==== 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/DNA 14-SEP-07 2VBJ . 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, . 304 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16221.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 72.4 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 . 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 . 16 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 41.1 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 1 0 0 1 0 0 0 4 0 0 2 1 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 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 0 165 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.2 40.4 -9.4 6.9 2 3 A T - 0 0 84 59,-0.1 2,-0.6 1,-0.0 59,-0.0 -0.604 360.0-151.0 -55.9 122.6 38.7 -6.0 7.3 3 4 A K - 0 0 166 -2,-0.4 2,-0.1 86,-0.0 83,-0.0 -0.916 6.6-147.0-110.8 110.3 40.1 -4.9 10.7 4 5 A Y - 0 0 16 -2,-0.6 2,-0.1 1,-0.1 57,-0.0 -0.424 19.7-109.3 -81.7 145.1 37.8 -2.7 12.6 5 6 A N > - 0 0 101 -2,-0.1 4,-2.3 1,-0.1 3,-0.2 -0.408 23.2-121.8 -75.9 151.7 39.0 0.0 14.9 6 7 A K H > S+ 0 0 103 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.811 109.0 51.4 -57.8 -42.8 38.7 -0.4 18.7 7 8 A E H > S+ 0 0 84 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.856 110.5 51.8 -70.3 -33.7 36.6 2.7 19.4 8 9 A F H > S+ 0 0 29 -3,-0.2 4,-3.0 1,-0.2 5,-0.2 0.958 111.7 45.9 -62.0 -52.1 34.2 1.7 16.6 9 10 A L H X S+ 0 0 7 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.857 111.3 52.0 -60.1 -39.8 33.8 -1.8 18.1 10 11 A L H X S+ 0 0 10 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.963 115.0 41.1 -59.6 -55.6 33.3 -0.5 21.7 11 12 A Y H X S+ 0 0 10 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.928 117.2 48.8 -58.7 -47.6 30.5 2.0 20.7 12 13 A L H X S+ 0 0 2 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.884 107.0 55.2 -66.1 -36.1 28.9 -0.6 18.3 13 14 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 82,-0.3 0.890 109.6 47.1 -64.4 -38.1 28.9 -3.4 21.0 14 15 A G H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.915 114.4 47.6 -67.1 -41.8 27.0 -1.1 23.4 15 16 A F H X>S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 5,-0.5 0.903 113.6 47.5 -64.5 -39.4 24.6 -0.2 20.6 16 17 A V H X5S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.922 107.8 53.3 -68.3 -47.8 24.1 -3.8 19.6 17 18 A D H <5S+ 0 0 2 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.859 119.6 40.1 -55.8 -31.7 23.6 -5.0 23.2 18 19 A G H <5S+ 0 0 14 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.971 137.7 3.0 -79.3 -68.6 20.9 -2.2 23.3 19 20 A D H <5S+ 0 0 42 -4,-3.2 26,-1.8 -5,-0.1 -3,-0.2 0.338 109.4 92.6-108.4 5.0 19.0 -2.3 19.9 20 21 A G E << -A 44 0A 7 -4,-1.8 2,-0.3 -5,-0.5 24,-0.3 -0.360 53.7-154.4 -97.9 178.2 20.6 -5.2 18.1 21 22 A S E -A 43 0A 32 22,-2.4 22,-2.8 -2,-0.1 2,-0.6 -0.965 11.4-154.3-154.8 132.7 19.8 -8.9 17.8 22 23 A I E -A 42 