==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-MAY-12 4EZE . COMPND 2 MOLECULE: HALOACID DEHALOGENASE-LIKE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR Y.PATSKOVSKY,R.TORO,R.BHOSLE,B.HILLERICH,R.D.SEIDEL,E.WASHIN . 580 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24969.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 438 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 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 . 43 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 3.3 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 0 4 0 1 2 5 1 5 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 4 0 2 2 1 1 2 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 3 2 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 Q 0 0 220 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -11.0 20.3 7.3 53.0 2 0 A S + 0 0 77 2,-0.1 49,-2.1 49,-0.0 50,-0.3 -0.069 360.0 98.3 -87.7 28.9 16.8 8.6 52.5 3 1 A M E -A 50 0A 66 47,-0.3 2,-0.3 48,-0.1 45,-0.0 -0.852 61.9-157.5-113.3 151.4 18.7 11.8 52.3 4 2 A S E -A 49 0A 13 45,-3.2 45,-2.1 -2,-0.3 2,-0.4 -0.910 4.9-147.7-125.0 158.5 19.7 13.6 49.1 5 3 A I E -A 48 0A 22 -2,-0.3 71,-2.4 71,-0.3 2,-0.4 -0.983 10.9-175.4-129.0 136.8 22.5 16.1 48.6 6 4 A I E -AB 47 75A 0 41,-2.2 41,-2.8 -2,-0.4 2,-0.4 -1.000 11.3-153.7-130.5 130.2 22.6 19.1 46.2 7 5 A Y E -AB 46 74A 0 67,-2.8 67,-2.1 -2,-0.4 2,-0.5 -0.886 8.6-159.1-101.8 140.0 25.7 21.3 45.7 8 6 A F E -AB 45 73A 2 37,-2.7 37,-2.3 -2,-0.4 2,-0.5 -0.968 5.7-170.0-120.0 131.8 25.3 24.8 44.6 9 7 A I E + B 0 72A 3 63,-2.9 63,-2.4 -2,-0.5 2,-0.3 -0.972 21.1 148.1-124.4 125.3 28.0 26.9 42.9 10 8 A T - 0 0 7 -2,-0.5 61,-0.1 33,-0.4 33,-0.1 -0.968 52.1-132.0-149.1 156.6 27.6 30.5 42.4 11 9 A T S S+ 0 0 20 59,-0.4 3,-0.1 -2,-0.3 2,-0.1 0.572 80.2 104.1 -83.7 -10.2 29.5 33.9 42.2 12 10 A Q S S- 0 0 38 1,-0.2 -2,-0.2 319,-0.1 319,-0.2 -0.413 96.1 -84.3 -70.5 142.5 26.9 35.4 44.5 13 11 A D > - 0 0 32 317,-0.6 4,-2.2 1,-0.2 5,-0.2 -0.259 44.1-132.8 -42.8 126.5 27.8 36.0 48.1 14 12 A I H > S+ 0 0 9 315,-0.4 4,-2.5 1,-0.2 5,-0.2 0.861 101.8 49.6 -64.3 -34.1 27.1 32.6 49.6 15 13 A D H > S+ 0 0 81 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.943 112.2 48.2 -68.3 -45.1 25.1 33.8 52.6 16 14 A T H > S+ 0 0 69 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.889 113.9 49.2 -55.7 -39.4 23.0 36.1 50.4 17 15 A F H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.879 110.3 48.4 -74.4 -38.2 22.4 33.1 48.2 18 16 A Q H X S+ 0 0 41 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.969 114.9 45.7 -62.8 -51.0 21.5 30.8 50.9 19 17 A K H X S+ 0 0 127 -4,-2.7 4,-2.1 1,-0.2 3,-0.4 0.964 114.3 48.1 -54.6 -56.0 19.1 33.3 52.4 20 18 A K H X S+ 0 0 76 