 10 A I E +ab 34 78A 7 71,-2.4 73,-1.1 -2,-0.6 2,-0.3 -0.856 37.8 105.1-117.7 96.6 -24.0 -15.5 -44.7 7 11 A Q E -a 35 0A 5 27,-1.5 29,-2.1 -2,-0.7 30,-0.4 -0.903 67.7 -54.6-157.8-179.7 -21.8 -13.1 -42.6 8 12 A S E - 0 0 15 72,-0.3 9,-2.6 -2,-0.3 10,-0.5 -0.027 38.1-150.9 -67.8 162.0 -20.1 -12.9 -39.2 9 13 A H E -a 38 0A 11 28,-1.2 30,-2.4 8,-0.2 2,-0.3 -0.993 10.4-172.2-131.8 141.7 -21.6 -13.2 -35.8 10 14 A V E -a 39 0A 4 -2,-0.4 328,-0.3 5,-0.3 30,-0.2 -0.946 22.3-141.8-129.3 155.0 -20.4 -11.5 -32.6 11 15 A I S S+ 0 0 0 28,-1.7 2,-0.5 -2,-0.3 327,-0.4 0.975 94.7 33.6 -82.9 -61.7 -21.6 -12.0 -29.0 12 16 A R S S+ 0 0 10 28,-2.6 30,-0.4 325,-0.1 -1,-0.3 -0.856 114.4 19.2 -89.3 128.4 -21.4 -8.4 -27.8 13 17 A G S S- 0 0 2 -2,-0.5 2,-0.4 28,-0.1 -3,-0.2 -0.474 78.9 -80.4 114.6 179.8 -22.3 -6.0 -30.6 14 18 A Y + 0 0 3 -2,-0.1 2,-0.3 209,-0.1 269,-0.3 -0.777 62.7 120.4-136.5 85.5 -23.9 -5.4 -34.0 15 19 A V S > S- 0 0 19 -2,-0.4 3,-1.8 -5,-0.1 -5,-0.3 -0.956 71.9 -13.6-140.5 158.0 -22.0 -6.3 -37.1 16 20 A G T 3> S+ 0 0 1 -2,-0.3 4,-1.3 1,-0.3 3,-0.5 -0.251 137.3 3.7 48.8-125.2 -22.7 -8.8 -40.0 17 21 A N H 3> S+ 0 0 2 -9,-2.6 4,-2.7 1,-0.3 5,-0.3 0.787 131.8 59.8 -63.9 -29.0 -25.7 -11.1 -39.0 18 22 A R H <> S+ 0 0 13 -3,-1.8 4,-0.5 -10,-0.5 -1,-0.3 0.934 110.9 40.7 -59.3 -44.8 -26.1 -9.2 -35.7 19 23 A A H 4 S+ 0 0 0 -3,-0.5 -2,-0.2 -4,-0.2 -1,-0.2 0.696 123.8 39.1 -75.8 -20.9 -26.8 -6.0 -37.7 20 24 A A H X S+ 0 0 0 -4,-1.3 4,-1.5 -5,-0.2 -2,-0.2 0.790 105.6 60.4-102.9 -30.7 -28.9 -7.7 -40.4 21 25 A T H X S+ 0 0 21 -4,-2.7 4,-3.1 -5,-0.2 3,-0.3 0.993 102.6 43.0 -66.1 -71.3 -31.0 -10.3 -38.6 22 26 A F H X S+ 0 0 1 -4,-0.5 4,-3.3 -5,-0.3 5,-0.2 0.904 116.2 49.6 -43.6 -52.4 -33.2 -8.3 -36.0 23 27 A P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.917 114.4 43.2 -59.4 -42.7 -34.0 -5.5 -38.5 24 28 A L H <>S+ 0 0 0 -4,-1.5 5,-2.5 -3,-0.3 -2,-0.2 0.872 114.3 51.9 -71.1 -32.9 -35.1 -8.0 -41.3 25 29 A Q H ><5S+ 0 0 8 -4,-3.1 3,-2.2 1,-0.2 -1,-0.2 0.956 107.0 52.5 -62.0 -51.9 -37.0 -10.0 -38.7 26 30 A V H 3<5S+ 0 0 2 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.841 106.7 55.1 -45.2 -41.4 -38.8 -6.9 -37.5 27 31 A L T 3<5S- 0 0 20 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.325 126.1 -99.9 -84.2 6.3 -39.8 -6.2 -41.1 28 32 A G T < 5S+ 0 0 41 -3,-2.2 2,-0.4 1,-0.3 -3,-0.2 0.580 72.0 145.4 90.7 12.0 -41.4 -9.7 -41.5 29 33 A F < - 0 0 4 -5,-2.5 