==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 29-APR-10 2XD4 . COMPND 2 MOLECULE: PHOSPHORIBOSYLAMINE--GLYCINE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR J.A.BERTRAND,S.CHEN,H.ZALKIN,J.L.SMITH . 421 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 20.0 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 1 0.2 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 . 42 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.4 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 1 3 0 1 0 2 3 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 0 1 1 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 . 2 4 1 4 2 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 1 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 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 1 A M 0 0 39 0, 0.0 25,-2.2 0, 0.0 26,-1.4 0.000 360.0 360.0 360.0 141.6 41.9 40.2 53.0 2 2 A N E -ab 27 63A 10 60,-0.7 62,-1.9 24,-0.2 63,-1.3 -0.868 360.0-160.8 -94.1 135.0 38.4 39.2 54.1 3 3 A V E -ab 28 65A 0 24,-2.8 26,-3.5 -2,-0.4 2,-0.6 -0.953 4.7-154.3-117.6 136.1 35.7 39.9 51.6 4 4 A L E -ab 29 66A 0 61,-2.5 63,-3.4 -2,-0.4 2,-0.4 -0.940 7.3-170.0-112.2 113.9 32.0 40.1 52.4 5 5 A I E -ab 30 67A 2 24,-3.1 26,-1.9 -2,-0.6 2,-0.4 -0.805 13.9-150.5 -93.6 142.3 29.5 39.3 49.7 6 6 A I E +ab 31 68A 0 61,-2.1 63,-1.8 -2,-0.4 2,-0.2 -0.943 49.3 45.4-121.8 140.4 25.9 40.2 50.5 7 7 A G E -a 32 0A 1 24,-1.9 26,-1.3 -2,-0.4 24,-0.1 -0.619 65.8-116.6 118.3 175.5 22.7 38.5 49.3 8 8 A K S S+ 0 0 106 -2,-0.2 -1,-0.1 24,-0.2 29,-0.1 0.343 71.3 89.7-137.6 5.1 21.6 34.9 48.8 9 9 A G S > S- 0 0 14 353,-0.1 4,-1.3 25,-0.0 351,-0.2 -0.093 91.1 -78.9 -99.3-163.2 20.9 34.1 45.1 10 10 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.818 123.9 58.7 -69.3 -31.2 22.9 32.8 42.2 11 11 A R H > S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.894 106.2 48.6 -62.3 -42.0 24.6 36.2 41.5 12 12 A E H > S+ 0 0 3 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.804 108.1 54.5 -72.2 -29.8 26.1 36.1 45.0 13 13 A H H X S+ 0 0 10 -4,-1.3 4,-3.9 2,-0.2 -2,-0.2 0.950 109.4 47.3 -66.2 -48.9 27.3 32.6 44.6 14 14 A T H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.889 113.2 49.9 -58.3 -40.0 29.1 33.6 41.4 15 15 A L H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.964 114.0 43.1 -61.2 -52.1 30.5 36.5 43.4 16 16 A A H X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.897 114.7 52.9 -61.3 -39.7 31.6 34.3 46.3 17 17 A W H X S+ 0 0 54 -4,-3.9 4,-0.7 2,-0.2 -1,-0.2 0.915 114.3 