==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-SEP-12 4HAC . COMPND 2 MOLECULE: MEVALONATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA MAZEI; . AUTHOR N.ZHUANG,K.H.LEE . 620 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26002.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 439 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 18.1 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 . 32 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 36.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.1 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 0 0 0 2 0 3 0 2 1 2 0 3 1 2 0 0 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 2 4 2 3 1 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 . 0 0 2 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 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 -10 A H 0 0 246 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-120.5 21.3 -1.8 5.9 2 -9 A S - 0 0 97 1,-0.1 2,-0.1 2,-0.1 0, 0.0 0.505 360.0 -89.9 -60.7 176.3 24.1 -2.0 8.6 3 -8 A S - 0 0 78 2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.419 31.4-119.8 -73.8 153.3 26.9 0.3 9.8 4 -7 A G S S+ 0 0 84 -2,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.653 89.7 95.5 -64.6 -13.8 30.5 0.1 8.3 5 -6 A L - 0 0 144 1,-0.0 -2,-0.2 0, 0.0 0, 0.0 -0.633 60.4-160.3 -89.7 131.3 31.7 -0.8 11.8 6 -5 A V - 0 0 124 -2,-0.4 -2,-0.0 0, 0.0 -1,-0.0 -0.935 21.7-132.9-107.8 112.4 32.2 -4.4 12.9 7 -4 A P - 0 0 79 0, 0.0 2,-0.3 0, 0.0 4,-0.1 -0.134 12.6-131.8 -58.0 157.0 32.2 -4.8 16.7 8 -3 A R - 0 0 240 2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.867 66.7 -10.2-110.1 144.5 34.9 -6.9 18.5 9 -2 A G S S+ 0 0 63 -2,-0.3 2,-0.1 2,-0.0 0, 0.0 -0.213 113.2 21.5 64.1-145.3 33.8 -9.4 21.1 10 -1 A S - 0 0 82 1,-0.1 2,-0.2 39,-0.0 -2,-0.1 -0.274 66.2-163.0 -75.8 129.5 30.4 -9.8 22.6 11 0 A H - 0 0 106 1,-0.1 39,-0.1 -4,-0.1 2,-0.1 -0.618 29.5 -92.7-100.0 159.2 27.3 -8.4 20.8 12 1 A M - 0 0 80 -2,-0.2 2,-0.3 37,-0.1 37,-0.2 -0.441 42.8-148.6 -54.4 138.3 23.7 -7.5 21.7 13 2 A V E -A 48 0A 30 35,-2.4 35,-2.7 -2,-0.1 2,-0.4 -0.894 12.3-167.4-115.1 152.1 21.4 -10.4 21.0 14 3 A S E +A 47 0A 13 -2,-0.3 298,-2.6 33,-0.2 2,-0.3 -0.993 9.2 175.3-145.3 125.8 17.8 -10.1 20.0 15 4 A C E -AB 46 311A 1 31,-2.2 31,-3.1 -2,-0.4 2,-0.3 -0.955 8.7-166.0-126.4 151.1 14.9 -12.7 19.8 16 5 A S E -AB 45 310A 5 294,-1.8 294,-1.7 -2,-0.3 29,-0.2 -0.965 2.5-166.3-131.7 155.4 11.2 -12.1 19.0 17 6 A A E -A 44 0A 0 27,-1.9 27,-2.5 -2,-0.3 292,-0.1 -0.986 20.2-123.9-141.1 143.5 8.1 -14.3 19.4 18 7 A P E -A 43 