==== 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 2VBL . 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) . 15972.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 70.1 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 . 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 . 15 4.9 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 . 126 41.4 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 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 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 0 133 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.7 39.9 -9.2 6.6 2 3 A T - 0 0 83 59,-0.1 2,-0.5 1,-0.0 59,-0.0 -0.529 360.0-148.1 -62.7 130.5 38.5 -5.8 7.2 3 4 A K - 0 0 146 -2,-0.2 2,-0.3 86,-0.0 83,-0.1 -0.930 10.7-140.3-105.0 124.4 39.8 -4.7 10.6 4 5 A Y - 0 0 25 -2,-0.5 57,-0.1 1,-0.1 2,-0.0 -0.669 19.5-107.6 -90.9 140.5 37.5 -2.4 12.6 5 6 A N > - 0 0 105 -2,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.321 25.9-127.5 -56.2 134.9 38.7 0.6 14.7 6 7 A K H > S+ 0 0 103 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.863 106.8 51.2 -58.7 -42.5 38.5 0.0 18.4 7 8 A E H > S+ 0 0 82 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.849 110.6 51.1 -66.6 -32.7 36.5 3.1 19.3 8 9 A F H > S+ 0 0 27 -3,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.922 110.9 47.4 -63.3 -49.5 33.9 2.1 16.6 9 10 A L H X S+ 0 0 7 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.880 110.7 51.9 -64.7 -40.4 33.6 -1.4 18.0 10 11 A L H X S+ 0 0 9 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.941 114.4 41.7 -61.1 -53.5 33.2 -0.1 21.6 11 12 A Y H X S+ 0 0 8 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.938 117.2 48.2 -56.2 -49.0 30.4 2.3 20.7 12 13 A L H X S+ 0 0 3 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.848 106.1 56.9 -65.5 -34.9 28.7 -0.2 18.3 13 14 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 82,-0.3 0.928 110.6 45.4 -61.6 -43.2 28.9 -3.0 20.9 14 15 A G H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.930 113.5 48.5 -61.3 -45.9 26.9 -0.7 23.3 15 16 A F H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.5 0.900 113.4 48.8 -66.7 -35.2 24.4 0.3 20.5 16 17 A V H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.911 105.2 54.8 -68.0 -44.0 24.0 -3.4 19.6 17 18 A D H < S+ 0 0 2 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.861 119.1 38.8 -61.2 -30.0 23.4 -4.6 23.2 18 19 A G H < S+ 0 0 15 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.1 0.981 137.3 5.1 -82.0 -63.0 20.6 -2.0 23.2 19 20 A D H < S+ 0 0 39 -4,-3.2 26,-1.9 -5,-0.1 -3,-0.2 0.300 108.0 93.7-110.3 3.3 18.8 -1.9 19.8 20 21 A G E < -A 44 0A 8 -4,-1.8 2,-0.3 -5,-0.5 24,-0.2 -0.398 53.6-154.0 -94.3 174.6 20.5 -4.8 18.0 21 22 A S E -A 43 0A 33 22,-2.4 22,-2.6 -2,-0.1 2,-0.6 -0.983 11.5-156.1-151.2 132.0 19.6 -8.5 17.7 22 23 A I E -A 42 0A 2 -2,-0.3 2,-0.5 20,-0.2 20,-0.2 -0.961 30.0-168.4-107.8 109.3 21.6 -11.7 17.0 23 24 A I E -A 41 0A 35 18,-3.1 18,-2.9 -2,-0.6 2,-0.5 -0.868 17.6-176.2-111.8 123.3 19.0 -14.1 15.5 24 25 A A E +A 40 0A 8 -2,-0.5 2,-0.3 16,-0.2 16,-0.2 -0.983 15.2 179.3-115.5 130.7 19.4 -17.8 14.8 25 26 A Q E -A 39 0A 93 14,-2.7 14,-2.2 -2,-0.5 2,-0.5 -0.932 27.8-148.6-128.9 150.7 16.5 -19.6 13.1 26 27 A I E -A 38 0A 9 116,-0.5 12,-0.2 -2,-0.3 116,-0.2 -0.986 25.5-161.6-113.1 114.6 15.7 -23.1 11.9 27 28 A E E -A 37 0A 62 10,-3.5 10,-2.1 -2,-0.5 2,-0.2 -0.880 12.7-134.9-103.7 122.1 13.5 -22.8 8.8 28 29 A P E +A 36 0A 71 0, 0.0 8,-0.3 0, 0.0 2,-0.2 -0.515 39.1 151.8 -72.9 137.1 11.4 -25.8 7.6 29 30 A N > - 0 0 57 6,-2.4 3,-1.8 -2,-0.2 6,-0.1 -0.743 38.7-148.3-171.0 113.4 11.7 -26.3 3.9 30 31 A A T 3 S+ 0 0 81 1,-0.3 5,-0.1 -2,-0.2 6,-0.1 0.527 92.2 70.2 -74.7 -6.4 11.2 -29.6 2.3 31 32 A S T 3 S+ 0 0 103 4,-0.1 -1,-0.3 3,-0.1 2,-0.3 0.454 85.1 84.8 -91.0 0.6 13.7 -28.9 -0.6 32 33 A Y S X S- 0 0 87 -3,-1.8 3,-2.4 1,-0.1 -3,-0.1 -0.715 93.1-104.3 -99.5 158.3 16.7 -28.9 1.8 33 34 A K T 3 S+ 0 0 139 1,-0.3 4,-0.1 -2,-0.3 -1,-0.1 0.817 120.2 26.7 -48.2 -48.5 18.6 -32.1 2.9 34 35 A F T 3 S- 0 0 29 2,-0.6 -1,-0.3 -5,-0.1 3,-0.1 0.083 116.6-103.9-109.5 24.6 17.2 -32.4 6.3 35 36 A K S < S+ 0 0 115 -3,-2.4 -6,-2.4 1,-0.1 2,-0.3 0.597 99.5 67.4 64.1 14.7 13.9 -30.6 5.4 36 37 A H E -A 28 0A 21 -8,-0.3 -2,-0.6 -6,-0.1 2,-0.3 -0.984 62.2-156.3-149.8 158.5 15.2 -27.5 7.2 37 38 A R E -A 27 0A 69 -10,-2.1 -10,-3.5 -2,-0.3 2,-0.4 -0.944 20.6-120.2-133.7 163.6 17.9 -24.9 7.0 38 39 A L E -A 26 0A 30 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.807 21.8-167.3 -99.5 139.5 19.7 -22.6 9.4 39 40 A K E -A 25 0A 86 -14,-2.2 -14,-2.7 -2,-0.4 2,-0.5 -0.999 0.9-169.8-128.3 125.2 19.5 -18.8 9.1 40 41 A L E +A 24 0A 11 -2,-0.4 2,-0.4 -16,-0.2 -16,-0.2 -0.980 12.1 178.7-116.9 126.7 21.8 -16.6 11.1 41 42 A T E -A 23 0A 19 -18,-2.9 -18,-3.1 -2,-0.5 2,-0.5 -0.984 23.7-158.5-132.5 135.8 21.2 -12.8 11.1 42 43 A F E +AB 22 77A 1 35,-2.3 35,-2.4 -2,-0.4 2,-0.4 -0.958 28.9 178.2-105.7 130.0 22.7 -9.8 12.7 43 44 A K E -AB 21 76A 54 -22,-2.6 -22,-2.4 -2,-0.5 2,-0.4 -0.978 24.3-167.3-136.3 141.3 20.2 -6.9 12.8 44 45 A V E -AB 20 75A 0 31,-2.0 31,-2.9 -2,-0.4 2,-0.3 -0.985 19.4-155.9-127.7 122.0 20.1 -3.4 14.1 45 46 A T E + B 0 74A 47 -26,-1.9 2,-0.3 -2,-0.4 29,-0.2 -0.744 19.8 160.1 -97.3 143.8 16.6 -1.8 14.2 46 47 A Q E - B 0 73A 12 27,-2.4 27,-3.6 -2,-0.3 -2,-0.0 -0.963 47.0 -89.9-158.7 145.6 15.9 2.0 14.2 47 48 A K E > - B 0 72A 85 -2,-0.3 3,-2.4 25,-0.3 25,-0.3 -0.218 45.5-118.5 -49.2 139.5 12.9 4.3 13.4 48 49 A T G > S+ 0 0 33 23,-2.0 3,-2.5 1,-0.3 4,-0.2 0.804 110.3 69.7 -67.7 -25.8 13.1 5.2 9.8 49 50 A Q G 3 S+ 0 0 127 22,-0.4 -1,-0.3 1,-0.3 3,-0.3 0.802 104.7 45.5 -59.9 -19.4 13.6 8.9 10.4 50 51 A R G X> S+ 0 0 42 -3,-2.4 3,-1.8 1,-0.2 4,-0.8 0.069 75.1 120.5-107.7 24.9 17.0 7.8 11.7 51 52 A R H <> + 0 0 79 -3,-2.5 4,-2.4 1,-0.3 3,-0.4 0.808 61.3 72.9 -57.1 -30.5 17.7 5.5 8.8 52 53 A W H 3> S+ 0 0 127 -3,-0.3 4,-2.6 -4,-0.2 -1,-0.3 0.812 92.2 56.5 -55.6 -29.1 20.8 7.5 7.9 53 54 A F H <> S+ 0 0 7 -3,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.900 109.3 45.0 -69.0 -40.7 22.5 6.0 11.0 54 55 A L H X S+ 0 0 0 -4,-0.8 4,-1.4 -3,-0.4 -2,-0.2 0.826 111.2 53.0 -71.1 -36.4 21.8 2.5 9.7 55 56 A D H X S+ 0 0 65 -4,-2.4 4,-1.6 2,-0.2 3,-0.5 0.944 106.8 52.6 -64.4 -46.9 23.0 3.6 6.2 56 57 A K H X S+ 0 0 70 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.888 104.0 58.6 -49.6 -41.1 26.2 4.9 7.8 57 58 A L H X S+ 0 0 4 -4,-1.5 4,-3.1 1,-0.2 5,-0.4 0.868 99.4 56.3 -61.2 -40.1 26.6 1.5 9.4 58 59 A V H X S+ 0 0 42 -4,-1.4 4,-2.1 -3,-0.5 5,-0.3 0.928 111.0 44.8 -55.1 -46.3 26.6 -0.2 6.0 59 60 A D H < S+ 0 0 137 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.935 116.3 45.8 -65.9 -40.1 29.6 2.0 5.0 60 61 A E H < S+ 0 0 64 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.886 118.5 39.7 -72.9 -43.8 31.4 1.4 8.3 61 62 A I H < S- 0 0 1 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.855 101.3-139.9 -73.5 -33.1 30.9 -2.4 8.5 62 63 A G S < S+ 0 0 61 -4,-2.1 2,-0.3 -5,-0.4 -3,-0.1 0.458 73.6 51.0 96.1 -0.0 31.6 -2.5 4.7 63 64 A V S S+ 0 0 26 -5,-0.3 -1,-0.3 -6,-0.3 -2,-0.2 -0.925 74.4 62.0-158.3 168.9 28.9 -5.0 4.0 64 65 A G - 0 0 22 -2,-0.3 2,-0.3 -3,-0.1 13,-0.2 -0.339 59.8-122.5 94.6-179.6 25.2 -5.5 4.8 65 66 A Y E -C 76 0A 125 11,-2.0 11,-2.8 -2,-0.1 2,-0.4 -0.963 9.5-114.1-157.4 172.6 22.2 -3.5 3.8 66 67 A V E -C 75 0A 20 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.958 21.1-165.4-120.7 136.0 19.3 -1.5 5.1 67 68 A R E -C 74 0A 165 7,-2.4 7,-2.4 -2,-0.4 2,-0.5 -0.957 14.9-139.9-119.3 134.8 15.6 -2.4 4.6 68 69 A D E +C 73 0A 76 -2,-0.4 5,-0.2 5,-0.2 3,-0.1 -0.826 18.7 179.5 -90.6 127.3 12.8 -0.0 5.2 69 70 A E - 0 0 106 3,-2.7 2,-0.7 -2,-0.5 3,-0.2 -0.044 54.1 -95.0-116.4 35.0 9.8 -1.7 6.9 