==== 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 4AAG . 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.GERVAS . 304 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15647.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 72.7 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 . 15 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 42.1 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 0 0 0 2 0 0 1 3 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 2 A N 0 0 156 0, 0.0 2,-0.2 0, 0.0 80,-0.0 0.000 360.0 360.0 360.0 118.2 21.7 -7.7 -4.5 2 3 A T - 0 0 77 59,-0.1 2,-0.4 1,-0.1 0, 0.0 -0.449 360.0-130.9 -81.9 144.1 23.4 -11.1 -4.8 3 4 A K - 0 0 85 -2,-0.2 2,-0.3 86,-0.0 -1,-0.1 -0.791 23.0-142.5 -91.6 135.0 26.0 -12.1 -7.4 4 5 A Y - 0 0 24 -2,-0.4 2,-0.3 82,-0.1 57,-0.1 -0.698 24.0 -99.0 -99.8 149.0 25.5 -15.4 -9.2 5 6 A N >> - 0 0 111 -2,-0.3 4,-1.9 1,-0.1 3,-0.5 -0.490 28.6-134.7 -65.9 127.0 28.1 -17.9 -10.3 6 7 A K H 3> S+ 0 0 104 -2,-0.3 4,-2.6 1,-0.3 -1,-0.1 0.808 104.6 50.9 -53.3 -37.7 28.9 -17.4 -14.0 7 8 A E H 3> S+ 0 0 88 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.865 107.5 53.4 -71.4 -35.8 28.8 -21.2 -14.7 8 9 A F H <> S+ 0 0 33 -3,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.872 110.9 48.2 -62.4 -37.5 25.4 -21.4 -13.1 9 10 A L H X S+ 0 0 6 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.940 107.3 53.5 -69.0 -48.0 24.3 -18.6 -15.4 10 11 A L H X S+ 0 0 10 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.920 117.0 39.5 -51.9 -46.8 25.7 -20.2 -18.5 11 12 A Y H X S+ 0 0 22 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.971 115.7 48.6 -67.0 -56.9 23.7 -23.3 -17.8 12 13 A L H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.823 108.9 57.8 -54.1 -32.6 20.6 -21.7 -16.5 13 14 A A H X S+ 0 0 0 -4,-2.9 4,-3.3 2,-0.2 5,-0.3 0.972 107.5 43.4 -64.7 -55.3 20.6 -19.5 -19.6 14 15 A G H X S+ 0 0 0 -4,-1.7 4,-1.1 1,-0.2 -2,-0.2 0.891 116.2 50.0 -56.1 -39.8 20.5 -22.3 -22.0 15 16 A F H X S+ 0 0 0 -4,-2.4 4,-3.6 2,-0.2 5,-0.4 0.865 111.5 46.8 -70.5 -36.5 17.9 -24.0 -19.9 16 17 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.910 108.9 54.4 -68.4 -43.4 15.8 -20.9 -19.7 17 18 A D H < S+ 0 0 2 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.823 117.9 41.7 -54.7 -28.7 16.2 -20.5 -23.5 18 19 A G H < S+ 0 0 11 -4,-1.1 -2,-0.2 -5,-0.3 -3,-0.2 0.960 137.7 2.6 -85.9 -61.2 14.8 -24.0 -23.5 19 20 A D H < S+ 0 0 41 -4,-3.6 26,-1.9 -5,-0.1 -3,-0.2 0.315 107.3 103.2-112.2 7.0 12.0 -24.3 -21.0 20 21 A G E < -A 44 0A 9 -4,-2.3 2,-0.4 -5,-0.4 24,-0.2 -0.353 50.0-153.2 -94.8 168.5 11.8 -20.7 -19.8 21 22 A S E -A 43 0A 28 22,-2.7 22,-2.2 -2,-0.1 2,-0.6 -0.972 8.1-162.4-143.9 128.2 9.5 -17.8 -20.3 22 23 A I E -A 42 0A 3 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.949 31.3-177.9-105.5 115.9 10.0 -14.0 -20.1 23 24 A I E -A 41 0A 34 18,-2.6 18,-2.3 -2,-0.6 2,-0.4 -0.940 22.7-179.6-130.0 134.3 6.6 -12.5 -19.9 24 25 A A E -A 40 0A 7 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.979 15.8-178.9-127.6 144.2 5.0 -9.1 -19.7 25 26 A Q E -A 39 0A 68 14,-2.0 14,-2.4 -2,-0.4 2,-0.8 -0.993 33.2-141.2-145.9 149.8 1.3 -8.4 -19.4 26 27 A I E -A 38 0A 4 116,-0.5 12,-0.2 -2,-0.3 116,-0.1 -0.803 32.1-166.9-106.4 85.3 -1.2 -5.6 -19.3 27 28 A K E -A 37 0A 83 10,-1.5 10,-2.2 -2,-0.8 -2,-0.0 -0.652 21.0-123.7 -82.3 115.8 -3.7 -7.2 -16.8 28 29 A P E +A 36 0A 78 0, 0.0 8,-0.3 0, 0.0 2,-0.2 -0.307 42.3 161.3 -57.6 135.5 -7.0 -5.2 -16.7 29 30 A N > - 0 0 60 6,-3.0 3,-1.6 3,-0.1 5,-0.0 -0.792 36.3-151.3-165.2 116.4 -7.8 -4.0 -13.2 30 31 A Q T 3 S+ 0 0 137 1,-0.3 5,-0.2 -2,-0.2 6,-0.1 0.576 90.8 71.3 -69.3 -10.7 -10.2 -1.3 -12.0 31 32 A S T 3 S+ 0 0 100 4,-0.1 2,-0.3 3,-0.1 -1,-0.3 0.442 84.0 86.4 -87.1 1.6 -8.3 -0.5 -8.9 32 33 A Y S X S- 0 0 83 -3,-1.6 3,-2.1 1,-0.1 5,-0.1 -0.753 85.4-121.3-101.3 150.2 -5.5 1.1 -10.9 33 34 A K T 3 S+ 0 0 150 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.893 119.3 36.7 -51.5 -44.3 -5.4 4.8 -12.0 34 35 A F T 3 S- 0 0 16 2,-0.4 -1,-0.3 -5,-0.0 -5,-0.1 0.083 113.9-117.6-100.1 21.5 -5.1 3.6 -15.6 35 36 A K S < S+ 0 0 80 -3,-2.1 -6,-3.0 -5,-0.2 2,-0.3 0.549 88.7 83.4 58.6 7.4 -7.4 0.7 -15.0 36 37 A H E -A 28 0A 10 -8,-0.3 2,-0.4 -6,-0.1 -2,-0.4 -0.961 66.4-143.2-136.0 154.6 -4.5 -1.7 -15.9 37 38 A Q E -A 27 0A 58 -10,-2.2 -10,-1.5 -2,-0.3 2,-0.6 -0.948 15.4-134.0-114.5 140.7 -1.6 -3.2 -14.1 38 39 A L E -A 26 0A 22 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.2 -0.849 30.7-171.2 -90.7 121.4 1.9 -3.7 -15.6 39 40 A S E -A 25 0A 16 -14,-2.4 -14,-2.0 -2,-0.6 2,-0.4 -0.949 11.5-167.5-122.9 130.0 3.0 -7.2 -14.7 40 41 A L E +A 24 0A 9 -2,-0.4 2,-0.3 38,-0.3 -16,-0.2 -0.888 9.8 178.9-112.2 145.7 6.4 -8.9 -15.1 41 42 A T E -A 23 0A 18 -18,-2.3 -18,-2.6 -2,-0.4 2,-0.5 -0.969 19.2-166.3-149.1 131.1 7.1 -12.6 -14.7 42 43 A F E +AB 22 77A 2 35,-2.3 35,-2.2 -2,-0.3 2,-0.4 -0.978 28.3 171.7-108.3 126.6 10.1 -14.9 -15.1 43 44 A Q E -AB 21 76A 42 -22,-2.2 -22,-2.7 -2,-0.5 2,-0.4 -0.994 28.5-162.0-141.3 145.1 9.2 -18.5 -15.2 44 45 A V E -AB 20 75A 0 31,-0.9 31,-2.3 -2,-0.4 2,-0.4 -0.988 21.3-150.8-124.0 119.3 10.7 -22.0 -15.8 45 46 A T E + B 0 74A 40 -26,-1.9 2,-0.3 -2,-0.4 29,-0.2 -0.734 