==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN/DNA 10-MAY-10 2XE0 . COMPND 2 MOLECULE: I-CREI V2V3 VARIANT; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLAMYDOMONAS REINHARDTII; . AUTHOR I.G.MUNOZ,J.PRIETO,S.SUBRAMANIAN,J.COLOMA,P.REDONDO,M.VILLAT . 304 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15597.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 68.1 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 . 46 15.1 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 . 14 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 40.1 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+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 1 1 0 0 0 0 4 2 0 2 0 0 2 0 0 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 0 2 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 2 A N 0 0 178 0, 0.0 2,-0.3 0, 0.0 80,-0.0 0.000 360.0 360.0 360.0 114.6 33.9 35.3 -14.0 2 3 A T - 0 0 80 59,-0.1 2,-0.6 80,-0.0 60,-0.0 -0.551 360.0-143.9 -74.7 135.1 33.1 31.8 -12.9 3 4 A K - 0 0 159 -2,-0.3 2,-0.2 86,-0.0 83,-0.1 -0.884 20.0-145.0 -98.6 121.4 29.6 30.5 -13.3 4 5 A Y - 0 0 18 -2,-0.6 2,-0.1 1,-0.1 57,-0.0 -0.594 21.4-103.1 -87.2 145.4 28.7 28.2 -10.4 5 6 A N > - 0 0 107 -2,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.403 27.3-128.4 -65.0 142.8 26.5 25.2 -10.8 6 7 A K H > S+ 0 0 104 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.861 105.7 51.8 -63.3 -43.2 23.0 25.7 -9.5 7 8 A E H > S+ 0 0 104 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.838 109.1 52.1 -64.3 -35.4 22.9 22.7 -7.3 8 9 A F H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.906 110.2 48.4 -63.0 -45.1 26.1 23.7 -5.7 9 10 A L H X S+ 0 0 7 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.850 109.6 53.1 -64.6 -39.2 24.7 27.2 -5.0 10 11 A L H X S+ 0 0 8 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.915 113.0 42.1 -63.2 -48.1 21.5 25.8 -3.6 11 12 A Y H X S+ 0 0 8 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.932 116.2 49.3 -63.0 -45.1 23.3 23.5 -1.1 12 13 A L H X S+ 0 0 6 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.863 106.1 56.4 -63.5 -38.1 25.8 26.2 -0.2 13 14 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 82,-0.3 0.872 109.7 46.4 -62.9 -39.8 23.1 28.7 0.3 14 15 A G H X S+ 0 0 0 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.932 114.4 46.0 -65.1 -46.6 21.6 26.5 2.8 15 16 A F H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.4 0.815 113.4 50.4 -64.7 -37.8 24.9 25.7 4.5 16 17 A V H X S+ 0 0 0 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.891 103.9 57.4 -64.3 -42.6 25.7 29.4 4.5 17 18 A D H < S+ 0 0 3 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.838 118.7 35.9 -60.9 -30.9 22.4 30.3 6.0 18 19 A G H < S+ 0 0 14 -4,-1.2 -2,-0.2 -5,-0.1 -3,-0.1 0.963 138.0 7.1 -85.1 -62.4 23.4 28.0 8.8 19 20 A D H < S+ 0 0 45 -4,-2.8 26,-1.6 -5,-0.1 -3,-0.2 0.304 107.3 99.0-104.4 7.4 27.1 28.2 