70 71 A G S S+ 0 0 50 1,-0.2 -1,-0.2 -22,-0.0 -22,-0.1 -0.857 110.4 18.7 89.6-111.6 7.6 1.3 7.2 71 72 A S S S+ 0 0 94 -2,-0.7 -23,-2.0 -3,-0.1 -22,-0.4 0.734 132.3 36.8 -72.3 -24.6 7.9 3.0 10.6 72 73 A V E -B 47 0A 49 -25,-0.3 -3,-2.7 -3,-0.2 2,-0.3 -0.910 67.4-153.6-126.4 161.9 11.2 1.3 11.3 73 74 A S E -BC 46 68A 0 -27,-3.6 -27,-2.4 -2,-0.3 2,-0.4 -0.812 10.3-150.0-126.6 159.9 14.2 0.3 9.3 74 75 A N E -BC 45 67A 5 -7,-2.4 -7,-2.4 -2,-0.3 2,-0.4 -0.994 12.2-143.8-137.3 132.1 16.8 -2.4 9.8 75 76 A Y E -BC 44 66A 0 -31,-2.9 -31,-2.0 -2,-0.4 2,-0.4 -0.811 32.0-167.1 -80.3 137.3 20.4 -2.9 9.1 76 77 A I E -BC 43 65A 16 -11,-2.8 -11,-2.0 -2,-0.4 2,-0.4 -0.989 19.1-177.6-131.3 134.5 20.9 -6.6 8.2 77 78 A L E +B 42 0A 2 -35,-2.4 -35,-2.3 -2,-0.4 -2,-0.0 -0.967 22.7 143.6-131.7 118.4 24.0 -8.7 7.8 78 79 A S + 0 0 50 -2,-0.4 -38,-0.2 -37,-0.2 -1,-0.1 0.605 30.1 115.7-117.4 -32.4 23.6 -12.4 6.7 79 80 A E > - 0 0 125 1,-0.1 4,-2.1 4,-0.1 5,-0.2 -0.277 63.5-139.1 -58.1 125.7 26.5 -13.2 4.4 80 81 A I H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.866 89.7 48.6 -66.9 -44.6 28.3 -15.8 6.4 81 82 A K H > S+ 0 0 158 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.956 116.4 39.6 -59.9 -55.1 31.9 -14.9 5.9 82 83 A P H > S+ 0 0 30 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.850 113.8 57.4 -65.8 -29.1 31.7 -11.2 6.7 83 84 A L H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.938 107.7 47.2 -57.9 -47.0 29.3 -12.0 9.5 84 85 A R H X S+ 0 0 106 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.922 113.9 47.3 -61.2 -46.4 31.9 -14.3 11.1 85 86 A N H X S+ 0 0 22 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.900 114.9 46.0 -65.3 -42.8 34.6 -11.6 10.7 86 87 A F H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 5,-0.2 0.950 114.0 46.0 -63.9 -52.0 32.4 -8.9 12.1 87 88 A L H X S+ 0 0 1 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.907 107.4 59.3 -63.3 -36.8 31.1 -10.8 15.1 88 89 A T H < S+ 0 0 71 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.912 112.4 40.0 -54.4 -43.0 34.7 -12.1 15.9 89 90 A Q H < S+ 0 0 34 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.839 118.8 44.4 -75.7 -33.5 35.8 -8.5 16.3 90 91 A L H >X S+ 0 0 0 -4,-2.1 3,-2.3 1,-0.2 4,-0.7 0.817 94.5 78.4 -80.4 -34.5 32.7 -7.1 18.1 91 92 A Q G >< S+ 0 0 37 -4,-2.8 3,-0.9 1,-0.3 -1,-0.2 0.798 82.7 61.5 -53.8 -37.9 32.2 -9.9 20.6 92 93 A P G 34 S+ 0 0 72 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.765 109.4 45.0 -55.6 -25.2 35.0 -8.9 23.1 93 94 A F G <4 S+ 0 0 43 -3,-2.3 -2,-0.2 -4,-0.2 2,-0.2 0.524 88.3 105.5-103.0 -11.4 33.1 -5.6 23.7 94 95 A L << + 0 0 5 -3,-0.9 -80,-0.1 -4,-0.7 -81,-0.1 -0.511 38.4 176.3 -68.5 141.5 29.6 -7.0 24.0 95 96 A K S S+ 0 0 86 -82,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.687 81.0 24.2-114.8 -35.0 28.1 -7.2 27.5 96 97 A L S S+ 0 0 28 2,-0.1 3,-0.2 1,-0.1 4,-0.2 0.755 131.3 36.9 -97.6 -33.2 24.5 -8.4 27.0 97 98 A K S > S+ 0 0 32 -84,-0.1 4,-2.2 1,-0.1 5,-0.2 0.121 79.0 109.3-110.6 17.2 24.9 -10.3 23.7 98 99 A Q H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.939 81.1 48.3 -64.8 -41.6 28.4 -11.8 24.0 99 100 A K H > S+ 0 0 144 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.924 109.8 51.0 -66.6 -44.0 27.1 -15.4 24.4 100 101 A Q H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.929 111.0 50.0 -53.5 -48.7 24.7 -15.2 21.4 101 102 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.920 110.8 48.8 -57.8 -45.9 27.6 -13.9 19.3 102 103 A N H X S+ 0 0 63 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.882 110.2 51.0 -68.4 -34.2 29.9 -16.7 20.4 103 104 A L H X S+ 0 0 20 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.897 108.8 51.7 -61.5 -43.5 27.2 -19.3 19.7 104 105 A V H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.944 111.3 47.3 -58.1 -46.1 26.7 -17.8 16.2 105 106 A L H X S+ 0 0 14 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.905 111.2 51.7 -62.3 -40.6 30.5 -18.1 15.7 106 107 A K H X S+ 0 0 94 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.908 112.0 45.9 -58.7 -44.3 30.4 -21.7 17.0 107 108 A I H < S+ 0 0 0 -4,-2.6 4,-0.5 1,-0.2 3,-0.4 0.881 109.6 54.6 -66.6 -39.8 27.6 -22.6 14.6 108 109 A T H >< S+ 0 0 10 -4,-2.4 3,-0.7 1,-0.3 -1,-0.2 0.838 103.6 55.6 -67.5 -37.9 29.3 -20.9 11.6 109 110 A E H 3< S+ 0 0 97 -4,-1.9 -1,-0.3 1,-0.2 4,-0.3 0.830 113.2 41.8 -64.5 -30.3 32.5 -23.0 12.3 110 111 A Q T 3X S+ 0 0 59 -4,-1.0 4,-2.0 -3,-0.4 -1,-0.2 0.404 81.1 102.6 -95.0 -0.9 30.4 -26.2 12.0 111 112 A L H <> S+ 0 0 58 -3,-0.7 4,-0.6 -4,-0.5 3,-0.2 0.907 81.1 53.9 -56.3 -41.8 28.2 -25.3 9.0 112 113 A P H >4 S+ 0 0 104 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.969 115.6 37.4 -52.1 -56.7 30.4 -27.5 6.7 113 114 A S H >> S+ 0 0 46 -4,-0.3 3,-0.8 1,-0.2 4,-0.7 0.707 95.4 86.0 -65.7 -21.7 30.0 -30.6 8.9 114 115 A A H 3< S+ 0 0 4 -4,-2.0 -1,-0.2 1,-0.3 7,-0.2 0.719 91.3 46.8 -66.2 -22.7 26.4 -29.9 9.8 115 116 A K T << S+ 0 0 38 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.826 93.4 81.2 -75.9 -35.6 25.1 -31.6 6.7 116 117 A E T <4 S+ 0 0 87 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.1 0.833 102.8 16.5 -38.4 -52.5 27.4 -34.6 7.2 