39.8 -57.7 -47.8 32.9 31.8 43.7 18 18 A K H >< S+ 0 0 10 -4,-2.6 3,-0.9 1,-0.2 4,-0.3 0.915 113.2 53.5 -74.0 -43.9 35.0 34.4 41.8 19 19 A A H >< S+ 0 0 0 -4,-3.1 3,-1.4 1,-0.2 6,-0.2 0.852 104.0 58.4 -58.4 -34.2 36.2 36.2 45.0 20 20 A A H 3< S+ 0 0 48 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.760 97.2 59.6 -71.3 -25.1 37.5 32.9 46.3 21 21 A Q T << S+ 0 0 105 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.561 86.4 111.5 -75.1 -8.0 39.7 32.4 43.3 22 22 A S X - 0 0 9 -3,-1.4 3,-0.5 -4,-0.3 -3,-0.0 -0.415 63.8-148.2 -75.7 142.0 41.4 35.7 44.3 23 23 A S T 3 S+ 0 0 113 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.1 0.544 95.0 59.9 -84.9 -6.9 45.0 35.7 45.6 24 24 A L T 3 S+ 0 0 56 1,-0.0 2,-0.5 2,-0.0 -1,-0.2 0.600 87.9 91.0 -91.4 -14.1 44.4 38.7 47.9 25 25 A V < + 0 0 25 -3,-0.5 -23,-0.2 -6,-0.2 3,-0.1 -0.763 39.0 173.1-103.3 119.6 41.7 37.0 49.9 26 26 A E S S+ 0 0 133 -25,-2.2 2,-0.4 -2,-0.5 -24,-0.2 0.870 79.4 15.5 -80.7 -43.0 42.2 35.0 53.2 27 27 A N E -a 2 0A 55 -26,-1.4 -24,-2.8 2,-0.0 2,-0.5 -0.994 59.3-159.1-138.5 140.0 38.5 34.7 53.9 28 28 A V E -a 3 0A 9 -2,-0.4 14,-2.1 -26,-0.2 2,-0.4 -0.970 13.9-167.4-117.9 120.2 35.2 35.1 52.0 29 29 A F E -ac 4 42A 15 -26,-3.5 -24,-3.1 -2,-0.5 2,-0.4 -0.820 4.0-164.0-102.9 143.8 32.0 35.7 53.9 30 30 A A E -ac 5 43A 1 12,-1.5 14,-1.3 -2,-0.4 -24,-0.2 -0.998 18.8-132.5-126.3 131.3 28.5 35.5 52.4 31 31 A A E S-a 6 0A 0 -26,-1.9 -24,-1.9 -2,-0.4 14,-0.1 -0.934 87.0 -22.6-136.1 113.0 25.6 36.9 54.3 32 32 A P E S+a 7 0A 15 0, 0.0 12,-0.9 0, 0.0 -2,-0.2 -0.914 96.3 160.3 -76.8 -26.9 23.4 35.2 54.5 33 33 A G - 0 0 8 -26,-1.3 2,-0.3 10,-0.2 -20,-0.1 -0.543 39.0-102.1 81.7-156.3 24.5 33.2 51.4 34 34 A N > - 0 0 13 -2,-0.2 3,-1.1 -25,-0.1 330,-0.1 -0.945 27.4 -94.7-160.9 176.4 23.0 29.8 50.9 35 35 A D G > S+ 0 0 74 328,-0.6 3,-0.8 -2,-0.3 4,-0.1 0.666 117.1 57.8 -81.7 -16.8 24.2 26.2 51.3 36 36 A G G 3 S+ 0 0 19 1,-0.2 3,-0.3 327,-0.2 -1,-0.3 0.594 102.0 61.7 -78.3 -7.8 25.4 25.5 47.8 37 37 A M G X> S+ 0 0 0 -3,-1.1 4,-2.4 1,-0.2 3,-1.1 0.360 73.6 101.7 -98.0 1.6 27.7 28.4 48.3 38 38 A A T <4 S+ 0 0 60 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.674 73.1 55.2 -78.4 -22.6 29.6 26.9 51.2 39 39 A A T 34 S+ 0 0 107 -3,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.701 119.3 37.0 -76.5 -20.7 32.8 25.8 49.5 40 40 A S T <4 S+ 0 0 24 -3,-1.1 2,-0.4 1,-0.3 -2,-0.2 0.813 124.4 28.2 -96.9 -37.9 33.2 29.3 48.3 41 41 A A < - 0 0 1 -4,-2.4 2,-0.7 -14,-0.1 -1,-0.3 -0.981 68.7-127.8-139.4 123.3 32.0 