==== 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 23-APR-10 2XCL . 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) . 17368.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 71.5 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 . 83 19.7 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 . 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 . 37 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.6 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 2 1 0 2 0 1 5 1 1 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 . 3 1 1 4 3 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 . 0 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 X 0 0 52 0, 0.0 25,-3.4 0, 0.0 26,-1.3 0.000 360.0 360.0 360.0 146.8 42.1 40.3 53.1 2 2 A N E -ab 27 63A 20 60,-0.6 62,-1.5 24,-0.2 63,-1.2 -0.914 360.0-162.3-101.9 129.8 38.5 39.3 54.1 3 3 A V E -ab 28 65A 0 24,-3.1 26,-3.4 -2,-0.5 2,-0.5 -0.912 3.7-154.7-111.8 137.9 35.9 40.0 51.5 4 4 A L E -ab 29 66A 0 61,-2.7 63,-4.0 -2,-0.4 2,-0.5 -0.957 5.0-167.9-112.4 127.2 32.2 40.1 52.3 5 5 A I E -ab 30 67A 1 24,-3.1 26,-2.3 -2,-0.5 2,-0.4 -0.961 16.1-147.0-109.6 126.1 29.6 39.3 49.6 6 6 A I E +ab 31 68A 0 61,-3.1 63,-1.7 -2,-0.5 2,-0.3 -0.803 52.1 37.1-102.3 135.4 26.1 40.3 50.6 7 7 A G E -a 32 0A 0 24,-3.3 26,-2.5 -2,-0.4 -2,-0.1 -0.774 65.4-114.8 121.6-168.6 23.0 38.4 49.4 8 8 A K + 0 0 99 -2,-0.3 -1,-0.1 24,-0.2 2,-0.1 0.303 69.2 93.5-158.6 3.6 21.9 34.8 48.8 9 9 A G S > S- 0 0 15 353,-0.1 4,-1.3 25,-0.1 351,-0.2 -0.129 88.5 -82.3-100.3-162.7 21.1 34.2 45.1 10 10 A G H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.845 124.7 58.4 -74.7 -33.9 23.0 33.0 42.1 11 11 A R H > S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.957 108.3 46.8 -58.7 -47.9 24.6 36.3 41.4 12 12 A E H > S+ 0 0 2 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.833 108.9 54.7 -65.6 -28.3 26.1 36.2 44.9 13 13 A H H X S+ 0 0 10 -4,-1.3 4,-3.3 347,-0.3 5,-0.2 0.975 110.0 46.8 -69.3 -49.3 27.3 32.7 44.4 14 14 A T H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.900 112.1 51.2 -52.6 -43.9 29.0 33.7 41.2 15 15 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.951 113.4 43.4 -62.5 -46.7 30.5 36.7 43.1 16 16 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.911 112.7 53.7 -64.7 -41.2 31.8 34.5 46.0 17 17 A W H < S+ 0 0 49 -4,-3.3 4,-0.4 -5,-0.2 -1,-0.2 0.900 113.3 42.4 -58.2 -44.2 33.0 31.9 43.5 18 18 A K H >< S+ 0 0 8 -4,-2.5 3,-1.6 -5,-0.2 4,-0.2 0.927 112.9 51.0 -70.6 -44.6 35.0 34.5 41.6 19 19 A A H >< S+ 0 0 0 -4,-2.8 3,-2.3 1,-0.3 6,-0.2 0.871 100.2 65.5 -61.4 -36.4 36.4 36.3 44.7 20 20 A A T 3< S+ 0 0 47 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.697 