117 118 A S X - 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0 0 128 1,-0.1 4,-2.5 4,-0.1 5,-0.2 -0.300 64.4-137.5 -56.9 127.5 21.0 15.3 40.9 233 81 B I H > S+ 0 0 84 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.873 91.5 45.8 -65.7 -44.4 22.1 18.3 38.9 234 82 B K H > S+ 0 0 178 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.972 117.7 42.9 -65.1 -50.9 25.9 18.6 39.6 235 83 B P H > S+ 0 0 25 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.879 113.5 53.8 -59.5 -36.9 26.6 14.9 39.0 236 84 B L H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.935 109.4 48.0 -62.1 -44.4 24.3 14.9 36.0 237 85 B H H X S+ 0 0 48 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.931 112.8 48.0 -58.9 -46.8 26.3 17.8 34.5 238 86 B N H X S+ 0 0 20 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.898 114.9 45.9 -61.8 -41.1 29.6 16.1 35.2 239 87 B F H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 5,-0.2 0.950 114.2 45.1 -70.9 -50.5 28.5 12.9 33.7 240 88 B L H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.844 107.4 60.3 -65.0 -32.2 26.9 14.3 30.5 241 89 B T H < S+ 0 0 59 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.938 112.6 38.7 -56.3 -43.8 29.9 16.6 30.0 242 90 B Q H < S+ 0 0 26 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.804 119.7 45.2 -79.8 -31.2 32.1 13.5 29.7 243 91 B L H >X S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.1 4,-0.7 0.813 94.7 77.4 -74.9 -36.6 29.6 11.3 27.8 244 92 B Q G >< S+ 0 0 37 -4,-2.4 3,-0.8 1,-0.3 -1,-0.1 0.789 83.1 61.6 -58.0 -36.2 28.5 13.9 25.2 245 93 B P G 34 S+ 0 0 70 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.772 109.7 43.7 -62.3 -20.8 31.6 13.7 22.9 246 94 B F G <4 S+ 0 0 42 -3,-2.0 -2,-0.2 -4,-0.2 2,-0.1 0.535 90.1 104.3-100.5 -10.4 30.8 10.0 22.2 247 95 B L << + 0 0 5 -3,-0.8 -80,-0.1 -4,-0.7 -81,-0.1 -0.476 38.0 173.9 -69.9 141.6 27.1 10.3 21.7 248 96 B K S S+ 0 0 79 -82,-0.3 4,-0.2 -2,-0.1 -1,-0.1 0.668 79.1 27.0-113.9 -43.0 25.8 10.2 18.1 249 97 B L S S+ 0 0 26 1,-0.1 4,-0.2 2,-0.1 3,-0.2 0.803 132.3 34.2 -91.9 -29.4 22.0 10.2 18.3 250 98 B K S > S+ 0 0 31 -84,-0.1 4,-2.4 1,-0.1 5,-0.2 0.209 83.0 107.3-111.8 12.6 21.6 12.0 21.6 251 99 B Q H > S+ 0 0 74 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.911 80.5 49.2 -56.4 -45.8 24.5 14.4 21.4 252 100 B K H > S+ 0 0 110 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 110.7 50.9 -66.9 -40.9 22.3 17.5 20.8 253 101 B Q H > S+ 0 0 7 1,-0.2 4,-2.2 -4,-0.2 -1,-0.2 0.927 110.2 50.4 -57.4 -46.3 20.0 16.6 23.7 254 102 B A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.911 