==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 29-MAR-07 2PBZ . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS KODAKARENSIS; . AUTHOR R.AGARWAL,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CEN . 879 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 539 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 0 0.0 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 . 76 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.4 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 6 6 0 0 0 0 5 1 0 3 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 0 0 6 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 . 6 6 0 3 6 0 6 0 0 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 6 0 0 3 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 4 A I 0 0 78 0, 0.0 59,-3.4 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 -51.5 26.6 58.7 50.1 2 5 A V E +ab 24 60A 4 21,-1.9 23,-2.3 57,-0.2 2,-0.3 -0.870 360.0 153.6-106.3 116.7 29.7 57.8 48.0 3 6 A S E +a 25 0A 1 57,-1.8 2,-0.3 -2,-0.6 23,-0.2 -0.911 6.9 154.1-135.7 159.9 33.1 59.1 49.1 4 7 A T E -a 26 0A 3 21,-1.3 23,-1.8 -2,-0.3 58,-0.1 -0.978 46.2 -69.6-173.5 166.8 36.8 58.2 48.8 5 8 A I E -a 27 0A 7 -2,-0.3 2,-1.2 57,-0.2 4,-0.2 -0.401 50.1-111.9 -70.6 144.7 40.4 59.5 48.9 6 9 A A S S+ 0 0 2 21,-2.2 2,-0.3 -2,-0.1 23,-0.2 -0.641 83.1 52.9 -82.5 94.5 41.5 61.7 46.0 7 10 A S S > S+ 0 0 2 -2,-1.2 2,-2.0 21,-0.1 3,-1.3 -0.923 83.0 40.2 164.9 179.3 44.1 59.7 44.1 8 11 A H T 3 S- 0 0 36 -2,-0.3 492,-0.8 1,-0.2 493,-0.1 -0.328 132.2 -18.0 58.2 -79.4 44.6 56.3 42.4 9 12 A S T 3> S+ 0 0 0 -2,-2.0 4,-2.2 -4,-0.2 -1,-0.2 0.019 91.8 123.3-148.8 33.4 41.2 56.0 40.8 10 13 A S H <> S+ 0 0 0 -3,-1.3 4,-3.0 2,-0.2 5,-0.2 0.738 75.1 59.1 -69.9 -23.6 38.8 58.4 42.5 11 14 A L H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.946 109.5 41.5 -68.4 -50.3 38.0 60.1 39.2 12 15 A Q H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.931 117.6 50.0 -60.5 -47.8 36.7 56.9 37.7 13 16 A I H X S+ 0 0 4 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.940 114.1 41.6 -57.9 -54.2 35.0 56.0 41.0 14 17 A L H X S+ 0 0 1 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.884 113.6 52.2 -64.8 -40.6 33.2 59.4 41.5 15 18 A L H X S+ 0 0 9 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.922 110.9 48.9 -62.5 -42.0 32.2 59.8 37.9 16 19 A G H X S+ 0 0 2 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.841 112.6 47.9 -66.4 -33.1 30.6 56.3 38.0 17 20 A A H <>S+ 0 0 2 -4,-1.6 5,-2.4 2,-0.2 3,-0.5 0.942 111.7 47.2 -72.4 -48.0 28.8 57.1 41.2 18 21 A K H ><5S+ 0 0 71 -4,-2.9 3,-0.6 1,-0.2 -1,-0.2 0.767 111.2 56.5 -63.7 -22.7 27.4 60.5 40.0 19 22 A K H 3<5S+ 0 0 62 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.824 104.6 49.2 -77.4 -33.0 26.5 58.4 36.9 20 23 A E T 3<5S- 0 0 17 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.275 125.9-102.0 -88.8 10.4 24.4 56.0 38.9 21 24 A G T < 5S+ 0 0 65 -3,-0.6 -3,-0.2 1,-0.3 -2,-0.1 0.466 76.9 138.5 85.5 1.3 22.7 58.9 40.6 22 25 A F < - 0 0 18 -5,-2.4 -1,-0.3 -6,-0.2 2,-0.2 -0.333 55.8-109.6 -76.7 162.5 24.6 58.8 43.8 23 26 A K - 0 0 134 -2,-0.1 -21,-1.9 20,-0.0 2,-0.4 -0.619 34.7-130.4 -89.8 154.6 25.9 61.8 45.7 24 27 A T E +a 2 0A 3 -2,-0.2 20,-3.4 -23,-0.1 19,-0.6 -0.896 25.9 173.6-118.6 137.0 29.6 62.5 45.8 25 28 A R E -ac 3 44A 51 -23,-2.3 -21,-1.3 -2,-0.4 2,-0.4 -0.974 9.2-170.4-138.5 123.2 32.2 63.3 48.5 26 29 A L E -ac 4 45A 0 18,-2.4 20,-2.3 -2,-0.4 2,-0.6 -0.944 14.0-151.1-119.1 131.4 35.9 63.5 48.0 27 30 A Y E +ac 5 46A 24 -23,-1.8 -21,-2.2 -2,-0.4 2,-0.3 -0.888 33.7 164.0 -97.2 119.3 38.6 63.8 50.7 28 31 A V E - c 0 47A 1 18,-1.8 20,-2.2 -2,-0.6 22,-0.1 -0.946 34.9-115.1-137.8 156.6 41.5 65.7 49.2 29 32 A S > - 0 0 26 -2,-0.3 4,-1.7 18,-0.2 3,-0.2 -0.449 33.7-108.5 -87.0 162.9 44.7 67.6 50.4 30 33 A P T 4 S+ 0 0 57 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.904 117.2 52.6 -58.0 -40.8 45.2 71.3 50.0 31 34 A K T 4 S+ 0 0 154 1,-0.2 -3,-0.0 2,-0.1 0, 0.0 0.865 117.0 37.0 -64.3 -36.8 47.9 70.8 47.3 32 35 A R T > S+ 0 0 64 -3,-0.2 4,-1.2 1,-0.2 3,-0.4 0.604 95.1 85.0 -92.8 -12.0 45.8 68.5 45.1 33 36 A R H X S+ 0 0 98 -4,-1.7 4,-2.9 1,-0.2 5,-0.3 0.765 72.8 70.7 -64.9 -28.5 42.4 70.2 45.6 34 37 A P H > S+ 0 0 38 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.966 105.3 42.2 -51.9 -51.1 42.7 72.9 42.9 35 38 A F H >4 S+ 0 0 3 -3,-0.4 3,-0.6 1,-0.2 -2,-0.2 0.937 118.3 43.3 -58.7 -52.9 42.4 70.2 40.2 36 39 A Y H >< S+ 0 0 1 -4,-1.2 3,-1.3 1,-0.2 6,-0.2 0.788 106.6 60.1 -68.4 -28.7 39.6 68.2 41.9 37 40 A S H 3< S+ 0 0 51 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.754 98.3 60.3 -72.3 -19.7 37.5 71.2 42.9 38 41 A S T << S+ 0 0 29 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.483 86.2 100.1 -83.7 -1.6 37.2 72.2 39.2 39 42 A L X - 0 0 5 -3,-1.3 3,-1.6 -4,-0.1 523,-0.1 -0.752 66.5-148.8 -92.7 123.8 35.5 68.9 38.5 40 43 A P T 3 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 522,-0.1 0.449 89.7 74.6 -66.4 1.4 31.7 68.8 38.2 41 44 A I T 3 S+ 0 0 0 -5,-0.2 2,-0.5 520,-0.1 -23,-0.1 0.537 79.1 81.4 -94.5 -4.8 31.7 65.3 39.6 42 45 A V < + 0 0 23 -3,-1.6 3,-0.2 -6,-0.2 -17,-0.1 -0.889 44.5 171.3-106.3 125.3 32.4 66.2 43.2 43 46 A D S S+ 0 0 82 -19,-0.6 2,-0.6 -2,-0.5 -18,-0.2 0.913 74.6 29.9 -91.9 -62.9 29.5 