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.821 113.2 48.3 -54.5 -36.3 17.6 34.1 49.0 21 19 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.791 106.3 55.0 -84.9 -27.3 17.2 30.4 48.1 22 20 A Q H X S+ 0 0 64 -4,-2.3 4,-3.3 -3,-0.4 -2,-0.2 0.966 110.0 47.7 -63.6 -50.8 15.5 29.4 51.4 23 21 A E H < S+ 0 0 121 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.881 115.9 43.6 -58.8 -39.6 12.9 32.0 50.9 24 22 A T H < S+ 0 0 51 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.836 118.7 43.4 -77.0 -32.1 12.3 31.0 47.3 25 23 A L H < 0 0 39 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.809 360.0 360.0 -79.9 -32.2 12.3 27.3 48.1 26 24 A F < 0 0 136 -4,-3.3 -3,-0.1 -5,-0.2 -4,-0.1 -0.160 360.0 360.0 178.1 360.0 10.2 27.6 51.2 27 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 28 31 A F 0 0 183 0, 0.0 2,-0.4 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 156.0 11.6 17.6 57.1 29 32 A P - 0 0 82 0, 0.0 2,-0.7 0, 0.0 0, 0.0 -0.995 360.0-150.4-138.8 133.0 14.9 19.2 57.8 30 33 A L - 0 0 47 -2,-0.4 2,-0.7 19,-0.1 19,-0.2 -0.895 11.5-165.4-105.8 114.9 17.1 21.4 55.6 31 34 A L E -C 48 0A 109 17,-2.5 17,-2.6 -2,-0.7 2,-0.5 -0.878 7.1-177.0-104.5 114.7 20.8 21.2 56.2 32 35 A F E +C 47 0A 29 -2,-0.7 2,-0.4 15,-0.2 15,-0.2 -0.947 4.8 173.4-113.1 122.4 22.8 24.0 54.6 33 36 A D E -C 46 0A 68 13,-2.5 13,-2.9 -2,-0.5 2,-0.5 -0.987 21.0-148.1-132.6 122.6 26.6 23.9 55.0 34 37 A K E +C 45 0A 108 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.796 31.6 167.6 -91.8 133.7 28.9 26.3 53.2 35 38 A R E -C 44 0A 92 9,-2.7 9,-2.4 -2,-0.5 2,-0.5 -0.861 32.0-129.1-142.7 166.4 32.2 24.7 52.4 36 39 A Y E -C 43 0A 101 -2,-0.3 2,-1.3 7,-0.2 7,-0.3 -0.929 5.6-156.2-130.4 113.7 35.4 25.1 50.4 37 40 A A E > > -C 42 0A 7 5,-2.6 5,-1.7 -2,-0.5 3,-1.4 -0.700 13.4-172.1 -83.4 95.6 36.8 22.6 48.0 38 41 A A G > 5S+ 0 0 40 -2,-1.3 3,-1.1 1,-0.3 267,-0.4 0.803 76.4 67.5 -55.3 -36.3 40.5 23.7 48.1 39 42 A L G 3 5S+ 0 0 84 1,-0.3 265,-0.8 265,-0.1 -1,-0.3 0.791 117.4 23.5 -63.2 -29.2 41.5 21.3 45.3 40 43 A I G < 5S- 0 0 0 -3,-1.4 -1,-0.3 263,-0.2 -2,-0.2 0.147 106.1-121.2-120.4 16.6 39.4 23.2 42.7 41 44 A N T < 5 + 0 0 17 -3,-1.1 2,-0.5 -4,-0.3 293,-0.4 0.882 65.4 139.2 45.0 53.3 39.4 26.5 44.6 42 45 A T E < - C 0 37A 14 -5,-1.7 -5,-2.6 291,-0.1 2,-0.4 -0.964 43.5-156.0-135.3 115.5 35.7 26.6 44.8 43 46 A A E + C 0 36A 10 -2,-0.5 -33,-0.4 289,-0.4 2,-0.3 -0.773 29.6 174.6 -83.9 131.6 33.5 27.6 47.7 44 47 A Y E - C 0 35A 5 -9,-2.4 -9,-2.7 -2,-0.4 2,-0.5 -0.875 33.1-118.7-134.2 170.2 30.1 26.0 47.5 45 48 A L E -AC 8 34A 1 -37,-2.3 -37,-2.7 -2,-0.3 2,-0.5 -0.933 25.5-158.2-109.5 126.8 26.8 25.6 49.3 46 49 A K E -AC 7 33A 27 -13,-2.9 -13,-2.5 -2,-0.5 2,-0.5 -0.901 7.0-168.9-109.7 132.0 