9.5 20 21 A G E < -A 44 0A 7 -4,-1.8 2,-0.3 -5,-0.4 24,-0.2 -0.369 53.0-151.2 -97.2 167.8 28.1 31.1 7.3 21 22 A S E -A 43 0A 34 22,-2.4 22,-2.3 -2,-0.1 2,-0.6 -0.973 8.6-164.0-143.1 129.3 28.6 34.8 7.8 22 23 A I E -A 42 0A 2 -2,-0.3 2,-0.4 20,-0.2 20,-0.2 -0.944 29.3-173.1-112.7 114.4 28.2 37.8 5.6 23 24 A I E -A 41 0A 31 18,-2.8 18,-2.4 -2,-0.6 2,-0.4 -0.872 23.9-174.0-121.5 133.8 30.1 40.7 7.2 24 25 A A E -A 40 0A 9 -2,-0.4 2,-0.3 104,-0.2 16,-0.2 -0.989 17.3-180.0-121.5 129.9 30.6 44.4 6.7 25 26 A Q E -A 39 0A 84 14,-2.6 14,-2.3 -2,-0.4 2,-0.5 -0.922 25.3-149.8-128.9 148.7 33.1 46.3 8.7 26 27 A I E -A 38 0A 8 116,-0.4 12,-0.2 -2,-0.3 116,-0.2 -0.970 25.3-163.0-114.6 112.3 34.3 49.9 9.0 27 28 A N E -A 37 0A 47 10,-4.1 10,-3.2 -2,-0.5 2,-0.7 -0.771 22.0-118.9-100.5 139.7 37.9 49.8 10.1 28 29 A P E +A 36 0A 89 0, 0.0 2,-0.5 0, 0.0 8,-0.3 -0.633 37.5 176.7 -78.1 113.8 39.6 52.9 11.6 29 30 A N - 0 0 58 6,-1.5 3,-0.4 -2,-0.7 6,-0.2 -0.954 22.1-166.7-122.1 113.6 42.5 53.7 9.3 30 31 A A S S+ 0 0 85 -2,-0.5 -1,-0.1 1,-0.2 5,-0.1 0.825 92.9 55.5 -62.3 -36.3 44.6 56.7 10.0 31 32 A S S S+ 0 0 103 -3,-0.1 -1,-0.2 4,-0.1 5,-0.1 0.794 90.1 91.0 -64.0 -33.0 46.1 56.5 6.6 32 33 A S S > S- 0 0 34 -3,-0.4 3,-0.7 1,-0.1 5,-0.1 -0.351 81.8-126.4 -71.1 150.4 42.8 56.5 4.8 33 34 A K T 3 S+ 0 0 149 1,-0.3 -1,-0.1 2,-0.1 82,-0.0 0.882 112.8 39.9 -63.8 -40.5 41.4 59.8 3.7 34 35 A F T 3 S- 0 0 24 2,-0.3 -1,-0.3 83,-0.0 115,-0.1 0.374 115.6-116.9 -91.0 3.2 38.1 59.3 5.5 35 36 A K S < S+ 0 0 113 -3,-0.7 -6,-1.5 -6,-0.2 2,-0.3 0.449 86.7 79.1 82.3 2.5 39.9 57.8 8.4 36 37 A H E -A 28 0A 15 -8,-0.3 2,-0.4 -6,-0.1 -2,-0.3 -0.994 63.2-147.6-140.9 146.1 38.3 54.4 7.9 37 38 A R E -A 27 0A 116 -10,-3.2 -10,-4.1 -2,-0.3 2,-0.3 -0.935 19.1-135.5-109.4 133.5 38.6 51.4 5.7 38 39 A L E -A 26 0A 27 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.2 -0.696 20.0-169.3 -78.4 138.8 35.7 49.3 4.6 39 40 A R E -A 25 0A 101 -14,-2.3 -14,-2.6 -2,-0.3 2,-0.5 -0.997 6.0-169.2-127.4 133.6 36.0 45.5 4.8 40 41 A L E +A 24 0A 6 -2,-0.4 2,-0.4 38,-0.3 -16,-0.2 -0.977 14.6 179.2-118.7 126.4 33.6 43.0 3.3 41 42 A T E -A 23 0A 8 -18,-2.4 -18,-2.8 -2,-0.5 2,-0.5 -0.985 24.8-157.2-133.8 140.4 34.0 39.4 4.2 42 43 A F E -AB 22 77A 0 35,-2.2 35,-2.6 -2,-0.4 2,-0.4 -0.967 27.8-175.7-108.5 128.6 32.2 36.1 3.4 43 44 A Y E -AB 21 76A 46 -22,-2.3 -22,-2.4 -2,-0.5 2,-0.4 -0.961 21.9-170.4-128.2 140.5 33.0 33.5 6.1 44 45 A V E -AB 20 75A 0 31,-2.1 31,-3.1 -2,-0.4 2,-0.4 -0.979 18.0-160.0-129.0 124.4 32.2 29.9 6.6 45 46 A T E + B 0 74A 44 -26,-1.6 2,-0.3 -2,-0.4 29,-0.2 -0.821 19.3 154.9-108.4 135.5 33.1 28.5 10.0 46 47 A Q E - B 0 73A 13 27,-2.5 27,-3.5 -2,-0.4 5,-0.1 -0.978 48.0 -86.4-153.9 155.6 33.6 24.9 10.9 47 48 A K E > - B 0 72A 74 -2,-0.3 3,-2.3 25,-0.3 25,-0.3 -0.289 41.0-119.8 -61.0 143.3 35.3 22.8 13.4 48 49 A T G > S+ 0 0 29 23,-2.8 3,-1.3 1,-0.3 4,-0.2 0.714 111.3 68.6 -64.1 -23.3 38.9 22.0 12.4 49 