==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 01-DEC-11 4AAE . COMPND 2 MOLECULE: DNA ENDONUCLEASE I-CREI; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLAMYDOMONAS REINHARDTII; . AUTHOR R.MOLINA,P.REDONDO,S.STELLA,M.MARENCHINO,M.D'ABRAMO,F.L.GERV . 305 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16084.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 70.8 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 14.4 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 . 1 0.3 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 . 15 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 41.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 1 1 0 0 1 0 1 3 1 0 2 0 0 3 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 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 2 A N 0 0 183 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 86.4 -1.9 -27.9 4.7 2 3 A T - 0 0 93 59,-0.1 2,-0.5 1,-0.1 0, 0.0 -0.349 360.0-149.6 -57.4 121.3 -0.7 -24.3 5.1 3 4 A K - 0 0 184 -2,-0.2 2,-0.3 86,-0.0 -1,-0.1 -0.834 19.2-129.8 -91.9 128.3 2.0 -23.9 7.8 4 5 A Y - 0 0 22 -2,-0.5 2,-0.1 1,-0.1 5,-0.1 -0.560 20.4-103.1 -85.2 141.0 1.9 -20.5 9.5 5 6 A N >> - 0 0 98 -2,-0.3 4,-1.7 1,-0.1 3,-0.6 -0.397 34.1-128.9 -51.5 125.6 4.8 -18.2 10.1 6 7 A K H 3> S+ 0 0 101 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.802 106.2 55.9 -57.2 -35.3 5.6 -18.6 13.8 7 8 A E H 3> S+ 0 0 96 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.904 107.5 49.4 -62.8 -41.6 5.6 -14.9 14.4 8 9 A F H <> S+ 0 0 23 -3,-0.6 4,-2.3 1,-0.2 -2,-0.2 0.852 108.8 54.5 -65.7 -33.9 2.1 -14.7 13.0 9 10 A L H X S+ 0 0 9 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.893 106.7 49.4 -66.2 -41.1 1.1 -17.6 15.3 10 11 A L H X S+ 0 0 14 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.924 113.5 46.2 -65.8 -45.4 2.3 -15.9 18.4 11 12 A Y H X S+ 0 0 8 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.934 114.3 47.7 -57.0 -51.0 0.4 -12.7 17.6 12 13 A L H X S+ 0 0 3 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.851 108.0 55.9 -63.1 -38.8 -2.7 -14.7 16.7 13 14 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.939 109.7 45.8 -57.4 -48.5 -2.5 -16.7 19.9 14 15 A G H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.909 115.0 47.2 -61.4 -41.8 -2.4 -13.5 21.9 15 16 A F H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.889 112.9 48.5 -68.2 -40.1 -5.3 -12.1 19.9 16 17 A V H X S+ 0 0 0 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.824 109.7 53.0 -70.0 -32.0 -7.3 -15.3 20.2 17 18 A D H < S+ 0 0 2 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.806 116.5 39.5 -72.0 -29.3 -6.6 -15.4 24.0 18 19 A G H < S+ 0 0 10 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.2 