0A 2 -2,-0.3 2,-0.4 20,-0.2 20,-0.2 -0.963 31.1-170.6-111.4 110.5 21.8 -12.1 17.2 23 24 A I E -A 41 0A 33 18,-3.1 18,-2.8 -2,-0.6 2,-0.4 -0.872 19.4-176.0-115.7 129.2 19.3 -14.5 15.7 24 25 A A E +A 40 0A 5 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.998 15.0 179.3-123.6 130.0 19.6 -18.2 14.9 25 26 A Q E -A 39 0A 90 14,-2.7 14,-2.4 -2,-0.4 2,-0.5 -0.924 27.1-148.6-130.8 152.3 16.6 -20.0 13.2 26 27 A I E -A 38 0A 6 116,-0.5 12,-0.2 -2,-0.3 116,-0.2 -0.987 26.3-161.2-116.6 114.4 15.8 -23.5 12.0 27 28 A E E -A 37 0A 62 10,-3.0 10,-1.9 -2,-0.5 2,-0.2 -0.881 13.4-131.7-105.6 125.7 13.5 -23.1 9.0 28 29 A P E +A 36 0A 73 0, 0.0 8,-0.3 0, 0.0 2,-0.2 -0.502 39.9 152.9 -71.9 136.8 11.4 -26.0 7.7 29 30 A N > - 0 0 55 6,-2.7 3,-1.8 -2,-0.2 6,-0.1 -0.752 39.4-145.1-167.6 118.4 11.7 -26.5 4.0 30 31 A Q T 3 S+ 0 0 156 1,-0.3 5,-0.1 -2,-0.2 6,-0.1 0.546 93.7 66.6 -71.1 -9.0 11.1 -29.8 2.2 31 32 A S T 3 S+ 0 0 104 4,-0.1 -1,-0.3 3,-0.1 2,-0.3 0.539 82.2 87.4 -94.1 -1.1 13.8 -29.2 -0.4 32 33 A Y S X S- 0 0 87 -3,-1.8 3,-2.7 1,-0.1 -3,-0.1 -0.665 89.8-111.9 -90.5 154.2 16.8 -29.2 1.9 33 34 A K T 3 S+ 0 0 142 1,-0.3 -1,-0.1 -2,-0.3 4,-0.1 0.876 119.0 34.8 -54.8 -44.6 18.5 -32.5 2.7 34 35 A F T 3 S- 0 0 28 2,-0.5 -1,-0.3 -5,-0.0 3,-0.1 0.209 115.4-109.6 -96.7 20.8 17.3 -32.5 6.3 35 36 A K S < S+ 0 0 96 -3,-2.7 -6,-2.7 -5,-0.1 2,-0.3 0.540 97.1 67.5 59.5 8.4 14.0 -30.9 5.5 36 37 A H E -A 28 0A 17 -8,-0.3 -2,-0.5 -6,-0.1 2,-0.3 -0.987 62.7-155.7-145.6 157.7 15.4 -27.8 7.3 37 38 A R E -A 27 0A 73 -10,-1.9 -10,-3.0 -2,-0.3 2,-0.4 -0.951 22.4-121.7-127.4 156.4 18.1 -25.1 6.9 38 39 A L E -A 26 0A 29 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.764 24.0-166.9 -92.7 138.2 19.9 -23.0 9.5 39 40 A K E -A 25 0A 78 -14,-2.4 -14,-2.7 -2,-0.4 2,-0.5 -0.996 2.5-171.2-127.1 126.0 19.6 -19.2 9.1 40 41 A L E +A 24 0A 7 -2,-0.4 2,-0.4 38,-0.3 -16,-0.2 -0.978 9.0 178.3-121.3 127.4 21.9 -16.9 11.2 41 42 A T E -A 23 0A 18 -18,-2.8 -18,-3.1 -2,-0.5 2,-0.5 -0.993 24.2-158.3-135.6 132.0 21.3 -13.1 11.2 42 43 A F E -AB 22 77A 0 35,-2.7 35,-2.3 -2,-0.4 2,-0.4 -0.939 31.3-179.0 -97.6 125.5 22.9 -10.2 12.9 43 44 A K E -AB 21 76A 54 -22,-2.8 -22,-2.4 -2,-0.5 2,-0.4 -0.973 24.6-169.7-132.1 138.4 20.3 -7.4 13.0 44 45 A V E -AB 20 75A 0 31,-1.9 31,-2.6 -2,-0.4 2,-0.3 -0.987 18.6-158.6-123.5 123.4 20.2 -3.8 14.2 45 46 A T E + B 0 74A 47 -26,-1.8 2,-0.3 -2,-0.4 29,-0.2 -0.742 18.2 161.6-101.6 143.8 16.7 -2.2 14.3 46 47 A Q E - B 0 73A 13 27,-2.6 27,-3.7 -2,-0.3 -2,-0.0 -0.967 46.9 -88.7-157.2 150.0 16.0 1.5 14.2 47 48 A K E > - B 0 72A 71 -2,-0.3 3,-2.8 25,-0.3 25,-0.3 -0.266 45.6-117.3 -51.5 137.2 13.0 3.8 13.5 48 49 A T G > S+ 0 0 19 23,-2.1 3,-2.5 1,-0.3 4,-0.3 0.814 111.5 68.7 -64.0 -27.2 13.2 4.7 9.7 49 50 A Q G 3 S+ 0 0 118 22,-0.4 -1,-0.3 1,-0.3 3,-0.3 0.809 105.7 44.4 -61.5 -17.7 13.7 8.4 10.3 50 51 A R G X> S+ 0 0 42 -3,-2.8 3,-1.9 1,-0.2 4,-0.9 0.123 74.9 