==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 17-MAY-04 1T9J . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.CHEVALIER,D.SUSSMAN,C.OTIS,D.BOUDREAU,M.TURMEL,C.LEMIEUX, . 302 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15303.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 14.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 17 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 43.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 0 1 1 0 0 4 0 0 2 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 T 0 0 124 0, 0.0 2,-0.5 0, 0.0 59,-0.0 0.000 360.0 360.0 360.0 127.3 -16.6 34.5 36.1 2 4 A K - 0 0 184 86,-0.0 2,-0.2 0, 0.0 83,-0.1 -0.872 360.0-147.2 -98.6 123.9 -18.1 35.4 32.7 3 5 A Y - 0 0 15 -2,-0.5 2,-0.2 1,-0.1 57,-0.1 -0.625 20.3-103.8 -93.6 151.9 -16.5 38.3 31.0 4 6 A N >> - 0 0 102 -2,-0.2 4,-2.2 1,-0.1 3,-0.5 -0.544 25.5-131.9 -72.5 132.5 -18.1 40.9 28.8 5 7 A K H 3> S+ 0 0 107 -2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.735 105.5 53.4 -57.3 -31.4 -17.3 40.4 25.0 6 8 A E H 3> S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.855 108.9 49.2 -72.0 -38.1 -16.4 44.1 24.5 7 9 A F H <> S+ 0 0 29 -3,-0.5 4,-2.7 1,-0.2 -2,-0.2 0.918 113.6 47.9 -64.5 -44.2 -13.9 44.0 27.3 8 10 A L H X S+ 0 0 8 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.822 110.2 50.9 -65.8 -37.2 -12.5 40.8 25.8 9 11 A L H X S+ 0 0 8 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.961 114.9 41.9 -67.0 -50.5 -12.2 42.2 22.3 10 12 A Y H X S+ 0 0 11 -4,-2.2 4,-2.6 1,-0.2 3,-0.2 0.943 116.3 50.1 -60.7 -48.1 -10.4 45.3 23.4 11 13 A L H X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.837 105.7 54.9 -61.8 -37.2 -8.2 43.3 25.8 12 14 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 82,-0.3 0.896 109.9 47.7 -65.3 -35.4 -7.3 40.7 23.2 13 15 A G H X S+ 0 0 0 -4,-1.6 4,-1.3 -3,-0.2 -2,-0.2 0.953 113.9 47.5 -68.0 -43.9 -6.0 43.5 20.9 14 16 A F H X>S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.6 0.867 113.1 47.7 -62.6 -41.0 -4.1 45.0 23.9 15 17 A V H X5S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.914 106.5 56.3 -67.1 -42.9 -2.6 41.6 24.8 16 18 A D H <5S+ 0 0 2 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.822 118.7 38.2 -59.1 -26.1 -1.6 41.0 21.2 17 19 A G H <5S+ 0 0 13 -4,-1.3 -2,-0.2 -5,-0.2 -3,-0.1 0.954 138.3 3.8 -86.0 -71.7 0.2 44.3 21.6 18 20 A D H <5S+ 0 0 40 -4,-2.6 26,-1.8 -5,-0.1 -3,-0.2 0.395 109.6 97.8 -97.9 1.3 1.8 44.6 25.1 19 21 A G E << -A 43 0A 7 -4,-1.5 2,-0.3 -5,-0.6 24,-0.3 -0.264 51.3-157.2 -91.1 175.9 0.9 41.2 26.4 20 22 A S E -A 42 0A 28 22,-2.6 22,-2.9 -2,-0.1 2,-0.6 -0.962 10.6-157.6-156.3 132.2 2.6 37.9 26.8 21 23 A I E -A 41 0A 1 -2,-0.3 2,-0.4 20,-0.2 20,-0.2 -0.970 30.8-172.7-112.9 111.8 1.5 34.3 27.2 22 24 A I E -A 40 0A 33 18,-3.4 18,-3.1 -2,-0.6 2,-0.4 -0.911 22.6-176.1-119.8 136.3 4.3 32.4 28.8 23 25 A A E -A 39 0A 6 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.996 17.2-179.9-126.5 128.7 5.1 28.7 29.6 24 26 A Q E -A 38 0A 78 14,-3.2 14,-3.0 -2,-0.4 2,-0.6 -0.953 27.3-146.7-132.4 153.4 8.2 27.8 31.6 25 27 A I E -A 37 0A 7 116,-0.4 12,-0.2 -2,-0.3 116,-0.2 -0.969 27.3-162.0-115.5 108.3 9.9 24.7 32.9 26 28 A K E -A 36 0A 82 10,-3.0 10,-2.5 -2,-0.6 -2,-0.0 -0.843 18.5-126.9-104.8 117.1 11.7 25.7 36.1 27 29 A P E +A 35 0A 87 0, 0.0 8,-0.3 0, 0.0 2,-0.2 -0.318 45.7 156.6 -54.3 130.0 14.4 23.5 37.6 28 30 A N > - 0 0 62 6,-2.6 3,-1.5 3,-0.1 6,-0.1 -0.752 39.1-150.6-164.3 111.4 13.3 22.9 41.2 29 31 A Q T 3 S+ 0 0 149 1,-0.2 5,-0.2 -2,-0.2 6,-0.1 0.636 89.0 71.1 -60.9 -16.2 14.4 20.0 43.3 30 32 A S T 3 S+ 0 0 101 4,-0.1 2,-0.3 3,-0.1 -1,-0.2 0.590 83.3 81.2 -79.1 -11.1 11.2 19.9 45.4 31 33 A Y S X S- 0 0 83 -3,-1.5 3,-2.0 1,-0.1 -3,-0.1 -0.691 87.0-121.1 -93.5 149.5 9.0 18.5 42.6 32 34 A K T 3 S+ 0 0 125 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.844 117.6 40.0 -59.6 -33.9 9.0 14.8 41.8 33 35 A F T 3 S- 0 0 17 2,-0.3 -1,-0.3 -5,-0.0 116,-0.1 0.231 115.2-118.5 -98.8 16.2 10.2 15.5 38.2 34 36 A K S < S+ 0 0 78 -3,-2.0 -6,-2.6 -5,-0.2 2,-0.3 0.650 85.2 82.7 58.8 20.4 12.6 18.2 39.5 35 37 A H E -A 27 0A 11 -8,-0.3 2,-0.4 -6,-0.1 -2,-0.3 -0.993 68.5-137.2-151.1 142.8 10.9 20.9 37.5 36 38 A Q E -A 26 0A 63 -10,-2.5 -10,-3.0 -2,-0.3 2,-0.9 -0.845 16.1-137.4-100.3 139.3 7.9 23.0 37.9 37 39 A L E -A 25 0A 23 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.2 -0.874 32.5-170.8 -92.4 107.7 5.5 23.6 34.9 38 40 A S E -A 24 0A 10 -14,-3.0 -14,-3.2 -2,-0.9 2,-0.4 -0.869 10.8-171.7-107.8 138.8 4.9 27.3 35.2 39 41 A L E +A 23 0A 7 -2,-0.4 2,-0.4 -16,-0.2 -16,-0.2 -0.986 5.8 179.8-129.2 138.8 2.3 29.3 33.2 40 42 A T E -A 22 0A 18 -18,-3.1 -18,-3.4 -2,-0.4 2,-0.5 -0.993 20.0-163.9-145.9 136.7 1.8 33.0 33.1 41 43 A F E +AB 21 76A 0 35,-2.1 35,-2.1 -2,-0.4 2,-0.3 -0.965 32.9 170.8-109.7 124.9 -0.4 35.5 31.4 42 44 A Q E -AB 20 75A 34 -22,-2.9 -22,-2.6 -2,-0.5 2,-0.4 -0.981 31.2-161.1-142.1 159.2 1.0 39.0 31.6 43 45 A V E -AB 19 74A 0 31,-1.8 31,-2.8 -2,-0.3 2,-0.4 -0.992 17.0-157.1-136.6 122.0 0.7 42.5 30.4 44 46 A