==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-SEP-07 2VBN . COMPND 2 MOLECULE: DNA ENDONUCLEASE I-CREI; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLAMYDOMONAS REINHARDTII; . AUTHOR P.REDONDO,J.PRIETO,I.G.MUNOZ,A.ALIBES,F.STRICHER,L.SERRANO, . 305 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15786.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 71.5 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 . 45 14.8 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 0.7 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 . 13 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0 2 0 0 0 0 0 4 0 0 2 0 0 4 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 1 1 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 1 A M 0 0 129 0, 0.0 3,-0.0 0, 0.0 81,-0.0 0.000 360.0 360.0 360.0 85.9 -12.5 9.4 9.4 2 2 A N - 0 0 119 1,-0.0 80,-0.0 81,-0.0 0, 0.0 0.752 360.0-152.1 68.0 54.4 -11.2 10.1 12.8 3 3 A T - 0 0 61 59,-0.1 2,-0.6 1,-0.1 -1,-0.0 -0.298 7.1-124.7 -46.1 140.5 -10.9 6.4 13.0 4 4 A K - 0 0 170 86,-0.0 2,-0.3 -3,-0.0 -1,-0.1 -0.892 24.2-149.6 -99.1 121.6 -11.2 5.2 16.6 5 5 A Y - 0 0 13 -2,-0.6 2,-0.1 1,-0.1 57,-0.1 -0.716 16.2-113.6 -96.3 146.1 -8.2 3.0 17.7 6 6 A N > - 0 0 120 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.392 19.4-122.3 -84.5 152.0 -8.4 0.2 20.2 7 7 A K H > S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.903 106.7 45.6 -61.8 -48.2 -6.7 0.3 23.6 8 8 A E H > S+ 0 0 103 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.866 113.5 52.0 -72.9 -30.3 -4.5 -2.8 23.5 9 9 A F H > S+ 0 0 32 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.958 111.1 46.8 -61.8 -54.8 -3.4 -1.9 20.0 10 10 A L H X S+ 0 0 8 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.828 111.8 51.9 -58.4 -36.6 -2.4 1.6 21.1 11 11 A L H X S+ 0 0 8 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.947 114.1 40.5 -68.4 -49.3 -0.6 0.3 24.1 12 12 A Y H X S+ 0 0 6 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.932 117.8 49.1 -61.0 -44.3 1.5 -2.2 22.2 13 13 A L H X S+ 0 0 2 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.894 105.2 57.1 -70.6 -37.3 2.1 0.2 19.4 14 14 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.933 109.9 46.3 -54.7 -50.5 3.1 3.0 21.8 15 15 A G H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.935 113.5 48.4 -49.7 -52.8 5.9 0.6 23.2 16 16 A F H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.5 0.891 112.5 48.2 -64.9 -36.6 7.0 -0.3 19.7 17 17 A V H X S+ 0 0 0 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.894 105.5 56.4 -71.5 -41.2 7.1 3.3 18.6 18 18 A D H < S+ 0 0 2 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.840 119.0 38.2 -57.5 -29.6 9.1 4.4 21.7 19 19 A G H < S+ 0 0 13 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.964 137.3 4.2 -80.7 -70.3 11.5 1.7 20.4 20 20 A D H < S+ 0 0 42 -4,-3.0 26,-2.0 -5,-0.1 -3,-0.2 0.259 107.9 93.8-107.3 5.2 11.8 1.7 16.6 21 21 A G E < -A 45 0A 8 -4,-1.5 2,-0.3 -5,-0.5 24,-0.3 -0.470 52.7-154.3 -97.7 174.6 9.6 4.7 15.7 22 22 A S E -A 44 0A 28 22,-2.9 22,-2.7 -2,-0.1 2,-0.5 -0.985 8.6-157.7-149.6 135.3 10.3 8.3 15.0 23 23 A I E -A 43 0A 1 -2,-0.3 2,-0.4 20,-0.2 20,-0.2 -0.977 29.6-174.5-116.1 116.5 8.2 11.5 15.3 24 24 A I E -A 42 0A 35 18,-2.7 18,-3.0 -2,-0.5 2,-0.4 -0.908 21.6-172.1-126.3 132.1 9.8 14.1 13.0 25 25 A A E -A 41 0A 7 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.996 17.2-178.7-121.1 134.2 9.1 17.7 12.3 26 26 A Q E -A 40 0A 75 14,-2.6 14,-2.5 -2,-0.4 2,-0.5 -0.936 27.2-147.2-132.0 154.3 11.0 19.5 9.4 27 27 A I E -A 39 0A 7 116,-0.4 12,-0.2 -2,-0.3 116,-0.2 -0.996 25.4-163.9-115.6 114.8 11.3 22.9 7.8 28 28 A K E -A 38 0A 82 10,-3.3 10,-2.9 -2,-0.5 2,-0.1 -0.944 18.8-126.5-110.8 121.1 11.9 22.4 4.1 29 29 A P E +A 37 0A 85 0, 0.0 8,-0.3 0, 0.0 2,-0.2 -0.444 41.3 161.6 -63.8 136.1 13.2 25.4 2.1 30 30 A N > - 0 0 65 6,-2.9 3,-2.0 -2,-0.1 6,-0.2 -0.757 33.6-154.0-166.1 111.0 11.0 25.8 -0.8 31 31 A Q T 3 S+ 0 0 176 1,-0.3 5,-0.1 -2,-0.2 6,-0.1 0.600 92.1 62.5 -69.0 -14.1 10.8 29.0 -2.8 32 32 A S T 3 S+ 0 0 110 4,-0.1 -1,-0.3 3,-0.1 2,-0.3 0.507 85.3 92.6 -96.4 1.0 7.3 28.4 -4.0 33 33 A S S X S- 0 0 32 -3,-2.0 3,-2.6 1,-0.1 -3,-0.1 -0.657 90.6-105.7 -89.1 148.4 5.8 28.5 -0.4 34 34 A K T 3 S+ 0 0 137 1,-0.3 -1,-0.1 -2,-0.3 4,-0.1 0.802 120.6 24.1 -35.2 -51.9 4.4 31.7 1.2 35 35 A F T 3 S- 0 0 34 2,-0.5 -1,-0.3 -5,-0.1 -4,-0.1 0.115 118.1-101.1-110.8 23.9 7.3 32.1 3.5 36 36 A K S < S+ 0 0 113 -3,-2.6 -6,-2.9 -6,-0.2 2,-0.3 0.571 98.0 78.0 73.3 14.5 9.9 30.2 1.4 37 37 A H E -A 29 0A 21 -8,-0.3 -2,-0.5 -6,-0.1 2,-0.4 -0.994 64.4-146.0-151.3 148.4 9.6 27.1 3.6 38 38 A R E -A 28 0A 136 -10,-2.9 -10,-3.3 -2,-0.3 2,-0.5 -0.925 17.4-134.6-113.8 134.7 7.2 24.2 4.0 39 39 A L E -A 27 0A 24 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.2 -0.808 24.1-170.8 -83.5 128.6 6.5 22.6 7.3 40 40 A S E -A 26 0A 15 -14,-2.5 -14,-2.6 -2,-0.5 2,-0.4 -0.979 5.8-168.7-125.0 131.5 6.5 18.8 7.1 41 41 A L E -A 25 0A 5 -2,-0.4 2,-0.4 38,-0.3 -16,-0.2 -0.968 11.0-178.3-122.5 132.8 5.4 16.4 10.0 42 42 A T E -A 24 0A 15 -18,-3.0 -18,-2.7 -2,-0.4 2,-0.5 -0.992 24.5-160.7-136.2 136.0 6.0 12.7 9.9 43 43 A F E +AB 23 78A 0 35,-2.7 35,-2.2 -2,-0.4 2,-0.4 -0.965 