0A 1 0, 0.0 25,-0.2 0, 0.0 23,-0.1 -0.403 7.1-129.0 -93.5 159.8 4.6 -13.9 17.8 19 8 A G E -A 40 0A 2 23,-2.2 21,-2.2 21,-0.6 2,-0.3 -0.257 31.2-147.3 -81.1-175.7 1.0 -13.5 19.0 20 9 A K E -A 39 0A 4 83,-2.2 2,-0.3 19,-0.3 19,-0.2 -0.984 13.7-151.7-155.1 152.5 -1.7 -15.7 17.5 21 10 A I E -A 38 0A 0 17,-2.4 17,-3.2 -2,-0.3 2,-0.7 -0.886 28.3-114.6-119.3 169.1 -5.3 -15.9 16.6 22 11 A Y E -A 37 0A 32 -2,-0.3 15,-0.3 15,-0.2 3,-0.2 -0.892 18.6-172.2-101.7 118.1 -7.6 -18.9 16.4 23 12 A L E S- 0 0 2 13,-2.0 2,-0.3 -2,-0.7 -1,-0.2 0.944 78.1 -8.1 -64.2 -50.3 -8.9 -19.8 13.0 24 13 A F E S+A 36 0A 0 12,-1.5 12,-3.0 -3,-0.1 -1,-0.3 -0.996 113.4 33.0-139.5 150.9 -11.2 -22.4 14.7 25 14 A G >> + 0 0 1 -2,-0.3 3,-1.1 10,-0.2 4,-0.7 0.513 49.1 159.0 101.0 6.8 -11.9 -24.0 17.9 26 15 A E T 34 S+ 0 0 7 1,-0.2 2,-0.7 241,-0.2 -1,-0.2 -0.281 79.0 20.3 -51.8 152.2 -11.3 -21.6 20.9 27 16 A H T 34 S+ 0 0 28 1,-0.1 -1,-0.2 6,-0.0 4,-0.1 0.073 111.1 78.5 69.5 -26.8 -13.3 -22.9 23.9 28 17 A A T X4>S+ 0 0 0 -3,-1.1 5,-1.7 -2,-0.7 3,-1.2 0.700 72.6 74.3 -87.1 -16.2 -13.6 -26.4 22.5 29 18 A V G ><5S+ 0 0 44 -4,-0.7 3,-2.3 1,-0.3 4,-0.2 0.940 90.2 57.3 -61.9 -44.6 -10.1 -27.8 23.4 30 19 A V G 3 5S+ 0 0 123 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.636 104.1 56.7 -62.4 -10.5 -10.8 -28.1 27.1 31 20 A Y G < 5S- 0 0 72 -3,-1.2 -1,-0.3 -4,-0.1 -2,-0.2 0.084 129.7 -93.1-105.2 21.4 -13.7 -30.4 26.0 32 21 A G T < 5S+ 0 0 70 -3,-2.3 -3,-0.2 1,-0.2 2,-0.2 0.602 85.6 128.2 77.1 15.8 -11.5 -32.9 24.0 33 22 A E < - 0 0 25 -5,-1.7 2,-0.2 -4,-0.2 -1,-0.2 -0.527 57.8-106.8 -99.0 166.1 -11.9 -31.1 20.7 34 23 A T - 0 0 12 -2,-0.2 180,-0.3 128,-0.1 2,-0.3 -0.654 30.8-176.8 -91.0 149.6 -9.5 -29.9 18.0 35 24 A A E - C 0 161A 0 126,-2.3 126,-2.6 -2,-0.2 2,-0.4 -0.855 19.5-137.9-127.6 165.3 -8.6 -26.2 17.2 36 25 A I E -AC 24 160A 1 -12,-3.0 -13,-2.0 -2,-0.3 -12,-1.5 -0.982 20.2-170.6-128.0 121.8 -6.4 -24.5 14.6 37 26 A A E -AC 22 159A 0 122,-2.9 122,-2.5 -2,-0.4 2,-0.4 -0.766 6.4-157.9-106.9 155.2 -4.3 -21.5 15.8 38 27 A C E -AC 21 158A 1 -17,-3.2 -17,-2.4 -2,-0.3 120,-0.3 -0.940 12.5-139.3-136.4 116.7 -2.4 -19.2 13.5 39 28 A A E -A 20 0A 0 118,-3.3 266,-2.0 -2,-0.4 -19,-0.3 -0.426 26.3-153.5 -69.9 143.6 0.6 -17.2 14.7 40 29 A V E -AD 19 304A 2 -21,-2.2 2,-2.4 264,-0.3 -21,-0.6 -0.833 28.2 -95.7-121.6 169.8 0.6 -13.7 13.2 41 30 A E E S+ 0 0 72 262,-3.1 2,-0.4 -2,-0.3 -21,-0.1 -0.272 87.0 106.4 -80.9 56.0 3.2 -11.0 12.5 42 31 A L E - 0 0 12 -2,-2.4 -23,-2.2 -23,-0.2 2,-0.3 -0.968 54.9-176.5-127.6 116.0 2.8 -9.1 15.8 43 32 A R E -A 18 0A 24 -2,-0.4 53,-1.9 -25,-0.2 2,-0.5 -0.846 32.8-139.6-121.7 150.0 5.8 -9.8 17.9 44 33 A T E -AE 17 95A 2 -27,-2.5 -27,-1.9 -2,-0.3 2,-0.4 -0.942 28.8-157.4 -96.9 127.1 7.4 -9.2 21.3 45 34 A R E -AE 16 94A 98 49,-3.1 49,-2.4 -2,-0.5 2,-0.5 -0.901 9.2-166.6-109.5 137.1 11.1 -8.5 21.0 46 35 A V E -AE 15 93A 0 -31,-3.1 -31,-2.2 -2,-0.4 2,-0.4 -0.977 3.7-165.6-124.4 118.6 13.6 -9.0 23.8 47 36 A R E -AE 14 92A 80 45,-2.9 45,-2.6 -2,-0.5 2,-0.3 -0.850 10.9-169.8-102.0 142.6 17.1 -7.6 23.4 48 37 A A E +AE 13 91A 0 -35,-2.7 -35,-2.4 -2,-0.4 2,-0.3 -0.989 12.9 173.4-141.3 139.2 19.8 -8.8 25.8 49 38 A E E - E 0 90A 77 41,-1.4 41,-2.6 -2,-0.3 -37,-0.1 -0.967 41.6 -94.6-140.6 152.0 23.5 -7.7 26.7 50 39 A L E + E 0 89A 102 -2,-0.3 2,-0.3 39,-0.2 39,-0.2 -0.431 52.0 164.1 -67.1 146.0 25.9 -8.9 29.4 51 40 A N - 0 0 68 37,-0.6 37,-0.0 -2,-0.1 4,-0.0 -0.961 48.3-119.2-158.8 154.7 25.8 -6.7 32.5 52 41 A D S S+ 0 0 162 -2,-0.3 2,-0.3 36,-0.1 -2,-0.0 0.713 98.8 22.3 -75.4 -20.7 27.1 -6.9 36.1 53 42 A S S S- 0 0 67 35,-0.1 36,-0.9 11,-0.0 2,-0.5 -0.798 93.0 -86.4-131.2-173.5 23.5 -6.6 37.3 54 43 A I E +f 89 0A 21 -2,-0.3 2,-0.4 34,-0.3 11,-0.3 -0.824 40.1 168.6-101.3 130.1 20.0 -7.1 36.2 55 44 A T E -f 90 0A 12 34,-2.2 36,-3.3 -2,-0.5 2,-0.4 -0.997 10.6-171.4-140.7 128.3 18.1 -4.3 34.3 56 45 A I E -fG 91 63A 0 7,-2.9 7,-3.1 -2,-0.4 2,-0.4 -0.996 5.9-173.8-125.8 122.1 14.8 -4.8 32.5 57 46 A Q E +fG 92 62A 77 34,-2.8 36,-3.0 -2,-0.4 2,-0.3 -0.969 19.2 141.8-119.0 130.5 13.5 -2.0 30.4 58 47 A S E > - G 0 61A 21 3,-1.7 3,-2.7 -2,-0.4 36,-0.1 -0.910 68.0 -67.2-154.4-178.3 10.0 -2.1 28.8 59 48 A Q T 3 S+ 0 0 146 34,-0.3 3,-0.1 1,-0.3 35,-0.1 0.603 130.0 56.7 -53.8 -16.2 6.9 0.1 27.9 60 49 A I T 3 S- 0 0 111 1,-0.4 -1,-0.3 9,-0.1 2,-0.2 0.537 119.5 -94.2 -92.9 -9.7 6.3 0.4 31.7 61 50 A G E < -G 58 0A 35 -3,-2.7 -3,-1.7 2,-0.0 2,-0.4 -0.729 50.9 -51.8 125.1-173.7 9.8 1.9 32.6 62 51 A R E +G 57 0A 173 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.874 57.3 162.5-103.0 126.9 13.3 0.6 33.8 63 52 A T E -G 56 0A 21 -7,-3.1 -7,-2.9 -2,-0.4 3,-0.1 -0.901 36.8-119.6-130.9 166.8 13.7 -1.8 36.9 64 53 A G S S- 0 0 40 -2,-0.3 2,-0.2 1,-0.2 -8,-0.2 0.017 80.1 -39.6 -72.8-160.6 16.1 -4.3 38.5 65 54 A L S S+ 0 0 63 -11,-0.3 2,-0.3 -10,-0.1 -1,-0.2 -0.564 80.0 172.3 -64.9 134.4 14.9 -7.9 38.8 66 55 A D > - 0 0 40 4,-0.3 4,-2.4 -2,-0.2 8,-0.3 -0.825 32.3-167.5-161.1 102.7 11.2 -7.4 39.8 67 56 A F T 4 S+ 0 0 88 -2,-0.3 8,-0.1 2,-0.2 -1,-0.1 0.451 91.9 45.4 -74.2 -3.6 8.5 -10.0 40.1 68 57 A E T 4 S+ 0 0 166 2,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.819 122.1 31.6-100.7 -55.5 5.6 -7.5 40.3 69 58 A K T 4 S+ 0 0 127 1,-0.3 -2,-0.2 2,-0.1 -9,-0.1 0.839 138.4 22.8 -74.3 -37.7 6.5 -5.1 37.5 70 59 A H S X S+ 0 0 11 -4,-2.4 4,-2.2 1,-0.1 -4,-0.3 -0.537 73.1 160.2-124.1 70.9 8.2 -7.7 35.3 71 60 A P H > S+ 0 0 45 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.883 74.3 39.7 -63.3 -39.8 6.7 -11.0 36.4 72 61 A Y H > S+ 0 0 35 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.950 117.4 44.7 -76.9 -48.8 7.4 -13.1 33.3 73 62 A V H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.920 116.5 49.9 -58.9 -36.1 10.9 -11.8 32.5 74 63 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 -8,-0.3 -1,-0.2 0.897 110.4 48.3 -74.6 -39.4 11.8 -12.1 36.2 75 64 A A H X S+ 0 0 4 -4,-1.9 4,-2.7 -5,-0.3 -1,-0.2 0.831 110.2 53.7 -63.3 -38.0 10.5 -15.7 36.4 76 65 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.968 110.8 44.0 -59.8 -55.6 12.5 -16.6 33.3 77 66 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.916 114.8 51.3 -55.1 -47.0 15.8 -15.3 34.7 78 67 A E H < S+ 0 0 98 -4,-2.3 4,-0.4 2,-0.2 -2,-0.2 0.948 114.6 41.5 -56.7 -51.6 15.0 -17.0 38.1 79 68 A K H >< S+ 0 0 68 -4,-2.7 3,-1.5 1,-0.2 4,-0.3 0.935 115.1 49.6 -62.8 -51.1 14.2 -20.4 36.5 80 69 A X H >X S+ 0 0 4 -4,-2.9 3,-1.8 1,-0.3 4,-1.8 0.847 97.6 68.7 -60.3 -34.0 17.1 -20.3 34.0 81 70 A R T 3< S+ 0 0 97 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.692 86.4 71.6 -54.3 -19.1 19.7 -19.4 36.7 82 71 A K T <4 S+ 0 0 162 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.684 109.3 28.8 -77.9 -20.2 19.2 -22.9 38.2 83 72 A S T <4 S+ 0 0 86 -3,-1.8 -2,-0.2 1,-0.3 -1,-0.1 0.806 132.0 19.3-103.8 -49.0 21.0 -24.6 35.3 84 73 A I S < S- 0 0 54 -4,-1.8 -1,-0.3 2,-0.0 39,-0.0 -0.983 86.5-107.6-122.9 135.4 23.5 -21.9 34.1 85 74 A P - 0 0 95 0, 0.0 2,-0.4 0, 0.0 3,-0.1 -0.256 24.4-168.7 -53.4 139.0 24.7 -18.9 36.1 86 75 A I - 0 0 3 1,-0.1 3,-0.1 -5,-0.1 -5,-0.1 -0.872 5.2-178.8-126.1 96.1 23.4 -15.5 35.0 87 76 A N - 0 0 139 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.940 67.5 -36.0 -61.8 -45.5 25.6 -13.1 36.9 88 77 A G - 0 0 3 -35,-0.1 -37,-0.6 -3,-0.1 -1,-0.3 -0.968 58.5-170.1-167.4 168.6 23.7 -10.2 35.3 89 78 A V E -Ef 50 54A 0 -36,-0.9 -34,-2.2 -2,-0.3 2,-0.5 -0.954 20.8-135.5-164.3 147.2 22.0 -9.0 32.1 90 79 A F E -Ef 49 55A 44 -41,-2.6 -41,-1.4 -2,-0.3 2,-0.5 -0.960 30.9-172.9-109.5 117.9 20.4 -5.9 30.6 91 80 A L E -Ef 48 56A 0 -36,-3.3 -34,-2.8 -2,-0.5 2,-0.4 -0.925 12.7-168.0-119.1 126.6 17.1 -6.7 28.9 92 81 A T E -Ef 47 57A 15 -45,-2.6 -45,-2.9 -2,-0.5 2,-0.5 -0.977 9.1-165.1-116.0 132.5 14.9 -4.5 26.8 93 82 A V E +E 46 0A 