110.5 47.7 -59.7 -45.8 22.9 16.2 26.1 255 103 B N H X S+ 0 0 59 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.869 110.1 53.1 -70.3 -31.1 24.5 19.5 25.1 256 104 B L H X S+ 0 0 8 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.894 107.8 51.1 -64.8 -41.5 21.1 21.3 25.5 257 105 B V H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.925 109.9 50.1 -61.1 -42.5 20.8 19.8 29.0 258 106 B L H X S+ 0 0 12 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.921 111.2 48.8 -62.6 -42.2 24.3 21.1 29.8 259 107 B K H X S+ 0 0 85 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.930 111.6 49.1 -62.1 -46.3 23.3 24.6 28.5 260 108 B I H X S+ 0 0 0 -4,-3.0 4,-0.8 2,-0.2 3,-0.3 0.948 111.5 49.8 -53.4 -49.1 20.1 24.6 30.6 261 109 B I H >< S+ 0 0 17 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.933 109.0 50.8 -60.4 -45.3 22.1 23.5 33.7 262 110 B E H 3< S+ 0 0 108 -4,-2.4 4,-0.3 1,-0.3 -1,-0.2 0.841 115.0 44.6 -65.3 -28.5 24.7 26.3 33.2 263 111 B Q H 3X S+ 0 0 59 -4,-1.7 4,-2.2 -3,-0.3 -1,-0.3 0.482 82.1 100.3 -94.8 -0.7 21.9 28.9 32.9 264 112 B L H 4 S+ 0 0 83 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.950 113.9 40.3 -53.1 -49.8 20.9 30.4 38.2 266 114 B S H >> S+ 0 0 40 -4,-0.3 3,-1.4 1,-0.2 4,-1.1 0.815 107.7 63.2 -64.1 -32.8 20.0 33.2 35.7 267 115 B A H 3< S+ 0 0 1 -4,-2.2 7,-0.3 1,-0.3 -1,-0.2 0.797 99.5 54.9 -63.1 -26.6 16.8 31.5 34.7 268 116 B K T << S+ 0 0 143 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.575 104.1 56.8 -85.8 -7.3 15.5 31.8 38.3 269 117 B E T <4 S+ 0 0 142 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.767 109.9 29.0 -92.1 -34.7 16.1 35.6 38.2 270 118 B S X - 0 0 42 -4,-1.1 4,-2.9 1,-0.1 -1,-0.2 -0.992 60.8-137.6-143.0 140.4 14.0 36.8 35.3 271 119 B P H > S+ 0 0 77 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.832 107.9 51.4 -62.9 -35.4 10.9 35.7 33.4 272 120 B D H > S+ 0 0 125 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.899 112.0 46.0 -68.2 -42.8 12.4 36.3 30.0 273 121 B K H > S+ 0 0 43 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.913 112.4 51.4 -66.5 -41.8 15.5 34.2 30.9 274 122 B F H X S+ 0 0 12 -4,-2.9 4,-2.3 -7,-0.3 -2,-0.2 0.927 109.9 49.6 -58.2 -43.9 13.2 31.5 32.3 275 123 B L H X S+ 0 0 27 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.904 108.8 52.8 -62.3 -39.8 11.2 31.5 29.1 276 124 B E H X S+ 0 0 91 -4,-2.0 4,-1.0 1,-0.2 3,-0.3 0.926 108.7 48.7 -68.0 -42.4 14.3 31.2 27.0 277 125 B V H >X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 3,-0.6 0.900 106.5 58.9 -64.1 -34.8 15.5 28.2 28.9 278 126 B C