30.6 178.5-105.6 130.2 5.2 9.7 12.0 44 44 A Q E -AB 22 77A 48 -22,-2.7 -22,-2.9 -2,-0.5 2,-0.4 -0.982 23.1-168.3-138.0 139.4 7.6 6.9 10.9 45 45 A V E -AB 21 76A 0 31,-2.1 31,-2.4 -2,-0.4 2,-0.3 -0.993 17.8-156.6-126.8 123.4 8.3 3.3 12.0 46 46 A T E + B 0 75A 41 -26,-2.0 2,-0.3 -2,-0.4 29,-0.2 -0.726 19.4 158.7 -99.9 147.8 11.4 1.6 10.6 47 47 A Q E - B 0 74A 15 27,-2.2 27,-3.5 -2,-0.3 -2,-0.0 -0.924 48.3 -89.3-162.6 145.6 12.1 -2.2 10.2 48 48 A K E > - B 0 73A 79 -2,-0.3 3,-2.6 25,-0.3 25,-0.3 -0.230 45.5-118.1 -47.8 134.0 14.4 -4.5 8.3 49 49 A T G > S+ 0 0 42 23,-2.0 3,-2.2 1,-0.3 4,-0.3 0.796 111.4 71.1 -59.9 -28.2 12.6 -5.3 5.0 50 50 A Q G 3 S+ 0 0 133 22,-0.4 -1,-0.3 1,-0.3 3,-0.3 0.795 105.0 44.1 -54.9 -21.5 12.5 -9.0 5.9 51 51 A R G X> S+ 0 0 41 -3,-2.6 3,-1.5 1,-0.2 4,-0.7 0.015 74.6 120.6-108.8 25.1 9.8 -7.9 8.5 52 52 A R H X> + 0 0 74 -3,-2.2 4,-2.9 1,-0.3 3,-0.6 0.831 60.8 74.6 -63.3 -28.8 8.0 -5.5 6.2 53 53 A W H 3> S+ 0 0 130 -4,-0.3 4,-2.5 -3,-0.3 -1,-0.3 0.863 92.3 55.3 -48.5 -38.3 4.8 -7.6 6.8 54 54 A F H <> S+ 0 0 13 -3,-1.5 4,-1.1 2,-0.2 -1,-0.3 0.880 110.6 44.1 -65.6 -39.8 4.7 -5.9 10.2 55 55 A L H S+ 0 0 3 -4,-1.1 4,-3.4 1,-0.2 5,-0.6 0.875 99.2 56.0 -60.8 -36.7 0.3 -1.0 10.3 59 59 A V H X5S+ 0 0 44 -4,-1.4 4,-1.8 -3,-0.5 -1,-0.2 0.927 111.2 43.8 -53.9 -45.8 -1.3 0.4 7.1 60 60 A D H <5S+ 0 0 133 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.948 117.8 44.6 -68.4 -42.5 -4.3 -1.8 7.7 61 61 A E H <5S+ 0 0 54 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.929 121.1 36.4 -70.4 -47.2 -4.5 -1.1 11.4 62 62 A I H <5S- 0 0 1 -4,-3.4 -1,-0.2 -5,-0.2 -3,-0.2 0.843 100.4-140.3 -77.7 -28.6 -4.0 2.7 11.2 63 63 A G S < -C 73 0A 69 3,-3.2 3,-1.7 -2,-0.3 2,-0.3 -0.886 59.9 -44.8-158.7 106.5 15.1 1.9 1.1 71 71 A G T 3 S- 0 0 87 -2,-0.3 -2,-0.0 1,-0.2 -22,-0.0 -0.506 123.2 -20.7 61.1-122.1 18.3 -0.2 1.1 72 72 A S T 3 S+ 0 0 92 -2,-0.3 -23,-2.0 -3,-0.1 -22,-0.4 0.356 127.8 68.4 -98.9 3.5 17.9 -3.1 3.5 73 73 A V E < -BC 48 70A 43 -3,-1.7 -3,-3.2 -25,-0.3 2,-0.3 -0.847 62.3-146.7-126.2 162.3 15.1 -1.5 5.5 74 74 A S E -BC 47 69A 0 -27,-3.5 -27,-2.2 -2,-0.3 2,-0.4 -0.844 10.5-153.8-122.3 157.7 11.5 -0.5 5.2 75 75 A N E -BC 46 68A 19 -7,-2.8 -7,-2.3 -2,-0.3 2,-0.4 -0.982 11.6-146.7-138.6 128.2 9.5 2.4 6.7 76 76 A Y E -BC 45 67A 0 -31,-2.4 -31,-2.1 -2,-0.4 2,-0.4 -0.766 30.3-168.1 -77.1 136.0 5.9 3.0 7.5 77 77 A I E +BC 44 66A 27 -11,-2.6 -11,-2.3 -2,-0.4 2,-0.4 -0.989 21.0 178.3-137.4 130.5 5.1 6.6 7.0 78 78 A L E +B 43 0A 3 -35,-2.2 -35,-2.7 -2,-0.4 -2,-0.0 -0.959 21.0 144.9-133.4 118.8 2.2 8.8 7.9 79 79 A S + 0 0 46 -2,-0.4 -38,-0.3 -37,-0.2 2,-0.3 0.447 29.8 119.5-129.0 -11.2 2.3 12.5 7.0 80 80 A E > - 0 0 120 1,-0.1 4,-2.0 4,-0.0 5,-0.2 -0.494 61.1-138.4 -68.9 123.2 -1.3 13.4 6.1 81 81 A I H > S+ 0 0 64 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.895 90.1 46.0 -61.9 -49.7 -2.2 16.1 8.6 82 82 A K H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.959 118.5 38.4 -68.2 -51.4 -5.7 15.2 9.6 83 83 A P H > S+ 0 0 20 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.822 114.4 56.9 -62.7 -29.5 -5.3 11.5 10.2 84 84 A L H X S+ 0 0 1 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.930 107.9 47.4 -67.2 -42.5 -1.9 12.1 11.8 85 85 A H H X S+ 0 0 44 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.934 112.9 49.3 -62.5 -44.4 -3.4 14.4 14.3 86 86 A N H X S+ 0 0 17 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.905 114.5 44.8 -60.5 -46.0 -6.2 11.9 15.0 87 87 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.926 114.0 46.7 -63.8 -51.3 -3.7 9.0 15.5 88 88 A L H X S+ 0 0 1 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.890 107.0 60.7 -64.0 -34.1 -1.2 10.9 17.6 89 89 A T H < S+ 0 0 59 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.930 112.9 36.3 -51.5 -50.2 -4.0 12.2 19.8 90 90 A Q H < S+ 0 0 37 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.777 120.3 47.4 -76.8 -31.3 -5.0 8.6 20.7 91 91 A L H >X S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.2 4,-0.6 0.872 94.7 76.2 -76.3 -38.4 -1.4 7.2 20.8 92 92 A Q G >< S+ 0 0 41 -4,-3.0 3,-1.0 1,-0.3 -1,-0.2 0.765 82.8 62.9 -46.5 -44.3 0.1 10.0 23.0 93 93 A P G 34 S+ 0 0 71 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.799 109.5 42.8 -55.2 -26.0 -1.4 9.0 26.4 94 94 A F G <4 S+ 0 0 54 -3,-2.1 -2,-0.2 -4,-0.2 2,-0.2 0.545 88.8 104.0-102.8 -8.5 0.6 5.7 26.2 95 95 A L << + 0 0 4 -3,-1.0 -80,-0.1 -4,-0.6 -81,-0.1 -0.487 38.2 176.1 -69.1 143.5 4.0 7.0 24.9 96 96 A K S S+ 0 0 81 -82,-0.2 -1,-0.1 -2,-0.2 4,-0.1 0.703 79.4 25.9-118.5 -41.3 6.8 7.3 27.5 97 97 A L S S+ 0 0 25 1,-0.1 4,-0.2 2,-0.1 3,-0.2 0.747 131.5 35.5 -92.5 -28.6 9.9 8.3 25.5 98 98 A K S > S+ 0 0 33 1,-0.1 4,-2.1 -84,-0.1 5,-0.2 0.193 81.8 108.2-115.9 17.9 8.2 10.2 22.6 99 99 A Q H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.901 79.1 50.5 -60.7 -43.9 5.3 11.7 24.3 100 100 A K H > S+ 0 0 103 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 110.2 48.5 -64.1 -42.6 6.6 15.3 24.2 101 101 A Q H > S+ 0 0 9 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.931 110.2 52.9 -63.0 -41.8 7.4 15.1 20.4 102 102 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.944 111.3 46.6 -60.0 -43.4 3.9 13.7 19.8 103 103 A N