0.936 140.9 0.2 -86.3 -51.6 -8.0 -11.9 24.3 19 20 A D H < S+ 0 0 76 -4,-2.8 26,-0.5 -5,-0.1 2,-0.3 0.019 97.1 119.6-132.9 28.1 -10.9 -11.8 22.0 20 21 A G E < -A 44 0A 6 -4,-1.4 2,-0.4 -5,-0.2 24,-0.2 -0.660 43.4-156.0 -93.4 151.4 -11.1 -15.2 20.4 21 22 A S E -A 43 0A 47 22,-1.7 22,-2.1 -2,-0.3 2,-0.6 -0.992 7.8-167.7-130.9 129.2 -14.1 -17.5 20.7 22 23 A I E -A 42 0A 3 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.962 19.2-173.6-117.6 113.5 -14.1 -21.3 20.4 23 24 A I E -A 41 0A 39 18,-3.1 18,-2.5 -2,-0.6 2,-0.4 -0.903 15.7-174.9-119.8 131.2 -17.6 -22.7 20.1 24 25 A A E -A 40 0A 8 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.994 15.4-179.2-122.4 129.3 -19.0 -26.2 20.1 25 26 A Q E -A 39 0A 83 14,-3.0 14,-2.6 -2,-0.4 2,-0.5 -0.935 28.8-149.9-128.4 152.6 -22.6 -26.9 19.5 26 27 A I E -A 38 0A 7 -2,-0.3 12,-0.2 116,-0.3 116,-0.2 -0.986 30.0-158.7-112.4 113.5 -25.1 -29.8 19.3 27 28 A K E -A 37 0A 72 10,-2.9 10,-2.2 -2,-0.5 2,-0.3 -0.851 17.8-125.0-106.2 120.5 -27.7 -28.6 16.9 28 29 A P E +A 36 0A 89 0, 0.0 2,-0.3 0, 0.0 8,-0.3 -0.466 46.8 156.9 -56.6 119.3 -31.2 -30.1 16.8 29 30 A N > - 0 0 60 6,-2.8 3,-1.8 -2,-0.3 6,-0.1 -0.796 37.0-155.0-155.8 110.6 -31.6 -31.2 13.2 30 31 A Q T 3 S+ 0 0 149 -2,-0.3 5,-0.1 1,-0.3 6,-0.1 0.609 87.9 71.0 -63.6 -14.0 -34.0 -33.9 12.0 31 32 A S T 3 S+ 0 0 97 4,-0.1 -1,-0.3 3,-0.1 2,-0.2 0.606 83.8 86.0 -79.2 -10.9 -32.0 -34.7 8.8 32 33 A Y S X S- 0 0 88 -3,-1.8 3,-1.0 1,-0.1 5,-0.1 -0.556 85.5-120.0 -91.8 158.0 -29.2 -36.3 10.8 33 34 A K T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.910 117.6 35.5 -61.2 -46.2 -29.0 -39.9 11.9 34 35 A F T 3 S- 0 0 24 2,-0.3 -1,-0.3 -5,-0.0 -4,-0.1 0.197 117.2-113.0 -94.0 15.3 -28.8 -39.1 15.6 35 36 A K S < S+ 0 0 78 -3,-1.0 -6,-2.8 -5,-0.1 2,-0.3 0.493 89.1 76.2 69.5 6.4 -31.1 -36.0 15.0 36 37 A H E -A 28 0A 10 -8,-0.3 2,-0.4 -6,-0.1 -2,-0.3 -0.986 68.9-135.2-143.1 155.2 -28.4 -33.5 15.8 37 38 A Q E -A 27 0A 61 -10,-2.2 -10,-2.9 -2,-0.3 2,-0.6 -0.914 17.5-133.6-108.6 133.6 -25.4 -32.0 14.0 38 39 A L E -A 26 0A 18 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.2 -0.805 32.6-173.4 -84.1 123.6 -22.1 -31.5 15.7 39 40 A S E -A 25 0A 12 -14,-2.6 -14,-3.0 -2,-0.6 2,-0.4 -0.965 13.3-169.5-127.4 133.6 -20.9 -28.0 14.9 40 41 A L E +A 24 0A 5 -2,-0.4 2,-0.4 38,-0.2 -16,-0.2 -0.969 9.3 178.2-124.3 140.0 -17.6 -26.2 15.6 41 42 A T E -A 23 0A 17 -18,-2.5 -18,-3.1 -2,-0.4 2,-0.4 -1.000 20.0-161.7-142.1 136.2 -16.8 -22.5 15.2 42 43 A F E +AB 22 77A 4 35,-1.7 35,-2.0 -2,-0.4 2,-0.3 -0.963 30.2 176.2-110.9 141.9 -13.9 -20.2 15.7 43 44 A Q E -AB 21 76A 36 -22,-2.1 -22,-1.7 -2,-0.4 2,-0.3 -0.999 24.3-175.8-152.7 138.3 -15.0 -16.6 15.9 44 45 A V E -AB 20 75A 2 31,-1.6 31,-2.9 -2,-0.3 2,-0.3 -0.993 