31.4 51.3 42 42 A Q E -c 29 0A 96 -14,-2.1 -12,-1.5 -2,-0.4 -3,-0.1 -0.577 46.4-126.5 -61.7 110.3 31.8 30.9 55.0 43 43 A L E -c 30 0A 65 -2,-0.7 2,-0.3 -14,-0.2 -12,-0.2 -0.114 21.1-156.8 -64.7 161.7 28.1 31.7 55.5 44 44 A V - 0 0 17 -14,-1.3 2,-1.5 -12,-0.9 -1,-0.0 -0.940 17.1-136.0-147.8 116.6 27.0 34.3 58.0 45 45 A N + 0 0 148 -2,-0.3 2,-0.6 -14,-0.1 -14,-0.1 0.126 66.5 117.7 -73.5 28.8 23.5 34.3 59.4 46 46 A I - 0 0 24 -2,-1.5 -2,-0.1 7,-0.1 2,-0.1 -0.847 60.8-137.6 -95.5 121.2 22.9 38.0 59.0 47 47 A E > - 0 0 89 -2,-0.6 3,-1.1 1,-0.1 7,-0.1 -0.365 20.1-115.8 -73.2 161.2 20.0 38.8 56.7 48 48 A E T 3 S+ 0 0 29 1,-0.3 -1,-0.1 5,-0.1 3,-0.1 0.513 112.0 61.9 -85.5 -6.6 20.6 41.6 54.2 49 49 A S T 3 S+ 0 0 94 1,-0.2 2,-1.9 2,-0.0 -1,-0.3 0.567 83.3 91.1 -83.4 -8.4 17.9 43.9 55.5 50 50 A D X> + 0 0 76 -3,-1.1 4,-2.8 1,-0.2 3,-0.5 -0.364 49.1 162.3 -86.0 58.5 20.0 43.9 58.7 51 51 A H H 3> S+ 0 0 23 -2,-1.9 4,-2.6 1,-0.3 -1,-0.2 0.818 73.8 49.8 -51.1 -34.5 22.1 46.9 57.8 52 52 A A H 3> S+ 0 0 72 -3,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.879 112.2 44.0 -77.0 -40.0 23.2 47.3 61.4 53 53 A G H <> S+ 0 0 19 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.798 115.1 51.5 -73.4 -28.1 24.3 43.7 62.0 54 54 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.952 113.4 43.0 -70.2 -49.5 26.0 43.7 58.6 55 55 A V H X S+ 0 0 16 -4,-2.6 4,-2.7 -5,-0.3 5,-0.2 0.922 117.3 48.1 -58.3 -44.6 27.9 46.9 59.4 56 56 A S H X S+ 0 0 49 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.894 113.2 46.8 -66.7 -41.4 28.6 45.6 62.9 57 57 A F H X S+ 0 0 38 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.980 115.6 44.2 -63.7 -54.7 29.8 42.2 61.6 58 58 A A H <>S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 4,-0.3 0.873 112.7 51.6 -60.1 -43.4 32.0 43.6 58.9 59 59 A K H ><5S+ 0 0 122 -4,-2.7 3,-0.6 -5,-0.3 -1,-0.2 0.902 117.3 39.4 -58.6 -42.8 33.5 46.3 61.1 60 60 A Q H 3<5S+ 0 0 137 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.734 113.9 52.6 -85.0 -22.7 34.4 43.8 63.8 61 61 A N T 3<5S- 0 0 63 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.169 110.1-113.8-102.8 15.4 35.5 40.9 61.5 62 62 A Q T < 5 - 0 0 159 -3,-0.6 2,-0.7 -4,-0.3 -60,-0.7 0.899 42.1-175.6 58.9 49.8 38.0 43.0 59.5 63 63 A V E < -b 2 0A 10 -5,-2.1 25,-0.5 1,-0.2 -1,-0.2 -0.694 9.8-171.3 -80.2 115.2 36.2 43.0 56.2 64 64 A G E S+ 0 0 29 -62,-1.9 2,-0.3 -2,-0.7 -61,-0.2 0.757 72.6 18.5 -78.8 -24.7 38.5 44.7 53.7 65 65 A L E -b 3 0A 0 -63,-1.3 -61,-2.5 22,-0.0 2,-0.5 -0.943 64.2-164.1-152.0 