T E + B 0 73A 33 -26,-1.8 2,-0.3 -2,-0.4 29,-0.2 -0.825 19.4 162.6-103.3 142.0 3.6 44.9 30.7 45 47 A E E - B 0 72A 12 27,-2.6 27,-3.2 -2,-0.4 5,-0.1 -0.989 47.4 -85.3-156.5 150.3 3.2 48.7 30.7 46 48 A K E > - B 0 71A 76 -2,-0.3 3,-2.3 25,-0.3 25,-0.3 -0.286 45.1-119.8 -54.9 140.0 5.2 51.8 31.8 47 49 A T G > S+ 0 0 32 23,-3.2 3,-2.3 1,-0.3 4,-0.2 0.824 111.7 64.9 -59.3 -31.7 4.7 52.4 35.5 48 50 A Q G 3 S+ 0 0 127 22,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.619 107.5 46.5 -66.1 -6.1 3.3 55.8 35.0 49 51 A R G X> S+ 0 0 41 -3,-2.3 3,-1.5 1,-0.1 4,-0.6 0.097 74.9 114.1-119.6 20.2 0.5 53.9 33.3 50 52 A R H <> + 0 0 85 -3,-2.3 4,-3.3 1,-0.3 3,-0.3 0.759 60.6 78.3 -64.5 -21.2 0.1 51.2 35.9 51 53 A W H 3> S+ 0 0 132 1,-0.3 4,-2.4 -4,-0.2 -1,-0.3 0.906 90.8 55.2 -54.4 -35.9 -3.4 52.5 36.6 52 54 A F H <> S+ 0 0 8 -3,-1.5 4,-1.4 1,-0.2 -1,-0.3 0.918 110.5 43.4 -62.4 -42.9 -4.3 50.6 33.5 53 55 A L H X S+ 0 0 0 -4,-0.6 4,-1.6 -3,-0.3 -2,-0.2 0.836 110.5 55.7 -70.3 -35.7 -2.9 47.4 35.0 54 56 A D H X S+ 0 0 64 -4,-3.3 4,-1.5 1,-0.2 -2,-0.2 0.913 105.6 52.4 -64.7 -36.9 -4.6 48.1 38.3 55 57 A K H X S+ 0 0 90 -4,-2.4 4,-3.2 -5,-0.3 5,-0.2 0.896 104.1 58.0 -64.2 -40.0 -7.9 48.4 36.5 56 58 A L H X S+ 0 0 2 -4,-1.4 4,-3.2 2,-0.2 5,-0.5 0.877 100.1 55.4 -56.8 -41.9 -7.2 45.0 35.0 57 59 A V H X S+ 0 0 43 -4,-1.6 4,-2.2 2,-0.2 5,-0.4 0.971 113.9 42.4 -54.7 -49.2 -6.9 43.4 38.4 58 60 A D H < S+ 0 0 132 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.927 117.8 44.5 -61.7 -51.0 -10.4 44.8 39.1 59 61 A E H < S+ 0 0 60 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.874 120.8 38.6 -66.4 -39.3 -11.9 43.9 35.7 60 62 A I H < S- 0 0 2 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.783 99.1-142.7 -83.5 -24.3 -10.5 40.4 35.5 61 63 A G S < S+ 0 0 64 -4,-2.2 2,-0.3 -5,-0.5 -3,-0.2 0.477 71.4 60.2 78.5 5.0 -11.1 39.9 39.3 62 64 A V S S+ 0 0 25 -5,-0.4 -2,-0.2 -6,-0.3 -1,-0.2 -0.945 74.7 48.5-154.0 164.3 -7.9 38.0 39.9 63 65 A G - 0 0 18 -2,-0.3 2,-0.3 -3,-0.1 13,-0.2 -0.346 61.8-124.9 92.9-175.0 -4.1 38.5 39.5 64 66 A Y E -C 75 0A 134 11,-2.1 11,-3.4 -2,-0.1 2,-0.4 -0.959 12.5-104.5-160.5 177.5 -2.0 41.4 40.6 65 67 A V E -C 74 0A 24 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.922 24.2-162.8-118.5 132.9 0.5 44.0 39.6 66 68 A R E -C 73 0A 111 7,-2.4 7,-2.3 -2,-0.4 2,-0.4 -0.911 12.2-140.5-115.0 144.6 4.2 43.9 40.2 67 69 A D E +C 72 0A 94 -2,-0.4 5,-0.2 5,-0.2 3,-0.1 -0.847 21.9 172.8-103.4 139.0 6.4 46.9 40.0 68 70 A R - 0 0 112 3,-2.1 2,-0.8 -2,-0.4 