==== 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 27-APR-07 2YXU . COMPND 2 MOLECULE: PYRIDOXAL KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.K.SAFO,F.N.MUSAYEV,T.P.KO,V.SCHIRCH . 613 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 424 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 48 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.8 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 0 2 2 0 2 0 0 2 2 2 0 2 0 0 0 0 0 0 0 0 1 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 . 0 2 4 2 0 0 0 0 1 0 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 3 A E 0 0 213 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.5 -1.2 15.0 47.7 2 4 A E - 0 0 70 2,-0.0 2,-0.5 29,-0.0 29,-0.1 -0.999 360.0-159.2-143.6 144.8 2.4 15.4 46.7 3 5 A C - 0 0 10 27,-0.4 29,-2.2 -2,-0.3 2,-0.4 -0.951 16.7-155.9-126.2 107.4 5.7 14.1 48.0 4 6 A R E -a 32 0A 31 -2,-0.5 73,-1.8 27,-0.2 72,-1.6 -0.715 8.2-170.7 -93.6 136.6 8.8 16.1 47.1 5 7 A V E -ab 33 77A 0 27,-1.8 29,-2.9 -2,-0.4 2,-0.6 -0.969 12.1-154.6-124.2 132.7 12.3 14.6 46.9 6 8 A L E -ab 34 78A 4 71,-2.0 73,-2.9 -2,-0.4 2,-0.6 -0.956 18.7-168.8-105.8 115.6 15.6 16.6 46.5 7 9 A S E -ab 35 79A 0 27,-3.2 29,-2.8 -2,-0.6 2,-0.7 -0.919 8.3-170.3-114.2 117.1 18.1 14.3 45.0 8 10 A I E +ab 36 80A 4 71,-2.7 73,-1.1 -2,-0.6 2,-0.3 -0.857 38.3 105.3-110.8 102.6 21.7 15.4 44.9 9 11 A Q E -a 37 0A 5 27,-1.7 29,-1.7 -2,-0.7 30,-0.4 -0.945 66.0 -57.5-159.7 179.8 23.9 13.1 42.7 10 12 A S E - 0 0 19 72,-0.3 9,-2.9 -2,-0.3 10,-0.7 -0.190 35.9-149.9 -73.8 158.4 25.6 12.8 39.4 11 13 A H E -a 40 0A 13 28,-1.3 30,-2.6 7,-0.2 2,-0.3 -0.974 9.0-170.1-125.1 139.7 24.3 13.2 35.9 12 14 A V E -a 41 0A 4 -2,-0.4 331,-0.3 5,-0.3 30,-0.2 -0.893 22.1-142.1-123.3 154.7 25.6 11.4 32.8 13 15 A I S S+ 0 0 0 28,-1.7 2,-0.5 -2,-0.3 330,-0.2 0.895 94.3 40.0 -83.1 -44.5 24.5 12.2 29.3 14 16 A R S S- 0 0 14 28,-2.0 30,-0.4 27,-0.2 -1,-0.3 -0.914 112.3 -1.0-109.2 122.6 24.7 8.6 28.3 15 17 A G S S- 0 0 3 -2,-0.5 2,-0.4 -3,-0.1 -3,-0.2 -0.535 80.3 -66.4 109.4-169.9 23.5 5.9 30.7 16 18 A Y + 0 0 4 210,-0.2 2,-0.3 -2,-0.2 270,-0.3 -0.820 65.8 114.0-138.1 98.5 22.0 5.4 34.1 17 19 A V S > S- 0 0 10 -2,-0.4 3,-1.7 -7,-0.1 -5,-0.3 -0.952 72.8 -1.5-150.2 156.9 23.9 6.1 37.3 18 20 A G T >> S- 0 0 1 -2,-0.3 4,-1.7 1,-0.3 3,-0.5 -0.363 136.3 -3.4 63.6-133.3 23.2 8.7 40.0 19 21 A N H 3> S+ 0 0 2 -9,-2.9 4,-2.7 1,-0.3 5,-0.3 0.764 133.7 63.2 -67.4 -23.5 20.2 11.0 39.2 20 22 A R H <4 S+ 0 0 12 -3,-1.7 4,-0.5 -10,-0.7 -1,-0.3 0.881 109.2 37.8 -65.8 -40.4 19.9 9.2 36.0 21 23 A A H <4 S+ 0 0 0 -3,-0.5 -2,-0.2 1,-0.1 -1,-0.2 0.734 124.3 42.6 -82.2 -22.9 19.2 5.9 37.8 22 24 A A H X S+ 0 0 0 -4,-1.7 4,-1.3 -5,-0.1 -2,-0.2 0.780 105.1 57.5 -94.9 -30.8 17.1 7.5 40.5 23 25 A T H X S+ 0 0 19 -4,-2.7 4,-2.7 2,-0.2 3,-0.3 0.987 102.1 46.2 -70.5 -61.3 14.9 10.1 38.8 24 26 A F H > S+ 0 0 1 -4,-0.5 4,-2.8 -5,-0.3 5,-0.2 0.892 114.2 50.0 -52.1 -47.1 12.9 8.2 36.1 25 27 A P H > S+ 0 0 0 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.904 113.7 44.3 -59.3 -41.2 11.9 5.4 38.6 26 28 A L H <>S+ 0 0 0 -4,-1.3 5,-2.5 -3,-0.3 -2,-0.2 0.837 112.7 51.7 -73.4 -31.3 10.8 7.8 41.3 27 29 A Q H ><5S+ 0 0 8 -4,-2.7 3,-2.4 1,-0.2 -1,-0.2 0.967 107.4 53.6 -68.1 -46.7 8.9 10.0 38.7 28 30 A V H 3<5S+ 0 0 3 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.807 106.7 53.2 -52.5 -34.4 7.1 6.8 37.5 29 31 A L T 3<5S- 0 0 17 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.222 127.0 -99.1 -90.4 14.8 6.0 6.1 41.1 30 32 A G T < 5S+ 0 0 39 -3,-2.4 -27,-0.4 1,-0.2 2,-0.3 0.573 70.6 146.8 85.9 13.7 4.5 9.6 41.4 31 33 A F < - 0 0 4 -5,-2.5 2,-1.7 -29,-0.1 -1,-0.2 -0.608 51.3-134.1 -87.3 144.0 7.2 11.5 43.2 32 34 A E E +a 4 0A 4 -29,-2.2 -27,-1.8 -2,-0.3 2,-0.4 -0.650 42.5 178.2 -86.9 79.1 7.9 15.2 42.7 33 35 A I E -a 5 0A 0 -2,-1.7 2,-0.5 -29,-0.2 -27,-0.2 -0.766 18.3-161.8 -94.2 132.5 11.6 14.7 42.5 34 36 A D E -a 6 0A 0 -29,-2.9 -27,-3.2 -2,-0.4 2,-0.6 -0.947 12.3-147.3-109.8 125.1 14.0 17.5 41.9 35 37 A A E -a 7 0A 4 -2,-0.5 2,-0.6 286,-0.4 -27,-0.2 -0.845 12.3-169.1-105.2 117.8 17.4 16.6 40.7 36 38 A V E -a 8 0A 6 -29,-2.8 -27,-1.7 -2,-0.6 2,-0.9 -0.900 22.5-141.7 -99.2 121.7 20.5 18.6 41.6 37 39 A N E -a 9 0A 9 -2,-0.6 -27,-0.2 -29,-0.2 -29,-0.1 -0.749 14.6-168.4 -93.7 109.6 23.3 17.3 39.4 38 40 A S E S+ 0 0 7 -29,-1.7 17,-2.5 -2,-0.9 2,-0.3 0.702 78.0 2.5 -65.1 -23.9 26.5 17.2 41.4 39 41 A V E - C 0 54A 28 -30,-0.4 -28,-1.3 15,-0.2 2,-0.3 -0.947 61.8-143.2-152.0 166.2 28.3 16.6 38.1 40 42 A Q E +aC 11 53A 22 13,-2.6 13,-1.9 -2,-0.3 2,-0.3 -0.837 31.1 169.5-138.1 102.3 27.5 16.3 34.4 41 43 A F E -aC 12 52A 40 -30,-2.6 -28,-1.7 -2,-0.3 11,-0.2 -0.781 45.3-121.3-114.9 157.1 29.6 13.7 32.6 42 44 A S S S- 0 0 0 9,-2.8 -28,-2.0 -2,-0.3 2,-0.3 0.831 92.4 -28.8 -63.3 -33.1 29.4 12.2 29.1 43 45 A N S S- 0 0 0 8,-0.3 -1,-0.2 -30,-0.2 -28,-0.1 -0.946 84.8 -66.2-168.3 175.1 29.1 8.8 30.8 44 46 A H > - 0 0 13 -30,-0.4 3,-1.1 -2,-0.3 5,-0.1 -0.270 48.9-107.2 -72.4 167.0 30.1 6.9 33.9 45 47 A T T 3 S+ 0 0 85 1,-0.2 -1,-0.1 5,-0.0 5,-0.1 0.352 103.6 84.2 -78.1 4.4 33.7 6.1 34.7 46 48 A G T 3 S+ 0 0 45 3,-0.1 -1,-0.2 235,-0.0 2,-0.1 0.604 79.2 90.9 -80.3 -9.6 33.5 2.4 34.0 47 49 A Y S < S- 0 0 13 -3,-1.1 -4,-0.0 2,-0.2 331,-0.0 -0.387 94.6-109.6 -83.9 161.9 34.1 3.3 30.4 48 50 A A S S+ 0 0 84 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.905 103.5 19.7 -54.1 -38.4 37.4 3.6 28.5 49 51 A H + 0 0 77 325,-0.1 2,-0.3 -5,-0.1 -2,-0.2 -0.926 59.0 173.0-135.1 159.6 36.7 7.4 28.5 50 52 A W - 0 0 113 -2,-0.3 2,-0.3 -5,-0.1 321,-0.1 -0.924 3.6-177.3-163.1 137.4 34.8 10.1 30.2 51 53 A K + 0 0 64 -2,-0.3 -9,-2.8 320,-0.2 -8,-0.3 -0.918 27.4 111.9-130.0 155.9 34.7 13.9 29.9 52 54 A G E -C 41 0A 18 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.961 49.2 -92.8 163.9-178.1 32.7 16.4 31.9 53 55 A Q E -C 40 0A 30 -13,-1.9 -13,-2.6 -2,-0.3 2,-0.2 -0.863 27.5-135.7-126.6 160.6 32.3 19.1 34.5 54 56 A V E -C 39 0A 96 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.2 -0.727 13.4-124.2-117.3 159.8 31.6 19.2 38.2 55 57 A L - 0 0 10 -17,-2.5 2,-0.2 -2,-0.2 33,-0.1 -0.894 30.5-145.8-100.8 129.3 29.4 21.3 40.5 56 58 A N > - 0 0 65 -2,-0.5 4,-2.5 1,-0.1 3,-0.3 -0.561 26.7-104.5 -94.3 165.9 31.3 23.1 43.3 57 59 A S H > S+ 0 0 31 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.838 121.3 53.4 -53.3 -36.2 30.1 23.8 46.8 58 60 A D H > S+ 0 0 111 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 109.7 47.1 -66.9 -42.4 29.6 27.4 46.0 59 61 A E H > S+ 0 0 53 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.871 109.5 54.7 -67.2 -37.1 27.4 26.6 43.0 60 62 A L H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.938 110.4 45.8 -61.5 -45.3 25.5 24.1 45.1 61 63 A Q H X S+ 0 0 86 -4,-2.1 4,-3.2 2,-0.2 -2,-0.2 0.899 108.6 55.9 -63.2 -42.5 24.7 26.9 47.6 62 64 A E H X S+ 0 0 67 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.975 109.7 46.5 -53.1 -55.4 23.8 29.3 44.8 63 65 A L H X S+ 0 0 2 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.900 112.7 49.2 -53.6 -46.9 21.2 26.8 43.6 64 66 A Y H X S+ 0 0 11 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.906 108.2 55.0 -60.7 -41.4 19.9 26.2 47.1 65 67 A E H X S+ 0 0 60 -4,-3.2 4,-3.1 2,-0.2 -2,-0.2 0.894 105.1 53.0 -56.0 -45.4 19.7 30.0 47.6 66 68 A G H X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.935 110.7 46.4 -57.8 -49.4 17.5 30.4 44.5 67 69 A L H <>S+ 0 0 3 -4,-1.9 5,-2.9 1,-0.2 3,-0.3 0.889 113.2 49.9 -60.4 -41.9 15.1 27.7 45.9 68 70 A R H ><5S+ 0 0 83 -4,-2.5 3,-3.6 1,-0.2 5,-0.2 0.969 102.5 58.3 -65.1 -51.4 15.0 29.4 49.3 69 71 A L H 3<5S+ 0 0 77 