==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-JUN-99 1QQ7 . COMPND 2 MOLECULE: PROTEIN (L-2-HALOACID DEHALOGENASE); . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOBACTER AUTOTROPHICUS; . AUTHOR I.S.RIDDER,H.J.ROZEBOOM,K.H.KALK,B.W.DIJKSTRA . 490 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18105.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 23 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 2 5 3 2 4 2 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 8 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 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 0 173 0, 0.0 2,-0.4 0, 0.0 244,-0.0 0.000 360.0 360.0 360.0 142.7 11.9 28.3 47.8 2 2 A I + 0 0 26 1,-0.2 165,-0.2 239,-0.1 164,-0.1 -0.508 360.0 164.4 -66.3 119.7 13.2 25.5 45.5 3 3 A K + 0 0 94 163,-2.9 106,-2.3 -2,-0.4 2,-0.3 0.571 62.4 30.7-111.1 -17.8 16.2 23.9 47.3 4 4 A A E -ab 109 167A 0 162,-1.8 164,-2.8 104,-0.2 2,-0.5 -0.999 57.4-151.2-146.0 145.0 16.5 20.7 45.3 5 5 A V E -ab 110 168A 0 104,-2.7 106,-2.1 -2,-0.3 2,-0.5 -0.971 20.6-165.6-115.6 113.6 15.7 19.5 41.7 6 6 A V E -ab 111 169A 0 162,-1.9 164,-2.8 -2,-0.5 2,-0.5 -0.892 7.7-150.8-108.2 125.6 14.9 15.8 41.7 7 7 A F E -ab 112 170A 0 104,-3.6 106,-2.2 -2,-0.5 164,-0.2 -0.818 13.2-134.8-105.3 131.9 14.9 13.9 38.4 8 8 A X - 0 0 0 162,-2.8 5,-0.5 -2,-0.5 106,-0.2 -0.437 24.9-153.6 -59.6 149.2 13.0 10.9 37.2 9 9 A A >>> + 0 0 0 104,-0.3 5,-2.2 3,-0.2 4,-1.5 0.897 66.0 62.6 -96.4 -70.2 15.5 8.6 35.4 10 10 A Y B 345S+f 14 0B 0 1,-0.3 -1,-0.2 2,-0.2 5,-0.1 -0.445 123.3 0.2 -71.5 116.0 14.0 6.4 32.7 11 11 A G T 345S+ 0 0 9 3,-2.8 -1,-0.3 -2,-0.4 4,-0.1 0.190 131.4 61.2 94.4 -16.2 12.5 8.5 29.9 12 12 A T T <45S+ 0 0 0 -3,-1.3 -3,-0.2 2,-0.1 -2,-0.2 0.835 123.6 6.4-107.1 -62.0 13.5 11.8 31.5 13 13 A L T <5S+ 0 0 0 -4,-1.5 82,-2.4 -5,-0.5 2,-0.4 0.740 133.7 50.3 -89.1 -28.5 17.3 11.9 31.9 14 14 A F B - 0 0 44 78,-2.6 3,-1.5 -2,-0.4 78,-0.5 -0.693 13.2-166.4 -85.5 110.5 16.4 7.6 26.5 16 16 A V G > S+ 0 0 9 -2,-0.7 3,-0.8 1,-0.3 -1,-0.2 0.634 86.4 68.0 -72.8 -12.3 14.6 4.3 26.7 17 17 A Q G > S+ 0 0 54 1,-0.2 3,-1.4 2,-0.1 -1,-0.3 0.662 78.5 83.9 -74.5 -16.0 14.6 4.1 22.9 18 18 A S G < + 0 0 39 -3,-1.5 3,-0.3 1,-0.3 -1,-0.2 0.396 68.0 77.3 -76.5 6.5 18.4 3.7 23.0 19 19 A V G X> + 0 0 3 -3,-0.8 4,-2.3 1,-0.2 3,-0.5 0.337 67.1 113.1 -85.7 7.0 18.2 -0.0 23.6 20 20 A A H <> S+ 0 0 42 -3,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.821 71.6 43.0 -49.1 -48.9 17.4 -0.0 19.8 21 21 A D H 3> S+ 0 0 110 -3,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.804 113.1 52.5 -76.4 -27.1 20.5 -1.8 18.6 22 22 A A H <> S+ 0 0 27 -3,-0.5 4,-1.4 2,-0.2 3,-0.4 0.912 113.1 44.0 -70.2 -43.0 20.5 -4.5 21.3 23 23 A T H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.845 106.1 60.8 -70.5 -34.9 16.9 -5.4 20.6 24 24 A E H < S+ 0 0 64 -4,-1.9 -1,-0.2 -5,-0.3 6,-0.2 0.753 106.6 48.5 -64.3 -23.6 17.4 -5.4 16.8 25 25 A R H < S+ 0 0 149 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.844 102.7 59.9 -81.7 -37.4 19.9 -8.1 17.5 26 26 A A H < S- 0 0 22 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.786 134.1 -0.7 -60.0 -27.0 17.5 -10.1 19.7 27 27 A Y S >< S- 0 0 66 -4,-1.3 3,-2.5 0, 0.0 -1,-0.3 -0.527 81.0-136.9-165.1 90.1 15.3 -10.2 16.6 28 28 A P T 3 S+ 0 0 95 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.225 93.8 24.3 -51.4 134.2 16.4 -8.6 13.3 29 29 A G T 3 S+ 0 0 49 -5,-0.1 4,-0.1 4,-0.0 -5,-0.1 0.233 117.1 67.0 93.7 -12.9 13.5 -6.7 11.8 30 30 A R <> + 0 0 42 -3,-2.5 4,-2.4 -6,-0.2 5,-0.2 0.153 56.4 112.6-128.2 18.0 11.7 -6.3 15.2 31 31 A G H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.912 80.6 50.4 -57.1 -45.8 13.9 -4.0 17.2 32 32 A E H > S+ 0 0 90 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.930 111.3 48.8 -59.6 -47.5 11.3 -1.2 17.2 33 33 A Y H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.936 113.0 46.1 -57.4 -51.1 8.6 -3.5 18.4 34 34 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.927 108.9 56.1 -60.7 -46.6 10.6 -5.0 21.2 35 35 A T H X S+ 0 0 3 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.899 113.1 41.2 -50.1 -46.0 11.9 -1.6 22.4 36 36 A Q H X S+ 0 0 5 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.929 117.7 42.9 -74.2 -48.7 8.3 -0.3 22.8 37 37 A V H X S+ 0 0 2 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.848 111.2 57.2 -67.9 -34.5 6.6 -3.4 24.3 38 38 A W H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.3 -1,-0.2 0.958 111.2 42.1 -59.3 -50.7 9.6 -3.9 26.6 39 39 A R H X S+ 0 0 3 -4,-1.6 4,-2.2 -5,-0.3 -2,-0.2 0.924 115.6 49.7 -63.1 -45.4 9.2 -0.4 28.1 40 40 A Q H X S+ 0 0 4 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.939 115.2 42.1 -59.3 -50.1 5.4 -0.6 28.3 41 41 A K H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.814 109.2 59.2 -69.8 -31.1 5.4 -4.0 30.1 42 42 A Q H X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.943 110.9 42.7 -59.8 -47.8 8.3 -2.9 32.3 43 43 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 3,-0.3 0.955 113.9 50.5 -62.4 -51.9 6.1 -0.1 33.5 44 44 A E H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.900 109.7 51.2 -53.1 -44.3 3.0 -2.3 33.8 45 45 A Y H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.839 106.5 53.5 -67.8 -32.4 4.9 -4.9 35.8 46 46 A S H X S+ 0 0 0 -4,-1.5 4,-1.5 -3,-0.3 -1,-0.2 0.918 114.2 42.7 -66.3 -41.4 6.2 -2.3 38.3 47 47 A W