95.6 59.1 -58.4 -21.0 37.6 32.9 46.1 21 21 A Q T < S+ 0 0 104 -3,-1.6 -1,-0.3 -4,-0.4 2,-0.2 0.479 80.6 113.8 -87.1 -5.5 40.0 32.8 43.2 22 22 A S X - 0 0 8 -3,-2.3 3,-0.8 -4,-0.2 -3,-0.0 -0.479 61.9-147.6 -73.6 136.3 41.7 36.0 44.2 23 23 A S T 3 S+ 0 0 116 1,-0.2 -1,-0.1 -2,-0.2 -3,-0.0 0.701 99.1 59.6 -70.4 -17.0 45.4 35.8 45.3 24 24 A L T 3 S+ 0 0 58 2,-0.0 2,-0.4 -22,-0.0 -1,-0.2 0.616 88.5 90.3 -82.1 -16.9 44.6 38.7 47.6 25 25 A V < + 0 0 23 -3,-0.8 -23,-0.2 -6,-0.2 3,-0.1 -0.696 37.4 170.7-102.5 131.3 41.8 37.1 49.6 26 26 A E S S+ 0 0 151 -25,-3.4 2,-0.4 -2,-0.4 -24,-0.2 0.846 77.7 18.2 -95.0 -52.4 42.1 35.1 52.8 27 27 A N E -a 2 0A 54 -26,-1.3 -24,-3.1 2,-0.0 2,-0.6 -0.977 58.0-160.9-124.1 132.7 38.5 34.7 53.6 28 28 A V E -a 3 0A 10 -2,-0.4 14,-3.0 -26,-0.2 2,-0.4 -0.952 16.4-167.4-102.2 116.0 35.3 35.2 51.6 29 29 A F E -ac 4 42A 19 -26,-3.4 -24,-3.1 -2,-0.6 2,-0.5 -0.843 4.1-161.8 -97.7 139.7 32.3 35.7 53.8 30 30 A A E -ac 5 43A 0 12,-2.0 14,-2.7 -2,-0.4 -24,-0.2 -0.965 16.6-134.1-122.7 115.4 28.8 35.5 52.3 31 31 A A E S-a 6 0A 0 -26,-2.3 -24,-3.3 -2,-0.5 14,-0.1 -0.935 90.4 -20.1-117.0 118.3 25.9 37.0 54.2 32 32 A P E S+a 7 0A 16 0, 0.0 -1,-0.2 0, 0.0 -24,-0.2 -0.973 97.6 166.9 -81.0 -12.8 23.6 35.2 54.3 33 33 A G - 0 0 7 -26,-2.5 2,-0.3 10,-0.1 -20,-0.1 -0.329 36.1-106.5 73.0-166.9 25.0 33.3 51.3 34 34 A N > - 0 0 19 -25,-0.1 3,-1.6 -22,-0.1 4,-0.1 -0.935 25.1 -97.8-150.0 173.7 23.3 30.0 50.7 35 35 A D G > S+ 0 0 57 328,-0.5 3,-1.2 -2,-0.3 4,-0.2 0.746 116.2 67.7 -70.8 -21.0 24.4 26.3 51.1 36 36 A G G 3 S+ 0 0 13 1,-0.2 3,-0.4 327,-0.2 -1,-0.3 0.750 98.7 55.1 -64.6 -19.6 25.4 26.0 47.5 37 37 A X G X> + 0 0 0 -3,-1.6 3,-1.9 1,-0.2 4,-1.9 0.390 69.1 106.8 -94.2 -2.4 28.2 28.5 48.2 38 38 A A T <4 S+ 0 0 67 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.697 76.9 56.9 -64.9 -18.8 30.0 26.8 51.1 39 39 A A T 34 S+ 0 0 105 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.786 120.0 30.2 -75.5 -27.3 33.0 25.7 48.9 40 40 A S T <4 S+ 0 0 25 -3,-1.9 2,-0.3 1,-0.2 -2,-0.2 0.555 126.7 30.1-107.3 -15.1 33.6 29.3 47.9 41 41 A A < - 0 0 5 -4,-1.9 2,-0.7 -14,-0.1 -12,-0.2 -1.000 68.1-124.8-149.4 142.2 32.4 31.2 51.0 42 42 A Q E -c 29 0A 98 -14,-3.0 -12,-2.0 -2,-0.3 2,-0.1 -0.837 43.1-125.1 -84.1 119.1 32.0 30.9 54.7 43 43 A L E -c 30 0A 65 -2,-0.7 2,-0.6 -14,-0.2 -12,-0.2 -0.405 20.2-157.9 -67.7 136.7 28.4 31.6 55.3 44 44 A V - 0 0 16 -14,-2.7 2,-3.1 2,-0.2 -1,-0.0 -0.961 19.6-130.2-119.7 115.5 27.6 34.3 57.8 45 45 A N + 0 0 151 -2,-0.6 2,-0.4 -14,-0.1 -14,-0.1 -0.301 67.0 114.9 -71.5 68.9 24.2 34.1 59.3 46 46 A I - 0 0 24 -2,-3.1 2,-0.2 -16,-0.2 -2,-0.2 -0.998 62.4-123.5-135.1 