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.769 110.9 46.5 -46.9 -29.3 14.3 32.9 48.0 70 72 A N T 3<5S- 0 0 25 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.294 116.2-114.1 -96.4 7.0 11.2 31.4 46.4 71 73 A N T < 5S+ 0 0 110 -3,-3.6 -3,-0.2 1,-0.1 -2,-0.1 0.892 81.0 126.9 60.6 39.4 10.1 29.4 49.5 72 74 A M < + 0 0 1 -5,-2.9 -4,-0.2 1,-0.1 2,-0.1 0.085 34.9 100.6-112.9 18.5 10.8 26.2 47.6 73 75 A N + 0 0 4 -6,-0.3 2,-0.5 -5,-0.2 -1,-0.1 -0.244 52.6 107.1 -98.7 43.3 13.1 24.8 50.3 74 76 A K + 0 0 82 -2,-0.1 2,-0.3 -3,-0.1 -70,-0.1 -0.948 43.7 162.2-125.6 108.6 10.4 22.5 51.7 75 77 A Y - 0 0 2 -2,-0.5 -70,-0.2 24,-0.2 3,-0.1 -0.939 41.3-147.7-131.8 153.3 10.8 18.8 51.0 76 78 A D S S+ 0 0 58 -72,-1.6 31,-2.6 -2,-0.3 2,-0.3 0.763 87.6 14.9 -84.9 -30.3 9.6 15.4 52.2 77 79 A Y E -bd 5 107A 22 -73,-1.8 -71,-2.0 29,-0.2 2,-0.4 -0.984 57.2-157.1-145.6 152.8 12.8 13.5 51.4 78 80 A V E -bd 6 108A 0 29,-1.7 31,-3.2 -2,-0.3 2,-0.4 -0.982 14.5-167.1-128.5 137.1 16.4 14.2 50.5 79 81 A L E +bd 7 109A 1 -73,-2.9 -71,-2.7 -2,-0.4 2,-0.3 -0.989 10.0 171.4-127.9 125.9 18.5 11.7 48.7 80 82 A T E +bd 8 110A 2 29,-1.8 31,-2.5 -2,-0.4 -71,-0.2 -0.969 3.8 158.8-134.8 154.3 22.2 11.7 48.2 81 83 A G + 0 0 1 -73,-1.1 -73,-0.0 -2,-0.3 149,-0.0 -0.390 52.0 16.8-140.3-141.5 24.7 9.2 46.9 82 84 A Y + 0 0 75 -2,-0.2 2,-0.4 30,-0.1 -72,-0.3 -0.125 56.3 164.2 -49.0 118.7 28.2 9.3 45.5 83 85 A T - 0 0 12 30,-0.4 3,-0.0 -3,-0.1 47,-0.0 -0.997 20.1-171.3-132.8 134.3 30.2 12.5 46.2 84 86 A R + 0 0 151 -2,-0.4 2,-0.5 42,-0.1 -1,-0.1 0.427 64.6 81.9-105.3 0.1 33.9 12.6 45.7 85 87 A D > - 0 0 55 1,-0.1 4,-2.5 41,-0.1 5,-0.2 -0.934 58.7-158.4-121.1 122.0 34.4 16.0 47.3 86 88 A K H > S+ 0 0 111 -2,-0.5 4,-2.4 2,-0.2 5,-0.2 0.864 97.2 49.9 -55.7 -46.7 34.6 16.8 51.0 87 89 A S H > S+ 0 0 65 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.927 111.8 49.3 -62.4 -44.4 33.7 20.5 50.7 88 90 A F H > S+ 0 0 6 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.926 110.8 49.6 -59.5 -47.5 30.6 19.5 48.5 89 91 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.898 108.0 53.1 -63.1 -39.1 29.5 16.9 51.1 90 92 A A H X S+ 0 0 41 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.912 108.7 51.0 -61.7 -39.5 29.8 19.4 54.0 91 93 A M H X S+ 0 0 26 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.851 106.2 54.5 -64.4 -34.6 27.6 21.8 52.0 92 94 A V H X S+ 0 0 2 -4,-1.8 4,-3.2 2,-0.2 -1,-0.2 0.901 107.9 51.4 -64.4 -38.8 25.0 19.0 51.5 93 95 A V H X S+ 0 0 7 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.924 