17.1-149.8-134.9 146.1 -13.8 -13.0 16.4 45 46 A T E + B 0 74A 46 -26,-0.5 2,-0.3 -2,-0.3 29,-0.2 -0.800 15.4 174.2-116.7 155.0 -15.9 -9.9 16.5 46 47 A Q E - B 0 73A 25 27,-1.6 27,-2.9 -2,-0.3 5,-0.1 -0.971 43.7 -94.6-157.3 138.8 -15.0 -6.4 15.6 47 48 A K E > - B 0 72A 71 -2,-0.3 3,-2.2 25,-0.2 25,-0.3 -0.364 45.9-111.8 -57.5 144.0 -17.2 -3.2 15.4 48 49 A T G > S+ 0 0 32 23,-3.0 3,-1.6 1,-0.3 4,-0.2 0.783 115.0 62.9 -61.1 -28.9 -18.4 -2.9 11.8 49 50 A Q G 3 S+ 0 0 133 22,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.802 108.4 44.6 -61.1 -27.0 -16.3 0.2 11.1 50 51 A R G X S+ 0 0 51 -3,-2.2 3,-2.0 1,-0.2 4,-0.5 0.157 74.2 114.4-105.3 22.3 -13.2 -1.8 11.8 51 52 A R T <> + 0 0 70 -3,-1.6 4,-2.3 1,-0.3 3,-0.5 0.678 58.0 83.2 -66.8 -15.9 -14.2 -4.9 9.7 52 53 A W H 3> S+ 0 0 116 -3,-0.3 4,-1.1 1,-0.2 -1,-0.3 0.719 88.5 55.3 -55.1 -22.8 -11.3 -4.0 7.5 53 54 A F H <> S+ 0 0 10 -3,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.832 104.9 49.8 -81.4 -35.9 -9.3 -6.0 10.1 54 55 A L H > S+ 0 0 0 -3,-0.5 4,-1.7 -4,-0.5 -2,-0.2 0.887 108.1 54.5 -67.2 -39.6 -11.4 -9.1 9.8 55 56 A D H X S+ 0 0 61 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.888 106.8 50.2 -64.1 -38.2 -11.1 -9.0 6.0 56 57 A K H X S+ 0 0 122 -4,-1.1 4,-3.0 1,-0.2 -1,-0.2 0.812 106.2 57.2 -69.2 -27.2 -7.3 -8.9 6.3 57 58 A L H X>S+ 0 0 5 -4,-1.2 4,-2.8 2,-0.2 5,-0.5 0.860 100.1 57.0 -66.8 -38.1 -7.6 -11.9 8.7 58 59 A V H X5S+ 0 0 34 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.889 113.1 42.0 -57.2 -39.9 -9.4 -13.8 5.9 59 60 A D H <5S+ 0 0 123 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.940 115.9 47.0 -71.7 -51.0 -6.3 -13.2 3.8 60 61 A E H <5S+ 0 0 80 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.951 121.9 34.6 -59.3 -53.8 -3.7 -13.9 6.5 61 62 A I H <5S- 0 0 5 -4,-2.8 -1,-0.2 2,-0.1 -3,-0.2 0.860 99.0-143.7 -70.4 -34.7 -5.2 -17.1 7.7 62 63 A G << + 0 0 60 -4,-1.3 2,-0.3 -5,-0.5 -3,-0.1 0.480 67.3 71.8 87.4 4.7 -6.3 -17.9 4.2 63 64 A V S S+ 0 0 23 -6,-0.3 -1,-0.2 -5,-0.1 -2,-0.1 -0.951 70.8 35.8-148.1 162.7 -9.6 -19.5 5.2 64 65 A G - 0 0 16 -2,-0.3 2,-0.2 -3,-0.1 13,-0.2 -0.277 64.6-117.3 83.4-173.4 -13.0 -18.6 6.6 65 66 A Y E -C 76 0A 134 11,-2.0 11,-2.6 -2,-0.1 2,-0.5 -0.862 17.6 -94.1-155.5-178.7 -15.1 -15.5 5.9 66 67 A V E -C 75 0A 24 -2,-0.2 2,-0.5 9,-0.2 9,-0.2 -0.942 25.0-163.3-121.0 123.8 -16.7 -12.4 7.3 67 68 A R E -C 74 0A 129 7,-3.1 7,-3.9 -2,-0.5 2,-0.5 -0.879 6.9-153.6-103.2 131.9 -20.3 -12.0 8.5 68 69 A D E +C 73 0A 78 -2,-0.5 5,-0.2 5,-0.3 3,-0.1 -0.892 18.2 170.6 -97.0 130.4 -21.9 -8.6 9.0 69 70 A R - 0 0 117 3,-2.5 2,-0.8 -2,-0.5 3,-0.3 -0.168 58.7 -83.7-132.4 45.3 -24.7 -8.6 11.7 70 71 A G S S+ 0 0 55 1,-0.2 -22,-0.1 -22,-0.0 -1,-0.0 -0.832 113.0 13.9 101.3-106.6 -25.5 -4.8 12.1 71 72 A S S S+ 0 0 87 -2,-0.8 -23,-3.0 -24,-0.1 -22,-0.3 0.739 130.3 41.7 -79.9 -25.3 -23.2 -3.0 14.5 72 73 A V E -B 47 0A 29 -25,-0.3 -3,-2.5 -3,-0.3 2,-0.3 -0.897 67.2-150.9-125.2 152.2 -20.6 -5.8 14.6 73 74 A S E -BC 46 68A 0 -27,-2.9 -27,-1.6 -2,-0.3 2,-0.4 -0.894 14.1-141.6-116.1 152.7 -19.0 -8.1 12.1 74 75 A N E -BC 45 67A 0 -7,-3.9 -7,-3.1 -2,-0.3 2,-0.5 -0.943 9.3-146.0-116.6 134.0 -17.7 -11.6 12.6 75 76 A Y E -BC 44 66A 0 -31,-2.9 -31,-1.6 -2,-0.4 2,-0.4 -0.828 34.0-168.6 -80.5 132.8 -14.7 -13.5 11.3 76 77 A I E +BC 43 65A 12 -11,-2.6 -11,-2.0 -2,-0.5 2,-0.4 -0.985 21.6 179.0-130.1 134.2 -16.0 -17.1 11.1 77 78 A L E +B 42 0A 1 -35,-2.0 -35,-1.7 -2,-0.4 -2,-0.0 -0.916 21.1 144.6-136.5 109.6 -14.2 -20.4 10.5 78 79 A S + 0 0 47 -2,-0.4 -38,-0.2 -37,-0.2 -1,-0.1 0.738 30.9 114.9-113.8 -40.0 -16.3 -23.6 10.5 79 80 A E > - 0 0 106 1,-0.1 4,-2.5 4,-0.1 5,-0.2 -0.137 60.4-144.4 -38.5 115.0 -14.7 -25.8 7.9 80 81 A I H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.826 92.0 49.8 -62.3 -37.0 -13.5 -28.8 10.0 81 82 A K H > S+ 0 0 185 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.990 116.2 40.1 -66.5 -57.5 -10.3 -29.5 8.0 82 83 A P H > S+ 0 0 33 0, 0.0 4,-2.2 0, 0.0 -2,-0.2 0.905 116.3 52.8 -55.7 -39.7 -9.0 -25.9 7.9 83 84 A L H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.903 109.0 48.5 -64.4 -42.7 -10.1 -25.5 11.5 84 85 A H H X S+ 0 0 54 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.908 113.0 47.3 -62.0 -43.0 -8.2 -28.5 12.6 85 86 A N H X S+ 0 0 22 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.839 114.6 49.1 -67.2 -32.2 -5.1 -27.4 10.8 86 87 A F H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 3,-0.5 0.965 113.4 41.4 -72.1 -58.1 -5.5 -24.0 12.4 87 88 A L H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.793 108.3 63.2 -62.2 -31.4 -6.0 -24.9 16.0 88 89 A T H < S+ 0 0 60 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.908 110.6 38.1 -58.3 -42.2 -3.3 -27.6 15.7 89 90 A Q H < S+ 0 0 32 -4,-1.0 4,-0.2 -3,-0.5 -2,-0.2 0.807 121.8 43.4 -80.0 -30.2 -0.7 -24.8 15.0 90 91 A L H >X S+ 0 0 0 -4,-1.7 3,-1.3 1,-0.1 4,-1.0 0.793 94.6 79.4 -87.3 -32.4 -2.2 -22.3 17.4 91 92 A Q G >< S+ 0 0 36 -4,-2.8 3,-1.3 1,-0.3 -1,-0.1 0.863 85.3 57.7 -44.4 -53.7 -2.8 -24.6 20.4 92 93 A P G 34 S+ 0 0 74 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.791 110.3 45.2 -56.8 -29.4 0.7 -24.8 21.7 93 94 A F G <4 S+ 0 0 49 -3,-1.3 -2,-0.2 -4,-0.2 2,-0.1 0.636 87.4 109.1 -88.5 -16.2 0.9 -21.0 22.2 94 95 A L << + 0 0 4 -3,-1.3 -80,-0.1 -4,-1.0 -81,-0.0 -0.381 35.6 174.8 -67.7 136.8 -2.6 -20.5 23.8 95 96 A K S S+ 0 0 90 -82,-0.2 -1,-0.1 -2,-0.1 4,-0.1 0.665 79.0 23.1-109.5 -27.4 -2.7 -19.5 27.5 96 97 A L S S+ 0 0 20 2,-0.1 4,-0.2 3,-0.0 3,-0.2 