3,-0.5 -0.204 57.6 -86.5-138.7 47.5 9.9 46.6 38.5 69 71 A G S S+ 0 0 54 1,-0.2 -1,-0.1 -23,-0.0 -22,-0.1 -0.788 111.4 12.8 93.0-111.9 11.2 50.2 38.2 70 72 A S S S+ 0 0 93 -2,-0.8 -23,-3.2 -3,-0.1 -22,-0.4 0.751 130.7 37.6 -77.3 -24.3 10.2 51.9 35.0 71 73 A V E -B 46 0A 36 -3,-0.5 -3,-2.1 -25,-0.3 2,-0.3 -0.828 65.5-157.7-124.7 167.8 7.6 49.4 34.0 72 74 A S E -BC 45 67A 0 -27,-3.2 -27,-2.6 -2,-0.3 2,-0.4 -0.901 8.6-143.1-135.9 162.7 5.0 47.2 35.8 73 75 A D E -BC 44 66A 0 -7,-2.3 -7,-2.4 -2,-0.3 2,-0.6 -0.988 11.7-140.0-132.9 144.4 3.2 44.0 34.9 74 76 A Y E -BC 43 65A 0 -31,-2.8 -31,-1.8 -2,-0.4 2,-0.4 -0.873 34.9-164.8 -93.9 131.0 -0.2 42.7 35.4 75 77 A I E +BC 42 64A 13 -11,-3.4 -11,-2.1 -2,-0.6 2,-0.4 -0.966 19.9 178.5-125.1 134.5 0.4 39.0 36.3 76 78 A L E +B 41 0A 0 -35,-2.1 -35,-2.1 -2,-0.4 -2,-0.0 -0.933 20.3 144.5-135.5 110.7 -2.1 36.1 36.3 77 79 A S + 0 0 48 -2,-0.4 -38,-0.2 -37,-0.2 -1,-0.1 0.658 30.4 115.3-116.4 -28.9 -0.7 32.6 37.2 78 80 A E > - 0 0 116 1,-0.2 4,-2.3 4,-0.1 5,-0.2 -0.273 60.4-145.2 -49.3 115.5 -3.5 30.9 39.2 79 81 A I H > S+ 0 0 84 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.834 90.3 54.6 -56.6 -40.4 -4.3 28.0 36.8 80 82 A K H > S+ 0 0 164 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.975 116.1 35.4 -61.0 -57.9 -8.0 27.8 37.5 81 83 A P H > S+ 0 0 14 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.828 116.6 58.4 -64.3 -31.4 -8.8 31.5 36.8 82 84 A L H X S+ 0 0 0 -4,-2.3 4,-3.4 2,-0.2 5,-0.3 0.945 107.6 44.6 -63.5 -47.7 -6.2 31.4 34.0 83 85 A H H X S+ 0 0 56 -4,-2.8 4,-2.1 2,-0.2 5,-0.2 0.941 115.0 48.9 -61.7 -47.3 -8.0 28.6 32.2 84 86 A N H X S+ 0 0 52 -4,-2.3 4,-1.2 -5,-0.2 -2,-0.2 0.933 116.9 42.1 -58.2 -48.5 -11.3 30.4 32.7 85 87 A F H X S+ 0 0 0 -4,-3.2 4,-1.7 1,-0.2 3,-0.3 0.938 114.8 47.4 -65.1 -51.0 -9.9 33.7 31.4 86 88 A L H X S+ 0 0 1 -4,-3.4 4,-3.0 1,-0.2 -1,-0.2 0.845 105.6 60.8 -62.9 -33.4 -7.9 32.4 28.5 87 89 A T H < S+ 0 0 59 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.901 111.6 39.1 -58.8 -43.8 -10.8 30.2 27.3 88 90 A Q H < S+ 0 0 36 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.753 119.2 47.7 -79.1 -25.8 -12.9 33.4 26.9 89 91 A L H >< S+ 0 0 0 -4,-1.7 3,-2.1 1,-0.1 4,-0.5 0.877 93.5 73.1 -83.7 -39.0 -10.1 35.5 25.5 90 92 A Q G >< S+ 0 0 42 -4,-3.0 3,-1.0 1,-0.3 -1,-0.1 0.747 83.7 66.5 -51.7 -32.1 -8.6 33.2 22.9 91 93 A P G 3 S+ 0 0 66 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.784 108.2 42.8 -61.8 -21.3 -11.4 33.5 20.3 92 94 A F G < S+ 0 0 43 -3,-2.1 -2,-0.2 -4,-0.2 