108.3 48.6 -63.7 -47.3 25.1 18.6 55.3 94 96 A D H X S+ 0 0 84 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.927 113.7 49.6 -60.2 -42.6 24.4 22.3 55.9 95 97 A I H X S+ 0 0 3 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.936 110.4 48.1 -62.2 -45.9 21.6 22.0 53.4 96 98 A V H X S+ 0 0 0 -4,-3.2 4,-1.9 2,-0.2 -1,-0.2 0.893 110.4 51.6 -62.8 -40.6 20.0 18.9 55.0 97 99 A Q H X S+ 0 0 91 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.959 112.0 48.9 -56.9 -49.2 20.1 20.5 58.4 98 100 A E H X S+ 0 0 61 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.896 110.4 48.2 -55.9 -50.0 18.4 23.6 56.9 99 101 A L H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -24,-0.2 0.813 109.4 54.8 -67.0 -28.0 15.6 21.6 55.2 100 102 A K H < S+ 0 0 40 -4,-1.9 6,-0.2 -5,-0.2 -1,-0.2 0.873 105.8 50.2 -71.0 -34.7 15.0 19.7 58.4 101 103 A Q H < S+ 0 0 149 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.863 112.9 49.0 -67.7 -35.9 14.5 22.9 60.5 102 104 A Q H < S+ 0 0 69 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.846 132.3 14.6 -71.1 -37.4 12.1 23.9 57.8 103 105 A N >< - 0 0 34 -4,-1.8 3,-2.5 -5,-0.1 -1,-0.3 -0.727 63.7-169.2-142.8 96.2 10.3 20.5 57.9 104 106 A P T 3 S+ 0 0 112 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.648 87.9 61.8 -55.9 -22.1 11.1 18.3 61.0 105 107 A R T 3 S+ 0 0 215 2,-0.1 -5,-0.1 -5,-0.0 -29,-0.0 0.393 75.1 131.3 -86.3 0.7 9.3 15.3 59.3 106 108 A L < - 0 0 4 -3,-2.5 2,-0.6 -6,-0.2 -29,-0.2 -0.280 50.0-145.7 -53.1 135.0 11.9 15.3 56.4 107 109 A V E -d 77 0A 35 -31,-2.6 -29,-1.7 36,-0.0 2,-0.7 -0.935 7.3-155.2-108.8 119.2 13.4 11.9 55.8 108 110 A Y E -d 78 0A 1 -2,-0.6 35,-2.6 33,-0.3 36,-1.9 -0.839 4.5-165.0 -97.6 114.3 17.0 11.9 54.6 109 111 A V E -de 79 144A 0 -31,-3.2 -29,-1.8 -2,-0.7 2,-0.5 -0.881 13.4-172.7 -98.7 111.0 17.9 8.8 52.6 110 112 A C E -de 80 145A 0 34,-2.5 36,-1.4 -2,-0.7 -29,-0.2 -0.914 19.7-164.1-112.2 121.1 21.8 8.7 52.5 111 113 A D - 0 0 10 -31,-2.5 2,-2.1 -2,-0.5 34,-0.1 -0.886 18.5-151.2 -99.1 105.2 23.7 6.2 50.3 112 114 A P - 0 0 0 0, 0.0 2,-0.4 0, 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-5,-0.3 -0.703 13.7-170.3 -94.9 148.3 37.8 -4.0 49.4 123 125 A S E -J 116 0B 71 -7,-2.9 -7,-2.0 -2,-0.3 2,-0.1 -0.996 19.7-123.7-138.3 141.8 39.1 -0.7 48.1 124 126 A M E -J 115 0B 56 -2,-0.3 -9,-0.3 -9,-0.2 4,-0.1 -0.484 14.7-170.1 -80.3 152.1 37.8 2.9 48.5 125 127 A Y + 0 0 114 -11,-2.9 -10,-0.2 -2,-0.1 -1,-0.1 -0.046 68.5 66.6-135.2 37.6 37.0 5.0 45.5 126 128 A V S S- 0 0 9 -12,-0.5 -42,-0.1 -44,-0.0 5,-0.1 -0.939 100.5 -84.2-145.6 150.4 36.5 8.3 47.3 127 129 A P > - 0 0 30 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.327 39.7-120.1 -60.6 149.1 39.2 10.3 49.0 128 130 A E T > S+ 0 0 153 1,-0.3 3,-1.1 2,-0.2 -3,-0.0 0.817 105.3 73.2 -60.5 -33.2 39.8 9.1 52.6 129 131 A D T 3> S+ 0 0 85 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.543 85.6 70.4 -62.0 -1.8 39.0 12.5 54.1 130 132 A L H <> S+ 0 0 0 -3,-1.7 4,-2.8 1,-0.2 3,-0.3 0.902 82.8 68.4 -79.2 -42.8 35.4 11.7 53.4 131 133 A L H <> S+ 0 0 29 -3,-1.1 4,-3.0 -4,-0.4 5,-0.3 0.831 98.1 50.0 -44.6 -47.4 35.0 9.0 55.9 132 134 A P H > S+ 0 0 55 0, 0.0 4,-3.1 0, 0.0 5,-0.5 0.937 111.9 48.4 -61.6 -44.5 35.3 11.3 58.9 133 135 A V H X>S+ 0 0 18 -4,-0.7 4,-3.1 -3,-0.3 5,-1.9 0.939 113.0 48.6 -61.0 -44.6 32.7 13.6 57.5 134 136 A Y H <>S+ 0 0 0 -4,-2.8 5,-2.9 3,-0.2 -1,-0.2 0.960 116.5 40.8 -61.0 -52.3 30.4 10.7 56.8 135 137 A K H <5S+ 0 0 78 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.903 128.9 30.3 -61.9 -45.6 30.7 9.2 60.3 136 138 A E H <5S+ 0 0 131 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.846 135.5 15.3 -87.4 -34.1 30.6 12.5 62.1 137 139 A K T X5S+ 0 0 122 -4,-3.1 4,-0.7 -5,-0.5 -3,-0.2 0.874 124.4 37.5-106.4 -54.1 28.4 14.7 60.0 138 140 A V H >> - 0 0 6 35,-0.3 4,-2.2 36,-0.2 5,-0.2 -0.268 46.3 -86.1 -82.5-176.3 27.1 -2.2 51.0 149 151 A Q H > S+ 0 0 8 36,-1.9 4,-2.3 2,-0.2 5,-0.2 0.924 127.5 52.4 -61.6 -48.4 29.3 -4.5 53.3 150 152 A F H > S+ 0 0 22 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.933 112.2 46.7 -52.7 -48.6 32.6 -2.6 52.8 151 153 A E H > S+ 0 0 6 -36,-0.3 4,-2.9 1,-0.2 5,-0.2 0.887 109.5 52.8 -64.6 -40.9 30.9 0.7 53.7 152 154 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 6,-0.4 0.893 112.5 46.7 -63.4 -34.6 29.2 -0.7 56.8 153 155 A E H X>S+ 0 0 20 -4,-2.3 4,-3.0 2,-0.2 5,-0.6 0.977 113.8 46.8 -69.8 -53.0 32.6 -2.0 57.9 154 156 A L H <5S+ 0 0 42 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.906 114.1 48.7 -52.2 -45.0 34.3 1.4 57.2 155 157 A L H <5S+ 0 0 4 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.850 120.9 33.4 -69.5 -35.1 31.6 3.3 59.0 156 158 A S H <5S- 0 0 16 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.708 101.1-127.6 -92.3 -21.7 31.5 1.2 62.1 157 159 A G T <5S+ 0 0 55 -4,-3.0 2,-0.3 1,-0.3 -3,-0.2 0.521 72.3 112.7 86.3 4.7 35.2 0.4 62.2 158 160 A R < - 0 0 150 -5,-0.6 -1,-0.3 -6,-0.4 -2,-0.2 -0.884 65.6-126.3-115.3 145.3 34.4 -3.4 62.4 159 161 A K - 0 0 122 -2,-0.3 2,-0.5 -3,-0.1 10,-0.1 -0.597 23.1-141.6 -81.8 147.0 