2,-1.6 -6,-0.1 -1,-0.3 -0.670 50.9-135.0 -87.2 139.2 -38.6 -11.6 -43.3 30 34 A E E -a 2 0A 21 -29,-2.0 -27,-2.1 -2,-0.4 2,-0.5 -0.692 39.2-176.9 -85.8 83.4 -37.9 -15.2 -42.7 31 35 A I E -a 3 0A 0 -2,-1.6 2,-0.5 -29,-0.2 -27,-0.2 -0.765 18.5-161.0 -96.0 131.6 -34.2 -14.8 -42.4 32 36 A D E -a 4 0A 0 -29,-3.7 -27,-3.0 -2,-0.5 2,-0.5 -0.956 14.3-148.8-109.9 127.2 -31.8 -17.7 -41.9 33 37 A A E -a 5 0A 3 -2,-0.5 2,-0.7 282,-0.3 -27,-0.2 -0.866 11.4-166.2-104.8 118.0 -28.4 -16.7 -40.6 34 38 A V E -a 6 0A 4 -29,-2.8 -27,-1.5 -2,-0.5 2,-1.0 -0.916 21.1-142.1 -98.6 115.3 -25.2 -18.6 -41.5 35 39 A N E -a 7 0A 7 -2,-0.7 -27,-0.2 -29,-0.2 -29,-0.1 -0.675 15.2-170.8 -84.9 106.8 -22.6 -17.4 -39.1 36 40 A S E S+ 0 0 9 -29,-2.1 17,-2.1 -2,-1.0 2,-0.3 0.603 76.2 0.2 -74.5 -13.7 -19.4 -17.2 -41.0 37 41 A V E - C 0 52A 30 -30,-0.4 -28,-1.2 15,-0.3 2,-0.4 -0.929 62.9-142.9-159.5 159.8 -17.4 -16.6 -37.7 38 42 A Q E +aC 9 51A 21 13,-2.7 13,-1.7 -2,-0.3 2,-0.2 -0.889 31.3 169.9-132.3 103.7 -18.4 -16.4 -34.1 39 43 A F E -aC 10 50A 37 -30,-2.4 -28,-1.7 -2,-0.4 11,-0.3 -0.696 45.9-121.0-111.1 162.9 -16.3 -13.8 -32.2 40 44 A S S S- 0 0 0 9,-2.5 -28,-2.6 -2,-0.2 2,-0.3 0.885 92.2 -27.4 -65.6 -36.6 -16.5 -12.2 -28.8 41 45 A N S S- 0 0 0 8,-0.2 -1,-0.2 -30,-0.2 8,-0.2 -0.940 86.0 -61.6-166.1 172.3 -16.9 -8.8 -30.5 42 46 A H > - 0 0 14 -30,-0.4 3,-1.2 -2,-0.3 5,-0.1 -0.149 49.3-108.9 -67.0 166.7 -15.9 -6.9 -33.7 43 47 A T T 3 S+ 0 0 80 1,-0.3 -1,-0.1 5,-0.0 5,-0.0 0.545 106.3 79.1 -81.1 -6.6 -12.2 -6.3 -34.7 44 48 A G T 3 S+ 0 0 48 234,-0.0 -1,-0.3 3,-0.0 2,-0.1 0.552 78.3 91.1 -73.2 -10.0 -12.3 -2.5 -33.9 45 49 A Y S < S- 0 0 18 -3,-1.2 -4,-0.0 2,-0.2 328,-0.0 -0.413 93.5-110.5 -79.4 164.3 -11.9 -3.4 -30.1 46 50 A A S S+ 0 0 84 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.889 102.3 23.7 -60.9 -38.4 -8.5 -3.6 -28.4 47 51 A H + 0 0 79 322,-0.1 2,-0.3 -5,-0.1 -2,-0.2 -0.879 63.2 172.5-124.9 156.5 -9.1 -7.4 -28.1 48 52 A W - 0 0 120 -2,-0.3 2,-0.3 -8,-0.1 -6,-0.1 -0.960 3.3-178.5-152.4 160.5 -11.1 -10.1 -29.8 49 53 A K + 0 0 30 -2,-0.3 -9,-2.5 -8,-0.2 2,-0.3 -0.969 26.2 96.7-154.2 141.7 -11.4 -13.9 -29.6 50 54 A G E -C 39 0A 19 -2,-0.3 2,-0.3 -11,-0.3 -11,-0.2 -0.955 54.8 -76.8 165.4-168.6 -13.4 -16.6 -31.4 51 55 A Q E -C 38 0A 33 -13,-1.7 -13,-2.7 -2,-0.3 2,-0.3 -0.792 28.6-138.6-118.3 156.7 -13.6 -19.2 -34.2 52 56 A V E -C 37 0A 101 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.3 -0.723 17.9-121.8-108.0 160.2 -14.1 -19.1 -37.9 53 57 A L - 0 0 14 -17,-2.1 2,-0.2 -2,-0.3 33,-0.1 -0.925 26.9-146.8 -98.7 122.9 -16.3 -21.3 -40.2 54 58 A N > - 0 0 74 -2,-0.5 4,-1.7 1,-0.1 3,-0.3 -0.485 27.1-106.5 -84.7 162.4 -14.3 -23.1 -43.0 55 59 A S H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.763 118.0 59.1 -65.6 -27.7 -15.8 -23.8 -46.4 56 60 A D H > S+ 0 0 114 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.929 107.5 47.8 -63.8 -42.9 -16.1 -27.6 -45.7 57 61 A E H > S+ 0 0 60 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.901 108.6 54.4 -64.2 -36.3 -18.3 -26.7 -42.7 58 62 A L H X S+ 0 0 3 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.925 109.1 47.9 -63.0 -43.9 -20.4 -24.3 -44.9 59 63 A Q H X S+ 0 0 79 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.913 107.5 56.6 -62.9 -42.8 -21.0 -27.1 -47.4 60 64 A E H X S+ 0 0 70 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.955 109.1 45.6 -50.2 -53.5 -22.0 -29.4 -44.5 61 65 A L H X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.895 113.1 50.5 -59.4 -42.1 -24.7 -26.9 -43.4 62 66 A Y H X S+ 0 0 12 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.878 109.1 50.2 -64.8 -39.5 -25.9 -26.5 -47.0 63 67 A E H X S+ 0 0 52 -4,-2.8 4,-3.6 2,-0.2 5,-0.3 0.944 106.3 57.1 -60.9 -48.3 -26.1 -30.3 -47.5 64 68 A G H X S+ 0 0 0 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.903 110.7 43.8 -42.0 -50.5 -28.1 -30.4 -44.3 65 69 A L H <>S+ 0 0 2 -4,-1.8 5,-3.4 2,-0.2 6,-0.7 0.874 114.3 48.9 -68.2 -39.1 -30.6 -27.9 -45.9 66 70 A R H ><5S+ 0 0 93 -4,-2.4 3,-3.1 3,-0.2 -2,-0.2 0.961 104.0 58.0 -68.1 -50.0 -30.6 -29.7 -49.2 67 71 A L H 3<5S+ 0 0 83 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.830 111.8 44.1 -47.0 -36.7 -31.2 -33.2 -47.7 68 72 A N T 3<5S- 0 0 30 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.378 114.7-118.1 -88.5 1.5 -34.4 -31.7 -46.2 69 73 A N T < 5S+ 0 0 129 -3,-3.1 -3,-0.2 -4,-0.1 -2,-0.1 0.889 79.9 125.5 62.5 38.1 -35.4 -29.9 -49.4 70 74 A M < + 0 0 8 -5,-3.4 2,-2.3 1,-0.1 -4,-0.2 0.515 32.8 104.3-103.0 -9.4 -35.0 -26.6 -47.5 71 75 A N + 0 0 3 -6,-0.7 2,-0.5 -9,-0.1 -1,-0.1 -0.142 49.5 111.5 -68.2 44.3 -32.6 -25.0 -49.9 72 76 A K + 0 0 49 -2,-2.3 2,-0.3 -3,-0.1 -70,-0.1 -0.916 42.0 168.8-123.3 106.6 -35.2 -22.8 -51.6 73 77 A Y - 0 0 1 -2,-0.5 -70,-0.2 24,-0.2 3,-0.1 -0.844 39.7-151.5-120.5 152.6 -34.7 -19.1 -50.9 74 78 A D S S+ 0 0 62 -72,-1.7 31,-2.3 -2,-0.3 2,-0.3 0.740 87.5 14.6 -87.0 -26.4 -36.2 -15.9 -52.2 75 79 A Y E -bd 3 105A 22 -73,-2.0 -71,-2.2 29,-0.2 2,-0.4 -0.985 56.0-154.2-144.6 153.3 -32.9 -14.0 -51.4 76 80 A V E -bd 4 106A 2 29,-2.1 31,-3.7 -2,-0.3 2,-0.4 -0.993 14.2-167.0-124.8 139.9 -29.3 -14.4 -50.5 77 81 A L E +bd 5 107A 0 -73,-3.0 -71,-2.4 -2,-0.4 2,-0.3 -0.988 9.9 176.8-126.3 119.7 -27.4 -11.8 -48.6 78 82 A T E +bd 6 108A 6 29,-2.5 31,-2.1 -2,-0.4 -71,-0.2 -0.908 6.2 154.6-124.5 157.1 -23.6 -11.8 -48.2 79 83 A G + 0 0 4 -73,-1.1 32,-0.1 -2,-0.3 2,-0.0 -0.403 47.3 13.1-143.2-141.1 -21.1 -9.5 -46.7 80 84 A Y + 0 0 91 -2,-0.1 2,-0.3 30,-0.1 -72,-0.3 -0.229 58.9 170.3 -54.9 122.8 -17.6 -9.3 -45.2 81 85 A T - 0 0 14 30,-0.4 47,-0.0 1,-0.1 3,-0.0 -1.000 24.7-168.8-139.5 136.2 -15.5 -12.4 -45.8 82 86 A R + 0 0 59 -2,-0.3 2,-0.5 42,-0.1 -1,-0.1 0.729 67.7 71.1 -94.4 -27.2 -11.7 -13.2 -45.2 83 87 A D > - 0 0 45 1,-0.1 4,-2.7 41,-0.1 5,-0.1 -0.849 58.4-156.0-105.2 126.5 -11.1 -16.5 -47.0 84 88 A K H > S+ 0 0 27 -2,-0.5 4,-3.0 2,-0.2 5,-0.2 0.884 101.7 55.2 -56.8 -42.2 -11.1 -16.9 -50.8 85 89 A S H > S+ 0 0 75 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.948 108.5 46.3 -54.4 -54.4 -12.0 -20.6 -50.2 86 90 A F H > S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.921 113.2 50.5 -55.0 -47.4 -15.1 -19.6 -48.2 87 91 A L H X S+ 0 0 3 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.918 108.0 51.3 -59.1 -45.7 -16.0 -17.0 -50.8 88 92 A A H X S+ 0 0 45 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.925 110.2 50.2 -59.7 -42.3 -15.7 -19.6 -53.7 89 93 A M H X S+ 0 0 27 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.885 107.2 54.0 -61.7 -39.8 -18.0 -21.9 -51.7 90 94 A V H X S+ 0 0 6 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.946 106.7 52.9 -56.8 -48.8 -20.5 -19.1 -51.2 91 95 A V H X S+ 0 0 17 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.938 108.6 49.0 -51.3 -50.1 -20.5 -18.7 -55.1 92 96 A D H X S+ 0 0 97 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.924 110.3 51.6 -58.2 -43.8 -21.3 -22.4 -55.6 93 97 A I H X S+ 0 0 8 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.934 112.0 45.1 -59.7 -47.8 -24.1 -22.2 -53.1 94 98 A V H X S+ 0 0 1 -4,-2.7 4,-3.2 2,-0.2 5,-0.2 0.927 109.1 56.8 -61.9 -46.4 -25.7 -19.2 -54.8 95 99 A Q H X S+ 0 0 86 -4,-3.1 4,-1.5 -5,-0.2 -2,-0.2 0.957 113.5 41.4 -44.3 -55.7 -25.2 -20.9 -58.3 96 100 A E H X S+ 0 0 56 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.876 111.7 51.6 -65.8 -42.7 -27.2 -23.8 -57.0 97 101 A L H X S+ 0 0 1 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.894 109.6 54.1 -61.2 -34.2 -29.9 -21.8 -55.1 98 102 A K H < S+ 0 0 43 -4,-3.2 -2,-0.2 2,-0.2 -1,-0.2 0.838 109.4 46.1 -66.8 -34.9 -30.3 -19.8 -58.4 99 103 A Q H < S+ 0 0 152 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.884 114.5 48.7 -70.0 -39.9 -30.9 -23.1 -60.3 100 104 A Q H < S+ 0 0 98 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.879 133.9 12.8 -63.6 -41.5 -33.3 -24.1 -57.5 101 105 A N >< - 0 0 31 -4,-3.0 3,-1.3 -5,-0.2 -1,-0.3 -0.894 64.1-172.2-138.1 106.9 -35.1 -20.8 -57.8 102 106 A P T 3 S+ 0 0 111 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.671 86.3 63.5 -76.7 -13.0 -34.3 -18.6 -60.8 103 107 A R T 3 S+ 0 0 223 2,-0.1 2,-0.1 -28,-0.0 -5,-0.1 0.344 76.6 129.5 -85.7 4.6 -36.2 -15.7 -59.3 104 108 A L < - 0 0 2 -3,-1.3 2,-0.7 -6,-0.2 -29,-0.2 -0.372 53.2-142.4 -62.1 132.9 -33.8 -15.5 -56.4 105 109 A V E -d 75 0A 38 -31,-2.3 -29,-2.1 -2,-0.1 2,-0.8 -0.876 10.2-155.0 -97.9 116.6 -32.4 -12.1 -55.7 106 110 A Y E -d 76 0A 2 -2,-0.7 35,-2.7 33,-0.2 36,-1.8 -0.828 5.6-164.6 -91.0 112.6 -28.7 -12.2 -54.6 107 111 A V E -de 77 142A 0 -31,-3.7 -29,-2.5 -2,-0.8 2,-0.5 -0.868 11.9-173.4 -94.6 111.2 -27.7 -9.2 -52.5 108 112 A C E -de 78 143A 0 34,-3.1 36,-1.1 -2,-0.7 -29,-0.2 -0.889 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0.818 80.4 73.3 -68.8 -30.7 -10.3 -12.0 -53.1 129 133 A L H <> S+ 0 0 25 -3,-1.6 4,-3.2 -4,-0.3 5,-0.2 0.891 95.3 47.6 -50.5 -53.8 -10.6 -9.2 -55.7 130 134 A P H >>S+ 0 0 54 0, 0.0 4,-3.4 0, 0.0 5,-0.5 0.907 110.5 52.4 -56.2 -43.7 -10.6 -11.6 -58.8 131 135 A V H X>S+ 0 0 27 -4,-0.8 4,-2.5 1,-0.2 5,-2.5 0.922 113.6 45.0 -57.9 -43.7 -13.1 -13.9 -57.2 132 136 A Y H <>S+ 0 0 0 -4,-2.4 5,-3.3 3,-0.2 -1,-0.2 0.945 117.7 42.3 -62.8 -53.4 -15.4 -10.9 -56.7 133 137 A K H <5S+ 0 0 76 -4,-3.2 -2,-0.2 3,-0.2 -1,-0.2 0.930 129.7 26.7 -55.9 -49.7 -14.8 -9.4 -60.2 134 138 A E H <5S+ 0 0 137 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.822 135.9 17.8 -92.3 -34.8 -15.1 -12.8 -62.0 135 139 A K T <> - 0 0 8 35,-0.2 4,-1.6 -36,-0.2 38,-0.1 -0.198 45.1 -85.3 -77.4-170.5 -18.6 2.0 -51.0 147 151 A Q H > S+ 0 0 7 36,-1.4 4,-1.9 2,-0.2 5,-0.2 0.943 129.0 50.8 -64.7 -50.1 -16.5 4.3 -53.3 