2,-0.1 0.505 89.5 103.9-103.8 -5.2 -10.4 37.1 19.9 93 95 A L < + 0 0 4 -3,-1.0 -80,-0.1 -4,-0.5 -81,-0.1 -0.474 36.4 173.4 -75.1 147.6 -6.6 36.8 19.8 94 96 A K S S+ 0 0 70 -82,-0.3 -1,-0.1 -2,-0.1 4,-0.1 0.622 79.5 28.8-124.0 -34.1 -4.9 37.1 16.4 95 97 A L S S+ 0 0 28 1,-0.1 3,-0.2 2,-0.1 4,-0.2 0.785 132.5 29.7 -96.9 -36.6 -1.2 37.1 17.2 96 98 A K S > S+ 0 0 36 -84,-0.2 4,-2.0 1,-0.1 5,-0.1 0.134 83.4 107.1-114.8 23.9 -1.1 35.0 20.4 97 99 A Q H > S+ 0 0 71 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.905 78.6 54.8 -67.3 -41.9 -4.1 32.7 20.0 98 100 A K H > S+ 0 0 144 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.934 109.2 48.7 -59.8 -38.8 -1.9 29.7 19.3 99 101 A Q H > S+ 0 0 8 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.921 110.1 51.2 -64.1 -46.3 -0.1 30.3 22.6 100 102 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.948 110.5 49.0 -56.0 -49.4 -3.3 30.7 24.5 101 103 A N H X S+ 0 0 69 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.821 110.0 51.1 -62.9 -32.8 -4.6 27.4 23.1 102 104 A L H X S+ 0 0 17 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.873 110.1 50.3 -71.3 -35.9 -1.4 25.6 24.0 103 105 A V H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.914 109.0 50.0 -67.5 -43.8 -1.6 26.9 27.6 104 106 A L H X S+ 0 0 12 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.904 111.0 51.9 -60.8 -37.9 -5.2 25.7 27.9 105 107 A K H X S+ 0 0 97 -4,-1.6 4,-1.3 -5,-0.2 -2,-0.2 0.927 110.8 46.5 -62.6 -47.4 -4.0 22.3 26.6 106 108 A I H X S+ 0 0 0 -4,-2.3 4,-0.8 2,-0.2 3,-0.3 0.923 110.5 53.0 -60.9 -48.4 -1.2 22.2 29.2 107 109 A I H >< S+ 0 0 18 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.960 110.2 46.2 -52.3 -58.0 -3.5 23.2 32.1 108 110 A E H 3< S+ 0 0 124 -4,-2.1 4,-0.3 1,-0.3 -1,-0.2 0.769 114.8 49.0 -58.1 -26.7 -6.1 20.5 31.4 109 111 A Q H 3X S+ 0 0 61 -4,-1.3 4,-1.7 -3,-0.3 -1,-0.3 0.471 83.8 97.6 -93.7 -3.4 -3.3 17.9 31.0 110 112 A L H S+ 0 0 89 0, 0.0 4,-0.8 0, 0.0 3,-0.5 0.925 113.6 46.1 -52.8 -45.9 -3.0 16.2 36.5 112 114 A S H > S+ 0 0 43 -4,-0.3 4,-1.3 1,-0.2 3,-0.3 0.802 107.3 58.8 -65.9 -30.0 -2.0 13.5 34.0 113 115 A A H < S+ 0 0 1 -4,-1.7 7,-0.4 -3,-0.2 -1,-0.2 0.784 100.3 56.4 -71.2 -27.0 1.5 15.1 33.7 114 116 A K H < S+ 0 0 148 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.769 107.0 50.7 -75.1 -23.7 2.0 14.6 37.4 115 117 A E H < S+ 0 0 156 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.2 0.841 111.5 39.3 -83.9 -34.9 1.4 10.9 37.1 116 118 A S X - 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0 