21.9 163.6 -97.3 133.3 8.2 -24.8 -16.6 46 47 A Q E - B 0 73A 13 27,-2.6 27,-2.8 -2,-0.4 5,-0.1 -0.986 44.3 -97.3-150.3 138.2 8.8 -28.4 -15.7 47 48 A K E > - B 0 72A 68 -2,-0.3 3,-2.1 25,-0.3 25,-0.3 -0.197 42.8-117.1 -44.3 137.8 6.8 -31.6 -15.4 48 49 A T G > S+ 0 0 33 23,-2.7 3,-1.9 1,-0.3 4,-0.2 0.769 110.7 71.0 -60.5 -27.0 6.0 -32.2 -11.7 49 50 A Q G 3 S+ 0 0 129 22,-0.4 -1,-0.3 1,-0.3 3,-0.3 0.834 107.1 38.9 -54.3 -32.0 8.0 -35.4 -11.6 50 51 A R G X S+ 0 0 48 -3,-2.1 3,-2.8 1,-0.2 4,-0.5 0.166 76.2 120.6-105.5 17.7 11.1 -33.2 -11.9 51 52 A R T <> + 0 0 88 -3,-1.9 4,-2.4 1,-0.3 3,-0.4 0.669 59.9 78.4 -61.4 -14.9 10.0 -30.3 -9.7 52 53 A W H 3> S+ 0 0 118 -3,-0.3 4,-1.5 1,-0.2 -1,-0.3 0.795 89.4 58.9 -58.7 -26.7 13.0 -31.0 -7.5 53 54 A F H <> S+ 0 0 8 -3,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.858 105.7 45.2 -72.7 -37.2 14.9 -29.2 -10.2 54 55 A L H > S+ 0 0 0 -4,-0.5 4,-1.9 -3,-0.4 -2,-0.2 0.900 108.3 56.3 -73.2 -41.2 12.8 -26.0 -9.8 55 56 A D H X S+ 0 0 54 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.886 104.4 55.7 -54.5 -39.2 13.1 -26.2 -6.0 56 57 A K H >X S+ 0 0 66 -4,-1.5 4,-2.8 1,-0.2 3,-0.9 0.939 103.3 54.3 -56.8 -48.7 16.8 -26.2 -6.6 57 58 A L H 3X S+ 0 0 6 -4,-1.4 4,-3.1 1,-0.3 5,-0.4 0.887 103.3 55.2 -53.2 -44.6 16.4 -22.9 -8.6 58 59 A V H 3X S+ 0 0 31 -4,-1.9 4,-0.9 1,-0.2 -1,-0.3 0.825 113.6 43.0 -58.5 -31.1 14.6 -21.3 -5.7 59 60 A D H << S+ 0 0 124 -4,-1.2 -2,-0.2 -3,-0.9 -1,-0.2 0.886 115.7 45.7 -82.8 -42.4 17.7 -22.2 -3.5 60 61 A E H < S+ 0 0 97 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.898 122.9 36.0 -66.8 -41.7 20.3 -21.2 -6.1 61 62 A I H < S- 0 0 3 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.704 96.5-144.0 -88.4 -22.7 18.7 -17.9 -6.9 62 63 A G < + 0 0 61 -4,-0.9 2,-0.3 -5,-0.4 -3,-0.2 0.655 69.9 70.7 72.3 17.1 17.5 -17.3 -3.4 63 64 A V S S+ 0 0 26 -6,-0.3 2,-0.3 -5,-0.2 -2,-0.1 -0.920 72.8 39.1-165.6 137.7 14.2 -15.7 -4.4 64 65 A G - 0 0 22 -2,-0.3 2,-0.3 13,-0.1 13,-0.2 -0.757 64.0-118.1 117.1-169.3 10.9 -16.9 -5.9 65 66 A Y E -C 76 0A 128 11,-1.3 11,-2.3 -2,-0.3 2,-0.3 -0.980 12.5-113.1-163.6 164.8 8.9 -20.0 -5.4 66 67 A V E -C 75 0A 22 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.816 23.6-165.1-105.8 148.2 7.6 -23.1 -7.2 67 68 A R E -C 74 0A 167 7,-1.8 7,-2.2 -2,-0.3 2,-0.5 -0.984 7.4-152.0-137.7 127.6 4.0 -23.9 -7.8 68 69 A D E +C 73 0A 76 -2,-0.4 5,-0.2 5,-0.2 3,-0.1 -0.836 16.9 172.3 -98.5 125.7 2.4 -27.2 -8.8 69 70 A R - 0 0 162 3,-2.4 2,-0.7 -2,-0.5 3,-0.1 -0.178 63.9 -77.6-123.9 40.1 -0.8 -27.2 -10.9 70 71 A G S S+ 0 0 51 1,-0.2 -22,-0.1 2,-0.0 3,-0.0 -0.867 115.6 17.0 112.8-103.7 -1.1 -30.8 -11.7 71 72 A S S S+ 0 0 90 -2,-0.7 -23,-2.7 -24,-0.1 -22,-0.4 0.765 127.7 35.9 -80.2 -27.3 1.1 -32.2 -14.4 72 73 A V E -B 47 0A 29 -25,-0.3 -3,-2.4 -24,-0.1 2,-0.3 -0.882 62.9-154.8-127.9 159.9 3.5 -29.3 -14.4 73 74 A S E -BC 46 68A 0 -27,-2.8 -27,-2.6 -2,-0.3 2,-0.4 -0.931 12.2-146.8-127.7 152.8 5.1 -26.9 -12.0 74 75 A N E -BC 45 67A 17 -7,-2.2 -7,-1.8 -2,-0.3 2,-0.4 -0.961 11.1-138.4-123.0 138.5 6.5 -23.4 -12.5 75 76 A Y E -BC 44 66A 0 -31,-2.3 -31,-0.9 -2,-0.4 2,-0.4 -0.783 32.9-158.8 -81.5 139.6 9.4 -21.5 -11.0 76 77 A I E +BC 43 65A 21 -11,-2.3 -11,-1.3 -2,-0.4 2,-0.5 -0.977 24.0 173.0-132.2 123.7 8.1 -18.0 -10.5 77 78 A L E +B 42 0A 0 -35,-2.2 -35,-2.3 -2,-0.4 -13,-0.1 -0.966 21.8 140.4-127.0 114.1 9.9 -14.7 -10.0 78 79 A S + 0 0 51 -2,-0.5 2,-0.4 -37,-0.2 -38,-0.3 0.566 29.0 116.4-127.2 -22.2 7.7 -11.6 -10.0 79 80 A E > - 0 0 127 1,-0.2 4,-2.0 2,-0.0 5,-0.2 -0.392 63.6-139.4 -55.4 111.2 9.3 -9.3 -7.3 80 81 A I H > S+ 0 0 82 -2,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.782 91.2 47.2 -44.2 -43.6 10.3 -6.3 -9.5 81 82 A K H >> S+ 0 0 157 2,-0.2 4,-2.1 1,-0.2 3,-0.9 0.983 113.4 40.6 -73.0 -59.7 13.7 -5.7 -7.7 82 83 A P H 3> S+ 0 0 27 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.840 112.3 61.2 -59.2 -28.6 15.3 -9.1 -7.5 83 84 A L H 3X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.854 104.5 47.5 -61.3 -37.9 14.0 -9.7 -11.0 84 85 A H H X S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.2 4,-0.7 0.781 92.8 80.4 -75.3 -29.7 21.6 -13.5 -16.9 91 92 A Q G >< S+ 0 0 44 -4,-3.0 3,-0.8 1,-0.3 -1,-0.2 0.796 81.2 62.8 -52.9 -40.9 20.9 -11.4 -20.0 92 93 A P G 34 S+ 0 0 65 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.784 106.3 46.2 -56.0 -28.5 24.4 -11.5 -21.5 93 94 A F G <4 S+ 0 0 49 -3,-1.6 -2,-0.2 -4,-0.2 -3,-0.1 0.636 86.4 104.0 -95.7 -14.7 24.2 -15.3 -21.9 94 95 A L << + 0 0 3 -3,-0.8 -80,-0.1 -4,-0.7 -81,-0.0 -0.377 38.0 174.8 -65.2 143.9 20.7 -15.7 -23.4 95 96 A K S S+ 0 0 77 -82,-0.2 -1,-0.1 -2,-0.1 4,-0.1 0.565 79.2 31.5-122.0 -22.7 20.6 -16.3 -27.2 96 97 A L S S+ 0 0 26 2,-0.1 4,-0.1 1,-0.0 -2,-0.1 0.651 131.7 27.8-108.8 -22.1 16.9 -16.9 -27.8 97 98 A K S > S+ 0 0 32 2,-0.1 4,-2.0 1,-0.1 5,-0.1 0.119 80.9 111.3-128.6 20.1 15.3 -14.6 -25.2 98 99 A Q H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.882 79.6 53.0 -64.6 -36.7 17.9 -11.9 -24.7 99 100 A K H > S+ 0 0 150 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.909 109.0 47.5 -66.2 -44.0 15.7 -9.2 -26.4 100 101 A Q H > S+ 0 0 7 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.892 