25.8 22.1 50.3 47 50 A L E -AC 6 32A 0 -41,-2.8 -41,-2.2 -2,-0.5 2,-0.5 -0.973 5.8-164.8-123.4 128.6 22.2 21.2 51.0 48 51 A T E +AC 5 31A 24 -17,-2.6 -17,-2.5 -2,-0.5 -43,-0.2 -0.958 23.3 155.1-112.2 128.7 20.9 18.0 52.5 49 52 A L E -A 4 0A 6 -45,-2.1 -45,-3.2 -2,-0.5 -19,-0.1 -0.956 48.7 -73.0-146.8 161.7 17.2 17.3 52.2 50 53 A P E >> -A 3 0A 8 0, 0.0 3,-1.0 0, 0.0 4,-0.5 -0.264 38.6-127.3 -59.8 143.0 14.9 14.3 52.2 51 54 A A G >4 S+ 0 0 37 -49,-2.1 3,-0.9 1,-0.3 -48,-0.1 0.786 105.4 68.3 -62.9 -29.4 15.0 12.2 49.0 52 55 A E G 34 S+ 0 0 138 -50,-0.3 -1,-0.3 1,-0.3 -49,-0.1 0.862 90.6 64.5 -59.3 -35.2 11.3 12.5 48.6 53 56 A C G <4 S+ 0 0 46 -3,-1.0 2,-0.9 1,-0.1 -1,-0.3 0.849 79.8 86.6 -59.5 -36.9 11.7 16.1 47.9 54 57 A L << + 0 0 43 -3,-0.9 -1,-0.1 -4,-0.5 3,-0.0 -0.553 60.6 148.9 -74.1 112.3 13.6 15.5 44.7 55 58 A T > - 0 0 56 -2,-0.9 4,-2.8 1,-0.1 5,-0.2 -0.889 62.7-102.4-138.5 162.7 10.9 15.2 42.2 56 59 A P H > S+ 0 0 116 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.871 125.2 49.1 -59.2 -38.8 10.7 16.0 38.5 57 60 A E H > S+ 0 0 112 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.860 110.8 50.6 -64.6 -37.8 8.7 19.1 39.3 58 61 A F H > S+ 0 0 37 2,-0.2 4,-2.3 -5,-0.2 -1,-0.2 0.888 111.7 47.8 -70.5 -36.0 11.3 20.0 41.9 59 62 A Y H X S+ 0 0 31 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.988 108.9 52.4 -62.8 -60.1 14.1 19.5 39.4 60 63 A R H X S+ 0 0 106 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.894 113.4 45.5 -41.4 -49.5 12.4 21.5 36.7 61 64 A Y H X S+ 0 0 72 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.906 112.0 49.6 -67.7 -41.6 12.0 24.4 39.1 62 65 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.973 113.4 47.9 -59.9 -49.1 15.5 24.3 40.5 63 66 A R H X S+ 0 0 19 -4,-3.0 4,-1.6 1,-0.2 3,-0.2 0.918 111.1 48.6 -56.1 -51.3 16.9 24.3 36.9 64 67 A E H X S+ 0 0 80 -4,-2.7 4,-1.4 -5,-0.3 -1,-0.2 0.902 113.2 49.8 -58.4 -39.5 14.8 27.2 35.8 65 68 A L H X S+ 0 0 5 -4,-2.2 4,-2.6 1,-0.2 -1,-0.3 0.808 106.0 55.1 -66.7 -32.4 15.9 29.0 38.8 66 69 A S H <>S+ 0 0 0 -4,-1.9 5,-1.9 -3,-0.2 4,-0.4 0.803 108.4 49.5 -76.2 -26.6 19.5 28.3 38.2 67 70 A L H <5S+ 0 0 70 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.796 113.0 46.4 -79.9 -26.8 19.1 29.8 34.7 68 71 A Q H <5S+ 0 0 125 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.2 0.889 125.3 29.7 -84.4 -39.2 17.5 33.0 36.1 69 72 A W T <5S- 0 0 35 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.458 109.0-127.4 -94.0 -1.7 19.9 33.5 38.9 70 73 A Q T 5 + 0 0 19 -4,-0.4 -59,-0.4 1,-0.2 2,-0.3 0.973 56.1 135.7 55.7 68.8 22.8 31.9 36.9 71 74 A F < - 0 0 0 -5,-1.9 2,-0.3 -61,-0.1 -61,-0.2 -0.950 45.0-133.9-133.0 162.0 24.2 29.3 39.2 72 75 A D E +B 9 0A 0 -63,-2.4 -63,-2.9 -2,-0.3 