50 A Q G 3 S+ 0 0 121 22,-0.4 -1,-0.3 1,-0.2 3,-0.2 0.708 108.1 41.2 -63.7 -21.0 38.2 18.3 12.4 50 51 A R G X> S+ 0 0 42 -3,-2.3 3,-2.1 1,-0.1 4,-0.6 0.168 75.3 119.8-112.1 16.5 36.1 19.1 9.4 51 52 A R H <> + 0 0 72 -3,-1.3 4,-2.7 1,-0.3 5,-0.2 0.678 61.9 74.7 -65.0 -15.6 38.3 21.6 7.6 52 53 A W H 3> S+ 0 0 132 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.812 91.5 57.4 -60.7 -33.8 38.5 19.4 4.5 53 54 A F H <> S+ 0 0 15 -3,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.897 111.1 41.8 -65.3 -42.3 35.0 20.6 3.9 54 55 A L H X S+ 0 0 0 -4,-0.6 4,-1.1 2,-0.2 -2,-0.2 0.831 110.8 56.2 -66.7 -39.0 36.3 24.1 3.9 55 56 A D H X S+ 0 0 70 -4,-2.7 4,-1.0 1,-0.2 3,-0.3 0.875 106.1 51.2 -62.8 -39.9 39.4 23.2 1.9 56 57 A K H X S+ 0 0 78 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.833 103.4 62.2 -61.2 -37.1 37.1 21.8 -0.8 57 58 A L H X S+ 0 0 6 -4,-0.9 4,-2.5 1,-0.2 5,-0.4 0.817 96.8 54.9 -61.9 -37.5 35.3 25.1 -0.8 58 59 A V H X S+ 0 0 40 -4,-1.1 4,-2.2 -3,-0.3 -1,-0.2 0.895 111.0 47.6 -62.5 -41.0 38.3 27.0 -1.8 59 60 A D H < S+ 0 0 133 -4,-1.0 -2,-0.2 2,-0.2 -1,-0.2 0.900 114.7 43.6 -65.5 -47.8 38.5 24.7 -4.8 60 61 A E H < S+ 0 0 70 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.867 121.0 39.5 -66.4 -43.9 34.9 25.0 -5.8 61 62 A I H < S- 0 0 2 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.870 99.2-144.0 -68.2 -39.1 34.7 28.7 -5.3 62 63 A G < + 0 0 56 -4,-2.2 2,-0.3 -5,-0.4 -3,-0.1 0.353 69.5 62.0 91.7 -5.3 38.1 29.1 -6.8 63 64 A V S S+ 0 0 35 -6,-0.3 -1,-0.2 -5,-0.1 -2,-0.2 -0.904 72.9 47.7-141.5 167.6 39.2 31.9 -4.5 64 65 A G - 0 0 14 -2,-0.3 2,-0.3 -3,-0.1 13,-0.2 -0.307 60.8 -96.3 93.3-176.2 39.8 32.5 -0.9 65 66 A Y E -C 76 0A 173 11,-1.8 11,-2.7 -2,-0.1 2,-0.5 -0.946 10.8-129.2-144.0 157.5 41.5 30.9 2.1 66 67 A V E -C 75 0A 27 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.967 23.7-166.7-114.2 125.8 41.1 28.7 5.1 67 68 A R E -C 74 0A 137 7,-2.5 7,-2.6 -2,-0.5 2,-0.4 -0.884 8.1-148.8-111.7 143.9 42.4 29.9 8.4 68 69 A D E +C 73 0A 81 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.893 18.1 179.0-121.3 136.2 42.8 27.7 11.4 69 70 A S E > -C 72 0A 74 3,-2.4 2,-1.4 -2,-0.4 3,-1.3 -0.565 56.7 -90.1-132.2 74.7 42.5 28.3 15.2 70 71 A G T 3 S+ 0 0 70 1,-0.3 -1,-0.1 -2,-0.1 -22,-0.1 -0.408 118.8 17.0 65.3-101.9 43.1 25.3 17.2 71 72 A S T 3 S+ 0 0 85 -2,-1.4 -23,-2.8 -24,-0.1 -22,-0.4 0.827 126.3 41.9 -70.8 -38.3 39.6 24.0 17.4 72 73 A V E < -BC 47 69A 51 -3,-1.3 -3,-2.4 -25,-0.3 2,-0.3 -0.844 59.7-161.7-125.2 150.3 37.8 25.8 14.7 73 74 A S E -BC 46 68A 1 -27,-3.5 -27,-2.5 -2,-0.3 2,-0.3 -0.871 6.5-153.2-128.4 157.1 38.5 26.8 11.1 74 75 A Q E -BC 45 67A 38 -7,-2.6 -7,-2.5 -2,-0.3 2,-0.5 -0.994 14.3-143.0-135.0 140.8 37.2 29.3 8.7 75 76 A Y E -BC 44 66A 0 -31,-3.1 -31,-2.1 -2,-0.3 2,-0.4 -0.819 30.6-170.2 -86.6 128.8 36.8 29.9 5.0 76 77 A V E -BC 43 65A 25 -11,-2.7 -11,-1.8 -2,-0.5 2,-0.5 -0.984 17.5-178.9-127.5 128.9 