0 115 1,-0.2 4,-2.5 2,-0.1 5,-0.2 -0.505 59.8-143.4 -63.4 118.2 -4.1 60.9 4.4 231 381 B I H > S+ 0 0 92 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.842 90.7 45.7 -55.9 -43.6 -6.1 63.5 6.4 232 382 B K H > S+ 0 0 134 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.970 117.6 40.9 -69.8 -50.9 -9.6 62.7 5.2 233 383 B P H > S+ 0 0 33 0, 0.0 4,-2.7 0, 0.0 -2,-0.2 0.882 115.2 54.2 -62.8 -34.7 -9.4 58.9 5.6 234 384 B L H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.923 108.1 49.2 -63.6 -43.7 -7.5 59.4 8.9 235 385 B H H X S+ 0 0 33 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.933 112.7 46.7 -61.7 -47.6 -10.2 61.7 10.2 236 386 B N H X S+ 0 0 50 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.935 115.5 47.7 -60.0 -44.4 -12.9 59.2 9.3 237 387 B F H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 3,-0.3 0.950 113.1 43.9 -61.5 -56.1 -10.8 56.3 10.8 238 388 B L H X S+ 0 0 1 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.807 106.3 62.8 -62.2 -30.0 -10.0 58.0 14.1 239 389 B T H < S+ 0 0 60 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.928 111.3 38.4 -62.2 -40.9 -13.6 59.2 14.5 240 390 B Q H < S+ 0 0 21 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.753 120.0 46.4 -81.2 -23.4 -14.7 55.6 14.6 241 391 B L H >X S+ 0 0 0 -4,-1.6 3,-1.9 1,-0.1 4,-0.5 0.864 94.0 73.5 -86.3 -39.1 -11.8 54.3 16.7 242 392 B Q G >< S+ 0 0 42 -4,-2.8 3,-0.9 1,-0.3 -1,-0.1 0.753 83.2 66.7 -51.0 -34.0 -11.5 56.9 19.5 243 393 B P G 34 S+ 0 0 66 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.856 108.6 40.8 -59.4 -27.7 -14.6 55.8 21.4 244 394 B F G <4 S+ 0 0 40 -3,-1.9 -2,-0.2 -4,-0.2 2,-0.1 0.504 90.6 105.6 -98.0 -5.8 -12.8 52.5 22.2 245 395 B L << + 0 0 4 -3,-0.9 -80,-0.1 -4,-0.5 -81,-0.1 -0.470 38.1 175.9 -74.1 147.4 -9.3 53.8 22.9 246 396 B K S S+ 0 0 86 -82,-0.3 -1,-0.1 -2,-0.1 4,-0.1 0.626 77.8 28.0-122.9 -32.3 -8.2 54.0 26.5 247 397 B L S S+ 0 0 24 1,-0.1 4,-0.2 2,-0.1 3,-0.1 0.728 132.4 31.8-102.7 -25.6 -4.5 55.1 26.6 248 398 B K S > S+ 0 0 31 -84,-0.1 4,-2.1 1,-0.1 5,-0.1 0.175 81.3 108.2-118.0 19.2 -4.5 57.2 23.4 249 399 B Q H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.889 81.6 51.2 -64.2 -39.4 -8.0 58.6 23.2 250 400 B K H > S+ 0 0 142 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.940 109.3 49.8 -63.3 -46.1 -6.9 62.1 24.0 251 401 B Q H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.926 111.5 50.2 -57.5 -44.0 -4.2 62.0 21.3 252 402 B A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.927 