2,-0.3 -0.768 26.4 176.4-103.0 158.9 25.2 25.7 38.6 73 76 A F E -B 8 0A 3 202,-0.4 202,-0.5 -2,-0.3 2,-0.4 -0.977 17.8-148.1-151.6 167.5 24.3 22.8 40.9 74 77 A F E -B 7 0A 0 -67,-2.1 -67,-2.8 -2,-0.3 2,-0.8 -0.994 11.7-144.7-138.1 134.0 24.6 19.1 41.2 75 78 A I E -B 6 0A 40 -2,-0.4 -69,-0.2 -69,-0.2 -2,-0.0 -0.881 40.8-116.9 -88.8 112.4 22.3 16.6 42.7 76 79 A K - 0 0 16 -71,-2.4 -71,-0.3 -2,-0.8 211,-0.1 -0.268 28.4-125.6 -54.9 122.6 24.8 14.1 44.1 77 80 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 181,-0.0 -0.380 24.4-118.9 -67.1 150.8 24.4 10.8 42.4 78 81 A Q S S+ 0 0 107 1,-0.3 2,-0.2 2,-0.1 -2,-0.0 -0.946 104.3 27.8-140.7 116.0 23.7 7.7 44.6 79 82 A P S S- 0 0 80 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.564 103.1-130.1 -76.9 165.5 25.6 5.7 44.4 80 83 A L - 0 0 28 -2,-0.2 208,-0.1 1,-0.1 -2,-0.1 -0.548 30.3-104.0 -73.3 141.3 28.5 8.1 43.5 81 84 A P + 0 0 1 0, 0.0 2,-0.3 0, 0.0 158,-0.2 -0.357 48.8 177.0 -64.3 148.2 30.5 6.9 40.5 82 85 A A + 0 0 44 1,-0.1 88,-0.1 -3,-0.1 3,-0.1 -0.980 51.9 0.2-160.5 143.2 33.8 5.4 41.3 83 86 A N S S+ 0 0 116 86,-0.9 88,-0.2 -2,-0.3 87,-0.1 0.877 102.6 117.2 44.3 48.7 36.9 3.8 39.7 84 87 A G - 0 0 0 151,-0.1 88,-3.1 154,-0.1 2,-0.4 -0.076 67.0 -74.6-117.8-147.8 35.1 4.2 36.4 85 88 A I E -de 172 240B 0 154,-1.3 156,-3.3 86,-0.2 2,-0.5 -0.950 22.8-161.4-119.0 143.5 35.4 6.0 33.1 86 89 A I E -de 173 241B 0 86,-2.9 88,-2.1 -2,-0.4 2,-0.4 -0.973 17.3-167.4-120.6 115.1 34.9 9.6 32.2 87 90 A A E -de 174 242B 0 154,-3.1 156,-2.3 -2,-0.5 2,-0.4 -0.819 1.1-163.2-100.0 141.1 34.3 10.0 28.5 88 91 A F E -de 175 243B 0 86,-2.7 88,-2.3 -2,-0.4 156,-0.2 -0.982 17.7-133.7-122.1 133.3 34.4 13.5 26.7 89 92 A D > - 0 0 10 154,-2.1 5,-1.3 -2,-0.4 88,-0.2 -0.392 26.1-137.9 -63.5 163.4 33.1 14.5 23.3 90 93 A M T >>>S+ 0 0 2 3,-0.2 5,-2.2 86,-0.2 3,-1.9 0.916 73.4 64.7 -91.9 -73.1 35.8 16.5 21.5 91 94 A D B 345S-i 95 0C 23 1,-0.3 154,-0.3 2,-0.2 7,-0.2 -0.258 122.6 -5.9 -62.5 133.2 34.4 19.5 19.7 92 95 A S T 345S+ 0 0 32 5,-1.6 -1,-0.3 3,-0.5 4,-0.2 0.618 136.3 59.2 60.3 11.6 32.8 22.2 21.9 93 96 A T T <45S+ 0 0 0 -3,-1.9 -3,-0.2 2,-0.5 -1,-0.2 0.431 116.3 16.4-124.2 -80.1 33.3 19.9 24.8 94 97 A F T <> - 0 0 69 -7,-0.2 4,-2.4 1,-0.2 3,-0.6 -0.897 26.2-153.7-108.3 102.0 34.9 22.9 16.2 99 102 A G H 3> S+ 0 0 5 -2,-0.7 4,-1.8 1,-0.3 -1,-0.2 0.829 90.6 42.9 -43.6 -56.1 37.9 21.1 14.5 100 103 A V H 3> S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.854 113.8 52.0 -65.4 -35.9 36.5 20.8 11.0 101 104 A D H <> S+ 0 0 50 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.886 109.0 51.9 -61.9 -40.5 35.1 24.4 11.0 102 105 A E H X S+ 0 0 28 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.846 108.7 49.3 -67.2 -34.7 38.5 25.6 