37.3 33.5 4.2 77 78 A L E +B 42 0A 2 -35,-2.6 -35,-2.2 -2,-0.4 -2,-0.0 -0.971 19.5 148.5-124.3 117.3 36.7 35.4 1.0 78 79 A S + 0 0 30 -2,-0.5 -38,-0.3 -37,-0.2 2,-0.3 0.555 31.1 113.9-119.1 -17.7 37.5 39.1 1.0 79 80 A E > - 0 0 111 1,-0.1 4,-2.2 4,-0.1 5,-0.2 -0.448 61.8-138.0 -70.7 127.0 38.6 40.1 -2.4 80 81 A I H > S+ 0 0 69 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.832 91.2 44.9 -62.8 -46.5 36.1 42.4 -3.9 81 82 A A H > S+ 0 0 70 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.945 117.9 43.0 -66.2 -44.8 35.6 41.3 -7.5 82 83 A P H > S+ 0 0 25 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.851 114.7 53.7 -63.4 -36.2 35.4 37.5 -6.8 83 84 A L H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.928 107.7 48.3 -63.8 -46.8 33.2 38.4 -3.8 84 85 A H H X S+ 0 0 52 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.907 113.7 48.9 -62.0 -41.2 30.8 40.4 -5.9 85 86 A N H X S+ 0 0 23 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.912 113.4 44.0 -64.4 -46.6 30.6 37.6 -8.4 86 87 A F H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.916 115.1 48.6 -64.3 -45.9 30.0 34.8 -5.9 87 88 A L H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.841 105.4 57.9 -63.5 -34.3 27.4 36.8 -4.0 88 89 A T H < S+ 0 0 59 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.926 113.0 40.9 -61.9 -46.3 25.5 37.7 -7.1 89 90 A Q H < S+ 0 0 39 -4,-1.4 4,-0.3 -5,-0.2 -2,-0.2 0.811 117.8 47.5 -67.3 -38.8 25.1 34.1 -7.9 90 91 A L H >X S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 4,-0.7 0.885 93.6 73.6 -67.8 -40.8 24.4 33.0 -4.2 91 92 A Q T 3< S+ 0 0 40 -4,-2.3 3,-0.2 1,-0.3 -1,-0.2 0.710 84.5 63.5 -60.8 -28.2 21.8 35.6 -3.2 92 93 A P T 34 S+ 0 0 67 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.884 110.0 43.2 -60.4 -34.6 18.9 34.3 -5.2 93 94 A F T <4 S+ 0 0 43 -3,-1.9 -2,-0.2 -4,-0.3 -3,-0.1 0.619 92.7 98.2 -91.4 -14.8 19.1 31.1 -3.0 94 95 A L < + 0 0 6 -4,-0.7 -80,-0.1 -3,-0.2 -81,-0.1 -0.367 36.9 172.0 -71.0 149.5 19.6 32.6 0.4 95 96 A K S > S+ 0 0 92 -82,-0.3 3,-0.5 -2,-0.1 4,-0.3 0.655 78.7 32.1-118.0 -60.8 16.9 33.1 2.9 96 97 A L T 3 S+ 0 0 26 1,-0.2 4,-0.1 2,-0.1 3,-0.1 0.818 133.6 31.2 -64.1 -35.7 18.2 34.1 6.3 97 98 A K T 3> S+ 0 0 32 -84,-0.1 4,-1.5 1,-0.1 -1,-0.2 0.167 84.1 106.8-115.2 15.7 21.1 36.0 4.7 98 99 A Q H <> S+ 0 0 64 -3,-0.5 4,-1.9 1,-0.2 5,-0.2 0.880 81.0 50.6 -63.5 -41.8 19.8 37.3 1.4 99 100 A K H > S+ 0 0 110 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.882 107.8 53.4 -64.2 -37.8 19.4 40.9 2.5 100 101 A Q H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.891 108.5 50.5 -62.3 -41.6 23.0 41.0 3.8 101 102 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.896 110.0 49.7 -63.5 -43.2 24.3 39.7 0.5 102 103 A N H X S+ 0 0 42 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.863 109.8 51.4 -63.5 -39.7 22.3 42.4 -1.4 103 104 A L H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.902 108.8 