110.6 47.5 -61.9 -44.3 -6.8 60.9 18.8 253 403 B N H X S+ 0 0 62 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.843 111.3 51.6 -69.2 -29.5 -9.3 63.6 19.7 254 404 B L H X S+ 0 0 23 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.900 108.8 50.7 -72.2 -39.4 -6.6 66.2 19.5 255 405 B V H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.931 110.1 50.6 -62.4 -42.5 -5.6 64.9 16.0 256 406 B L H X S+ 0 0 14 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.914 110.8 49.1 -59.7 -43.7 -9.2 65.1 15.0 257 407 B K H X S+ 0 0 92 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.881 109.9 50.9 -62.3 -43.1 -9.4 68.7 16.3 258 408 B I H X S+ 0 0 0 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.942 109.8 49.8 -61.8 -48.5 -6.2 69.7 14.4 259 409 B I H >< S+ 0 0 13 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.918 109.9 50.8 -56.1 -46.8 -7.5 68.3 11.1 260 410 B E H 3< S+ 0 0 115 -4,-2.2 4,-0.3 1,-0.3 -1,-0.2 0.855 115.5 43.2 -60.9 -35.7 -10.8 70.2 11.5 261 411 B Q H 3X S+ 0 0 62 -4,-1.8 4,-2.2 1,-0.2 -1,-0.3 0.452 84.0 98.5 -91.8 -0.4 -8.9 73.4 12.2 262 412 B L H S+ 0 0 95 0, 0.0 4,-0.7 0, 0.0 3,-0.4 0.946 113.6 38.4 -52.8 -51.9 -8.1 75.3 7.0 264 414 B S H >> S+ 0 0 37 -4,-0.3 4,-1.0 1,-0.2 3,-0.5 0.795 108.6 62.4 -71.9 -27.2 -8.2 78.2 9.4 265 415 B A H 3< S+ 0 0 0 -4,-2.2 7,-0.4 1,-0.2 -1,-0.2 0.837 101.2 56.1 -65.7 -28.5 -4.7 77.5 10.7 266 416 B K H 3< S+ 0 0 128 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.769 105.6 49.8 -71.3 -29.4 -3.6 78.1 7.1 267 417 B E H << S+ 0 0 160 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.640 113.1 40.1 -88.4 -15.2 -5.1 81.6 7.0 268 418 B S X - 0 0 46 -4,-1.0 4,-2.5 -3,-0.2 3,-0.3 -0.987 60.2-148.1-141.9 130.6 -3.7 83.1 10.2 269 419 B P H > S+ 0 0 55 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.880 106.2 52.2 -59.1 -38.7 -0.3 82.8 11.9 270 420 B D H > S+ 0 0 125 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.816 109.7 47.1 -68.6 -30.8 -2.0 83.1 15.3 271 421 B K H > S+ 0 0 45 -3,-0.3 4,-2.4 -7,-0.2 5,-0.2 0.882 109.3 55.9 -75.8 -36.7 -4.4 80.2 14.4 272 422 B F H X S+ 0 0 7 -4,-2.5 4,-2.3 -7,-0.4 -2,-0.2 0.912 109.0 47.5 -58.0 -45.6 -1.3 78.3 13.2 273 423 B L H X S+ 0 0 38 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.908 108.7 52.4 -63.1 -47.1 0.3 78.8 16.6 274 424 B E H X S+ 0 0 86 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.891 112.6 45.6 -58.9 -40.9 -2.8 77.7 18.5 275 425 B V H >X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 3,-0.8 