==== 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 10-JUL-07 2QK4 . COMPND 2 MOLECULE: TRIFUNCTIONAL PURINE BIOSYNTHETIC PROTEIN ADENOSI . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.LEHTIO,M.WELIN,C.H.ARROWSMITH,H.BERGLUND,R.BUSAM,R.COLLINS . 844 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35200.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 596 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 170 20.1 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 67 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.3 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 5 1 4 2 0 2 9 5 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 1 1 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 PARALLEL BRIDGES PER LADDER . 13 0 4 8 4 0 2 2 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 2 2 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 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 0 A S 0 0 102 0, 0.0 3,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 69.2 9.0 15.9 76.7 2 1 A M + 0 0 140 1,-0.2 25,-0.2 26,-0.1 26,-0.1 -0.015 360.0 33.8 -73.4 168.1 6.6 18.0 74.5 3 2 A A S S+ 0 0 59 23,-0.5 25,-0.2 1,-0.2 2,-0.2 0.815 72.5 164.6 56.5 36.6 3.7 16.9 72.2 4 3 A A E -a 28 0A 4 23,-2.8 25,-1.9 -3,-0.3 26,-1.8 -0.552 27.9-145.5 -77.5 147.2 2.5 13.9 74.2 5 4 A R E -a 30 0A 76 62,-0.5 64,-3.1 -2,-0.2 65,-0.6 -0.961 18.4-170.2-114.1 134.0 -1.0 12.4 73.6 6 5 A V E -ab 31 70A 0 24,-2.6 26,-2.8 -2,-0.5 2,-0.5 -0.901 10.7-145.5-127.3 149.0 -2.8 11.0 76.5 7 6 A L E -ab 32 71A 0 63,-2.0 65,-3.2 -2,-0.3 2,-0.5 -0.967 7.2-164.0-122.3 128.9 -6.0 8.9 76.8 8 7 A I E -ab 33 72A 0 24,-3.6 26,-3.3 -2,-0.5 2,-0.5 -0.922 12.3-143.2-108.5 131.5 -8.6 9.1 79.5 9 8 A I E +ab 34 73A 0 63,-2.6 65,-1.8 -2,-0.5 2,-0.2 -0.802 59.5 45.1 -91.4 121.3 -11.2 6.3 80.0 10 9 A G E -a 35 0A 5 24,-2.9 26,-1.9 -2,-0.5 -2,-0.1 -0.725 62.1-123.7 136.8 178.7 -14.8 7.4 81.1 11 10 A S + 0 0 61 -2,-0.2 2,-0.1 24,-0.2 -1,-0.1 0.227 68.6 85.6-147.9 17.3 -17.5 9.9 80.4 12 11 A G S > S- 0 0 15 352,-0.1 4,-2.1 25,-0.1 3,-0.2 -0.365 91.6 -75.9-112.0-165.5 -18.5 11.9 83.5 13 12 A G H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.839 125.7 58.9 -63.6 -36.4 -17.3 15.0 85.4 14 13 A R H > S+ 0 0 28 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.938 107.5 47.2 -55.7 -47.4 -14.3 13.3 86.8 15 14 A E H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.902 109.4 52.3 -67.2 -39.7 -13.1 12.6 83.3 16 15 A H H X S+ 0 0 20 -4,-2.1 4,-3.2 346,-0.4 5,-0.3 0.976 110.9 49.5 -55.3 -47.8 -13.8 16.2 82.2 17 16 A T H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.3 -2,-0.2 0.913 110.6 48.2 -59.6 -46.4 -11.7 17.3 85.2 18 17 A L H X S+ 0 0 7 -4,-2.6 4,-2.6 2,-0.2 -1,-0.3 0.903 114.5 47.5 -59.7 -37.4 -8.8 15.0 84.4 