50.4 -64.2 -40.2 23.7 45.0 0.9 104 105 A V H X S+ 0 0 3 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.909 110.0 50.5 -63.7 -40.7 27.2 43.8 0.3 105 106 A L H X S+ 0 0 13 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.885 109.5 52.0 -62.7 -39.9 26.7 43.9 -3.4 106 107 A K H X S+ 0 0 100 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.916 109.0 48.8 -63.1 -45.8 25.3 47.4 -3.1 107 108 A I H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.915 112.2 47.6 -61.5 -45.3 28.3 48.7 -1.2 108 109 A I H >< S+ 0 0 17 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.885 111.0 51.6 -63.2 -43.9 30.8 47.2 -3.6 109 110 A E H 3< S+ 0 0 107 -4,-2.0 -1,-0.2 1,-0.3 4,-0.2 0.778 116.6 40.5 -62.8 -31.9 29.0 48.6 -6.6 110 111 A Q T 3X S+ 0 0 90 -4,-1.4 4,-1.9 -3,-0.2 -1,-0.3 0.185 86.3 104.4-103.8 12.6 29.0 52.0 -5.0 111 112 A L H <> S+ 0 0 35 -3,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.941 75.4 51.5 -63.9 -47.9 32.4 51.9 -3.7 112 113 A P H > S+ 0 0 88 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.898 113.6 45.1 -61.2 -40.6 34.1 54.1 -6.2 113 114 A S H >4 S+ 0 0 73 1,-0.2 3,-0.9 -4,-0.2 -2,-0.2 0.902 107.2 60.0 -62.7 -41.0 31.6 56.8 -5.7 114 115 A A H 3< S+ 0 0 1 -4,-1.9 7,-0.3 1,-0.3 3,-0.3 0.844 100.4 56.3 -61.1 -33.9 31.8 56.3 -2.0 115 116 A K H 3< S+ 0 0 128 -4,-1.7 2,-1.0 1,-0.2 -1,-0.3 0.778 97.4 64.1 -66.2 -33.4 35.5 57.2 -2.2 116 117 A A S << S+ 0 0 75 -3,-0.9 -1,-0.2 -4,-0.9 4,-0.1 -0.507 108.7 21.4 -91.1 64.8 34.9 60.6 -3.9 117 118 A S > - 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E 0 226B 13 27,-2.5 27,-3.5 -2,-0.3 2,-0.1 -0.973 47.9 -85.1-157.8 157.5 17.5 28.3 15.5 200 48 B K E > - E 0 225B 74 -2,-0.3 3,-2.9 25,-0.3 25,-0.3 -0.406 41.7-120.7 -63.0 141.2 17.1 31.5 17.6 201 49 B T G > S+ 0 0 41 23,-2.1 3,-1.9 1,-0.3 4,-0.2 0.721 110.8 70.0 -62.7 -22.7 13.5 32.1 18.4 202 50 B Q G 3 S+ 0 0 122 22,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.744 106.1 42.4 -63.4 -22.9 13.7 35.5 16.7 203 51 B R G X> S+ 0 0 39 -3,-2.9 3,-1.8 1,-0.1 4,-0.7 -0.055 75.5 121.7-112.1 27.8 13.9 33.4 13.6 204 52 B R H <> + 0 0 76 -3,-1.9 4,-2.2 1,-0.3 5,-0.3 0.767 62.6 74.9 -63.8 -22.3 11.2 30.9 14.6 205 53 B W H 3> S+ 0 0 133 1,-0.2 4,-1.5 -3,-0.2 -1,-0.3 0.799 90.3 56.1 -61.5 -30.8 9.4 31.8 11.5 206 54 B F H <> S+ 0 0 14 -3,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.880 109.4 44.2 -67.4 -45.0 11.9 29.8 9.5 207 55 B L H X S+ 0 0 0 -4,-0.7 4,-1.4 -3,-0.2 -2,-0.2 0.819 109.4 55.4 -65.5 -38.4 11.2 26.6 11.5 208 56 B D H X S+ 0 0 56 -4,-2.2 4,-1.6 1,-0.2 3,-0.3 0.902 105.5 54.5 -61.7 -40.5 7.5 27.1 11.3 209 57 B K H X S+ 0 0 104 -4,-1.5 4,-2.4 -5,-0.3 -1,-0.2 0.837 102.5 58.1 -60.3 -35.0 7.9 27.3 7.6 210 58 B L H X S+ 0 0 4 -4,-0.8 4,-2.9 2,-0.2 5,-0.5 0.864 101.5 52.8 -64.3 -38.8 9.7 24.0 7.9 211 59 B V H X S+ 0 0 34 -4,-1.4 4,-2.1 -3,-0.3 -1,-0.2 0.919 111.7 47.7 -62.7 -42.1 6.7 22.3 9.4 212 60 B D H < S+ 0 0 129 