0.892 108.3 56.4 -70.6 -36.1 -3.0 74.5 16.4 276 426 B C H 3X S+ 0 0 0 -4,-2.3 4,-0.9 1,-0.3 19,-0.4 0.774 101.7 58.9 -63.5 -23.7 0.7 74.0 16.9 277 427 B T H 3X S+ 0 0 45 -4,-1.4 4,-1.7 1,-0.2 -1,-0.3 0.786 99.9 55.1 -74.4 -28.1 -0.1 74.2 20.7 278 428 B W H S+ 0 0 12 -4,-2.0 5,-0.8 1,-0.3 -1,-0.2 0.875 109.2 53.3 -54.9 -37.3 3.6 64.9 22.3 284 434 B A H <5S+ 0 0 83 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.886 108.2 50.5 -66.6 -36.2 3.2 65.5 26.0 285 435 B L H <5S+ 0 0 60 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.822 107.2 62.9 -70.1 -31.9 0.6 62.7 26.2 286 436 B N T <5S- 0 0 32 -4,-2.1 2,-1.1 -5,-0.1 -114,-0.0 -0.164 106.2 -94.2 -81.2-176.0 2.9 60.2 24.3 287 437 B D T 5 - 0 0 58 -2,-0.0 2,-0.3 2,-0.0 -3,-0.1 -0.579 59.2-179.2 -97.3 66.9 6.2 59.0 25.6 288 438 B S < + 0 0 64 -2,-1.1 -5,-0.0 -5,-0.8 0, 0.0 -0.520 22.3 147.2 -73.0 132.1 8.1 61.7 23.8 289 439 B K + 0 0 173 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 0.401 68.6 41.8-144.9 -0.6 11.8 61.8 24.1 290 440 B T S S+ 0 0 118 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 0.114 72.3 141.2-134.1 21.8 13.4 63.0 20.8 291 441 B R + 0 0 75 1,-0.1 3,-0.1 -8,-0.1 -115,-0.0 -0.429 15.7 167.1 -68.9 139.1 11.1 65.9 19.8 292 442 B K + 0 0 171 1,-0.2 2,-0.6 -2,-0.1 -1,-0.1 0.698 56.8 60.3-119.1 -45.2 12.9 69.0 18.4 293 443 B T + 0 0 27 -116,-0.2 -116,-0.5 4,-0.1 -1,-0.2 -0.820 61.6 161.3 -99.0 120.3 10.2 71.3 16.8 294 444 B T >> - 0 0 36 -2,-0.6 4,-1.7 -3,-0.1 3,-0.7 -0.623 57.9 -90.2-124.2 179.3 7.5 72.7 19.0 295 445 B S H 3> S+ 0 0 22 -19,-0.4 4,-1.7 1,-0.3 -18,-0.1 0.694 126.9 60.7 -66.7 -15.0 5.0 75.6 18.9 296 446 B E H 3> S+ 0 0 94 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.842 101.9 51.6 -77.2 -34.8 7.7 77.6 20.6 297 447 B T H <> S+ 0 0 48 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.929 111.8 45.7 -65.4 -46.9 10.0 77.0 17.6 298 448 B V H X S+ 0 0 0 -4,-1.7 4,-3.0 1,-0.2 -2,-0.2 0.891 107.3 58.4 -63.8 -40.9 7.3 78.2 15.2 299 449 B R H < S+ 0 0 104 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.867 107.6 47.7 -57.4 -38.6 6.5 81.2 17.4 300 450 B A H >< S+ 0 0 50 -4,-1.5 3,-1.0 1,-0.2 -1,-0.2 0.900 112.5 47.7 -69.9 -42.6 10.2 82.3 17.0 301 451 B V H 3< S+ 0 0 72 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.903 97.4 69.4 -65.6 -41.9 10.2 81.8 13.2 302 452 B L T 3< 0 0 47 -4,-3.0 -1,-0.3 -5,-0.1 -2,-0.1 0.284 360.0 360.0 -62.6 16.8 6.9 83.7 12.8 303 453 B D < 0 0 148 -3,-1.0 -2,-0.2 -5,-0.1 -1,-0.1 0.495 360.0 360.0-127.2 360.0 9.0 86.7 13.7