122.7 36.0 44.8 50.9 66 66 A T E -bd 4 89A 0 22,-1.7 24,-3.2 -2,-0.3 2,-0.5 -0.935 5.2-162.7-108.4 130.2 32.2 44.3 50.9 67 67 A I E -bd 5 90A 1 -63,-3.4 -61,-2.1 -2,-0.5 2,-0.7 -0.955 10.1-148.5-112.1 126.0 30.3 43.6 47.7 68 68 A V E -b 6 0A 6 22,-1.3 -61,-0.1 -2,-0.5 -63,-0.1 -0.829 13.5-174.9 -99.8 113.7 26.5 44.2 47.8 69 69 A G + 0 0 1 -63,-1.8 -62,-0.2 -2,-0.7 -1,-0.2 0.952 57.7 53.0 -75.5 -55.2 24.6 41.8 45.6 70 70 A P S > S- 0 0 17 0, 0.0 4,-0.6 0, 0.0 218,-0.1 -0.455 71.4-131.4 -88.5 162.1 20.9 42.8 45.6 71 71 A E H > S+ 0 0 45 2,-0.2 4,-3.8 1,-0.2 5,-0.3 0.737 92.0 69.4 -87.5 -27.6 19.4 46.2 44.9 72 72 A V H > S+ 0 0 61 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.962 100.8 48.8 -60.4 -49.1 17.0 46.8 47.8 73 73 A P H 4>S+ 0 0 6 0, 0.0 5,-3.7 0, 0.0 6,-0.3 0.894 116.5 45.2 -56.7 -35.2 19.8 47.2 50.3 74 74 A L H ><5S+ 0 0 1 -4,-0.6 3,-1.6 3,-0.2 23,-0.2 0.924 111.8 49.8 -71.5 -46.7 21.4 49.6 47.9 75 75 A I H 3<5S+ 0 0 33 -4,-3.8 -1,-0.2 1,-0.3 -3,-0.2 0.882 115.0 46.7 -57.3 -38.5 18.1 51.5 47.2 76 76 A E T 3<5S- 0 0 99 -4,-3.2 -1,-0.3 -5,-0.3 -2,-0.2 0.288 123.9-106.8 -93.3 8.0 17.7 51.7 50.9 77 77 A G T <>5 + 0 0 3 -3,-1.6 4,-1.4 -5,-0.2 -3,-0.2 0.766 61.8 153.4 85.9 30.8 21.3 52.9 51.4 78 78 A L H > S+ 0 0 1 13,-0.4 4,-2.0 -6,-0.3 3,-0.5 0.948 99.3 53.9 -62.7 -52.4 26.3 51.5 51.3 80 80 A D H > S+ 0 0 46 1,-0.3 4,-1.9 12,-0.2 -1,-0.2 0.852 107.3 54.3 -51.4 -38.4 26.0 54.9 53.1 81 81 A E H X S+ 0 0 77 -4,-1.4 4,-1.4 1,-0.2 -1,-0.3 0.898 105.5 50.4 -65.4 -42.5 25.9 53.0 56.4 82 82 A F H <>S+ 0 0 0 -4,-1.4 5,-3.1 -3,-0.5 4,-0.4 0.896 109.3 51.9 -64.7 -38.7 29.1 51.1 55.7 83 83 A E H ><5S+ 0 0 113 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.871 104.5 55.7 -67.2 -38.7 30.9 54.3 54.9 84 84 A K H 3<5S+ 0 0 163 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.854 108.2 50.3 -56.2 -35.3 29.7 55.9 58.1 85 85 A A T 3<5S- 0 0 29 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.553 122.0-111.9 -82.4 -8.0 31.4 52.9 59.8 86 86 A G T < 5 + 0 0 68 -3,-0.9 2,-0.2 -4,-0.4 -3,-0.2 0.636 66.1 153.7 93.1 14.7 34.5 53.6 57.8 87 87 A L < - 0 0 22 -5,-3.1 2,-0.6 -6,-0.2 -1,-0.3 -0.553 48.4-123.3 -93.2 142.5 34.1 50.4 55.9 88 88 A H + 0 0 76 -25,-0.5 -22,-1.7 -2,-0.2 2,-0.3 -0.704 45.1 166.3 -86.3 116.1 35.4 49.8 52.4 89 89 A V E -d 66 0A 8 -2,-0.6 2,-0.6 -24,-0.2 -22,-0.2 -0.984 34.5-138.9-141.9 143.4 32.4 48.8 50.2 90 90 A F E +d 67 0A 5 -24,-3.2 -22,-1.3 -2,-0.3 177,-0.1 -0.878 62.8 69.7-106.9 115.9 31.5 48.4 46.5 91 91 A G S S- 0 0 9 -2,-0.6 