67.4 45.4 44 47 A D E S-c 25 0A 70 -20,-3.4 -18,-2.4 2,-0.0 2,-0.7 -0.887 71.0-166.1-103.2 120.3 31.1 67.5 48.9 45 48 A L E -c 26 0A 47 -2,-0.6 2,-0.9 -20,-0.2 -18,-0.2 -0.880 0.9-166.4-111.5 105.5 34.8 68.3 48.9 46 49 A V E -c 27 0A 42 -20,-2.3 -18,-1.8 -2,-0.7 2,-0.2 -0.758 8.9-159.6 -92.8 99.6 36.5 67.6 52.3 47 50 A V E +c 28 0A 69 -2,-0.9 2,-0.3 -20,-0.2 -18,-0.2 -0.572 22.1 158.4 -79.3 141.6 40.0 69.2 52.3 48 51 A A - 0 0 21 -20,-2.2 3,-0.1 -2,-0.2 -2,-0.0 -0.974 49.5-134.5-163.5 147.2 42.5 67.8 54.8 49 52 A E S S+ 0 0 157 -2,-0.3 2,-0.3 -20,-0.2 -1,-0.1 0.938 102.2 27.2 -65.3 -46.9 46.2 67.5 55.6 50 53 A E - 0 0 127 -3,-0.1 3,-0.3 -22,-0.1 -1,-0.1 -0.854 69.4-143.4-115.9 151.9 45.7 63.8 56.5 51 54 A X S S+ 0 0 9 -2,-0.3 19,-0.1 19,-0.2 20,-0.1 0.359 70.6 111.8 -94.0 2.5 43.1 61.4 55.2 52 55 A T + 0 0 84 1,-0.2 2,-0.9 18,-0.1 -1,-0.2 0.418 41.3 105.6 -59.2 4.4 42.8 59.6 58.5 53 56 A S > + 0 0 47 -3,-0.3 2,-2.4 1,-0.2 3,-0.7 -0.041 37.4 146.1 -78.6 37.1 39.3 61.1 58.9 54 57 A I T 3 + 0 0 24 -2,-0.9 27,-1.2 1,-0.3 26,-0.8 -0.184 39.3 97.3 -71.0 47.6 37.9 57.6 58.1 55 58 A L T 3 + 0 0 109 -2,-2.4 -1,-0.3 25,-0.2 2,-0.1 0.146 50.5 153.1-113.3 8.9 34.9 58.1 60.4 56 59 A N < - 0 0 6 -3,-0.7 26,-0.7 25,-0.1 5,-0.2 -0.170 22.3-177.0 -44.6 102.9 33.0 59.0 57.2 57 60 A D + 0 0 82 24,-0.2 2,-1.1 -2,-0.1 25,-0.2 0.366 56.1 37.5 -80.1-141.1 29.5 58.1 58.3 58 61 A D S S+ 0 0 107 23,-0.1 -1,-0.1 24,-0.1 -2,-0.1 0.077 109.5 63.2 33.4 -70.4 26.5 58.3 56.0 59 62 A G S S- 0 0 0 -2,-1.1 23,-0.8 1,-0.1 2,-0.5 -0.089 85.1-106.1 -80.7 175.5 28.3 57.2 52.9 60 63 A I B -b 2 0A 7 -59,-3.4 -57,-1.8 22,-0.2 -1,-0.1 -0.882 25.6-147.1 -99.3 123.7 30.1 54.2 51.6 61 64 A V - 0 0 8 -2,-0.5 -56,-0.2 -59,-0.2 -1,-0.1 0.765 14.4-160.2 -66.6 -32.3 33.9 54.6 51.5 62 65 A V - 0 0 4 -58,-0.1 -57,-0.2 215,-0.0 23,-0.1 0.930 16.8-138.4 48.0 92.9 35.0 52.6 48.5 63 66 A P + 0 0 10 0, 0.0 189,-0.5 0, 0.0 2,-0.2 -0.229 25.0 174.3 -79.6 165.6 38.7 51.8 48.8 64 67 A H B > -d 252 0B 5 187,-0.1 3,-1.2 189,-0.0 4,-0.3 -0.834 52.5 -60.3-152.4-171.8 41.5 51.8 46.2 65 68 A G T 3 S+ 0 0 30 187,-0.5 4,-0.1 -2,-0.2 -57,-0.1 0.347 123.9 54.3 -66.4 8.6 45.3 51.5 45.9 66 69 A S T 3> S+ 0 0 22 -59,-0.1 4,-1.8 2,-0.1 3,-0.3 0.635 80.1 89.0-112.8 -20.4 46.2 54.4 48.2 67 70 A F H <> S+ 0 0 5 -3,-1.2 4,-1.8 1,-0.2 -2,-0.1 0.789 91.8 42.7 -49.5 -39.7 44.2 53.5 51.3 68 71 A V H 4 S+ 0 0 51 -4,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.846 114.1 51.6 -78.5 -31.4 46.9 51.5 53.0 69 72 A A H 4 S+ 0 0 96 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.737 120.9 35.0 -74.6 -21.2 49.6 54.0 52.1 70 73 A Y H < S+ 0 0 84 -4,-1.8 