16 -36,-3.0 -34,-0.3 -2,-0.4 2,-0.3 -0.972 13.7 165.1-118.0 126.2 11.4 -5.5 25.9 94 83 A D E -E 45 0A 36 -49,-2.4 -49,-3.1 -2,-0.5 2,-0.3 -0.953 11.6-168.5-132.0 161.6 9.2 -4.0 23.2 95 84 A S E -E 44 0A 32 -2,-0.3 -51,-0.2 -51,-0.3 -2,-0.0 -0.998 33.0-168.4-154.1 146.6 5.9 -5.3 21.6 96 85 A D + 0 0 106 -53,-1.9 -52,-0.1 -2,-0.3 -1,-0.1 0.247 66.5 109.0-104.8 -4.0 3.4 -4.9 18.7 97 86 A I - 0 0 16 -54,-0.3 2,-0.3 8,-0.1 7,-0.0 -0.708 65.0-136.1 -84.4 128.1 0.9 -7.3 20.4 98 87 A P - 0 0 36 0, 0.0 7,-0.2 0, 0.0 5,-0.1 -0.667 35.2 -92.9 -73.0 140.1 -2.3 -5.9 21.9 99 88 A V S S- 0 0 119 -2,-0.3 0, 0.0 5,-0.1 0, 0.0 -0.158 74.7 -16.8 -58.6 136.6 -3.4 -7.2 25.4 100 89 A G > + 0 0 45 1,-0.1 3,-2.2 174,-0.1 4,-0.2 -0.190 69.6 111.7 73.3-157.0 -5.8 -10.1 25.9 101 90 A S T 3 S- 0 0 15 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.783 112.4 -76.2 51.1 38.9 -8.3 -11.9 23.6 102 91 A G T 3 S+ 0 0 26 167,-0.1 -1,-0.3 1,-0.1 -82,-0.1 0.739 97.0 139.6 39.6 30.4 -5.9 -14.9 23.8 103 92 A L < - 0 0 2 -3,-2.2 -83,-2.2 -5,-0.1 -2,-0.1 0.804 66.9-120.9 -67.8 -25.3 -3.7 -12.9 21.4 104 93 A G > + 0 0 12 -85,-0.2 4,-2.6 -4,-0.2 5,-0.1 0.820 58.3 151.3 100.6 37.8 -0.7 -14.2 23.5 105 94 A S H > S+ 0 0 35 -7,-0.2 4,-1.9 1,-0.2 5,-0.2 0.893 79.2 45.1 -67.2 -41.9 1.2 -11.3 24.9 106 95 A S H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.863 113.4 50.4 -68.3 -40.8 2.4 -13.1 28.0 107 96 A A H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.916 109.8 51.4 -64.0 -46.2 3.3 -16.1 26.1 108 97 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.864 111.1 45.5 -58.5 -42.0 5.3 -14.0 23.6 109 98 A V H X S+ 0 0 20 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.917 113.9 51.5 -69.7 -39.5 7.4 -12.1 26.2 110 99 A T H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.940 115.0 40.2 -57.6 -52.4 8.0 -15.5 28.0 111 100 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.913 115.3 50.9 -68.8 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174 B T H > S+ 0 0 93 -2,-0.6 4,-1.8 1,-0.2 5,-0.2 0.867 98.1 50.9 -55.3 -39.7 -38.2 -16.8 2.6 495 175 B K H > S+ 0 0 172 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.895 107.2 51.6 -64.5 -44.4 -37.3 -18.9 -0.5 496 176 B E H > S+ 0 0 135 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.806 113.3 45.0 -64.5 -31.7 -33.7 -17.5 -0.9 497 177 B L H X S+ 0 0 21 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.811 111.5 49.2 -84.5 -34.8 -32.9 -18.2 2.8 498 178 B V H X S+ 0 0 60 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.939 112.4 54.1 -62.6 -44.4 -34.4 -21.7 2.8 499 179 B A H