148 152 A F H > S+ 0 0 21 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.881 111.2 48.9 -52.9 -43.5 -13.2 2.4 -52.7 149 153 A E H > S+ 0 0 6 -36,-0.3 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179 A G S << S+ 0 0 27 -3,-0.9 -3,-0.1 -4,-0.5 -4,-0.1 -0.399 89.8 110.1 149.5 -68.0 -24.3 -8.4 -64.0 176 180 A P - 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -35,-0.2 -0.100 43.4-158.9 -57.7 138.5 -26.1 -6.6 -61.2 177 181 A D S S+ 0 0 72 -36,-0.9 25,-3.0 1,-0.2 2,-0.5 0.635 82.0 50.7 -86.6 -19.6 -29.3 -4.7 -62.0 178 182 A T E +fG 142 201A 10 -37,-1.7 -35,-1.8 23,-0.2 2,-0.4 -0.990 65.2 178.2-123.0 121.5 -29.1 -2.5 -58.8 179 183 A V E +fG 143 200A 0 21,-3.1 21,-3.2 -2,-0.5 2,-0.4 -0.992 0.7 177.1-123.5 131.0 -25.9 -0.7 -57.9 180 184 A V E - G 0 199A 0 -37,-1.4 2,-0.7 -2,-0.4 19,-0.2 -0.946 22.5-149.4-138.9 111.2 -25.7 1.5 -54.9 181 185 A I E - G 0 198A 2 17,-2.4 17,-1.3 -2,-0.4 -35,-0.2 -0.765 15.6-160.2 -77.8 118.0 -22.5 3.3 -53.8 182 186 A T + 0 0 21 -37,-2.1 2,-0.3 -2,-0.7 -36,-0.2 0.643 66.5 3.3 -85.5 -17.4 -23.1 3.4 -50.0 183 187 A S + 0 0 30 -38,-0.4 -36,-1.4 15,-0.1 2,-0.3 -0.947 68.0 178.8-160.7 147.8 -20.6 6.1 -49.1 184 188 A S - 0 0 15 -2,-0.3 12,-1.4 -38,-0.1 -38,-0.0 -0.999 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4,-2.0 1,-0.2 -1,-0.2 0.895 113.6 44.4 -60.7 -44.9 -37.1 -16.8 -22.5 541 240 B M H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.798 108.6 57.3 -71.0 -29.1 -40.5 -15.3 -21.9 542 241 B L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.962 108.3 48.5 -66.1 -48.1 -40.4 -16.2 -18.2 543 242 B L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.933 115.2 44.5 -47.0 -55.3 -37.2 -14.2 -18.0 544 243 B A H X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.929 118.0 41.7 -63.7 -48.0 -38.9 -11.2 -19.8 545 244 B W H X S+ 0 0 13 -4,-3.1 4,-1.6 2,-0.2 -1,-0.2 0.706 114.1 49.9 -81.7 -21.1 -42.2 -11.3 -18.0 546 245 B T H < S+ 0 0 10 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.815 106.8 58.2 -77.7 -31.9 -40.7 -11.8 -14.5 547 246 B H H < S+ 0 0 72 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.846 114.4 37.0 -58.4 -36.2 -38.3 -9.0 -15.2 548 247 B K H < S+ 0 0 82 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.795 129.9 31.3 -87.4 -34.9 -41.4 -6.7 -15.8 549 248 B H S >< S+ 0 0 49 -4,-1.6 3,-1.8 1,-0.1 7,-0.3 -0.600 71.5 162.9-120.1 67.6 -43.6 -8.2 -13.0 550 249 