0.724 129.2 34.7-112.2 -33.4 -6.4 -18.9 28.1 97 98 A K S > S+ 0 0 26 1,-0.1 4,-2.1 2,-0.1 5,-0.1 0.118 82.0 109.1-115.2 22.1 -8.4 -20.8 25.5 98 99 A Q H > S+ 0 0 65 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.886 76.2 54.0 -67.7 -40.4 -6.0 -23.8 25.2 99 100 A K H > S+ 0 0 136 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.964 109.4 46.8 -57.5 -55.3 -8.5 -26.2 26.9 100 101 A Q H > S+ 0 0 5 1,-0.2 4,-2.3 -4,-0.2 -1,-0.2 0.924 112.5 52.7 -49.5 -45.8 -11.3 -25.3 24.5 101 102 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.899 108.4 48.9 -61.1 -42.1 -8.8 -25.8 21.7 102 103 A N H X S+ 0 0 72 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.907 110.6 50.9 -61.4 -45.0 -7.8 -29.2 22.9 103 104 A L H X S+ 0 0 13 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.882 110.0 50.4 -60.6 -40.0 -11.4 -30.3 23.2 104 105 A V H X S+ 0 0 2 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.934 110.5 48.1 -67.0 -45.3 -12.1 -29.2 19.7 105 106 A L H X S+ 0 0 21 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.944 113.7 48.4 -58.4 -46.6 -9.1 -31.1 18.3 106 107 A K H X S+ 0 0 98 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.923 111.7 49.1 -58.6 -47.4 -10.2 -34.2 20.2 107 108 A I H >< S+ 0 0 0 -4,-2.9 3,-0.7 1,-0.2 4,-0.4 0.904 110.4 51.9 -58.7 -41.6 -13.8 -33.8 19.0 108 109 A I H >< S+ 0 0 15 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.894 106.7 51.1 -66.2 -41.4 -12.6 -33.4 15.3 109 110 A E H 3< S+ 0 0 123 -4,-2.1 -1,-0.2 1,-0.2 4,-0.2 0.668 113.1 47.6 -69.8 -14.8 -10.4 -36.5 15.3 110 111 A Q T S+ 0 0 22 -3,-1.0 4,-1.2 -4,-0.4 -2,-0.1 0.926 80.1 55.7 -55.6 -50.0 -16.0 -37.4 14.3 112 113 A P H 4 S+ 0 0 83 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.914 115.5 36.6 -48.9 -51.8 -15.7 -40.4 11.9 113 114 A S H >> S+ 0 0 46 -4,-0.2 3,-1.1 1,-0.2 4,-1.1 0.718 108.8 64.3 -79.1 -21.6 -16.3 -42.9 14.7 114 115 A A H 3< S+ 0 0 0 -4,-2.0 7,-0.3 1,-0.2 -1,-0.2 0.760 96.2 59.7 -68.4 -24.9 -18.9 -40.8 16.5 115 116 A K T 3< S+ 0 0 124 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.1 0.296 104.9 49.8 -91.6 12.3 -21.2 -41.1 13.5 116 117 A E T <4 S+ 0 0 161 -3,-1.1 -2,-0.2 1,-0.3 -1,-0.2 0.686 109.5 40.8-117.4 -33.4 -21.3 -44.9 13.7 117 118 A S >X - 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E 0 226B 18 27,-2.3 27,-3.1 -2,-0.4 2,-0.2 -0.950 45.9 -95.9-139.3 154.8 -11.1 -10.4 32.7 200 48 B K E > - E 0 225B 86 -2,-0.3 3,-2.3 25,-0.2 25,-0.3 -0.539 42.7-115.9 -67.4 145.3 -14.0 -12.0 34.6 201 49 B T G > S+ 0 0 34 23,-2.2 3,-2.5 1,-0.3 4,-0.2 0.860 113.3 67.9 -56.4 -37.2 -12.9 -12.4 38.2 202 50 B Q G 3 S+ 0 0 132 22,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.734 105.8 45.2 -51.3 -21.7 -13.0 -16.2 38.0 203 51 B R G X> S+ 0 0 35 -3,-2.3 3,-1.4 1,-0.1 4,-0.6 0.028 72.7 122.6-115.5 25.8 -10.0 -15.8 35.7 204 52 B R H X> + 0 0 79 -3,-2.5 4,-2.8 1,-0.2 3,-0.7 0.794 58.2 79.3 -44.9 -40.6 -8.0 -13.3 37.7 205 53 B W H 3> S+ 0 0 136 1,-0.3 4,-3.1 -4,-0.2 -1,-0.2 0.818 89.3 56.0 -49.3 -33.0 -5.0 -15.6 37.7 206 54 B F H <> S+ 0 0 5 -3,-1.4 4,-2.0 2,-0.2 -1,-0.3 0.925 110.5 41.2 -66.5 -46.5 -4.3 -14.5 34.2 207 55 B L H - 0 0 121 1,-0.1 4,-2.2 2,-0.0 5,-0.2 -0.525 62.7-140.3 -67.6 123.8 2.7 4.7 36.1 233 81 B I H > S+ 0 0 73 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.899 91.1 43.5 -59.8 -52.9 4.1 6.9 33.4 234 82 B K H > S+ 0 0 169 2,-0.2 4,-2.7 1,-0.2 3,-0.4 0.966 115.7 46.6 -58.4 -57.9 7.7 5.6 33.0 235 83 B P H > S+ 0 0 35 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.895 114.6 50.3 -47.8 -44.9 6.9 1.8 33.1 236 84 B L H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.836 108.4 51.3 -65.5 -37.7 4.1 2.5 30.6 237 85 B H H X S+ 0 0 48 -4,-2.2 4,-2.8 -3,-0.4 5,-0.2 0.948 112.4 46.5 -61.6 -48.4 6.4 4.4 28.3 238 86 B N H X S+ 0 0 23 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.928 113.7 48.2 -62.8 -45.8 8.9 1.6 28.3 239 87 B F H X S+ 0 0 0 -4,-2.7 4,-1.0 -5,-0.2 -1,-0.2 0.926 116.2 41.1 -61.1 -48.7 6.2 -1.0 27.7 240 88 B L H X S+ 0 0 1 -4,-2.4 4,-2.9 1,-0.2 3,-0.3 0.883 108.3 60.2 -73.2 -36.8 4.5 0.8 24.8 241 89 B T H < S+ 0 0 63 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.902 112.5 40.1 -51.5 -43.4 7.7 1.8 23.2 242 90 B Q H < S+ 0 0 25 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.684 120.2 45.1 -78.9 -20.2 8.6 -1.8 22.9 243 91 B L H >X S+ 0 0 0 -4,-1.0 3,-1.2 -3,-0.3 4,-0.7 0.735 90.7 82.5 -97.0 -25.2 5.1 -2.9 21.9 244 92 B Q G >< S+ 0 0 44 -4,-2.9 3,-1.1 1,-0.3 -2,-0.1 0.828 83.8 58.7 -52.2 -45.0 4.3 -0.2 19.4 245 93 B P G 34 S+ 0 0 75 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.788 109.3 45.0 -57.9 -31.6 6.1 -1.9 16.4 246 94 B F G <4 S+ 0 0 51 -3,-1.2 -2,-0.2 -4,-0.2 2,-0.2 0.544 88.2 108.2 -92.9 -7.6 4.0 -5.1 16.7 247 95 B L << + 0 0 3 -3,-1.1 -80,-0.1 -4,-0.7 -81,-0.1 -0.478 33.4 170.1 -75.1 140.1 0.5 -3.3 17.1 248 96 B K S S+ 0 0 97 -82,-0.3 -1,-0.1 -2,-0.2 -81,-0.1 0.443 78.2 23.2-125.8 -7.2 -1.9 -3.5 14.2 249 97 B L S S+ 0 0 25 -196,-0.0 4,-0.1 2,-0.0 3,-0.1 0.601 131.1 33.2-131.3 -33.5 -5.2 -2.1 15.7 250 98 B K S > S+ 0 0 36 1,-0.1 4,-2.0 2,-0.1 5,-0.1 0.115 85.6 109.3-111.5 15.0 -4.2 0.0 18.7 251 99 B Q H > S+ 0 0 63 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.893 76.0 51.0 -62.7 -40.9 -1.0 1.2 17.2 252 100 B K H > S+ 0 0 137 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.904 109.6 49.9 -66.0 -41.2 -2.2 4.8 16.6 253 101 B Q H > S+ 0 0 7 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.924 110.9 51.9 -56.9 -44.9 -3.4 5.1 20.2 254 