X S+ 0 0 53 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.823 110.7 43.7 -52.8 -41.0 -32.2 -22.0 -0.4 500 180 B N H X S+ 0 0 94 -4,-1.2 4,-2.3 2,-0.2 5,-0.3 0.886 110.4 52.7 -79.9 -35.3 -29.1 -20.9 1.4 501 181 B V H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 3,-0.5 1.000 112.9 46.8 -56.2 -60.7 -29.6 -23.1 4.5 502 182 B R H X S+ 0 0 152 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.850 112.5 50.7 -47.1 -44.3 -30.0 -26.1 2.2 503 183 B Q H X S+ 0 0 102 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.884 109.7 46.8 -63.5 -45.5 -26.8 -25.1 0.2 504 184 B L H X S+ 0 0 27 -4,-2.3 4,-1.9 -3,-0.5 8,-0.2 0.868 110.8 56.6 -62.9 -35.9 -24.5 -24.7 3.2 505 185 B R H < S+ 0 0 55 -4,-2.5 -2,-0.2 -5,-0.3 7,-0.2 0.909 106.6 48.6 -61.5 -38.9 -26.0 -28.0 4.2 506 186 B E H < S+ 0 0 108 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.836 110.9 49.6 -70.6 -34.2 -24.9 -29.5 0.8 507 187 B S H < S+ 0 0 56 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.839 128.0 20.8 -76.4 -34.4 -21.3 -28.1 1.1 508 188 B Y S >X S+ 0 0 20 -4,-1.9 4,-2.8 -5,-0.2 3,-1.2 -0.468 71.3 160.5-135.2 65.4 -20.6 -29.4 4.6 509 189 B P H 3> S+ 0 0 43 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.821 75.2 54.6 -50.5 -43.1 -23.1 -32.2 5.3 510 190 B D H 34 S+ 0 0 113 1,-0.2 -298,-0.1 2,-0.1 -5,-0.0 0.717 118.1 37.4 -71.4 -17.2 -21.2 -33.8 8.2 511 191 B L H <> S+ 0 0 0 -3,-1.2 4,-0.7 -6,-0.2 -1,-0.2 0.865 119.0 42.3 -96.8 -49.7 -21.2 -30.4 9.9 512 192 B I H X S+ 0 0 0 -4,-2.8 4,-1.6 -8,-0.2 3,-0.3 0.840 106.3 60.5 -73.7 -36.9 -24.6 -28.8 9.1 513 193 B E H X S+ 0 0 77 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.899 103.7 50.4 -59.7 -45.6 -26.9 -32.0 9.7 514 194 B P H > S+ 0 0 35 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.798 105.0 59.7 -61.2 -31.0 -25.9 -32.4 13.3 515 195 B L H X S+ 0 0 0 -4,-0.7 4,-2.0 -3,-0.3 -2,-0.2 0.924 105.4 46.7 -64.4 -45.3 -26.7 -28.6 13.8 516 196 B X H X S+ 0 0 5 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.901 109.9 55.9 -59.5 -41.7 -30.3 -29.2 12.7 517 197 B T H X S+ 0 0 60 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.940 107.2 48.5 -53.8 -46.9 -30.2 -32.2 15.0 518 198 B S H X S+ 0 0 3 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.817 108.9 51.7 -65.2 -35.0 -29.2 -29.9 17.9 519 199 B I H X S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.942 109.6 51.7 -64.6 -44.9 -32.0 -27.3 17.1 520 200 B G H >X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 3,-0.6 0.922 105.9 55.5 -50.4 -46.6 -34.4 -30.4 17.2 521 201 B K H 3X S+ 0 0 57 