H 3X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 19,-0.3 0.855 99.7 56.3 -58.3 -37.3 12.0 26.7 28.4 279 127 B T H 3X S+ 0 0 54 -4,-1.7 4,-1.9 -3,-0.3 -1,-0.2 0.819 102.1 56.5 -65.3 -26.6 12.5 26.9 24.7 280 128 B W H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 3,-0.6 0.954 110.8 48.7 -62.6 -49.6 15.1 18.6 23.5 285 133 B A H 3<>S+ 0 0 9 -4,-2.3 5,-0.7 1,-0.3 -2,-0.2 0.868 107.5 56.5 -60.2 -33.0 11.6 17.2 23.3 286 134 B A H 3<5S+ 0 0 70 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.838 108.2 47.1 -68.6 -31.5 11.7 17.9 19.6 287 135 B L H <<5S+ 0 0 56 -4,-1.4 -2,-0.2 -3,-0.6 -1,-0.2 0.818 105.6 70.3 -75.7 -34.3 14.8 15.8 19.2 288 136 B N T <5S- 0 0 29 -4,-2.1 2,-1.7 -5,-0.1 -114,-0.0 -0.206 104.3 -98.0 -72.2 173.4 13.4 12.9 21.3 289 137 B D T 5 - 0 0 61 2,-0.0 2,-0.2 -2,-0.0 -3,-0.1 -0.512 58.0-175.2 -89.9 66.1 10.6 10.7 20.0 290 138 B S < + 0 0 62 -2,-1.7 -5,-0.0 -5,-0.7 0, 0.0 -0.497 23.5 149.6 -75.2 133.3 8.1 12.8 22.0 291 139 B K + 0 0 175 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.0 0.506 69.0 38.2-135.9 -20.9 4.5 11.5 22.0 292 140 B T S S+ 0 0 141 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 0.096 75.2 141.0-126.7 24.3 2.8 12.5 25.3 293 141 B R + 0 0 87 1,-0.1 3,-0.1 -8,-0.1 -115,-0.0 -0.366 13.4 161.6 -74.7 144.5 4.2 16.0 26.0 294 142 B K + 0 0 185 1,-0.2 2,-0.6 -115,-0.1 -1,-0.1 0.597 53.4 64.7-127.1 -56.3 1.8 18.6 27.5 295 143 B T + 0 0 20 -116,-0.2 -116,-0.5 4,-0.1 -1,-0.2 -0.671 62.0 163.8 -89.5 121.3 3.6 21.5 29.1 296 144 B T > - 0 0 36 -2,-0.6 4,-1.8 -3,-0.1 3,-0.1 -0.651 56.3 -91.6-124.6 176.7 5.7 23.6 26.7 297 145 B S H > S+ 0 0 11 -19,-0.3 4,-2.6 1,-0.2 5,-0.1 0.808 127.0 58.2 -62.4 -27.4 7.4 27.0 26.7 298 146 B E H > S+ 0 0 116 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.916 101.3 54.4 -67.4 -42.2 4.1 28.3 25.2 299 147 B T H > S+ 0 0 50 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.940 111.8 45.0 -50.0 -51.8 2.3 27.1 28.2 300 148 B V H < S+ 0 0 10 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.912 110.6 52.6 -58.3 -48.8 4.7 29.1 30.4 301 149 B R H < S+ 0 0 125 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.911 102.1 59.6 -54.7 -47.7 4.4 32.2 28.2 302 150 B A H < S+ 0 0 54 -4,-2.7 2,-3.6 1,-0.3 3,-0.3 0.898 90.7 69.5 -50.7 -43.8 0.6 32.2 28.4 303 151 B V S < S+ 0 0 79 -4,-1.4 -1,-0.3 -5,-0.2 -4,-0.0 -0.406 72.2 123.8 -69.9 65.8 1.1 32.5 32.1 304 152 B L 0 0 133 -2,-3.6 -1,-0.2 0, 0.0 -2,-0.1 0.881 360.0 360.0 -88.1 -90.9 2.3 36.0 31.1 305 153 B D 0 0 202 -3,-0.3 -2,-0.1 -4,-0.1 -3,-0.0 0.404 360.0 360.0 58.4 360.0 0.0 38.1 33.2