102 B A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.920 108.5 48.6 -63.2 -46.3 -0.0 3.8 21.4 255 103 B N H X S+ 0 0 48 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.943 111.5 50.4 -56.3 -52.2 2.0 6.4 19.3 256 104 B L H X S+ 0 0 14 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.929 110.7 49.5 -50.5 -51.6 -0.2 9.2 20.6 257 105 B V H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.909 108.7 52.6 -55.5 -45.2 0.4 8.1 24.2 258 106 B L H X S+ 0 0 20 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.865 110.7 48.6 -61.2 -34.6 4.1 7.8 23.6 259 107 B K H X S+ 0 0 108 -4,-2.1 4,-1.8 -3,-0.2 -2,-0.2 0.950 108.9 51.6 -69.6 -52.0 4.1 11.5 22.3 260 108 B I H >X S+ 0 0 0 -4,-2.7 3,-0.6 1,-0.2 4,-0.6 0.932 108.5 51.6 -46.9 -55.6 2.1 12.8 25.2 261 109 B I H >< S+ 0 0 18 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.912 108.8 51.3 -51.3 -46.0 4.4 11.2 27.8 262 110 B E H 3< S+ 0 0 114 -4,-1.5 -1,-0.2 1,-0.3 4,-0.2 0.822 112.4 45.5 -66.7 -29.3 7.5 12.8 26.1 263 111 B Q H S+ 0 0 39 -4,-0.2 4,-0.7 1,-0.2 7,-0.2 0.593 106.5 64.7 -88.5 -11.3 7.3 20.8 28.9 267 115 B A H << S+ 0 0 1 -4,-1.1 7,-0.3 -3,-0.6 -1,-0.2 0.727 95.8 58.3 -80.7 -21.6 3.5 20.8 29.2 268 116 B K T < S+ 0 0 141 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.713 103.3 55.1 -76.0 -20.6 3.8 21.7 32.9 269 117 B E T 4 S+ 0 0 153 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.759 113.0 28.7 -88.1 -28.0 5.7 24.9 32.0 270 118 B S >X - 0 0 44 -4,-0.7 4,-2.1 1,-0.1 3,-0.6 -0.964 60.6-142.5-145.2 127.8 3.3 26.6 29.6 271 119 B P H 3> S+ 0 0 56 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.720 102.1 59.8 -58.7 -21.0 -0.5 26.5 29.2 272 120 B D H 3> S+ 0 0 134 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.931 107.8 40.8 -74.3 -47.3 -0.0 26.6 25.4 273 121 B K H <> S+ 0 0 39 -3,-0.6 4,-2.7 -7,-0.2 -1,-0.2 0.839 115.0 55.8 -68.4 -32.5 1.9 23.4 25.1 274 122 B F H X S+ 0 0 13 -4,-2.1 4,-1.6 -7,-0.3 -2,-0.2 0.937 106.6 47.7 -62.9 -48.4 -0.5 21.9 27.7 275 123 B L H < S+ 0 0 42 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.853 112.3 52.3 -61.5 -33.3 -3.5 22.8 25.6 276 124 B E H >X S+ 0 0 86 -4,-1.6 3,-2.1 1,-0.2 4,-1.0 0.947 105.8 51.1 -67.4 -49.4 -1.7 21.2 22.7 277 125 B V H 3X S+ 0 0 0 -4,-2.7 4,-1.1 1,-0.3 3,-0.3 0.818 103.6 63.1 -58.3 -28.6 -1.0 18.0 24.5 278 126 B C H 3X S+ 0 0 0 -4,-1.6 4,-0.9 1,-0.2 -1,-0.3 0.648 96.7 56.5 -71.5 -16.7 -4.7 18.0 25.4 279 127 B T H <> S+ 0 0 52 -3,-2.1 4,-1.4 -4,-0.4 -1,-0.2 0.782 100.3 56.0 -85.2 -29.2 -5.6 17.7 21.7 280 128 B W H X S+ 0 0 38 -4,-1.0 4,-1.4 -3,-0.3 -2,-0.2 0.825 105.7 54.5 -66.6 -30.5 -3.5 14.5 21.3 281 129 B V H X S+ 0 0 0 -4,-1.1 4,-2.0 1,-0.2 -2,-0.2 0.882 103.0 55.0 -66.4 -39.9 -5.7 13.2 24.1 282 130 B D H X S+ 0 