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.847 97.4 63.2 -56.0 -41.7 -33.0 -31.2 20.6 522 202 B I H 3X S+ 0 0 0 -4,-1.6 4,-3.1 1,-0.2 -1,-0.2 0.902 103.0 49.1 -52.6 -43.8 -33.8 -27.7 21.9 523 203 B S H S+ 0 0 27 -4,-0.9 5,-1.8 2,-0.2 4,-0.4 0.815 106.4 56.1 -77.0 -31.2 -39.6 -26.3 30.4 530 210 B V H ><5S+ 0 0 3 -4,-2.7 3,-1.1 3,-0.2 -2,-0.2 0.946 107.4 50.9 -63.1 -43.4 -42.9 -25.1 28.9 531 211 B L H 3<5S+ 0 0 73 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.932 114.2 41.3 -60.1 -45.7 -44.8 -27.6 31.1 532 212 B S T 3<5S- 0 0 86 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.414 107.6-124.2 -85.0 3.5 -43.0 -26.4 34.3 533 213 B G T < 5 + 0 0 24 -3,-1.1 2,-1.6 -4,-0.4 3,-0.2 0.792 54.1 154.3 60.0 28.7 -43.2 -22.7 33.4 534 214 B D >< + 0 0 59 -5,-1.8 4,-1.8 1,-0.2 3,-0.4 -0.598 9.5 168.2 -87.4 82.5 -39.5 -22.1 33.7 535 215 B Y H > + 0 0 49 -2,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.826 68.7 63.2 -68.5 -33.0 -39.4 -19.1 31.3 536 216 B A H > S+ 0 0 37 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.894 108.5 41.7 -58.3 -42.6 -35.8 -18.1 32.3 537 217 B S H > S+ 0 0 9 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.834 110.7 55.4 -75.3 -38.8 -34.5 -21.5 31.0 538 218 B I H X S+ 0 0 1 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.886 110.1 49.2 -51.4 -48.1 -36.8 -21.3 27.9 539 219 B G H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 35,-0.3 0.930 107.6 52.2 -57.1 -44.8 -35.1 -17.9 27.2 540 220 B R H X S+ 0 0 113 -4,-2.0 4,-1.7 1,-0.3 -2,-0.2 0.924 112.6 46.6 -62.9 -41.7 -31.6 -19.3 27.7 541 221 B L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.3 0.800 106.9 56.2 -66.4 -38.2 -32.5 -22.0 25.1 542 222 B X H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.912 107.1 51.5 -56.8 -40.7 -34.0 -19.5 22.7 543 223 B N H X S+ 0 0 41 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.860 109.1 48.9 -66.1 -40.3 -30.6 -17.7 22.9 544 224 B V H X S+ 0 0 4 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.917 110.3 51.5 -62.1 -43.1 -28.8 -20.9 22.1 545 225 B N H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.879 106.2 54.9 -62.7 -40.8 -31.2 -21.5 19.1 546 226 B Q H X S+ 0 0 3 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.923 106.9 51.0 -58.9 -38.5 -30.5 -17.9 17.8 547 227 B G H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -305,-0.2 0.932 108.7 50.9 -67.7 -40.2 -26.8 -18.7 17.8 548 228 B L H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.898 110.0 50.8 -66.5 -36.5 -27.5 -21.9 15.8 549 229 B L H X>S+ 0 0 0 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