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.915 116.8 42.2 -62.6 -48.3 4.6 23.6 6.5 213 61 B E H < S+ 0 0 73 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.863 122.2 37.4 -67.4 -45.5 7.1 22.4 3.9 214 62 B I H < S- 0 0 3 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.838 98.7-145.9 -70.0 -37.2 7.9 19.1 5.4 215 63 B G < + 0 0 58 -4,-2.1 2,-0.3 -5,-0.5 -3,-0.1 0.466 68.4 61.7 85.6 4.6 4.3 18.8 6.4 216 64 B V S S+ 0 0 36 -6,-0.3 -1,-0.2 -5,-0.2 -2,-0.2 -0.936 71.4 54.5-153.0 164.8 4.9 16.9 9.6 217 65 B G - 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0 0 90 1,-0.2 4,-2.2 4,-0.1 5,-0.2 -0.384 62.4-141.0 -59.5 122.5 7.6 9.8 14.2 233 81 B I H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.806 91.6 51.5 -63.1 -38.7 9.5 6.9 12.5 234 82 B K H > S+ 0 0 136 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.955 115.8 39.7 -64.9 -50.6 7.4 6.5 9.4 235 83 B P H > S+ 0 0 20 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.852 115.2 55.3 -63.9 -37.6 7.6 10.2 8.3 236 84 B L H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.870 107.0 49.6 -62.4 -41.9 11.2 10.2 9.5 237 85 B H H X S+ 0 0 53 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.923 113.3 45.8 -63.6 -45.1 12.1 7.3 7.2 238 86 B N H X S+ 0 0 28 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.922 115.3 46.0 -62.8 -46.9 10.4 8.9 4.2 239 87 B F H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.930 114.7 45.9 -63.9 -48.6 12.0 12.3 4.8 240 88 B L H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.773 106.3 59.3 -65.4 -31.3 15.5 11.0 5.4 241 89 B T H < S+ 0 0 64 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.926 113.5 39.9 -63.3 -45.1 15.3 8.7 2.5 242 90 B Q H < S+ 0 0 31 -4,-1.6 4,-0.3 -5,-0.2 -2,-0.2 0.866 118.1 47.2 -67.8 -41.6 14.7 11.7 0.4 243 91 B L H >X S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 4,-0.5 0.828 93.0 77.2 -65.7 -36.5 17.2 14.0 2.2 244 92 B Q G >< S+ 0 0 39 -4,-2.2 3,-0.8 1,-0.3 -1,-0.2 0.726 82.5 60.5 -61.2 -32.9 20.2 11.7 2.4 245 93 B P G 34 S+ 0 0 67 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.832 109.4 45.9 -61.6 -32.4 21.6 12.0 -1.1 246 94 B F G <4 S+ 0 0 42 -3,-1.4 2,-0.2 -4,-0.3 -2,-0.2 0.518 91.7 98.2 -89.6 -9.3 22.1 15.7 -0.7 247 95 B L << + 0 0 3 -3,-0.8 -80,-0.1 -4,-0.5 -81,-0.1 -0.562 38.6 170.7 -77.6 144.1 23.7 15.6 2.7 248 96 B K S S+ 0 0 84 -82,-0.2 3,-0.3 -2,-0.2 4,-0.2 0.691 77.2 32.5-114.6 -54.5 27.4 15.7 3.0 249 97 B L S S+ 0 0 30 1,-0.2 3,-0.2 2,-0.1 4,-0.2 0.864 131.6 31.2 -67.4 -42.7 28.3 16.1 6.7 250 98 B K S > S+ 0 0 34 1,-0.2 4,-1.5 -84,-0.1 -1,-0.2 0.071 84.2 111.9-108.9 20.3 25.5 14.2 8.1 251 99 B Q H > S+ 0 0 66 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.919 78.4 48.3 -62.2 -44.9 25.0 11.7 5.3 252 100 B K H > S+ 0 0 137 -4,-0.2 4,-2.7 1,-0.2 5,-0.2 0.884 109.0 53.1 -63.2 -40.1 26.2 8.7 7.3 253 101 B Q H > S+ 0 0 7 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.854 