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112.8 44.3 -52.5 -51.9 -52.3 -20.9 -32.8 570 269 B R H X S+ 0 0 83 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.858 115.0 48.7 -63.7 -37.6 -50.6 -19.1 -35.7 571 270 B T H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.870 110.2 50.3 -70.2 -41.4 -48.3 -22.0 -36.3 572 271 B I H X S+ 0 0 32 -4,-3.2 4,-2.1 2,-0.2 3,-0.2 0.956 113.0 47.3 -61.8 -49.4 -51.1 -24.6 -36.2 573 272 B Q H X S+ 0 0 132 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.870 112.5 48.8 -58.7 -40.6 -53.1 -22.6 -38.7 574 273 B C H X S+ 0 0 55 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.796 109.5 52.2 -73.4 -27.9 -50.1 -22.1 -41.0 575 274 B A H < S+ 0 0 23 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.888 107.3 53.5 -71.1 -39.0 -49.3 -25.9 -40.9 576 275 B K H < S+ 0 0 108 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.916 108.8 48.9 -61.3 -47.0 -52.9 -26.7 -41.9 577 276 B A H < 0 0 92 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.927 360.0 360.0 -56.5 -50.6 -52.7 -24.4 -45.0 578 277 B Q < 0 0 111 -4,-1.6 -3,-0.1 5,-0.1 5,-0.0 0.532 360.0 360.0 -77.1 360.0 -49.3 -25.9 -46.2 579 ! 0 0 0 0, 0.0 0, 0.0 0, 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3,-1.0 1,-0.3 -1,-0.2 0.835 110.5 52.1 -53.2 -38.2 -41.4 -13.4 -37.0 590 295 B Q G 3 S+ 0 0 73 1,-0.2 -1,-0.3 2,-0.1 3,-0.3 0.564 102.1 60.5 -81.1 -10.2 -45.2 -13.3 -37.7 591 296 B S G X> + 0 0 0 -3,-1.7 4,-2.0 -4,-0.3 3,-0.5 0.309 66.0 118.5-100.9 10.0 -46.0 -13.2 -34.0 592 297 B K H <> S+ 0 0 34 -3,-1.0 4,-2.3 1,-0.3 -1,-0.2 0.830 76.8 46.9 -45.0 -49.1 -44.2 -9.9 -33.2 593 298 B R H 3> S+ 0 0 106 -3,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.893 111.7 51.3 -63.0 -40.6 -47.3 -8.0 -32.1 594 299 B D H <4 S+ 0 0 31 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.824 110.7 49.3 -64.8 -32.0 -48.4 -10.9 -29.9 595 300 B I H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.922 110.4 49.9 -73.5 -44.9 -44.9 -11.0 -28.3 596 301 B E H < S+ 0 0 49 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.881 135.0 4.9 -57.2 -47.2 -44.9 -7.2 -27.6 597 302 B D S < S- 0 0 127 -4,-2.0 2,-0.5 -5,-0.2 -1,-0.3 -0.753 79.5-159.9-147.1 87.4 -48.3 -7.2 -26.0 598 303 B P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 -35,-0.1 -0.644 18.0-128.9 -82.3 125.6 -49.9 -10.6 -25.5 599 304 B 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