110.3 55.7 -62.1 -38.8 12.7 -10.0 -24.1 101 102 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 3,-0.3 0.958 111.3 41.1 -58.0 -54.0 15.1 -9.8 -21.2 102 103 A N H X S+ 0 0 59 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.891 109.6 58.3 -63.8 -41.7 16.3 -6.4 -21.9 103 104 A L H X S+ 0 0 21 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.853 109.4 47.3 -53.8 -36.4 12.9 -5.1 -22.9 104 105 A V H X S+ 0 0 3 -4,-1.8 4,-2.9 -3,-0.3 -2,-0.2 0.939 109.1 51.7 -70.9 -48.9 11.8 -6.1 -19.4 105 106 A L H X S+ 0 0 15 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.917 113.6 45.9 -51.6 -46.1 14.9 -4.4 -17.8 106 107 A K H X S+ 0 0 81 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.939 111.6 51.2 -63.7 -47.5 13.9 -1.2 -19.7 107 108 A I H X S+ 0 0 1 -4,-2.2 4,-0.6 -5,-0.2 -2,-0.2 0.897 107.9 53.6 -56.4 -41.4 10.3 -1.6 -18.7 108 109 A I H >< S+ 0 0 15 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.890 106.7 50.2 -63.9 -40.9 11.1 -2.0 -15.0 109 110 A E H 3< S+ 0 0 111 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.833 113.4 46.2 -66.4 -33.2 13.2 1.2 -14.9 110 111 A Q H 3X S+ 0 0 61 -4,-1.6 4,-3.2 1,-0.2 -1,-0.2 0.503 88.2 94.0 -85.9 -5.0 10.4 3.2 -16.5 111 112 A L H > S+ 0 0 46 -4,-0.4 3,-1.2 1,-0.2 4,-0.8 0.857 104.4 61.8 -70.3 -37.4 7.9 7.1 -14.4 114 115 A A H 3< S+ 0 0 0 -4,-3.2 -1,-0.2 1,-0.3 7,-0.2 0.687 91.0 68.0 -66.3 -19.0 5.1 5.4 -16.4 115 116 A K T 3< S+ 0 0 132 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.1 0.155 99.0 52.5 -89.0 20.8 2.6 5.8 -13.6 116 117 A E T <4 S+ 0 0 140 -3,-1.2 -2,-0.2 1,-0.4 -1,-0.1 0.718 104.2 41.6-116.1 -68.9 2.6 9.6 -14.0 117 118 A S X - 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0 0 123 1,-0.1 4,-2.4 2,-0.1 5,-0.2 -0.242 62.1-140.0 -46.8 116.6 27.3 -40.9 -36.3 233 81 B I H > S+ 0 0 70 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.818 91.9 45.9 -56.4 -40.7 28.5 -43.3 -33.6 234 82 B K H > S+ 0 0 70 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.923 116.8 41.2 -75.6 -44.7 32.1 -42.0 -33.2 235 83 B P H > S+ 0 0 29 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.892 111.5 58.3 -65.3 -39.6 31.4 -38.2 -33.1 236 84 B L H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.864 107.8 47.7 -57.0 -37.4 28.3 -38.9 -30.9 237 85 B H H X S+ 0 0 51 -4,-1.2 4,-2.2 -5,-0.2 -1,-0.2 0.948 112.7 45.9 -70.9 -50.0 30.7 -40.6 -28.4 238 86 B N H X S+ 0 0 39 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.880 116.8 46.6 -59.4 -39.5 33.3 -37.8 -28.4 239 87 B F H >X S+ 0 0 0 -4,-3.0 4,-1.2 1,-0.2 3,-0.5 0.938 114.0 44.9 -70.7 -47.9 30.5 -35.1 -28.1 240 