2,-0.3 1,-0.3 -19,-0.2 0.638 133.8 22.4-101.9 -23.8 47.4 56.7 53.6 71 74 A L S < S- 0 0 9 -4,-1.8 -1,-0.3 -5,-0.3 5,-0.0 -0.995 87.7-110.6-144.8 137.1 46.0 54.6 56.4 72 75 A G > - 0 0 35 -2,-0.3 4,-1.3 -3,-0.1 5,-0.1 -0.085 28.9-113.0 -61.7 170.5 47.4 51.5 58.0 73 76 A I H > S+ 0 0 37 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.836 116.4 56.1 -71.0 -34.1 45.7 48.1 57.5 74 77 A E H > S+ 0 0 128 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.953 104.7 49.5 -60.1 -57.0 44.8 48.1 61.2 75 78 A A H 4 S+ 0 0 31 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.884 112.3 49.2 -52.2 -43.8 42.9 51.4 61.1 76 79 A I H >< S+ 0 0 4 -4,-1.3 3,-1.0 2,-0.2 -1,-0.2 0.908 108.7 49.9 -66.4 -46.5 40.9 50.3 58.1 77 80 A E H 3< S+ 0 0 67 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.791 121.7 36.3 -65.1 -25.6 39.8 46.9 59.5 78 81 A K T 3< S+ 0 0 159 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.277 92.9 131.7-107.1 7.3 38.7 48.6 62.7 79 82 A A < - 0 0 12 -3,-1.0 -24,-0.1 -5,-0.2 -3,-0.1 -0.190 55.5-141.1 -59.7 153.3 37.5 51.7 60.9 80 83 A K + 0 0 131 -26,-0.8 -25,-0.2 -23,-0.0 -1,-0.1 0.789 68.9 101.3 -85.4 -32.8 34.0 53.1 61.7 81 84 A A S S- 0 0 2 -27,-1.2 -24,-0.2 1,-0.1 -21,-0.1 -0.030 81.4-112.6 -54.8 157.5 33.0 54.0 58.2 82 85 A R - 0 0 114 -23,-0.8 213,-1.4 -26,-0.7 -22,-0.2 0.868 45.2-166.4 -61.2 -48.5 30.7 51.9 56.0 83 86 A F - 0 0 0 -24,-0.3 212,-1.8 211,-0.2 2,-0.2 0.868 19.9-106.6 61.2 124.0 33.1 50.7 53.2 84 87 A F B S-E 294 0C 7 210,-0.2 210,-0.2 1,-0.1 147,-0.1 -0.525 82.0 -0.7 -80.3 139.5 32.3 49.0 49.9 85 88 A G S S- 0 0 12 208,-3.6 209,-0.2 -2,-0.2 -1,-0.1 0.947 113.9 -45.7 49.5 102.7 33.0 45.2 49.3 86 89 A N - 0 0 0 208,-0.3 209,-0.1 1,-0.1 207,-0.0 -0.138 53.7-158.4 43.4-146.9 34.5 43.2 52.2 87 90 A R S S+ 0 0 27 207,-0.1 4,-0.2 -24,-0.0 -1,-0.1 0.071 80.5 72.9 163.6 -25.0 37.4 45.1 53.7 88 91 A R S > S+ 0 0 82 1,-0.2 3,-0.7 2,-0.1 4,-0.2 0.692 92.4 64.1 -81.6 -18.3 39.3 42.3 55.4 89 92 A F G > S+ 0 0 7 1,-0.2 3,-2.9 2,-0.1 4,-0.3 0.853 79.5 79.9 -70.5 -38.9 40.3 41.4 51.8 90 93 A L G > S+ 0 0 14 1,-0.3 3,-0.7 2,-0.2 160,-0.2 0.717 88.6 57.0 -43.0 -28.5 42.2 44.6 51.2 91 94 A K G X S+ 0 0 39 -3,-0.7 3,-1.6 1,-0.2 4,-0.5 0.673 84.2 82.8 -82.0 -15.8 45.2 43.2 53.1 92 95 A W G < S+ 0 0 9 -3,-2.9 -1,-0.2 1,-0.3 10,-0.2 0.571 90.9 48.6 -65.8 -10.6 45.6 40.1 50.9 93 96 A E G < S+ 0 0 36 -3,-0.7 -1,-0.3 -4,-0.3 155,-0.2 0.438 95.3 80.0-105.1 -2.9 47.6 42.0 48.2 94 97 A T S < S+ 0 0 51 -3,-1.6 2,-0.3 -4,-0.1 -2,-0.2 0.742 93.8 31.8 -77.8 -27.1 49.9 43.5 50.8 95 98 A T > - 0 0 47 -4,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.932 