35.0 -6.2 60.0 160 162 A I + 0 0 4 -2,-0.2 -7,-0.1 1,-0.1 3,-0.1 -0.951 34.4 156.3-114.7 113.7 32.0 -8.3 59.2 161 163 A H + 0 0 121 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.472 64.7 25.1-112.2 -5.8 32.5 -12.1 58.8 162 164 A S S > S- 0 0 34 1,-0.1 4,-2.4 26,-0.1 5,-0.1 -0.963 81.2-100.3-151.5 170.9 29.0 -13.4 59.5 163 165 A Q H > S+ 0 0 41 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.911 122.2 49.5 -58.3 -39.5 25.3 -12.6 59.6 164 166 A E H > S+ 0 0 106 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.895 110.0 48.0 -69.7 -39.6 25.5 -12.0 63.3 165 167 A E H > S+ 0 0 58 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.905 110.8 55.3 -64.9 -40.1 28.5 -9.6 63.1 166 168 A A H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.956 110.6 41.7 -54.4 -55.6 26.6 -7.8 60.4 167 169 A L H X S+ 0 0 29 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.782 110.7 57.9 -65.8 -26.6 23.5 -7.2 62.5 168 170 A R H X S+ 0 0 150 -4,-1.7 4,-1.2 -5,-0.2 3,-0.4 0.962 111.3 43.5 -64.5 -50.3 25.8 -6.3 65.4 169 171 A V H X S+ 0 0 3 -4,-2.9 4,-2.1 1,-0.2 3,-0.3 0.880 106.5 58.2 -64.9 -38.0 27.2 -3.6 63.0 170 172 A M H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.907 104.9 54.1 -60.7 -29.4 23.9 -2.5 61.8 171 173 A D H X S+ 0 0 67 -4,-1.5 4,-1.3 -3,-0.4 -1,-0.2 0.818 103.6 53.1 -70.5 -35.5 23.1 -1.8 65.4 172 174 A M H X S+ 0 0 66 -4,-1.2 4,-1.3 -3,-0.3 -1,-0.2 0.879 109.4 51.9 -66.3 -37.0 26.2 0.4 65.8 173 175 A L H >X S+ 0 0 0 -4,-2.1 4,-0.7 1,-0.2 3,-0.6 0.936 104.6 53.8 -66.9 -43.6 24.9 2.2 62.8 174 176 A H H >< S+ 0 0 3 -4,-2.2 3,-0.6 1,-0.3 -1,-0.2 0.838 107.0 53.4 -58.0 -32.9 21.4 2.8 64.3 175 177 A S H 3< S+ 0 0 94 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.797 98.1 61.9 -73.9 -28.5 23.2 4.3 67.3 176 178 A M H << S- 0 0 47 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.666 133.2 -88.3 -70.1 -12.3 25.1 6.7 65.1 177 179 A G S << S+ 0 0 31 -4,-0.7 -3,-0.1 -3,-0.6 -4,-0.1 -0.272 87.6 117.2 141.4 -57.4 21.6 7.9 64.3 178 180 A P - 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -35,-0.2 -0.156 41.3-159.5 -54.3 128.3 19.8 6.2 61.4 179 181 A D S S+ 0 0 68 -36,-0.5 25,-3.3 -37,-0.2 2,-0.5 0.717 81.4 45.9 -77.4 -21.2 16.5 4.3 62.1 180 182 A T E +fG 144 203A 10 -37,-1.5 -35,-2.1 23,-0.2 2,-0.4 -0.991 66.3 177.9-125.0 125.1 16.6 2.1 59.0 181 183 A V E -fG 145 202A 0 21,-3.0 21,-2.9 -2,-0.5 2,-0.4 -0.997 1.6-179.1-129.3 129.1 19.8 0.5 57.9 182 184 A V E - G 0 201A 0 -37,-2.1 2,-0.9 -2,-0.4 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