H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.931 117.3 45.9 -67.7 -45.4 2.6 -1.1 38.9 48 48 A L H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 6,-0.2 0.892 111.8 48.6 -72.2 -41.8 1.1 -4.6 39.1 49 49 A R H X>S+ 0 0 35 -4,-2.5 5,-3.3 -5,-0.2 4,-0.6 0.930 116.6 44.8 -60.4 -44.6 3.7 -6.1 41.4 50 50 A A H ><5S+ 0 0 17 -4,-1.5 3,-1.1 -5,-0.3 -2,-0.2 0.944 114.4 47.0 -64.4 -48.9 3.4 -3.2 43.7 51 51 A L H 3<5S+ 0 0 8 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.832 111.8 51.6 -65.0 -32.0 -0.4 -3.1 43.7 52 52 A M H 3<5S- 0 0 8 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.619 115.2-117.4 -78.8 -12.7 -0.6 -6.8 44.2 53 53 A G T <<5S+ 0 0 48 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.801 82.7 117.2 77.4 29.8 1.7 -6.5 47.2 54 54 A R < - 0 0 126 -5,-3.3 -4,-0.1 -6,-0.2 -3,-0.1 -0.510 45.5-175.5-126.9 63.6 4.4 -8.6 45.5 55 55 A Y + 0 0 25 89,-0.2 2,-0.3 -5,-0.2 -9,-0.1 -0.287 12.6 167.5 -65.0 141.8 7.4 -6.3 45.1 56 56 A A - 0 0 18 -10,-0.1 5,-0.1 -2,-0.0 -6,-0.1 -0.940 43.7 -94.9-144.1 146.3 10.5 -7.4 43.3 57 57 A D >> - 0 0 50 -2,-0.3 4,-2.3 1,-0.1 3,-0.8 -0.054 37.8 -99.0 -68.0 170.5 13.1 -4.9 42.3 58 58 A F H 3> S+ 0 0 0 57,-0.5 4,-2.7 1,-0.3 5,-0.1 0.686 120.6 62.9 -64.7 -19.5 13.3 -3.2 38.9 59 59 A W H 3> S+ 0 0 48 2,-0.2 4,-1.7 3,-0.2 -1,-0.3 0.905 108.2 41.7 -71.6 -40.4 16.0 -5.6 37.7 60 60 A S H <> S+ 0 0 32 -3,-0.8 4,-2.8 2,-0.2 5,-0.2 0.945 116.0 50.3 -66.5 -47.2 13.6 -8.5 38.1 61 61 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.916 109.5 51.2 -56.1 -45.6 10.8 -6.4 36.6 62 62 A T H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.894 113.2 44.5 -60.9 -41.7 13.0 -5.4 33.6 63 63 A R H X S+ 0 0 50 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.871 112.6 51.2 -71.6 -38.6 13.9 -9.1 32.9 64 64 A E H X S+ 0 0 32 -4,-2.8 4,-2.3 2,-0.2 404,-0.2 0.914 110.9 48.9 -63.8 -41.7 10.3 -10.3 33.3 65 65 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.870 111.5 49.2 -66.2 -37.9 9.1 -7.6 30.9 66 66 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 -5,-0.2 5,-0.3 0.916 110.0 51.4 -65.9 -43.0 11.9 -8.6 28.4 67 67 A A H X S+ 0 0 21 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.917 111.6 47.6 -60.2 -44.4 10.9 -12.2 28.7 68 68 A Y H X S+ 0 0 6 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.942 112.2 49.6 -59.1 -49.7 7.2 -11.3 28.0 69 69 A T H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 3,-0.3 0.920 114.2 42.6 -59.3 -48.7 8.1 -9.2 25.0 70 70 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 3,-0.7 0.840 109.0 61.7 -68.7 -31.4 10.3 -11.8 23.4 71 71 A G H ><5S+ 0 0 11 -4,-2.0 3,-2.0 -5,-0.3 -1,-0.2 0.874 94.6 60.5 -59.9 -37.9 7.7 -14.4 24.2 72 72 A T H 3<5S+ 0 0 1 -4,-1.7 -1,-0.2 