69.4-124.9-133.7 158.5 52.3 40.6 51.5 96 99 A F H > S+ 0 0 23 -2,-0.3 4,-3.7 2,-0.2 5,-0.4 0.921 110.6 60.1 -61.1 -45.8 53.9 37.6 49.7 97 100 A E H > S+ 0 0 119 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.918 112.8 35.4 -49.1 -53.4 52.5 35.3 52.4 98 101 A L H > S+ 0 0 31 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.900 117.2 53.2 -70.3 -41.8 48.9 36.3 51.7 99 102 A Q H X S+ 0 0 19 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.940 114.6 41.5 -59.1 -48.0 49.4 36.6 48.0 100 103 A D H X S+ 0 0 28 -4,-3.7 4,-3.8 2,-0.2 5,-0.4 0.954 110.4 56.5 -63.8 -53.1 50.9 33.2 47.7 101 104 A K H X S+ 0 0 112 -4,-2.3 4,-2.8 -5,-0.4 -2,-0.2 0.911 113.8 40.4 -45.4 -52.6 48.5 31.5 50.0 102 105 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.938 116.5 47.6 -64.9 -50.4 45.5 32.7 47.9 103 106 A L H X>S+ 0 0 3 -4,-2.3 5,-1.9 -5,-0.2 4,-0.5 0.892 116.1 45.2 -60.1 -39.9 47.2 32.0 44.5 104 107 A E H ><5S+ 0 0 109 -4,-3.8 3,-1.7 1,-0.2 -2,-0.2 0.954 110.8 54.4 -67.6 -46.6 48.3 28.5 45.6 105 108 A G H 3<5S+ 0 0 48 -4,-2.8 -1,-0.2 -5,-0.4 -2,-0.2 0.740 110.0 47.1 -58.5 -25.2 44.8 27.9 47.1 106 109 A A H 3<5S- 0 0 14 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.513 111.5-120.2 -94.6 -6.2 43.2 28.8 43.8 107 110 A G T <<5 + 0 0 57 -3,-1.7 -3,-0.2 -4,-0.5 -2,-0.1 0.635 58.3 155.3 77.6 14.6 45.6 26.6 41.8 108 111 A I < - 0 0 2 -5,-1.9 -1,-0.3 -6,-0.2 2,-0.1 -0.591 47.9-115.3 -79.5 130.8 46.9 29.5 39.8 109 112 A P - 0 0 48 0, 0.0 136,-4.0 0, 0.0 2,-0.3 -0.436 37.3-165.6 -64.5 132.0 50.4 29.2 38.3 110 113 A R B -f 245 0D 69 134,-0.3 136,-0.2 -2,-0.1 2,-0.1 -0.823 30.1 -90.7-119.9 160.0 52.8 31.7 39.9 111 114 A V - 0 0 4 134,-2.6 2,-0.1 -2,-0.3 37,-0.0 -0.478 54.9-107.6 -64.4 138.9 56.2 32.9 38.9 112 115 A E - 0 0 116 -2,-0.1 35,-1.3 1,-0.1 2,-0.3 -0.398 27.7-125.1 -71.0 145.1 58.8 30.7 40.6 113 116 A V B -L 146 0E 82 33,-0.2 2,-0.5 -2,-0.1 33,-0.2 -0.641 21.7-151.9 -89.0 146.7 60.8 32.1 43.6 114 117 A V - 0 0 22 31,-3.6 31,-0.3 -2,-0.3 4,-0.1 -0.961 10.1-166.8-129.9 120.4 64.6 32.0 43.4 115 118 A E - 0 0 116 -2,-0.5 29,-0.0 1,-0.1 -2,-0.0 -0.876 63.6 -63.9-100.8 134.3 67.0 31.9 46.4 116 119 A P S S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 22,-0.0 0.221 101.3 110.5 -19.2 81.2 70.6 32.6 45.4 117 120 A E + 0 0 145 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.254 48.2 154.0-158.5 45.3 71.1 29.6 43.1 118 121 A D - 0 0 49 18,-0.1 6,-0.1 -4,-0.1 18,-0.1 0.722 53.9-118.6 -52.9-143.2 71.4 31.5 39.9 119 122 A A - 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0 0 10 -8,-0.1 -8,-0.2 -7,-0.1 -4,-0.1 0.827 26.4-124.1 72.5 114.1 29.9 50.7 16.2 864 289 C S > - 0 0 