0 38 -4,-0.9 4,-1.2 1,-0.2 -2,-0.2 0.844 105.4 53.9 -58.5 -36.1 -8.8 14.1 22.0 283 131 B Q H X S+ 0 0 95 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.835 105.3 52.5 -73.0 -32.7 -7.4 12.0 19.2 284 132 B I H X S+ 0 0 0 -4,-1.4 4,-1.7 2,-0.2 3,-0.2 0.944 109.3 48.5 -65.2 -48.2 -7.0 8.9 21.5 285 133 B A H <>S+ 0 0 11 -4,-2.0 5,-0.8 1,-0.2 -2,-0.2 0.811 109.6 54.8 -61.5 -27.0 -10.6 9.2 22.6 286 134 B A H <5S+ 0 0 85 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.860 107.2 48.2 -76.7 -35.5 -11.6 9.5 18.9 287 135 B L H <5S+ 0 0 46 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.760 108.5 67.4 -71.3 -28.7 -9.8 6.2 18.0 288 136 B N T <5S- 0 0 42 -4,-1.7 2,-1.4 -5,-0.1 -114,-0.0 -0.310 105.3 -97.0 -79.3 173.7 -11.5 4.5 20.9 289 137 B D T 5 - 0 0 63 -2,-0.1 2,-0.2 2,-0.0 -3,-0.1 -0.546 56.7-173.3 -88.1 69.5 -15.2 3.7 21.1 290 138 B S < + 0 0 63 -2,-1.4 -5,-0.0 -5,-0.8 0, 0.0 -0.443 23.4 148.3 -78.9 136.2 -15.8 6.9 23.2 291 139 B K + 0 0 160 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.0 0.629 66.9 35.4-137.3 -32.2 -19.3 7.4 24.7 292 140 B T S S+ 0 0 132 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 0.069 74.3 145.7-125.6 23.4 -19.4 9.2 28.0 293 141 B R + 0 0 84 1,-0.1 3,-0.1 -8,-0.1 -115,-0.0 -0.366 13.2 164.6 -69.7 140.5 -16.5 11.7 27.7 294 142 B K + 0 0 186 1,-0.2 2,-0.9 -2,-0.1 -1,-0.1 0.688 55.6 64.4-121.8 -47.2 -16.9 15.1 29.4 295 143 B T + 0 0 25 -116,-0.1 -116,-0.4 4,-0.1 -1,-0.2 -0.758 61.2 161.5 -93.6 106.4 -13.6 16.9 29.6 296 144 B T > - 0 0 42 -2,-0.9 4,-1.3 -3,-0.1 3,-0.5 -0.434 57.7 -91.4-106.5-174.0 -12.1 17.7 26.2 297 145 B S H > S+ 0 0 14 -19,-0.2 4,-1.6 1,-0.2 -18,-0.1 0.745 124.6 62.6 -70.2 -21.1 -9.4 20.2 25.2 298 146 B E H > S+ 0 0 117 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.747 101.3 52.0 -75.7 -24.7 -12.1 22.8 24.6 299 147 B T H > S+ 0 0 49 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.897 111.0 46.2 -69.5 -47.6 -13.0 22.6 28.3 300 148 B V H X S+ 0 0 0 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.782 109.2 56.2 -67.5 -31.5 -9.3 23.2 29.2 301 149 B R H X S+ 0 0 87 -4,-1.6 4,-0.8 2,-0.2 -1,-0.2 0.924 110.1 44.6 -65.5 -44.2 -9.2 26.0 26.7 302 150 B A H < S+ 0 0 49 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.846 113.7 50.2 -69.3 -35.4 -12.1 27.8 28.5 303 151 B V H >< S+ 0 0 54 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.883 108.3 51.3 -71.5 -39.6 -10.7 27.1 31.9 304 152 B L H 3< S+ 0 0 43 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.677 91.4 76.8 -73.6 -15.9 -7.3 28.5 31.1 305 153 B D T 3< 0 0 121 -4,-0.8 -1,-0.3 -3,-0.1 -2,-0.2 0.586 360.0 360.0 -70.0 -5.8 -8.8 31.7 29.7 306 154 B S < 0 0 139 -3,-1.2 -3,-0.1 -4,-0.1 -2,-0.1 0.078 360.0 360.0-138.7 360.0 -9.3 32.7 33.4