12.1 103 106 A I H X S+ 0 0 0 -4,-1.8 4,-1.2 -5,-0.3 -1,-0.2 0.945 110.8 52.0 -68.7 -43.9 40.2 23.8 9.2 104 107 A A H <>S+ 0 0 1 -4,-2.2 5,-3.0 1,-0.2 4,-0.5 0.890 109.1 48.0 -53.4 -48.1 37.6 25.3 6.9 105 108 A R H ><5S+ 0 0 123 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.909 108.2 55.1 -67.4 -37.5 38.3 28.8 8.0 106 109 A E H 3<5S+ 0 0 93 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.809 113.0 44.5 -58.4 -28.2 42.0 28.3 7.7 107 110 A L T 3<5S- 0 0 68 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.385 116.4-108.8-102.1 1.9 41.4 27.3 4.1 108 111 A G T < 5S+ 0 0 53 -3,-1.2 -3,-0.2 -4,-0.5 3,-0.2 0.719 90.2 109.4 79.6 21.2 38.9 30.0 3.1 109 112 A M >< + 0 0 43 -5,-3.0 4,-2.6 -6,-0.2 5,-0.4 0.146 25.1 120.4-119.2 21.4 36.0 27.6 3.0 110 113 A S H > S+ 0 0 15 -6,-0.4 4,-2.4 1,-0.2 -1,-0.1 0.832 79.2 50.3 -57.4 -34.1 33.9 28.6 5.9 111 114 A T H > S+ 0 0 63 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.930 111.8 45.9 -70.9 -45.4 30.9 29.3 3.7 112 115 A Q H > S+ 0 0 87 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.953 119.5 40.8 -59.1 -51.0 31.0 26.0 1.8 113 116 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 3,-0.3 0.918 112.2 53.9 -69.5 -42.5 31.4 24.0 4.9 114 117 A T H X S+ 0 0 44 -4,-2.4 4,-1.9 -5,-0.4 -1,-0.2 0.833 106.1 56.5 -61.6 -27.9 28.9 26.0 6.9 115 118 A A H X S+ 0 0 39 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.872 102.6 51.8 -71.2 -39.1 26.4 25.4 4.1 116 119 A I H X S+ 0 0 13 -4,-1.5 4,-2.1 -3,-0.3 -1,-0.2 0.938 109.5 51.3 -60.8 -43.6 26.8 21.6 4.4 117 120 A T H X S+ 0 0 44 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.908 105.5 58.5 -57.4 -42.9 26.1 22.1 8.1 118 121 A Q H X S+ 0 0 27 -4,-1.9 4,-2.2 1,-0.2 6,-0.3 0.960 105.9 46.4 -46.5 -59.4 23.1 24.1 7.0 119 122 A Q H <>S+ 0 0 70 -4,-2.4 5,-1.8 1,-0.2 6,-1.1 0.892 113.3 47.6 -60.3 -43.0 21.6 21.2 5.0 120 123 A A H ><5S+ 0 0 7 -4,-2.1 3,-1.1 4,-0.3 -1,-0.2 0.923 112.7 47.4 -64.8 -43.8 22.1 18.6 7.8 121 124 A M H 3<5S+ 0 0 134 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.878 108.4 55.0 -64.9 -37.5 20.6 20.8 10.6 122 125 A E T 3<5S- 0 0 100 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.547 120.0-115.7 -71.6 -8.7 17.7 21.7 8.5 123 126 A G T < 5S+ 0 0 63 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.434 86.9 119.2 87.0 2.3 17.2 17.9 8.1 124 127 A K S - 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0 0 65 -7,-0.2 4,-1.7 1,-0.2 5,-0.2 -0.968 26.3-149.0-105.8 116.6 24.5 38.1 19.1 390 102 B G H >> S+ 0 0 2 -2,-0.6 4,-1.6 1,-0.2 3,-0.5 0.919 92.7 45.0 -57.0 -56.8 21.2 40.0 18.7 391 103 B V H 3> S+ 0 0 8 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.884 113.4 52.5 -56.1 -40.1 21.0 40.1 14.9 392 104 B D H 