50 -260,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.171 29.0-100.4 -79.4 178.9 32.5 47.8 16.1 865 290 C X H > S+ 0 0 13 -17,-0.5 4,-2.0 2,-0.2 5,-0.1 0.839 124.0 52.8 -70.0 -35.3 33.4 45.6 13.2 866 291 C G H > S+ 0 0 2 -18,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.845 111.9 45.9 -68.0 -33.8 31.3 42.8 14.6 867 292 C R H > S+ 0 0 45 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.821 108.1 58.1 -77.6 -29.3 28.4 45.2 14.8 868 293 C R H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.907 104.9 49.6 -65.4 -42.4 29.1 46.4 11.3 869 294 C I H X S+ 0 0 6 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.894 113.1 48.0 -61.6 -40.0 28.7 42.9 9.9 870 295 C A H X S+ 0 0 4 -4,-1.3 4,-2.6 1,-0.2 -2,-0.2 0.875 109.3 51.2 -71.3 -37.6 25.4 42.6 11.8 871 296 C R H X S+ 0 0 23 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.847 106.7 55.5 -68.0 -30.7 24.2 46.0 10.6 872 297 C E H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.911 109.2 48.4 -64.5 -40.9 25.0 44.9 7.0 873 298 C L H X S+ 0 0 1 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.967 111.7 47.3 -63.1 -53.3 22.8 41.9 7.6 874 299 C R H X S+ 0 0 87 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.854 110.4 53.1 -59.3 -36.2 19.9 43.9 9.0 875 300 C L H < S+ 0 0 25 -4,-2.4 4,-0.4 1,-0.2 6,-0.3 0.923 109.5 48.8 -65.7 -41.2 20.1 46.4 6.2 876 301 C A H ><>S+ 0 0 0 -4,-2.0 5,-1.7 1,-0.2 3,-1.2 0.913 109.3 53.3 -63.6 -42.4 19.9 43.5 3.7 877 302 C E H ><5S+ 0 0 85 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.957 106.1 51.6 -56.2 -54.0 16.9 42.0 5.5 878 303 C E T 3<5S+ 0 0 113 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.563 117.3 40.7 -63.7 -7.2 15.0 45.2 5.4 879 304 C E T < 5S- 0 0 86 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.161 105.2-118.7-128.5 18.6 15.6 45.4 1.7 880 305 C D T < 5S+ 0 0 154 -3,-1.8 -3,-0.2 -4,-0.2 3,-0.1 0.642 84.9 115.2 55.0 10.7 15.2 41.8 0.6 881 306 C R < + 0 0 62 -5,-1.7 -5,-0.1 -6,-0.3 -4,-0.1 0.814 21.6 119.5 -69.3-100.7 18.8 42.0 -0.6 882 307 C L + 0 0 25 1,-0.2 -1,-0.2 -10,-0.2 -5,-0.1 0.387 63.8 74.2 57.5 -7.4 20.5 39.5 1.8 883 308 C E S > S+ 0 0 134 2,-0.1 3,-0.7 -3,-0.1 -1,-0.2 0.732 88.1 59.6 -99.4 -30.8 21.6 37.5 -1.2 884 309 C E T 3 S+ 0 0 85 1,-0.2 -206,-0.1 -8,-0.1 -1,-0.1 0.596 111.5 40.2 -69.9 -15.2 24.2 40.0 -2.1 885 310 C V T 3 S+ 0 0 0 -208,-0.1 -208,-3.5 -131,-0.1 2,-0.2 0.327 107.5 62.9-118.0 5.4 25.9 39.5 1.3 886 311 C V B < M 676 0N 6 -3,-0.7 -208,-0.3 -210,-0.2 -210,-0.2 -0.727 360.0 360.0-125.5 178.7 25.7 35.7 2.0 887 312 C T 0 0 35 -212,-2.0 -3,-0.0 -213,-1.3 -4,-0.0 -0.779 360.0 360.0-148.8 360.0 27.0 32.5 0.6