118.4-109.0 22.5 17.1 7.3 11.7 51 52 A R H <> + 0 0 114 -3,-2.5 4,-2.9 1,-0.3 3,-0.2 0.813 63.5 72.5 -58.4 -24.4 17.9 4.9 8.8 52 53 A W H 3> S+ 0 0 123 -4,-0.3 4,-2.6 -3,-0.3 -1,-0.3 0.840 92.7 56.7 -58.0 -30.3 20.9 7.0 7.9 53 54 A F H <> S+ 0 0 14 -3,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.927 110.1 43.5 -66.0 -42.2 22.5 5.6 11.1 54 55 A L H X S+ 0 0 0 -4,-0.9 4,-1.8 -3,-0.2 -2,-0.2 0.873 111.0 54.4 -74.2 -36.4 22.0 2.1 9.7 55 56 A D H X S+ 0 0 77 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.945 106.8 51.7 -58.9 -48.5 23.2 3.1 6.2 56 57 A K H X S+ 0 0 118 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.905 104.1 58.7 -52.9 -40.0 26.4 4.4 7.8 57 58 A L H X>S+ 0 0 4 -4,-1.6 4,-3.4 1,-0.2 5,-0.5 0.916 100.8 54.9 -57.9 -44.7 26.7 1.0 9.5 58 59 A V H X5S+ 0 0 40 -4,-1.8 4,-2.1 1,-0.2 5,-0.3 0.922 110.5 47.0 -53.3 -46.3 26.8 -0.7 6.1 59 60 A D H <5S+ 0 0 135 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.917 115.9 43.0 -65.7 -41.4 29.6 1.6 5.1 60 61 A E H <5S+ 0 0 72 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.910 119.4 40.9 -75.0 -42.0 31.6 1.0 8.3 61 62 A I H <5S- 0 0 1 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.857 101.0-143.2 -69.1 -34.6 31.1 -2.8 8.5 62 63 A G S < - 0 0 133 1,-0.1 4,-2.3 4,-0.1 5,-0.2 -0.466 66.8-131.4 -59.9 125.9 26.2 -13.9 4.6 80 81 A I H > S+ 0 0 67 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.850 92.3 46.8 -61.9 -49.5 28.1 -16.5 6.6 81 82 A K H > S+ 0 0 91 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.949 117.1 39.4 -62.3 -51.6 31.8 -15.5 6.0 82 83 A P H > S+ 0 0 27 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.914 114.2 56.7 -66.7 -34.0 31.6 -11.8 6.6 83 84 A L H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.944 108.6 47.7 -55.2 -44.2 29.2 -12.5 9.5 84 85 A R H X S+ 0 0 120 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.920 112.5 48.0 -63.6 -44.4 31.9 -14.8 11.0 85 86 A N H X S+ 0 0 17 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.895 115.0 45.6 -62.5 -44.1 34.6 -12.2 10.5 86 87 A F H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.2 5,-0.2 0.946 113.5 46.4 -68.0 -48.2 32.5 -9.4 12.0 87 88 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.3 -2,-0.2 0.899 106.1 60.0 -67.3 -34.6 31.3 -11.3 15.1 88 89 A T H < S+ 0 0 73 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.937 112.4 40.2 -54.9 -42.5 34.7 -12.6 15.8 89 90 A Q H < S+ 0 0 25 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.840 119.6 43.1 -76.3 -32.5 35.9 -9.0 16.2 90 91 A L H >X S+ 0 0 0 -4,-2.1 3,-2.4 1,-0.2 4,-0.8 0.869 93.9 81.2 -82.2 -35.1 32.8 -7.7 18.0 91 92 A Q G >< S+ 0 0 43 -4,-3.0 3,-0.8 1,-0.3 -1,-0.2 0.758 83.7 59.1 -43.0 -44.5 32.4 -10.6 20.5 92 93 A P G 34 S+ 0 0 69 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.750 108.6 46.1 -60.5 -23.4 35.1 -9.4 23.0 93 94 A F G <4 S+ 0 0 36 -3,-2.4 -2,-0.2 -4,-0.2 2,-0.1 