88 B L H 3X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.3 -2,-0.2 0.802 105.3 63.6 -68.7 -28.9 28.6 -36.8 -25.3 241 89 B T H 3< S+ 0 0 57 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.869 110.7 37.8 -61.1 -35.9 31.8 -37.6 -23.4 242 90 B Q H << S+ 0 0 36 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.661 118.5 47.9 -90.4 -18.7 32.4 -33.9 -23.0 243 91 B L H >X S+ 0 0 0 -4,-1.2 4,-1.2 1,-0.1 3,-0.9 0.611 92.6 79.6 -96.2 -15.2 28.8 -32.8 -22.5 244 92 B Q T 3< S+ 0 0 49 -4,-1.6 3,-0.5 1,-0.2 -2,-0.1 0.908 84.0 58.7 -60.4 -44.3 28.0 -35.4 -19.9 245 93 B P T 34 S+ 0 0 72 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.689 109.9 44.4 -64.1 -16.6 29.6 -33.7 -16.9 246 94 B F T <4 S+ 0 0 46 -3,-0.9 -2,-0.2 -4,-0.1 -3,-0.1 0.706 88.0 102.7-100.0 -25.2 27.4 -30.6 -17.3 247 95 B L < + 0 0 1 -4,-1.2 -80,-0.1 -3,-0.5 -81,-0.1 -0.258 39.1 176.2 -57.9 144.7 24.0 -32.3 -17.9 248 96 B K S S+ 0 0 86 -82,-0.2 -1,-0.1 3,-0.1 4,-0.1 0.637 78.6 31.3-119.0 -34.8 21.6 -32.3 -14.9 249 97 B L S S+ 0 0 25 1,-0.1 4,-0.1 2,-0.1 3,-0.1 0.692 130.3 30.9 -99.5 -21.9 18.4 -33.9 -16.3 250 98 B K S > S+ 0 0 27 -84,-0.1 4,-1.0 2,-0.1 -1,-0.1 -0.035 81.9 109.2-128.4 31.4 19.8 -36.2 -19.0 251 99 B Q H > S+ 0 0 60 2,-0.2 4,-2.5 3,-0.1 5,-0.2 0.909 78.6 51.2 -74.9 -43.3 23.2 -37.3 -17.5 252 100 B K H > S+ 0 0 146 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.956 112.1 46.2 -58.2 -51.7 22.3 -40.8 -16.7 253 101 B Q H > S+ 0 0 10 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.787 111.0 54.8 -64.5 -27.4 20.9 -41.5 -20.2 254 102 B A H X S+ 0 0 0 -4,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.922 108.4 47.7 -67.3 -44.9 24.0 -39.8 -21.6 255 103 B N H X S+ 0 0 62 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.900 112.3 49.4 -63.6 -41.7 26.2 -42.2 -19.6 256 104 B L H X S+ 0 0 22 -4,-2.4 4,-2.2 2,-0.2 3,-0.5 0.915 107.5 55.5 -62.8 -44.7 24.2 -45.3 -20.8 257 105 B V H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 3,-0.3 0.948 111.3 41.4 -55.2 -52.5 24.4 -44.2 -24.4 258 106 B L H < S+ 0 0 21 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.623 111.0 58.4 -76.7 -9.6 28.2 -44.0 -24.5 259 107 B K H X S+ 0 0 100 -4,-0.9 4,-1.0 -3,-0.5 -1,-0.2 0.800 107.5 48.0 -80.7 -33.3 28.4 -47.2 -22.5 260 108 B I H >X S+ 0 0 0 -4,-2.2 4,-1.6 -3,-0.3 3,-1.4 0.970 103.9 58.8 -64.8 -54.3 26.4 -48.8 -25.3 261 109 B I H 3< S+ 0 0 20 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.714 106.7 50.5 -51.5 -22.8 28.6 -47.4 -28.0 262 110 B E H 34 S+ 0 0 104 -4,-0.4 -1,-0.3 -5,-0.2 4,-0.3 0.804 112.1 44.4 -85.1 -31.6 31.5 -49.2 -26.4 