1,-0.3 376,-0.2 0.814 102.7 53.2 -60.4 -29.1 5.1 -12.6 22.1 73 73 A L T <<5S- 0 0 9 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.448 127.1-101.6 -84.7 -2.6 7.5 -13.2 19.1 74 74 A G T < 5S+ 0 0 46 -3,-2.0 -3,-0.2 1,-0.3 2,-0.2 0.521 78.7 135.1 94.9 7.0 7.6 -16.9 19.9 75 75 A L < - 0 0 53 -5,-2.1 -1,-0.3 -6,-0.1 -2,-0.1 -0.481 40.4-162.9 -86.6 158.4 11.0 -16.9 21.6 76 76 A E - 0 0 159 -2,-0.2 -9,-0.1 2,-0.0 -5,-0.0 -0.482 17.7-175.5-137.7 64.8 11.9 -18.6 24.8 77 77 A P - 0 0 33 0, 0.0 2,-0.1 0, 0.0 -6,-0.0 -0.303 21.2-125.0 -64.1 143.9 15.2 -17.1 26.1 78 78 A D > - 0 0 101 1,-0.1 4,-2.4 4,-0.0 3,-0.3 -0.375 30.4 -97.5 -83.5 169.2 16.8 -18.5 29.2 79 79 A E H > S+ 0 0 98 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.870 123.7 55.8 -54.3 -41.8 17.7 -16.5 32.3 80 80 A S H > S+ 0 0 90 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.918 110.1 44.6 -57.2 -47.1 21.3 -16.2 31.1 81 81 A F H > S+ 0 0 83 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.895 115.4 48.6 -63.8 -42.4 20.2 -14.6 27.8 82 82 A L H X S+ 0 0 12 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.928 110.8 48.1 -65.6 -48.0 17.7 -12.3 29.6 83 83 A A H < S+ 0 0 29 -4,-3.2 4,-0.5 -5,-0.2 -1,-0.2 0.872 114.3 49.7 -60.7 -36.5 20.1 -11.1 32.3 84 84 A D H >< S+ 0 0 118 -4,-1.7 3,-1.1 -5,-0.3 -2,-0.2 0.975 116.0 38.2 -65.7 -58.7 22.6 -10.4 29.5 85 85 A M H >< S+ 0 0 17 -4,-2.6 3,-2.3 1,-0.3 -2,-0.2 0.840 106.4 65.1 -64.9 -36.1 20.3 -8.4 27.2 86 86 A A G >< S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.3 -1,-0.3 0.693 82.2 80.8 -63.2 -16.9 18.5 -6.6 30.0 87 87 A Q G X S+ 0 0 78 -3,-1.1 3,-2.3 -4,-0.5 -1,-0.3 0.724 71.0 80.8 -59.7 -21.1 21.9 -5.0 30.7 88 88 A A G X S+ 0 0 4 -3,-2.3 3,-1.3 1,-0.3 -1,-0.3 0.810 83.6 61.7 -55.7 -28.6 21.0 -2.6 27.8 89 89 A Y G < S+ 0 0 0 -3,-2.0 3,-0.3 1,-0.3 -1,-0.3 0.629 98.4 55.0 -75.0 -12.0 18.8 -0.8 30.3 90 90 A N G < S+ 0 0 13 -3,-2.3 37,-0.3 -4,-0.2 -1,-0.3 0.287 107.9 51.2 -98.2 8.2 21.9 0.0 32.4 91 91 A R S < S+ 0 0 127 -3,-1.3 -2,-0.2 -4,-0.2 -1,-0.2 0.171 74.4 148.9-124.4 12.2 23.6 1.6 29.3 92 92 A L - 0 0 0 -3,-0.3 -76,-0.1 1,-0.1 -3,-0.1 -0.203 51.8-114.6 -53.3 137.6 20.8 4.0 28.2 93 93 A T - 0 0 80 -78,-0.5 -78,-2.6 -79,-0.1 -75,-0.2 -0.556 27.5-122.8 -76.0 132.8 22.1 7.1 26.6 94 94 A P B -G 14 0B 35 0, 0.0 -80,-0.3 0, 0.0 -81,-0.1 -0.438 37.5 -92.9 -69.8 150.6 21.5 10.3 28.5 95 95 A Y > - 0 0 46 -82,-2.4 3,-2.6 1,-0.1 4,-0.4 -0.435 41.3-113.3 -59.8 137.7 19.6 13.0 26.6 96 96 A P T 3 S+ 0 0 128 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.701 113.9 46.3 -48.7 -27.3 22.2 15.2 24.9 97 97 A D T 3> S+ 0 0 40 1,-0.1 4,-1.9 2,-0.1 5,-0.1 0.341 86.3 93.0-101.7 9.5 21.3 18.3 27.1 98 98 A A H <> S+ 0 0 0 -3,-2.6 4,-2.8 2,-0.2 5,-0.3 0.963 83.6 49.5 -63.7 -54.5 21.2 16.4 30.4 99 99 A A H > S+ 0 0 55 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.914 113.6 45.6 -52.8 -50.3 24.8 17.1 31.4 100 100 A Q H > S+ 0 0 115 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.900 111.9 53.0 -62.5 -42.4 24.6 20.8 30.7 101 101 A C H X S+ 0 0 1 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.963 111.4 45.1 -54.8 -55.2 21.3 21.1 32.5 102 102 A L H X S+ 0 0 0 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.864 111.1 54.0 -60.7 -38.3 22.7 19.4 35.6 103 103 A A H >< S+ 0 0 63 -4,-2.3 3,-0.7 -5,-0.3 -1,-0.2 0.918 110.4 45.5 -62.8 -44.3 25.8 21.6 35.5 104 104 A E H 3< S+ 0 0 83 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.686 104.0 65.0 -74.7 -17.9 23.8 24.8 35.4 105 105 A L H >< S+ 0 0 4 -4,-1.3 3,-1.3 -5,-0.2 -1,-0.2 0.698 85.8 132.9 -80.1 -20.3 21.5 23.6 38.2 106 106 A A T << + 0 0 42 -4,-0.8 3,-0.1 -3,-0.7 27,-0.0 -0.356 51.8 36.6 -58.4 151.5 24.3 23.6 40.7 107 107 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.991 99.8 91.7 -83.7 0.1 24.7 24.6 43.5 108 108 A L S < S- 0 0 45 -3,-1.3 -104,-0.2 1,-0.1 2,-0.1 -0.102 96.3 -90.6 -45.8 150.4 21.0 23.6 44.1 109 109 A K E -a 4 0A 103 -106,-2.3 -104,-2.7 -3,-0.1 2,-0.4 -0.483 48.4-161.7 -65.7 139.8 20.7 20.0 45.4 110 110 A R E +a 5 0A 31 -106,-0.2 25,-3.2 -2,-0.1 26,-1.1 -0.994 18.7 153.2-129.8 130.3 20.4 17.6 42.5 111 111 A A E -ac 6 136A 0 -106,-2.1 -104,-3.6 -2,-0.4 2,-0.4 -0.963 35.7-127.5-149.6 164.9 19.1 14.1 42.7 112 112 A I E -ac 7 137A 0 24,-1.7 26,-3.2 -2,-0.3 2,-0.4 -0.937 13.5-168.9-110.3 138.5 17.4 11.2 40.9 113 113 A L E + c 0 138A 0 -106,-2.2 -104,-0.3 -2,-0.4 2,-0.3 -0.974 28.9 161.6-121.7 116.3 14.4 9.5 42.3 114 114 A S E - 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0 0 19 -5,-0.1 -1,-0.1 -4,-0.1 -5,-0.1 -0.818 21.5-141.4 -97.0 120.2 -0.9 4.0 12.6 208 208 A A > - 0 0 43 -2,-0.6 4,-1.0 246,-0.1 246,-0.1 -0.111 20.0-109.5 -75.0 169.7 2.7 2.8 13.3 209 209 A P H > S+ 0 0 9 0, 0.0 4,-2.2 0, 0.0 3,-0.3 0.921 116.4 48.7 -65.5 -52.9 4.1 1.0 16.5 210 210 A L H > S+ 0 0 52 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.836 110.1 56.4 -57.3 -31.3 6.3 3.8 17.9 211 211 A T H > S+ 0 0 11 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.854 104.0 52.5 -67.5 -35.5 3.2 5.9 17.4 212 212 A M H X S+ 0 0 8 -4,-1.0 4,-1.6 -3,-0.3 -2,-0.2 0.933 110.1 46.9 -64.8 -47.0 1.2 3.5 19.5 213 213 A F H X S+ 0 0 22 -4,-2.2 4,-1.6 1,-0.2 5,-0.2 0.879 112.1 52.4 -59.4 -38.1 3.8 3.8 22.3 214 214 A K H X S+ 0 0 47 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.923 107.4 50.2 -67.9 -43.9 3.7 7.5 21.9 215 215 A A H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.818 