0.552 88.5 103.3 -99.8 -13.3 33.3 -6.2 23.6 94 95 A L << + 0 0 3 -3,-0.8 -80,-0.1 -4,-0.8 -81,-0.1 -0.456 38.1 175.3 -70.7 144.3 29.7 -7.5 24.0 95 96 A K S S+ 0 0 114 -82,-0.3 -1,-0.1 -2,-0.1 4,-0.1 0.681 80.3 27.0-119.4 -33.5 28.2 -7.7 27.5 96 97 A L S S+ 0 0 26 2,-0.1 4,-0.2 1,-0.1 3,-0.2 0.724 132.2 33.6 -95.9 -27.9 24.6 -8.8 27.0 97 98 A K S > S+ 0 0 33 -84,-0.2 4,-2.6 1,-0.1 5,-0.2 0.233 82.2 108.0-117.6 18.1 24.9 -10.7 23.7 98 99 A Q H > S+ 0 0 68 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.916 81.3 48.5 -62.1 -43.7 28.4 -12.2 24.0 99 100 A K H > S+ 0 0 142 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.901 111.0 50.2 -65.2 -39.7 27.2 -15.7 24.5 100 101 A Q H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.932 110.1 51.5 -62.4 -48.5 24.8 -15.5 21.5 101 102 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.932 111.1 47.7 -51.3 -50.0 27.7 -14.2 19.4 102 103 A N H X S+ 0 0 62 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.884 109.4 53.0 -66.3 -34.8 29.9 -17.1 20.4 103 104 A L H X S+ 0 0 18 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.895 108.7 49.7 -60.4 -39.5 27.2 -19.7 19.7 104 105 A V H X S+ 0 0 3 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.938 111.8 48.8 -65.8 -42.2 26.8 -18.3 16.2 105 106 A L H X S+ 0 0 29 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.926 111.6 50.0 -63.8 -42.4 30.6 -18.5 15.7 106 107 A K H X S+ 0 0 82 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.917 112.5 46.1 -61.7 -45.3 30.5 -22.1 17.0 107 108 A I H >X S+ 0 0 0 -4,-2.7 4,-0.9 2,-0.2 3,-0.5 0.923 110.4 53.4 -60.8 -49.4 27.6 -23.1 14.7 108 109 A T H >< S+ 0 0 12 -4,-2.9 3,-1.0 1,-0.3 -2,-0.2 0.909 106.5 53.4 -53.3 -46.4 29.3 -21.4 11.7 109 110 A E H 3< S+ 0 0 130 -4,-2.3 4,-0.3 1,-0.3 -1,-0.3 0.826 115.2 40.2 -62.0 -31.2 32.5 -23.4 12.4 110 111 A Q H 4 S+ 0 0 102 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.892 113.6 38.7 -48.4 -54.8 30.3 -27.9 6.9 113 114 A S H >4 S+ 0 0 55 -4,-0.3 3,-0.5 1,-0.2 -2,-0.2 0.570 106.5 69.7 -72.2 -7.8 30.2 -31.1 8.9 114 115 A A H X< S+ 0 0 3 -3,-1.9 3,-1.1 -4,-1.3 2,-0.8 0.853 90.1 59.7 -72.6 -37.8 26.6 -30.5 9.9 115 116 A K T << S+ 0 0 71 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.1 -0.098 100.9 59.8 -85.6 39.4 25.4 -31.0 6.3 116 117 A E T < S+ 0 0 68 -2,-0.8 -1,-0.2 -3,-0.5 -2,-0.1 0.325 103.8 29.3-152.6 -4.1 26.8 -34.6 6.4 117 118 A S <> - 0 0 46 -3,-1.1 4,-1.7 -4,-0.1 3,-0.4 -0.900 61.5-129.4-160.0 140.3 25.0 -36.4 9.2 118 119 A P T 4 S+ 0 0 60 0, 0.0 2,-1.3 0, 0.0 -2,-0.0 -0.302 101.4 43.7 -62.6 171.7 21.9 -36.6 11.2 119 120 A D T > S+ 0 0 137 1,-0.2 4,-0.5 -2,-0.1 -5,-0.0 -0.155 116.4 52.2 76.3 -43.0 22.7 -36.6 15.0 120 121 A K H > S+ 0 0 49 -2,-1.3 4,-1.8 -3,-0.4 -1,-0.2 0.747 106.3 49.8 -95.1 -29.7 25.2 -33.8 14.2 121 122 A F H X S+ 0 0 14 -4,-1.7 4,-2.1 2,-0.2 5,-0.1 0.929 113.8 48.7 -61.9 -44.8 22.7 -31.6 12.4 122 123 A L