108.0 52.3 -62.7 -38.0 24.0 9.5 10.3 254 102 B A H X S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.901 112.2 44.6 -64.5 -44.1 21.0 9.7 8.0 255 103 B N H X S+ 0 0 68 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.869 111.2 52.1 -65.5 -42.3 21.8 6.2 6.6 256 104 B L H X S+ 0 0 29 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.837 110.3 50.2 -63.4 -37.2 22.5 4.7 9.9 257 105 B V H X S+ 0 0 2 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.889 109.1 51.0 -64.9 -42.9 19.2 6.0 11.2 258 106 B L H X S+ 0 0 13 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.908 111.2 48.6 -63.5 -42.4 17.4 4.6 8.2 259 107 B A H X S+ 0 0 31 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.890 108.3 53.4 -63.0 -40.5 18.9 1.2 8.8 260 108 B I H < S+ 0 0 1 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.928 108.9 49.5 -60.7 -44.5 18.0 1.2 12.4 261 109 B I H >< S+ 0 0 19 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.871 110.6 50.7 -62.0 -41.6 14.4 1.9 11.6 262 110 B E H 3< S+ 0 0 103 -4,-1.6 -1,-0.2 1,-0.2 4,-0.2 0.838 111.8 46.5 -64.8 -35.9 14.4 -0.9 9.1 263 111 B Q T 3X S+ 0 0 77 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.191 81.6 105.6 -94.1 14.1 15.8 -3.4 11.5 264 112 B L H <> S+ 0 0 34 -3,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.930 75.4 53.2 -62.6 -44.0 13.5 -2.4 14.3 265 113 B P H > S+ 0 0 88 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.883 112.4 45.8 -61.6 -39.2 11.3 -5.5 14.0 266 114 B S H > S+ 0 0 52 -4,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.818 105.7 61.5 -65.2 -34.4 14.4 -7.6 14.3 267 115 B A H < S+ 0 0 1 -4,-1.8 7,-0.3 1,-0.2 -1,-0.2 0.860 104.2 49.5 -63.5 -36.8 15.6 -5.4 17.2 268 116 B K H < S+ 0 0 116 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.817 103.7 58.8 -66.1 -38.6 12.5 -6.4 19.2 269 117 B A H < S+ 0 0 81 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.886 112.5 22.9 -65.9 -42.6 12.8 -10.2 18.7 270 118 B S X - 0 0 41 -4,-1.3 4,-2.0 1,-0.1 -1,-0.1 -0.970 59.3-139.0-134.2 147.0 16.2 -10.7 20.2 271 119 B P H > S+ 0 0 53 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.863 107.6 51.9 -63.9 -42.7 18.6 -9.1 22.7 272 120 B D H > S+ 0 0 122 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.845 112.3 47.9 -64.6 -35.9 21.7 -9.8 20.6 273 121 B A H > S+ 0 0 25 2,-0.2 4,-1.6 -7,-0.2 -1,-0.2 0.860 111.3 50.1 -66.4 -40.4 19.9 -8.2 17.7 274 122 B F H X S+ 0 0 16 -4,-2.0 4,-1.6 -7,-0.3 -2,-0.2 0.916 108.2 54.0 -63.0 -43.5 18.9 -5.3 19.9 275 123 B L H X S+ 0 0 24 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.821 105.9 50.8 -63.6 -38.7 22.4 -4.9 21.0 276 124 B E H X S+ 0 0 108 -4,-1.2 4,-1.0 2,-0.2 3,-0.3 0.846 107.9 53.2 -65.9 -38.4 23.7 -4.7 17.5 277 125 B V H X S+ 0 0 3 -4,-1.6 4,-1.0 1,-0.2 -2,-0.2 0.812 104.9 57.1 -65.6 -32.0 21.2 -2.0 16.7 278 126 B C H X S+ 0 0 0 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.780 100.0 57.4 -64.2 -35.3 22.5 -0.2 19.7 279 127 B T H X S+ 0 0 41 -4,-1.0 4,-1.3 -3,-0.3 -1,-0.2 0.776 101.4 56.3 -66.9 -32.3 26.0 -0.2 18.3 280 128 B W H X S+ 0 0 47 -4,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.842 103.3 54.1 -63.9 -38.2 24.6 1.6 15.3 281 129 B V H X S+ 0 0 2 -4,-1.0 4,-2.1 1,-0.2 -2,-0.2 0.864 105.0 55.5 -62.8 -36.8 23.4 4.3 17.6 282 130 B D H X S+ 0 0 31 -4,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.857 104.4 52.3 -64.0 -39.6 26.9 4.5 18.9 283 131 B Q H X S+ 0 0 99 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.899 107.4 51.9 -63.6 -41.9 28.2 5.1 15.4 284 132 B I H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.933 110.8 47.5 -62.1 -46.1 25.8 7.9 14.9 285 133 B A H <>S+ 0 0 9 -4,-2.1 5,-0.7 1,-0.2 -1,-0.2 0.854 109.9 53.1 -62.9 -37.6 26.8 9.6 18.1 286 134 B A H <5S+ 0 0 79 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.881 108.3 50.3 -63.7 -39.3 30.5 9.2 17.3 287 135 B L H <5S+ 0 0 57 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.858 106.9 68.5 -62.9 -39.1 29.9 10.9 13.9 288 136 B N T <5S- 0 0 29 -4,-1.7 2,-1.7 -5,-0.2 -114,-0.0 -0.207 105.3 -98.1 -72.7 166.2 28.1 13.7 15.8 289 137 B D T 5 - 0 0 59 -2,-0.0 2,-0.3 2,-0.0 -3,-0.1 -0.547 54.8-170.3 -85.5 73.5 29.9 16.1 18.0 290 138 B S < + 0 0 62 -2,-1.7 -5,-0.0 -5,-0.7 -4,-0.0 -0.483 26.0 149.7 -76.7 123.9 28.9 14.2 21.1 291 139 B K + 0 0 174 -2,-0.3 -1,-0.2 0, 0.0 -2,-0.0 0.614 69.1 33.8-123.6 -23.4 29.5 15.8 24.4 292 140 B T S S+ 0 0 139 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.116 72.7 144.1-126.9 21.6 26.9 14.7 27.0 293 141 B R + 0 0 92 1,-0.1 3,-0.1 -8,-0.1 -115,-0.0 -0.472 12.6 165.4 -72.4 128.2 26.0 11.1 26.1 294 142 B A + 0 0 85 -2,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.796 55.8 62.5-104.0 -45.7 25.3 8.8 29.1 295 143 B T + 0 0 30 -116,-0.2 -116,-0.4 4,-0.1 2,-0.2 -0.802 62.7 163.9-104.0 129.9 23.6 5.6 27.7 296 144 B T > - 0 0 34 -2,-0.4 4,-1.6 -118,-0.1 -17,-0.1 -0.577 56.6 -92.4-133.7 174.8 25.5 3.4 25.3 297 145 B S H > S+ 0 0 11 -19,-0.2 4,-0.7 2,-0.2 -18,-0.1 0.885 128.3 57.2 -63.3 -34.4 25.5 -0.1 23.8 298 146 B A H >4 S+ 0 0 60 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.915 103.0 51.1 -62.4 -41.6 27.8 -0.8 26.7 299 147 B T H 34 S+ 0 0 61 1,-0.3 -1,-0.2 3,-0.1 -2,-0.2 0.895 101.8 64.0 -61.4 -35.2 25.1 0.3 29.1 300 148 B V H >< S+ 0 0 5 -4,-1.6 2,-2.3 1,-0.3 3,-1.2 0.723 75.5 85.6 -67.6 -17.0 22.8 -2.0 27.3 301 149 B R T << + 0 0 130 -3,-1.2 -1,-0.3 -4,-0.7 3,-0.1 -0.260 52.8 107.0 -80.5 52.5 24.8 -5.0 28.4 302 150 B A T 3 + 0 0 59 -2,-2.3 -1,-0.3 -115,-0.2 -2,-0.1 0.184 53.9 94.6 -91.6 -3.5 22.6 -4.7 31.4 303 151 B A < + 0 0 46 -3,-1.2 2,-1.3 1,-0.1 -2,-0.1 0.299 51.4 103.6 -72.6 11.6 21.4 -7.7 29.5 304 152 B L 0 0 144 -3,-0.1 -1,-0.1 -4,-0.0 -3,-0.0 -0.755 360.0 360.0 -97.3 86.4 23.7 -9.6 31.8 305 153 B D 0 0 175 -2,-1.3 -3,-0.0 0, 0.0 -2,-0.0 -0.917 360.0 360.0-166.2 360.0 21.0 -10.9 33.9