117.5 41.2 -62.0 -31.9 -0.1 7.6 22.2 216 216 A L H < S+ 0 0 5 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.710 128.6 22.7 -88.4 -21.7 0.0 5.6 25.4 217 217 A R H < S+ 0 0 6 -4,-1.6 -43,-0.5 -3,-0.2 -3,-0.2 0.568 105.1 65.9-128.3 -14.2 3.0 7.1 27.1 218 218 A M S < S+ 0 0 55 -4,-2.2 -25,-0.3 -5,-0.2 2,-0.2 0.222 85.1 79.5-107.1 15.7 3.8 10.7 26.0 219 219 A R S S- 0 0 9 -4,-0.1 -45,-0.4 -5,-0.1 2,-0.2 -0.702 86.3 -94.0-115.4 166.1 0.8 12.7 27.3 220 220 A E - 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0 0 0 162,-2.6 5,-0.4 -2,-0.4 106,-0.2 -0.492 23.9-154.3 -65.9 150.8 -14.0 -11.5 35.9 255 9 B A >>> + 0 0 0 104,-0.4 5,-2.0 3,-0.2 4,-1.7 0.889 65.4 63.9 -97.1 -73.5 -16.4 -9.2 33.8 256 10 B Y B 345S+m 260 0D 0 1,-0.3 -1,-0.2 2,-0.2 5,-0.1 -0.393 123.4 0.3 -65.5 114.3 -14.6 -7.0 31.3 257 11 B G T 345S+ 0 0 9 3,-2.4 -1,-0.3 -2,-0.4 4,-0.1 0.127 130.8 62.0 96.7 -20.2 -12.9 -9.1 28.7 258 12 B T T <45S+ 0 0 0 -3,-1.4 -3,-0.2 158,-0.1 -2,-0.2 0.865 123.0 7.2-102.8 -59.9 -14.0 -12.4 30.2 259 13 B L T <5S+ 0 0 0 -4,-1.7 82,-2.3 -5,-0.4 2,-0.4 0.732 132.6 49.8 -91.3 -28.4 -17.8 -12.5 30.1 260 14 B F B - 0 0 45 78,-2.6 3,-1.6 -2,-0.4 78,-0.4 -0.679 14.4-166.4 -85.3 109.6 -16.4 -8.3 24.8 262 16 B V G > S+ 0 0 9 -2,-0.7 3,-0.6 1,-0.3 -1,-0.2 0.593 86.1 67.0 -72.6 -8.4 -14.7 -4.9 25.3 263 17 B Q G > S+ 0 0 58 1,-0.2 3,-1.6 2,-0.1 -1,-0.3 0.622 77.7 84.1 -82.3 -14.1 -14.3 -4.7 21.5 264 18 B S G < S+ 0 0 39 -3,-1.6 3,-0.3 1,-0.3 4,-0.3 0.412 70.8 75.0 -76.2 4.4 -18.1 -4.3 21.1 265 19 B V G <> S+ 0 0 3 -3,-0.6 4,-2.5 1,-0.2 -1,-0.3 0.410 71.7 100.9 -85.5 0.9 -17.9 -0.6 21.7 266 20 B A H <> S+ 0 0 35 -3,-1.6 4,-2.5 1,-0.2 5,-0.3 0.900 75.7 46.7 -54.8 -53.5 -16.5 -0.5 18.2 267 21 B D H > S+ 0 0 118 -3,-0.3 4,-3.0 1,-0.2 5,-0.2 0.887 114.8 48.4 -61.3 -38.3 -19.6 0.6 16.3 268 22 B A H > S+ 0 0 41 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.908 114.7 43.4 -67.6 -44.5 -20.4 3.4 18.9 269 23 B T H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.825 118.6 46.4 -69.4 -33.0 -16.8 4.8 18.9 270 24 B E H < S+ 0 0 72 -4,-2.5 6,-0.2 -5,-0.3 -2,-0.2 0.936 113.6 46.0 -74.0 -50.9 -16.7 4.5 15.1 271 25 B R H < S+ 0 0 184 -4,-3.0 -2,-0.2 -5,-0.3 -3,-0.2 0.901 114.0 50.5 -58.4 -41.9 -20.1 6.1 14.5 272 26 B A H < S+ 0 0 41 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.900 132.2 14.5 -62.4 -41.6 -19.2 8.8 17.0 273 27 B Y S >< S- 0 0 35 -4,-1.6 3,-1.9 -5,-0.1 4,-0.3 -0.734 85.3-141.3-139.8 89.8 -15.9 9.4 15.1 274 28 B P T 3 S+ 0 0 99 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.139 85.2 16.7 -49.4 136.1 -15.6 7.8 11.6 275 29 B G T 3 S+ 0 0 74 1,-0.1 4,-0.1 4,-0.0 -5,-0.1 0.316 116.5 70.2 85.5 -7.8 -12.2 6.4 10.8 276 30 B R <> + 0 0 64 -3,-1.9 4,-2.5 -6,-0.2 5,-0.2 0.325 61.4 104.1-125.2 5.7 -11.0 6.3 14.4 277 31 B G H > S+ 0 0 1 -4,-0.3 4,-2.8 1,-0.2 5,-0.2 0.927 80.9 46.4 -57.3 -55.3 -13.1 3.5 15.9 278 32 B E H > S+ 0 0 94 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.909 115.2 48.6 -57.1 -44.8 -10.6 0.7 16.1 279 33 B Y H > S+ 0 0 12 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.947 112.5 46.9 -59.2 -52.1 -8.0 3.0 17.5 280 34 B I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.916 108.6 55.9 -60.0 -44.4 -10.3 4.5 20.2 281 35 B T H X S+ 0 0 1 -4,-2.8 4,-1.5 -5,-0.2 -1,-0.2 0.908 112.4 42.0 -54.5 -44.9 -11.5 1.0 21.2 282 36 B Q H X S+ 0 0 5 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.956 118.0 42.1 -70.7 -52.2 -8.0 -0.2 21.9 283 37 B V H X S+ 0 0 2 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.852 110.7 58.5 -66.3 -34.5 -6.5 2.8 23.7 284 38 B W H X S+ 0 0 0 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.945 111.2 41.0 -59.0 -49.3 -9.7 3.4 25.7 285 39 B R H X S+ 0 0 4 -4,-1.5 4,-2.3 -5,-0.3 -2,-0.2 0.928 115.0 51.4 -65.8 -45.9 -9.4 -0.1 27.2 286 40 B Q H X S+ 0 0 3 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.930 115.0 41.3 -57.4 -48.0 -5.7 0.1 27.7 287 41 B K H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.805 108.9 59.8 -74.1 -27.6 -5.9 3.5 29.5 288 42 B Q H X S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.946 110.8 42.4 -61.2 -47.9 -9.0 2.4 31.5 289 43 B L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.946 113.8 51.0 -61.5 -50.8 -6.8 -0.4 32.9 290 44 B E H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.884 110.4 49.8 -55.1 -41.7 -3.8 1.8 33.5 291 45 B Y H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.841 107.1 53.3 -71.2 -33.7 -5.9 4.4 35.3 292 46 B S H X S+ 0 0 0 -4,-1.7 4,-1.6 -5,-0.2 -1,-0.2 0.931 115.0 42.6 -63.4 -43.3 -7.4 1.8 37.6 293 47 B W H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.919 117.4 45.0 -67.4 -45.2 -3.9 0.6 38.6 294 48 B L H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 6,-0.2 0.885 112.3 49.8 -73.1 -39.9 -2.4 4.0 38.9 295 49 B R H X>S+ 0 0 34 -4,-2.4 5,-2.9 -5,-0.2 4,-0.7 0.931 115.2 45.3 -61.7 -44.8 -5.2 5.6 40.9 296 50 B A H ><5S+ 0 0 18 -4,-1.6 3,-1.0 -5,-0.3 -2,-0.2 0.935 112.8 49.2 -63.8 -46.3 -5.2 2.7 43.3 297 51 B L H 3<5S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.826 110.9 51.2 -66.6 -30.3 -1.4 2.7 43.6 298 52 B M H 3<5S- 0 0 9 -4,-2.0 -1,-0.3 -149,-0.2 -2,-0.2 0.642 113.2-119.1 -75.5 -16.0 -1.4 6.4 44.3 299 53 B G T <<5S+ 0 0 55 -3,-1.0 -3,-0.2 -4,-0.7 2,-0.2 0.806 82.1 118.6 75.9 29.5 -4.0 6.0 47.0 300 54 B R < - 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