19 18 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.951 112.3 47.6 -71.3 -49.3 -8.9 16.1 80.7 20 19 A W H < S+ 0 0 52 -4,-3.2 4,-0.4 1,-0.2 -1,-0.2 0.907 114.6 47.8 -53.6 -45.2 -9.0 19.9 81.6 21 20 A K H >< S+ 0 0 14 -4,-2.6 3,-1.3 -5,-0.3 4,-0.4 0.940 112.5 46.1 -69.6 -48.5 -6.2 19.5 84.0 22 21 A L H >< S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.847 104.3 63.6 -56.8 -39.7 -3.9 17.4 81.7 23 22 A A T 3< S+ 0 0 20 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.625 93.6 64.4 -61.5 -16.4 -4.6 19.9 78.8 24 23 A Q T < S+ 0 0 95 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.677 78.9 102.8 -81.4 -20.4 -2.9 22.6 80.9 25 24 A S X - 0 0 3 -3,-1.7 3,-1.1 -4,-0.4 -3,-0.0 -0.420 69.7-144.4 -65.1 137.2 0.4 20.7 80.8 26 25 A H T 3 S+ 0 0 161 1,-0.2 -23,-0.5 -2,-0.1 -1,-0.2 0.708 100.1 65.0 -71.8 -19.5 2.9 22.3 78.3 27 26 A H T 3 S+ 0 0 35 -25,-0.2 -23,-2.8 -24,-0.1 2,-0.6 0.572 89.8 81.8 -72.2 -10.9 4.0 18.7 77.7 28 27 A V E < +a 4 0A 4 -3,-1.1 -23,-0.2 -25,-0.2 3,-0.1 -0.844 39.7 169.2-112.4 121.6 0.7 17.7 76.2 29 28 A K E S+ 0 0 106 -25,-1.9 2,-0.4 -2,-0.6 -24,-0.2 0.804 73.8 22.0 -91.0 -26.3 -0.6 18.3 72.7 30 29 A Q E -a 5 0A 47 -26,-1.8 -24,-2.6 -8,-0.0 2,-0.5 -0.991 51.4-168.3-148.8 131.8 -3.7 16.1 72.8 31 30 A V E -ac 6 46A 0 14,-2.9 16,-2.4 -2,-0.4 2,-0.4 -0.990 13.5-166.7-117.1 128.5 -6.1 14.6 75.3 32 31 A L E -ac 7 47A 8 -26,-2.8 -24,-3.6 -2,-0.5 2,-0.4 -0.914 3.4-159.1-111.3 137.1 -8.5 11.9 74.1 33 32 A V E -ac 8 48A 0 14,-2.2 16,-2.1 -2,-0.4 -24,-0.2 -0.960 20.2-121.9-121.5 132.1 -11.4 10.8 76.3 34 33 A A E S-a 9 0A 0 -26,-3.3 -24,-2.9 -2,-0.4 16,-0.1 -0.915 93.2 -22.9-121.2 106.5 -13.2 7.5 75.7 35 34 A P E S+a 10 0A 72 0, 0.0 -1,-0.2 0, 0.0 -24,-0.2 -0.995 96.7 174.5 -88.5 -7.6 -16.1 8.0 75.1 36 35 A G - 0 0 10 -26,-1.9 2,-0.2 12,-0.1 12,-0.1 -0.204 24.1-110.6 77.3-173.0 -16.2 11.4 76.8 37 36 A N > - 0 0 14 -25,-0.1 3,-1.2 327,-0.1 4,-0.3 -0.767 41.1 -71.6-144.7-164.0 -19.1 13.9 76.8 38 37 A A G > S+ 0 0 14 327,-1.2 3,-0.6 1,-0.3 4,-0.4 0.775 125.7 60.3 -71.7 -24.6 -20.1 17.2 75.4 39 38 A G G 3 S+ 0 0 19 1,-0.2 -1,-0.3 324,-0.2 3,-0.1 0.713 114.0 35.4 -70.5 -18.6 -17.7 19.0 77.7 40 39 A T G < S+ 0 0 0 -3,-1.2 3,-0.2 1,-0.1 -1,-0.2 0.228 96.5 88.5-117.1 7.9 -14.7 17.2 76.2 41 40 A A S < S+ 0 0 28 -3,-0.6 7,-0.5 -4,-0.3 2,-0.3 0.832 93.6 24.5 -76.8 -30.8 -15.9 16.9 72.5 42 41 A C B S+D 47 0A 118 -4,-0.4 -1,-0.2 5,-0.2 2,-0.2 -0.765 80.0 116.8-157.2 86.9 -14.6 20.0 71.0 43 42 A S S S- 0 0 76 3,-1.1 -3,-0.0 -2,-0.3 -4,-0.0 -0.658 71.3 -93.0-144.5-178.0 -11.6 21.9 72.4 44 43 A E S S+ 0 0 202 -2,-0.2 -1,-0.0 1,-0.1 3,-0.0 0.899 122.1 6.8 -78.2 -38.6 -8.1 23.0 71.4 45 44 A K S S+ 0 0 61 -15,-0.1 -14,-2.9 1,-0.0 2,-0.4 0.633 117.3 77.9-112.8 -20.1 -6.5 19.9 72.9 46 45 A I E +c 31 0A 10 -16,-0.2 -3,-1.1 -14,-0.1 2,-0.3 -0.755 47.3 154.1-104.9 132.7 -9.4 17.7 74.1 47 46 A S E -cD 32 42A 40 -16,-2.4 -14,-2.2 -2,-0.4 2,-0.2 -0.967 34.4-113.1-149.1 166.2 -11.5 15.4 71.9 48 47 A N E -c 33 0A 54 -7,-0.5 2,-0.4 -2,-0.3 -14,-0.2 -0.620 21.4-163.5 -95.9 157.7 -13.6 12.2 72.2 49 48 A T - 0 0 19 -16,-2.1 -2,-0.0 -2,-0.2 -17,-0.0 -1.000 21.3-146.1-140.0 143.3 -13.1 8.8 70.8 50 49 A A + 0 0 77 -2,-0.4 3,-0.1 -16,-0.1 -16,-0.1 0.303 49.8 142.8 -87.3 12.6 -15.4 5.8 70.3 51 50 A I - 0 0 7 1,-0.1 2,-0.2 2,-0.1 -2,-0.1 -0.189 62.3-104.0 -47.3 134.4 -12.6 3.2 70.9 52 51 A S - 0 0 45 1,-0.2 -1,-0.1 3,-0.1 7,-0.1 -0.447 30.3-166.7 -63.2 134.3 -13.9 0.3 72.8 53 52 A I S S+ 0 0 47 -2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.479 84.5 52.8-102.6 -3.0 -12.8 0.4 76.5 54 53 A S S S+ 0 0 103 1,-0.2 2,-1.1 2,-0.0 3,-0.1 0.660 92.8 72.2-105.6 -18.6 -13.8 -3.1 77.3 55 54 A D > - 0 0 50 1,-0.2 4,-2.2 2,-0.1 -1,-0.2 -0.809 65.6-173.4 -93.1 97.8 -12.0 -4.9 74.5 56 55 A H H > S+ 0 0 23 -2,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.780 77.8 58.8 -70.8 -25.4 -8.4 -4.5 75.8 57 56 A T H > S+ 0 0 86 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.964 109.9 42.4 -64.5 -50.3 -6.8 -5.9 72.6 58 57 A A H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.914 112.9 54.2 -63.0 -40.4 -8.4 -3.2 70.4 59 58 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.915 109.2 47.9 -58.4 -43.1 -7.6 -0.5 73.0 60 59 A A H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.926 110.9 50.4 -64.7 -43.1 -3.9 -1.5 73.0 61 60 A Q H X S+ 0 0 60 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.934 112.0 48.7 -61.8 -41.7 -3.8 -1.5 69.2 62 61 A F H X S+ 0 0 5 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.941 109.4 52.0 -62.8 -48.3 -5.4 2.0 69.2 63 62 A C H X>S+ 0 0 1 -4,-2.9 5,-2.6 -5,-0.2 4,-0.5 0.934 113.0 44.1 -51.5 -49.4 -3.0 3.3 71.8 64 63 A K H ><5S+ 0 0 121 -4,-2.6 3,-0.7 3,-0.2 -2,-0.2 0.908 112.1 51.4 -67.1 -43.6 0.1 2.1 69.8 65 64 A E H 3<5S+ 0 0 116 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.913 117.0 39.9 -59.6 -41.2 -1.2 3.3 66.4 66 65 A K H 3<5S- 0 0 65 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.512 109.3-125.4 -85.3 -1.9 -1.9 6.8 67.9 67 66 A K T <<5 - 0 0 166 -3,-0.7 -62,-0.5 -4,-0.5 2,-0.3 0.912 37.5-173.0 56.4 45.8 1.3 6.7 69.9 68 67 A I < - 0 0 17 -5,-2.6 25,-0.2 -6,-0.2 -62,-0.2 -0.537 18.8-148.2 -65.9 130.2 -0.6 7.4 73.2 69 68 A E - 0 0 65 -64,-3.1 24,-0.4 1,-0.3 2,-0.3 0.920 69.2 -22.5 -68.3 -48.7 1.9 8.0 76.0 70 69 A F E -b 6 0A 0 -65,-0.6 -63,-2.0 22,-0.1 2,-0.4 -0.988 58.1-119.5-158.8 164.2 -0.3 6.5 78.7 71 70 A V E -be 7 94A 0 22,-1.7 24,-3.8 -2,-0.3 2,-0.5 -0.876 17.5-157.2-108.7 139.9 -3.8 5.8 79.7 72 71 A V E -be 8 95A 4 -65,-3.2 -63,-2.6 -2,-0.4 2,-0.7 -0.979 12.4-143.5-113.0 