3> S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.813 106.3 53.7 -64.0 -33.3 22.0 36.4 14.7 393 105 B E H X>S+ 0 0 0 -4,-2.4 3,-2.9 1,-0.2 5,-2.3 0.974 110.7 50.2 -55.6 -58.5 17.9 35.5 11.8 396 108 B R H ><5S+ 0 0 143 -4,-2.5 3,-0.7 1,-0.3 -1,-0.2 0.840 109.2 53.1 -50.9 -39.0 18.0 32.1 13.4 397 109 B E H 3<5S+ 0 0 90 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.643 113.8 43.7 -69.3 -16.4 14.4 32.7 14.6 398 110 B L H <<5S- 0 0 61 -3,-2.9 -2,-0.2 -4,-0.6 -1,-0.2 0.430 113.8-112.3-108.1 -0.6 13.5 33.6 11.0 399 111 B G T <<5S+ 0 0 50 -4,-0.9 3,-0.3 -3,-0.7 -3,-0.2 0.647 89.4 114.3 75.0 16.8 15.3 30.7 9.3 400 112 B M >< + 0 0 34 -5,-2.3 4,-2.2 -6,-0.2 -4,-0.2 0.119 25.5 117.2-107.2 23.7 17.6 33.3 7.8 401 113 B S H > S+ 0 0 32 -6,-0.4 4,-4.3 1,-0.2 5,-0.4 0.903 75.5 54.0 -62.4 -40.4 20.9 32.4 9.5 402 114 B T H > S+ 0 0 59 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.922 109.7 43.6 -61.4 -46.8 22.5 31.5 6.2 403 115 B Q H > S+ 0 0 81 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.872 120.5 44.6 -64.1 -38.4 21.9 34.8 4.5 404 116 B I H >X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 3,-0.6 0.949 113.8 45.9 -74.2 -51.5 22.9 36.6 7.7 405 117 B T H 3X S+ 0 0 56 -4,-4.3 4,-3.4 1,-0.3 5,-0.3 0.933 106.9 63.7 -56.2 -44.9 26.0 34.6 8.5 406 118 B A H 3X S+ 0 0 38 -4,-2.4 4,-1.8 -5,-0.4 -1,-0.3 0.872 105.3 43.9 -41.1 -47.5 26.9 35.0 4.8 407 119 B I H S+ 0 0 49 -4,-1.8 5,-1.8 -5,-0.3 6,-0.7 0.955 109.0 49.5 -57.1 -47.2 32.1 38.6 4.1 411 123 B A H ><5S+ 0 0 32 -4,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.882 106.9 56.8 -60.3 -36.7 32.9 41.4 6.5 412 124 B M H 3<5S+ 0 0 123 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.897 106.4 49.3 -60.4 -40.2 35.3 39.0 8.2 413 125 B E T 3<5S- 0 0 93 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.400 117.1-111.6 -84.8 0.8 37.2 38.6 5.0 414 126 B G T < 5S+ 0 0 63 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.508 88.6 118.7 82.2 3.2 37.4 42.3 4.4 415 127 B K S - 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0 0 28 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.918 38.8-126.4-112.1 125.0 34.5 62.1 34.5 527 239 B A > - 0 0 46 -2,-0.5 3,-2.8 1,-0.1 21,-0.1 -0.369 24.0-113.2 -68.9 143.8 38.2 61.9 34.0 528 240 B T G > S+ 0 0 67 1,-0.3 3,-1.8 2,-0.2 20,-1.5 0.776 113.0 63.5 -43.0 -38.8 39.6 59.3 31.6 529 241 B E G 3 S+ 0 0 95 1,-0.3 -1,-0.3 19,-0.2 -154,-0.1 0.659 100.4 53.9 -72.8 -9.9 41.3 57.3 34.3 530 242 B N G < S+ 0 0 28 -3,-2.8 -154,-1.6 -158,-0.2 2,-0.6 0.171 86.5 100.6-104.6 17.1 37.9 56.6 35.9 531 243 B I E < -q 376 0F 0 -3,-1.8 18,-2.4 -156,-0.2 17,-0.5 -0.907 49.8-172.5-104.0 119.6 36.4 55.1 32.7 532 244 B I E -qs 377 549F 0 -156,-3.2 -154,-2.7 -2,-0.6 2,-0.4 -0.939 