175,-0.2 -24,-0.1 174,-0.1 -0.836 79.0 -67.1 157.2 163.8 28.1 49.8 45.4 92 92 A P - 0 0 1 0, 0.0 -13,-0.4 0, 0.0 -12,-0.2 -0.422 43.5-113.1 -77.4 151.0 26.1 53.0 45.0 93 93 A S > - 0 0 30 170,-0.5 4,-3.2 -14,-0.1 3,-0.4 -0.328 39.3-101.0 -66.2 162.2 25.0 55.5 47.6 94 94 A K T 4 S+ 0 0 125 1,-0.3 4,-0.3 2,-0.2 -1,-0.1 0.870 127.6 55.4 -54.5 -37.0 21.3 55.8 48.2 95 95 A A T 4 S+ 0 0 35 1,-0.2 3,-0.5 2,-0.2 -1,-0.3 0.890 112.7 39.8 -63.0 -39.7 21.5 58.9 46.1 96 96 A A T >4 S+ 0 0 0 -3,-0.4 3,-2.6 1,-0.2 -2,-0.2 0.897 104.4 65.2 -79.6 -39.2 23.1 57.0 43.2 97 97 A A T >X S+ 0 0 1 -4,-3.2 4,-2.5 1,-0.3 3,-1.5 0.595 80.3 85.5 -60.0 -7.7 20.9 53.9 43.5 98 98 A I H 3> S+ 0 0 39 -3,-0.5 4,-2.6 -4,-0.3 -1,-0.3 0.787 71.6 75.1 -63.8 -23.7 18.1 56.2 42.5 99 99 A I H <4 S+ 0 0 2 -3,-2.6 185,-0.4 1,-0.2 -1,-0.3 0.781 113.3 22.2 -63.9 -27.0 19.1 55.5 38.9 100 100 A E H <4 S+ 0 0 14 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.688 119.5 63.1-101.5 -29.0 17.5 52.1 39.4 101 101 A G H < S+ 0 0 14 -4,-2.5 2,-0.5 1,-0.2 46,-0.2 0.845 109.3 34.8 -71.3 -37.0 15.2 52.9 42.2 102 102 A S X - 0 0 20 -4,-2.6 4,-1.6 44,-0.1 -1,-0.2 -0.931 61.0-169.2-120.6 108.5 13.0 55.5 40.4 103 103 A K H > S+ 0 0 35 42,-2.3 4,-2.1 -2,-0.5 5,-0.2 0.791 91.3 59.7 -65.8 -28.5 12.4 54.8 36.7 104 104 A Q H > S+ 0 0 63 2,-0.2 4,-3.2 1,-0.2 3,-0.3 0.980 104.6 50.3 -58.2 -53.3 10.9 58.3 36.4 105 105 A F H > S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.869 113.3 45.2 -47.7 -45.4 14.3 59.7 37.6 106 106 A A H X S+ 0 0 5 -4,-1.6 4,-2.0 -8,-0.3 -1,-0.2 0.809 112.7 50.2 -75.5 -30.3 16.2 57.6 35.0 107 107 A K H X S+ 0 0 4 -4,-2.1 4,-2.2 -3,-0.3 -2,-0.2 0.950 113.8 45.8 -69.5 -48.0 13.8 58.5 32.2 108 108 A D H X S+ 0 0 61 -4,-3.2 4,-3.5 2,-0.2 -2,-0.2 0.876 112.2 50.7 -60.8 -43.4 14.1 62.2 33.0 109 109 A L H X S+ 0 0 6 -4,-2.3 4,-2.9 -5,-0.3 -1,-0.2 0.937 110.7 48.1 -62.3 -50.1 17.9 62.0 33.3 110 110 A M H <>S+ 0 0 2 -4,-2.0 5,-3.5 2,-0.2 -1,-0.2 0.899 114.8 47.5 -56.6 -42.7 18.3 60.2 29.9 111 111 A K H ><5S+ 0 0 142 -4,-2.2 3,-1.6 3,-0.2 -2,-0.2 0.969 113.9 46.1 -58.7 -57.5 15.9 62.9 28.5 112 112 A K H 3<5S+ 0 0 138 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.845 120.7 39.5 -53.3 -38.9 17.9 65.7 30.1 113 113 A Y T 3<5S- 0 0 59 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.021 111.9-114.2-109.0 24.2 21.2 64.3 29.0 114 114 A D T < 5 + 0 0 140 -3,-1.6 -3,-0.2 1,-0.2 -4,-0.1 0.872 56.9 159.2 46.0 52.2 20.2 63.1 25.5 115 115 A I < - 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