125.4 -5.6 7.2 82.6 73 72 A V E -b 9 0A 12 22,-1.1 -63,-0.1 -2,-0.5 -65,-0.1 -0.759 15.8-176.8 -94.8 113.3 -8.6 5.3 84.1 74 73 A G + 0 0 1 -65,-1.8 212,-0.2 -2,-0.7 -64,-0.2 0.996 64.2 42.4 -60.1 -72.1 -11.6 7.3 85.4 75 74 A P S S- 0 0 34 0, 0.0 4,-0.5 0, 0.0 -66,-0.1 -0.297 76.9-121.6 -84.1 168.4 -14.0 4.7 86.8 76 75 A E S >> S+ 0 0 22 1,-0.2 4,-2.0 2,-0.1 3,-0.6 0.821 94.5 76.2 -76.8 -34.7 -13.4 1.6 88.9 77 76 A A H 3> S+ 0 0 77 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.914 94.8 47.4 -48.8 -53.3 -15.0 -1.1 86.5 78 77 A P H 34>S+ 0 0 13 0, 0.0 5,-2.3 0, 0.0 -1,-0.2 0.853 109.1 55.7 -62.7 -28.1 -12.1 -1.3 84.0 79 78 A L H X45S+ 0 0 2 -3,-0.6 3,-1.9 -4,-0.5 5,-0.2 0.972 109.4 45.3 -64.2 -48.7 -9.5 -1.5 86.8 80 79 A A H 3<5S+ 0 0 47 -4,-2.0 -1,-0.2 1,-0.3 -3,-0.1 0.705 107.2 61.9 -67.4 -18.8 -11.4 -4.6 88.2 81 80 A A T 3<5S- 0 0 65 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.430 120.8-106.4 -85.5 0.5 -11.6 -5.9 84.6 82 81 A G T <>5 + 0 0 12 -3,-1.9 4,-2.8 -4,-0.2 5,-0.3 0.601 67.8 148.3 90.3 15.9 -7.8 -6.1 84.3 83 82 A I H > S+ 0 0 1 13,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.946 113.7 45.6 -65.1 -52.3 -3.8 -2.2 83.5 85 84 A G H > S+ 0 0 31 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.899 116.8 46.4 -61.0 -42.2 -2.4 -5.7 83.4 86 85 A N H X S+ 0 0 76 -4,-2.8 4,-0.7 2,-0.2 -1,-0.2 0.877 112.3 47.9 -71.0 -37.9 -3.7 -6.2 79.9 87 86 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.7 -5,-0.3 3,-0.7 0.935 111.5 53.3 -68.5 -38.5 -2.4 -2.9 78.5 88 87 A R H ><5S+ 0 0 116 -4,-2.7 3,-2.1 1,-0.3 -2,-0.2 0.891 104.9 51.4 -62.2 -42.6 1.0 -3.6 80.1 89 88 A S H 3<5S+ 0 0 104 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.683 109.1 53.4 -74.5 -10.2 1.5 -7.0 78.6 90 89 A A T <<5S- 0 0 28 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.334 124.9-105.8 -97.2 6.6 0.7 -5.3 75.3 91 90 A G T < 5S+ 0 0 65 -3,-2.1 2,-0.5 1,-0.2 -3,-0.2 0.719 78.8 129.4 81.5 20.7 3.4 -2.6 76.0 92 91 A V < - 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0 0 15 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 -0.886 59.4-168.0-137.4 106.4 -31.2 -16.8 52.8 531 107 B K H > S+ 0 0 37 43,-1.5 4,-2.3 -2,-0.4 5,-0.2 0.810 91.5 57.2 -64.3 -27.2 -33.9 -15.3 55.0 532 108 B R H > S+ 0 0 90 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.956 106.8 47.7 -66.5 -50.6 -34.3 -18.6 56.7 533 109 B F H > S+ 0 0 28 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.938 112.4 49.7 -53.7 -49.3 -30.6 -18.6 57.7 534 110 B A H X S+ 0 0 4 -4,-2.4 4,-2.7 -8,-0.5 -1,-0.2 0.922 112.7 46.6 -59.1 -44.5 -30.8 -15.0 59.0 535 111 B K H X S+ 0 0 6 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.873 115.1 46.0 -65.8 -38.8 -33.9 -15.7 61.0 536 112 B E H X S+ 0 0 79 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.906 