4.9-175.0-107.9 137.0 36.2 51.4 32.4 533 245 B A E -qs 378 550F 0 16,-1.9 18,-3.6 -2,-0.4 2,-0.4 -0.997 7.6-160.7-134.7 136.9 35.1 49.9 29.1 534 246 B C E +qs 379 551F 0 -156,-2.6 -154,-1.9 -2,-0.4 2,-0.3 -0.967 21.1 152.3-122.3 130.6 34.5 46.2 28.3 535 247 B G E - s 0 552F 0 16,-2.4 18,-3.1 -2,-0.4 20,-0.1 -0.971 34.3-157.1-153.6 163.8 34.4 44.7 24.8 536 248 B D + 0 0 27 -2,-0.3 20,-2.3 -154,-0.2 23,-0.2 0.689 68.8 51.6-112.8 -31.1 34.9 41.5 22.8 537 249 B G S > S- 0 0 2 18,-0.2 3,-2.2 22,-0.1 4,-0.4 -0.545 83.8 -98.1-121.0 178.6 35.6 42.6 19.2 538 250 B A G > S+ 0 0 40 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.812 117.1 61.3 -62.3 -36.9 37.6 44.7 16.8 539 251 B N G 3 S+ 0 0 58 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.555 101.2 57.1 -69.8 -2.6 34.8 47.3 16.6 540 252 B D G <> S+ 0 0 0 -3,-2.2 4,-2.8 2,-0.1 -1,-0.3 0.595 81.4 91.7 -94.1 -12.7 35.3 47.8 20.4 541 253 B L H <> S+ 0 0 22 -3,-1.5 4,-2.7 -4,-0.4 5,-0.3 0.871 82.9 48.8 -57.2 -48.7 39.0 48.6 20.0 542 254 B P H > S+ 0 0 39 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.955 116.1 44.4 -56.0 -50.4 38.8 52.4 19.8 543 255 B M H > S+ 0 0 0 -4,-0.3 4,-1.9 -33,-0.3 -2,-0.2 0.901 114.7 48.9 -58.8 -43.1 36.5 52.6 22.8 544 256 B L H < S+ 0 0 3 -4,-2.8 -1,-0.2 1,-0.2 -11,-0.2 0.842 111.4 48.8 -70.5 -32.5 38.6 50.1 24.8 545 257 B E H < S+ 0 0 106 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.807 109.9 52.9 -78.1 -27.2 41.9 52.0 24.1 546 258 B H H < S+ 0 0 42 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.903 91.1 88.4 -71.4 -41.7 40.3 55.3 25.1 547 259 B A S < S- 0 0 7 -4,-1.9 3,-0.4 -5,-0.2 -15,-0.1 -0.226 83.3-127.4 -56.5 146.1 39.1 54.1 28.5 548 260 B G S S+ 0 0 38 -20,-1.5 2,-0.5 -17,-0.5 -16,-0.2 0.950 107.9 27.7 -56.1 -47.4 41.5 54.5 31.3 549 261 B T E S-s 532 0F 7 -18,-2.4 -16,-1.9 -21,-0.3 2,-0.5 -0.884 80.4-174.6-122.2 99.1 40.9 50.8 32.0 550 262 B G E -s 533 0F 8 -2,-0.5 15,-0.7 -3,-0.4 2,-0.5 -0.814 8.6-156.7 -97.7 127.1 39.9 48.8 28.9 551 263 B I E -st 534 565F 0 -18,-3.6 -16,-2.4 -2,-0.5 2,-0.8 -0.922 10.5-146.4-114.5 122.9 38.9 45.1 29.4 552 264 B A E -st 535 566F 0 13,-2.9 15,-2.2 -2,-0.5 2,-0.8 -0.725 18.2-153.1 -80.8 109.6 39.0 42.4 26.7 553 265 B W E - t 0 567F 11 -18,-3.1 15,-0.1 -2,-0.8 3,-0.1 -0.778 68.7 -44.9 -92.6 110.7 36.1 40.1 27.5 554 266 B K S S- 0 0 93 13,-3.0 -1,-0.2 -2,-0.8 14,-0.1 0.847 103.5-169.0 34.0 62.3 36.9 36.6 26.2 555 267 B A - 0 0 11 -3,-0.3 -18,-0.2 1,-0.2 -1,-0.1 -0.245 27.0 -88.9-102.8 166.8 38.0 38.5 23.1 556 268 B K >> - 0 0 99 -20,-2.3 4,-2.7 -3,-0.1 3,-1.2 -0.256 43.0-113.7 -58.5 148.0 39.1 38.2 19.5 557 269 B P H 3> S+ 0 0 77 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.876 118.7 58.3 -52.0 -39.2 42.9 37.6 18.9 558 270 