263 111 B Q H X S+ 0 0 23 -4,-1.6 4,-0.7 1,-0.2 3,-0.6 0.903 81.3 53.7 -51.5 -49.7 28.4 -52.3 -29.7 265 113 B P H 34 S+ 0 0 86 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.875 117.7 36.0 -57.4 -39.0 31.4 -54.1 -31.3 266 114 B S H >> S+ 0 0 47 -3,-0.4 4,-1.0 -4,-0.3 3,-0.8 0.547 105.6 70.9 -91.6 -8.6 31.1 -57.1 -29.0 267 115 B A H << S+ 0 0 0 -4,-1.4 -1,-0.2 -3,-0.6 -3,-0.1 0.600 87.8 64.7 -81.9 -11.7 27.3 -57.0 -28.9 268 116 B K T 3< S+ 0 0 131 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.1 0.428 102.2 49.8 -91.5 0.3 27.1 -58.2 -32.5 269 117 B E T <4 S+ 0 0 151 -3,-0.8 -2,-0.2 1,-0.3 -1,-0.1 0.860 108.5 40.2-100.7 -59.8 28.6 -61.6 -31.7 270 118 B S >X - 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0 0 59 2,-0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.547 56.7-176.0 -92.4 66.3 9.4 -39.4 -20.9 290 138 B S < + 0 0 57 -2,-1.2 -5,-0.0 -5,-0.7 -4,-0.0 -0.305 21.7 153.1 -65.9 146.7 8.6 -42.4 -23.0 291 139 B K S S+ 0 0 178 -2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.433 70.5 34.5-149.9 -15.2 5.1 -42.7 -24.4 292 140 B T S S+ 0 0 138 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 0.020 70.7 150.3-138.9 28.0 5.0 -44.7 -27.6 293 141 B R + 0 0 83 1,-0.2 3,-0.1 -8,-0.1 -115,-0.0 -0.526 7.3 162.2 -74.7 124.3 7.7 -47.3 -27.1 294 142 B K + 0 0 188 -2,-0.4 2,-0.6 1,-0.2 -1,-0.2 0.772 55.9 57.7-112.2 -40.5 6.9 -50.5 -29.1 295 143 B T + 0 0 26 -116,-0.1 -116,-0.5 4,-0.1 2,-0.2 -0.869 63.7 162.1-104.6 117.5 10.1 -52.5 -29.4 296 144 B T >> - 0 0 34 -2,-0.6 4,-2.0 -3,-0.1 3,-0.6 -0.755 56.3 -91.3-125.9 172.8 11.9 -53.5 -26.2 297 145 B S H 3> S+ 0 0 12 -19,-0.5 4,-2.0 1,-0.3 -18,-0.1 0.807 125.5 59.0 -53.9 -31.8 14.5 -56.1 -25.1 298 146 B E H 3> S+ 0 0 103 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.926 104.3 49.1 -63.5 -44.3 11.7 -58.5 -24.3 299 147 B T H <> S+ 0 0 56 -3,-0.6 4,-2.0 1,-0.2 -2,-0.2 0.892 113.2 47.2 -60.4 -40.5 10.5 -58.3 -28.0 300 148 B V H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.821 106.9 59.7 -68.9 -32.0 14.1 -59.0 -29.1 301 149 B R H < S+ 0 0 102 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.954 109.0 41.4 -62.5 -52.5 14.2 -61.8 -26.5 302 150 B A H < S+ 0 0 49 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.978 110.9 55.2 -56.4 -60.2 11.3 -63.7 -28.1 303 151 B V H < S+ 0 0 69 -4,-2.0 2,-1.6 1,-0.3 -1,-0.2 0.778 96.9 70.1 -47.5 -31.1 12.5 -63.0 -31.7 304 152 B L < 0 0 45 -4,-1.5 -1,-0.3 -5,-0.1 -4,-0.0 -0.514 360.0 360.0 -85.3 66.8 15.8 -64.6 -30.7 305 153 B D 0 0 173 -2,-1.6 -3,-0.0 0, 0.0 -4,-0.0 -0.972 360.0 360.0-155.8 360.0 14.2 -68.1 -30.4