112.2 51.7 -71.6 -39.7 -32.4 -18.9 62.5 537 113 B F H X S+ 0 0 0 -4,-3.3 4,-1.2 -5,-0.3 -2,-0.2 0.928 108.1 52.1 -59.6 -46.4 -29.2 -17.1 63.2 538 114 B M H ><>S+ 0 0 2 -4,-2.7 5,-2.3 1,-0.2 3,-0.7 0.914 110.2 46.8 -58.1 -47.1 -31.0 -14.3 65.0 539 115 B D H ><5S+ 0 0 94 -4,-1.9 3,-1.1 1,-0.2 -1,-0.2 0.892 106.6 60.6 -61.7 -38.3 -32.9 -16.7 67.3 540 116 B R H 3<5S+ 0 0 118 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.834 116.8 29.6 -59.1 -31.0 -29.6 -18.5 67.9 541 117 B H T <<5S- 0 0 30 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.153 110.7-106.5-121.1 20.9 -28.1 -15.3 69.4 542 118 B G T < 5 + 0 0 51 -3,-1.1 -3,-0.2 -4,-0.3 -4,-0.1 0.819 60.4 158.5 58.9 34.4 -31.0 -13.4 70.9 543 119 B I < - 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0 0 14 -2,-0.4 3,-2.5 -58,-0.2 -58,-0.1 -0.832 52.7 -97.0-157.3 129.6 -33.8 15.3 30.1 832 413 B E T 3 S+ 0 0 172 -60,-0.4 -71,-0.3 1,-0.3 -61,-0.1 -0.170 109.9 10.9 -42.4 115.4 -37.1 14.6 28.2 833 414 B G T 3 S+ 0 0 38 1,-0.2 -1,-0.3 -73,-0.1 -71,-0.1 0.393 83.5 163.9 97.2 -0.8 -39.4 12.5 30.4 834 415 B A < - 0 0 27 -3,-2.5 2,-0.4 -74,-0.1 -1,-0.2 -0.267 18.2-163.8 -55.7 118.9 -37.4 12.9 33.6 835 416 B I B +N 759 0L 55 -76,-2.5 -76,-3.3 -2,-0.1 2,-0.3 -0.885 17.3 155.5-106.7 146.3 -39.5 11.9 36.6 836 417 B Y - 0 0 75 -2,-0.4 2,-0.3 -78,-0.2 -78,-0.1 -0.977 38.1-110.6-162.5 151.9 -38.7 12.8 40.2 837 418 B R - 0 0 1 -80,-0.5 3,-0.3 -185,-0.3 -196,-0.1 -0.648 11.8-162.8 -88.2 140.7 -40.3 13.3 43.6 838 419 B K S S+ 0 0 109 -2,-0.3 -1,-0.1 1,-0.1 -15,-0.1 0.182 82.8 60.1-103.5 16.5 -40.5 16.7 45.3 839 420 B D > + 0 0 26 2,-0.0 3,-2.3 -20,-0.0 4,-0.2 0.178 59.6 151.0-130.5 15.5 -41.2 15.4 48.8 840 421 B I T 3 S+ 0 0 0 -3,-0.3 -186,-0.1 1,-0.3 -84,-0.0 -0.310 76.0 22.2 -47.6 123.4 -38.3 13.2 49.7 841 422 B G T 3> S+ 0 0 0 -188,-0.1 4,-2.7 -186,-0.1 3,-0.4 0.415 79.1 133.5 102.5 -0.7 -38.0 13.5 53.5 842 423 B F H <> S+ 0 0 74 -3,-2.3 4,-2.6 1,-0.2 5,-0.1 0.803 70.9 50.9 -60.1 -31.8 -41.6 14.5 54.3 843 424 B R H > S+ 0 0 99 2,-0.2 4,-2.4 -4,-0.2 -1,-0.2 0.898 111.2 46.7 -74.4 -39.1 -42.1 12.1 57.1 844 425 B A H > S+ 0 0 0 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.902 113.4 50.1 -67.2 -41.1 -38.9 13.1 58.9 845 426 B I H < S+ 0 0 43 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.934 113.0 46.5 -60.2 -42.8 -39.9 16.7 58.4 846 427 B A H >< S+ 0 0 68 -4,-2.6 3,-0.5 -5,-0.2 -2,-0.2 0.864 106.6 60.8 -65.9 -35.2 -43.4 15.8 59.8 847 428 B F H 3< S+ 0 0 105 -4,-2.4 2,-1.6 1,-0.2 -1,-0.2 0.896 94.0 62.5 -55.9 -45.3 -41.7 13.9 62.7 848 429 B L T 3< 0 0 97 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.1 -0.253 360.0 360.0 -84.0 50.3 -39.9 17.0 64.1 849 430 B Q < 0 0 235 -2,-1.6 -2,-0.2 -3,-0.5 -1,-0.2 0.969 360.0 360.0 44.0 360.0 -43.1 18.9 64.9