B V H 3> S+ 0 0 81 1,-0.2 4,-0.6 2,-0.2 -21,-0.1 0.848 112.5 40.2 -60.4 -32.7 43.0 41.0 17.3 559 271 B V H <> S+ 0 0 0 -3,-1.2 4,-2.6 -23,-0.2 3,-0.4 0.870 107.6 58.6 -85.9 -41.2 41.8 42.5 20.5 560 272 B R H < S+ 0 0 74 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.1 0.820 101.6 58.9 -60.0 -30.6 43.7 40.4 23.0 561 273 B E H < S+ 0 0 148 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.912 116.9 30.2 -63.4 -42.0 46.9 41.6 21.5 562 274 B K H < S+ 0 0 118 -4,-0.6 2,-0.6 -3,-0.4 -2,-0.2 0.754 109.7 66.8 -93.1 -28.0 46.1 45.3 22.2 563 275 B I < - 0 0 9 -4,-2.6 -1,-0.1 1,-0.1 -12,-0.1 -0.874 57.7-173.5-106.5 120.6 44.1 45.2 25.3 564 276 B H + 0 0 98 -2,-0.6 2,-0.6 -14,-0.1 -1,-0.1 0.638 64.9 79.0-100.1 -15.8 46.0 44.0 28.3 565 277 B H E S+t 551 0F 38 -15,-0.7 -13,-2.9 -200,-0.1 2,-0.3 -0.837 70.8 171.2 -82.0 126.0 43.3 43.8 30.9 566 278 B Q E -t 552 0F 1 -2,-0.6 2,-0.4 -202,-0.5 -202,-0.4 -0.989 37.9-160.2-140.7 148.4 41.5 40.5 30.1 567 279 B I E +t 553 0F 0 -15,-2.2 -13,-3.0 -2,-0.3 -12,-0.1 -0.978 30.8 148.6-121.7 120.3 38.9 38.0 31.3 568 280 B N S S+ 0 0 24 -2,-0.4 -1,-0.1 -15,-0.1 -205,-0.1 0.657 71.5 22.4-122.2 -24.7 39.3 34.6 29.7 569 281 B Y S S+ 0 0 44 2,-0.1 2,-0.2 -269,-0.1 -206,-0.1 0.286 116.3 40.8-136.2 2.9 38.2 31.9 32.1 570 282 B H S S- 0 0 39 1,-0.1 2,-0.2 -208,-0.1 -3,-0.1 -0.554 80.4 -91.4-134.3-154.9 35.9 33.5 34.6 571 283 B G > - 0 0 3 -2,-0.2 3,-1.7 -122,-0.1 -122,-0.3 -0.464 46.1 -81.1-119.4-171.2 33.1 36.0 34.6 572 284 B F G > S+ 0 0 0 -124,-2.7 3,-1.7 1,-0.3 -123,-0.2 0.505 108.1 89.0 -74.5 -3.0 32.4 39.7 35.1 573 285 B E G > S+ 0 0 10 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.843 74.5 72.9 -58.7 -27.8 32.6 39.2 38.8 574 286 B L G X S+ 0 0 0 -3,-1.7 3,-1.2 1,-0.3 4,-0.4 0.706 71.0 84.5 -63.3 -15.4 36.4 39.8 38.3 575 287 B L G X> S+ 0 0 0 -3,-1.7 3,-2.0 1,-0.2 4,-0.6 0.798 73.3 78.4 -52.6 -23.6 35.5 43.5 37.7 576 288 B L H X> S+ 0 0 4 -3,-2.1 4,-2.5 1,-0.3 3,-1.6 0.897 84.1 59.3 -52.6 -45.3 35.7 43.7 41.5 577 289 B F H <4 S+ 0 0 0 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.627 106.4 49.1 -58.6 -16.0 39.5 43.7 41.4 578 290 B L H <4 S+ 0 0 0 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.509 120.7 30.9-102.7 -6.9 39.3 46.9 39.3 579 291 B I H << S+ 0 0 5 -3,-1.6 2,-0.7 -4,-0.6 -2,-0.2 0.539 103.5 74.1-126.8 -16.3 36.9 48.9 41.5 580 292 B E < - 0 0 40 -4,-2.5 -1,-0.2 -5,-0.2 3,-0.1 -0.908 50.5-174.6-109.3 110.8 37.5 47.7 45.0 581 293 B D + 0 0 83 -2,-0.7 2,-1.7 1,-0.2 -1,-0.2 0.829 68.0 82.3 -66.7 -35.8 40.7 49.1 46.5 582 294 B E 0 0 156 0, 0.0 -1,-0.2 0, 0.0 -5,-0.0 -0.409 360.0 360.0 -82.2 68.5 40.3 47.0 49.7 583 295 B L 0 0 20 -2,-1.7 -255,-0.0 -3,-0.1 0, 0.0 -0.928 360.0 360.0-162.9 360.0 41.5 43.5 49.0