H X S+ 0 0 60 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.857 110.3 51.8 -70.1 -34.9 2.3 16.6 21.7 104 104 A L H X S+ 0 0 12 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.887 107.9 53.5 -62.4 -42.0 4.4 19.2 20.0 105 105 A V H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.926 109.0 48.9 -59.1 -43.1 3.3 17.7 16.6 106 106 A L H X S+ 0 0 14 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.903 110.7 49.8 -62.2 -40.2 -0.3 18.1 17.7 107 107 A K H X S+ 0 0 90 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.908 111.2 50.0 -66.0 -42.7 0.3 21.8 18.8 108 108 A I H >X S+ 0 0 0 -4,-2.7 4,-0.8 2,-0.2 3,-0.8 0.953 109.0 50.6 -59.1 -50.8 2.0 22.5 15.4 109 109 A I H >< S+ 0 0 15 -4,-2.7 3,-1.0 1,-0.3 -2,-0.2 0.901 108.2 54.1 -55.5 -41.8 -0.9 20.9 13.4 110 110 A E H 3< S+ 0 0 111 -4,-2.2 -1,-0.3 1,-0.2 4,-0.2 0.788 111.9 44.6 -66.2 -26.8 -3.4 23.0 15.4 111 111 A Q H 4 S+ 0 0 94 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.927 115.4 37.0 -43.9 -52.3 -4.0 27.6 9.6 114 114 A S H >> S+ 0 0 35 -3,-0.3 3,-0.8 -4,-0.2 4,-0.6 0.528 102.3 72.1 -88.3 -4.7 -2.7 30.7 11.3 115 115 A A H << S+ 0 0 0 -4,-1.3 3,-0.3 -3,-0.8 7,-0.3 0.767 93.3 58.7 -68.3 -29.9 1.0 30.1 10.6 116 116 A K T << S+ 0 0 95 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.444 101.6 60.3 -74.8 5.2 0.2 31.0 7.0 117 117 A E T <4 S+ 0 0 149 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.2 0.741 106.6 25.7-112.3 -29.7 -1.0 34.4 8.3 118 118 A S X - 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E 0 227B 14 27,-2.4 27,-3.3 -2,-0.3 -2,-0.0 -0.958 46.4 -94.6-153.0 142.0 19.1 2.4 25.2 201 48 B K E > - E 0 226B 74 -2,-0.3 3,-2.6 25,-0.3 25,-0.3 -0.268 46.2-114.1 -45.3 136.1 21.5 5.3 24.7 202 49 B T G > S+ 0 0 35 23,-2.1 3,-2.3 1,-0.3 4,-0.3 0.797 112.6 72.8 -57.7 -26.5 22.9 6.2 28.2 203 50 B Q G 3 S+ 0 0 124 22,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.821 104.5 40.2 -51.1 -33.7 21.1 9.6 28.1 204 51 B R G X> S+ 0 0 41 -3,-2.6 3,-1.9 1,-0.2 4,-0.7 0.059 75.7 121.5-110.1 25.9 17.8 7.6 28.6 205 52 B R H X> + 0 0 76 -3,-2.3 4,-2.8 1,-0.3 3,-0.6 0.811 63.9 73.0 -54.7 -26.6 19.3 5.1 31.1 206 53 B W H 3> S+ 0 0 119 -3,-0.3 4,-2.2 1,-0.3 -1,-0.3 0.826 91.0 56.0 -62.0 -29.3 16.6 6.4 33.5 207 54 B F H <> S+ 0 0 6 -3,-1.9 4,-1.4 2,-0.2 -1,-0.3 0.862 109.5 46.0 -72.4 -36.5 14.1 4.5 31.5 208 55 B L H S+ 0 0 3 -4,-1.4 4,-4.0 1,-0.2 5,-0.5 0.895 102.3 55.7 -54.7 -46.5 12.5 -1.1 34.2 212 59 B V H X5S+ 0 0 41 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.925 112.1 43.0 -53.1 -45.4 14.6 -2.6 37.0 213 60 B D H <5S+ 0 0 131 