H > S+ 0 0 13 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.846 107.9 55.3 -61.5 -34.8 20.5 -32.1 15.4 123 124 A E H X S+ 0 0 84 -4,-0.5 4,-0.8 1,-0.2 3,-0.4 0.926 106.7 48.3 -65.7 -43.9 23.4 -31.3 17.6 124 125 A V H >X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 3,-1.0 0.899 105.6 61.0 -63.3 -37.0 23.9 -27.9 15.9 125 126 A C H 3X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.3 19,-0.4 0.810 98.5 55.6 -59.8 -33.2 20.1 -27.3 16.3 126 127 A T H 3X S+ 0 0 54 -4,-1.3 4,-1.7 -3,-0.4 -1,-0.3 0.762 103.0 56.0 -70.9 -22.9 20.4 -27.5 20.0 127 128 A W H S+ 0 0 10 -4,-2.4 5,-0.8 1,-0.2 -2,-0.2 0.852 107.9 54.5 -58.2 -33.4 17.0 -18.5 21.5 133 134 A A H <5S+ 0 0 82 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.849 108.0 49.2 -68.2 -35.7 17.0 -19.2 25.2 134 135 A L H <5S+ 0 0 57 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.797 105.6 69.2 -73.5 -30.0 19.5 -16.3 25.7 135 136 A N T <5S- 0 0 28 -4,-1.7 2,-1.5 -5,-0.1 -114,-0.0 -0.236 104.1 -97.6 -78.5 171.8 17.4 -13.9 23.7 136 137 A D T 5 - 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0 0 57 -2,-0.1 2,-0.2 2,-0.0 -3,-0.1 -0.526 58.6-174.3 -84.8 67.8 10.7 10.3 19.9 290 138 B S < + 0 0 61 -2,-1.7 -5,-0.0 -5,-0.7 0, 0.0 -0.516 24.8 147.2 -76.6 134.7 8.3 12.5 21.9 291 139 B K + 0 0 175 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.0 0.475 68.9 38.4-136.7 -21.3 4.6 11.2 22.0 292 140 B T S S+ 0 0 133 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 0.139 74.7 139.5-124.0 21.5 3.0 12.1 25.3 293 141 B R + 0 0 85 1,-0.1 3,-0.1 -8,-0.1 -115,-0.0 -0.413 14.7 163.4 -78.4 143.8 4.3 15.6 26.1 294 142 B K + 0 0 188 1,-0.2 2,-0.6 -115,-0.2 -1,-0.1 0.659 54.1 63.8-123.4 -53.0 1.9 18.2 27.5 295 143 B T + 0 0 25 -116,-0.2 -116,-0.4 4,-0.1 -1,-0.2 -0.692 62.4 166.4 -93.8 122.7 3.7 21.1 29.1 296 144 B T > - 0 0 38 -2,-0.6 4,-1.9 -3,-0.1 3,-0.3 -0.675 54.4 -91.4-126.2 177.1 5.8 23.2 26.6 297 145 B S H > S+ 0 0 16 -19,-0.3 4,-2.5 1,-0.2 5,-0.1 0.825 127.1 55.9 -64.9 -25.8 7.5 26.6 26.6 298 146 B E H > S+ 0 0 115 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.869 101.2 55.9 -74.8 -33.9 4.2 28.0 25.2 299 147 B T H > S+ 0 0 52 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.966 111.0 45.9 -52.6 -49.6 2.3 26.6 28.1 300 148 B V H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.932 110.8 51.4 -59.3 -50.5 4.7 28.6 30.3 301 149 B R H < S+ 0 0 141 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.875 109.5 51.1 -55.4 -43.3 4.4 31.8 28.2 302 150 B A H < S+ 0 0 55 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.919 110.2 48.8 -55.1 -44.7 0.6 31.7 28.4 303 151 B V H < S+ 0 0 70 -4,-1.7 2,-0.7 -5,-0.2 -2,-0.2 0.801 88.8 92.0 -81.0 -24.1 0.6 31.3 32.1 304 152 B L < 0 0 47 -4,-1.8 -1,-0.0 -5,-0.2 -117,-0.0 -0.604 360.0 360.0 -75.7 110.9 3.1 34.2 32.7 305 153 B D 0 0 214 -2,-0.7 -1,-0.1 0, 0.0 -2,-0.1 0.427 360.0 360.0-136.4 360.0 0.8 37.2 33.1