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.917 117.6 45.1 -70.3 -41.9 12.0 -1.2 39.5 214 61 B E H <5S+ 0 0 62 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.913 118.5 41.5 -71.8 -43.9 9.0 -2.3 37.4 215 62 B I H <5S- 0 0 1 -4,-4.0 -2,-0.2 -5,-0.2 -1,-0.2 0.886 98.3-144.6 -68.9 -35.0 10.3 -5.7 36.6 216 63 B G S < - 0 0 119 1,-0.1 4,-2.0 4,-0.1 5,-0.2 -0.257 63.7-135.4 -56.9 127.6 18.6 -15.3 36.4 234 81 B I H > S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.859 92.6 44.6 -58.2 -52.8 16.8 -18.4 35.3 235 82 B K H > S+ 0 0 145 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.951 117.3 42.6 -65.4 -49.7 13.7 -18.5 37.5 236 83 B P H > S+ 0 0 16 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.828 113.8 55.3 -59.4 -32.1 12.7 -14.8 37.3 237 84 B L H X S+ 0 0 1 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.943 107.5 48.3 -67.1 -45.3 13.5 -14.9 33.6 238 85 B H H X S+ 0 0 50 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.933 113.7 47.0 -58.4 -46.6 11.1 -17.8 33.1 239 86 B N H X S+ 0 0 21 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.909 114.3 47.2 -63.4 -42.7 8.4 -16.0 35.1 240 87 B F H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 3,-0.3 0.965 114.2 44.3 -65.1 -52.8 8.9 -12.7 33.3 241 88 B L H X S+ 0 0 1 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.840 107.1 61.5 -65.5 -31.4 8.9 -14.2 29.7 242 89 B T H < S+ 0 0 59 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.938 112.5 37.4 -56.7 -46.1 5.9 -16.4 30.5 243 90 B Q H < S+ 0 0 26 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.807 120.4 46.3 -76.4 -33.1 3.8 -13.3 31.2 244 91 B L H >< S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.2 4,-0.5 0.887 94.3 75.9 -74.2 -42.1 5.4 -11.2 28.4 245 92 B Q G >< S+ 0 0 39 -4,-2.9 3,-1.1 1,-0.3 -1,-0.2 0.734 83.7 62.5 -47.0 -42.7 5.2 -13.7 25.6 246 93 B P G 3 S+ 0 0 70 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.766 109.3 43.7 -59.5 -22.1 1.4 -13.5 24.8 247 94 B F G < S+ 0 0 42 -3,-2.2 -2,-0.2 -4,-0.2 2,-0.2 0.503 89.9 102.2-101.4 -8.0 1.9 -9.9 23.8 248 95 B L < + 0 0 4 -3,-1.1 -80,-0.1 -4,-0.5 -81,-0.1 -0.548 38.6 173.9 -76.8 143.6 5.1 -10.2 21.8 249 96 B K S S+ 0 0 80 -82,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.567 79.2 29.0-118.3 -32.8 4.6 -10.1 17.9 250 97 B L S S+ 0 0 28 2,-0.1 3,-0.2 1,-0.0 4,-0.2 0.758 131.5 30.7 -99.7 -32.1 8.2 -10.1 16.6 251 98 B K S > S+ 0 0 35 -84,-0.2 4,-2.5 1,-0.1 5,-0.2 0.177 83.6 109.6-116.4 17.2 10.1 -12.0 19.4 252 99 B Q H > S+ 0 0 69 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.908 79.4 50.0 -59.8 -40.9 7.4 -14.3 20.6 253 100 B K H > S+ 0 0 139 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.924 109.9 49.7 -68.2 -40.8 9.1 -17.4 19.1 254 101 B Q H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.940 111.1 51.0 -61.9 -44.8 12.4 -16.6 20.7 255 102 B A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.923 111.5 46.6 -58.0 -46.0 10.7 -16.1 24.1 256 103 B N H X S+ 0 0 63 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.904 110.3 52.8 -68.9 -35.5 8.9 -19.4 23.8 257 104 B L H X S+ 0 0 22 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.914 108.2 52.2 -62.3 -42.0 12.1 -21.2 22.8 258 105 B V H X S+ 0 0 3 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.957 109.5 48.4 -57.4 -49.1 13.8 -19.7 25.9 259 106 B L H X S+ 0 0 14 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.930 111.6 49.8 -54.3 -47.0 11.0 -21.0 28.1 260 107 B K H X S+ 0 0 96 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.913 111.4 49.2 -62.2 -41.4 11.3 -24.5 26.6 261 108 B I H X S+ 0 0 0 -4,-2.5 4,-0.6 2,-0.2 3,-0.3 0.937 109.8 50.8 -63.6 -46.6 15.0 -24.5 27.1 262 109 B I H >< S+ 0 0 18 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.937 108.2 52.7 -56.5 -48.4 14.7 -23.4 30.7 263 110 B E H 3< S+ 0 0 107 -4,-2.5 4,-0.3 1,-0.3 -1,-0.2 0.826 111.8 47.0 -57.2 -32.1 12.2 -26.2 31.4 264 111 B Q H 3X S+ 0 0 63 -4,-1.5 4,-1.9 -3,-0.3 -1,-0.3 0.459 82.3 99.1 -90.5 2.5 14.6 -28.7 29.9 265 112 B L H 4 S+ 0 0 92 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.961 115.0 41.6 -52.7 -52.2 17.6 -30.3 34.5 267 114 B S H >4 S+ 0 0 45 -4,-0.3 3,-1.0 1,-0.2 4,-0.4 0.756 106.6 65.1 -68.2 -23.9 17.4 -33.1 32.0 268 115 B A H >< S+ 0 0 0 -4,-1.9 3,-0.5 1,-0.2 7,-0.3 0.774 96.2 56.2 -67.6 -29.8 20.0 -31.4 29.7 269 116 B K T << S+ 0 0 95 -4,-1.2 -1,-0.2 -3,-0.9 -2,-0.2 0.524 103.6 56.8 -80.3 -4.1 22.7 -31.9 32.3 270 117 B E T < S+ 0 0 155 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.499 110.2 29.4-105.6 -7.5 22.2 -35.6 32.5 271 118 B S <> - 0 0 39 -3,-0.5 4,-2.3 -4,-0.4 -1,-0.2 -0.976 60.1-143.3-158.5 131.5 22.7 -36.8 28.9 272 119 B P H > S+ 0 0 55 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.789 105.0 56.3 -71.6 -27.0 24.8 -35.4 26.0 273 120 B D H > S+ 0 0 128 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.917 110.9 44.1 -68.5 -40.7 22.0 -36.3 23.5 274 121 B K H > S+ 0 0 38 2,-0.2 4,-2.4 -7,-0.2 5,-0.2 0.900 112.0 52.4 -68.2 -42.7 19.6 -34.2 25.4 275 122 B F H X S+ 0 0 3 -4,-2.3 4,-2.3 -7,-0.3 -2,-0.2 0.935 109.9 49.9 -59.0 -45.1 22.2 -31.4 25.9 276 123 B L H X S+ 0 0 32 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.901 108.1 52.4 -56.4 -44.9 22.7 -31.4 22.1 277 124 B E H >X S+ 0 0 91 -4,-1.7 4,-1.2 1,-0.3 3,-0.6 0.943 109.3 49.6 -63.3 -44.0 19.0 -31.2 21.4 278 125 B V H >X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.3 3,-0.5 0.892 105.4 57.6 -63.0 -38.3 18.7 -28.2 23.6 279 126 B C H 3X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 19,-0.3 0.831 100.3 59.4 -56.5 -33.0 21.7 -26.6 21.8 280 127 B T H S+ 0 0 11 -4,-2.3 5,-0.8 1,-0.2 -2,-0.2 0.893 108.4 53.5 -56.4 -42.9 19.8 -17.3 16.8 287 134 B A H <5S+ 0 0 84 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.895 109.4 48.8 -62.2 -38.2 18.2 -18.0 13.4 288 135 B L H <5S+ 0 0 57 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.883 105.3 68.8 -67.1 -41.0 15.2 -15.9 14.5 289 136 B N T <5S- 0 0 30 -4,-2.5 2,-1.7 -5,-0.1 -114,-0.0 -0.222 104.4-101.4 -62.7 166.5 17.4 -13.0 15.7 290 137 B D T 5 - 0 0 56 2,-0.0 2,-0.2 0, 0.0 -3,-0.1 -0.551 56.8-173.4 -86.5 69.4 19.3 -10.9 13.2 291 138 B S < + 0 0 60 -2,-1.7 -5,-0.0 -5,-0.8 0, 0.0 -0.478 24.5 151.7 -71.7 136.5 22.4 -12.9 14.2 292 139 B K + 0 0 171 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.0 0.434 68.3 39.1-139.8 -12.0 25.7 -11.6 12.7 293 140 B T S S+ 0 0 138 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 0.157 73.6 141.2-131.9 25.1 28.7 -12.5 15.1 294 141 B R + 0 0 84 1,-0.2 3,-0.1 -8,-0.1 -115,-0.0 -0.406 14.5 164.0 -74.8 141.4 27.8 -16.0 16.4 295 142 B K + 0 0 179 1,-0.2 2,-0.6 -115,-0.1 -1,-0.2 0.675 56.0 61.8-117.2 -56.4 30.6 -18.5 16.8 296 143 B T + 0 0 22 -116,-0.2 -116,-0.5 4,-0.1 2,-0.2 -0.712 62.7 163.7 -91.0 123.0 29.6 -21.4 19.0 297 144 B T > - 0 0 38 -2,-0.6 4,-1.7 -3,-0.1 3,-0.3 -0.696 55.6 -91.2-126.2 176.5 26.7 -23.5 17.6 298 145 B S H > S+ 0 0 5 -19,-0.3 4,-2.8 1,-0.2 -18,-0.1 0.769 126.3 58.0 -62.5 -24.8 25.2 -26.9 18.3 299 146 B E H > S+ 0 0 107 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.867 100.4 55.6 -75.9 -33.4 27.5 -28.3 15.6 300 147 B T H >4 S+ 0 0 63 -3,-0.3 3,-1.2 1,-0.2 -2,-0.2 0.949 111.3 45.7 -53.3 -49.0 30.5 -27.0 17.6 301 148 B V H 3< S+ 0 0 0 -4,-1.7 4,-0.3 1,-0.2 -2,-0.2 0.926 90.1 82.1 -61.0 -48.4 29.1 -29.0 20.5 302 149 B R H >< S+ 0 0 120 -4,-2.8 3,-1.1 1,-0.3 2,-0.5 0.669 70.7 85.3 -38.2 -20.8 28.5 -32.1 18.3 303 150 B A T << + 0 0 63 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.1 -0.262 52.5 96.6 -75.1 46.1 32.2 -32.7 18.9 304 151 B V T 3 + 0 0 41 -2,-0.5 2,-2.6 2,-0.1 -1,-0.3 0.049 54.4 110.4 -83.2 -5.1 31.1 -34.4 22.1 305 152 B L < 0 0 118 -3,-1.1 -2,-0.1 -4,-0.3 -3,-0.1 -0.237 360.0 360.0 -68.0 49.2 31.7 -36.9 19.3 306 153 B D 0 0 198 -2,-2.6 -2,-0.1 0, 0.0 -3,-0.0 -0.592 360.0 360.0-137.5 360.0 34.6 -37.9 21.5