139.8 23.1 37.7 58.7 47 47 A E > - 0 0 86 -2,-0.4 3,-1.6 1,-0.1 7,-0.2 -0.577 16.5-126.3 -86.4 143.0 20.3 38.8 56.4 48 48 A E T 3 S+ 0 0 39 1,-0.3 -1,-0.1 -2,-0.2 -42,-0.0 0.704 115.9 56.0 -57.7 -17.3 20.8 41.3 53.5 49 49 A S T 3 S+ 0 0 88 1,-0.2 2,-2.1 2,-0.0 -1,-0.3 0.771 84.7 85.1 -83.6 -27.4 18.0 43.2 55.2 50 50 A D <> + 0 0 78 -3,-1.6 4,-2.4 1,-0.2 5,-0.2 -0.485 54.3 168.8 -77.6 76.6 19.8 43.3 58.6 51 51 A H H > S+ 0 0 32 -2,-2.1 4,-2.9 1,-0.2 5,-0.2 0.869 70.8 51.2 -62.3 -39.0 21.8 46.5 57.8 52 52 A A H > S+ 0 0 75 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.892 112.9 44.5 -70.1 -41.0 23.0 47.1 61.4 53 53 A G H > S+ 0 0 20 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.877 113.0 52.2 -68.3 -38.2 24.3 43.5 61.8 54 54 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 -7,-0.2 5,-0.3 0.962 114.7 41.8 -58.7 -53.4 25.9 43.6 58.4 55 55 A V H X S+ 0 0 20 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.885 116.6 48.0 -60.4 -40.4 27.7 46.8 59.2 56 56 A S H X S+ 0 0 52 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.892 113.2 48.4 -73.4 -36.1 28.6 45.7 62.7 57 57 A F H X S+ 0 0 47 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.936 113.4 44.8 -67.1 -48.4 29.9 42.3 61.5 58 58 A A H ><>S+ 0 0 0 -4,-2.5 5,-1.8 1,-0.2 3,-0.6 0.935 112.9 53.1 -61.9 -42.9 32.0 43.7 58.7 59 59 A K H 3<5S+ 0 0 127 -4,-2.1 3,-0.5 -5,-0.3 -1,-0.2 0.854 116.2 38.1 -58.8 -37.4 33.4 46.4 61.0 60 60 A Q H 3<5S+ 0 0 127 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.518 111.1 58.0 -98.3 -6.7 34.4 43.9 63.7 61 61 A N T <<5S- 0 0 60 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.030 108.8-111.3-115.9 25.4 35.7 41.1 61.4 62 62 A Q T 5 + 0 0 151 -3,-0.5 2,-0.8 1,-0.2 -60,-0.6 0.919 48.2 179.3 53.3 51.2 38.3 43.1 59.6 63 63 A V E < -b 2 0A 10 -5,-1.8 25,-0.5 1,-0.1 -1,-0.2 -0.795 11.8-173.6 -90.3 113.3 36.4 43.0 56.3 64 64 A G E + 0 0 28 -62,-1.5 2,-0.3 -2,-0.8 -61,-0.2 0.598 70.0 21.4 -87.4 -12.4 38.5 45.0 53.8 65 65 A L E -b 3 0A 0 -63,-1.2 -61,-2.7 2,-0.0 2,-0.5 -0.909 62.7-165.1-154.8 127.8 36.0 44.9 50.9 66 66 A T E -bd 4 89A 0 22,-1.7 24,-3.5 -2,-0.3 2,-0.6 -0.950 6.1-161.8-113.3 131.5 32.2 44.4 50.9 67 67 A I E -bd 5 90A 0 -63,-4.0 -61,-3.1 -2,-0.5 2,-0.6 -0.959 9.1-149.8-114.5 120.2 30.4 43.6 47.7 68 68 A V E -b 6 0A 6 22,-1.5 220,-0.3 -2,-0.6 -61,-0.1 -0.783 15.4-179.8 -92.8 122.8 26.7 44.2 47.7 69 69 A G + 0 0 0 -63,-1.7 -62,-0.2 -2,-0.6 -1,-0.2 0.957 54.1 61.0 -83.1 -58.5 24.7 41.9 45.4 70 70 A P S > S- 0 0 7 0, 0.0 4,-0.7 0, 0.0 218,-0.1 -0.307 70.5-132.2 -82.3 160.7 20.9 42.7 45.6 71 71 A E H > S+ 0 0 44 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.821 92.5 67.3 -81.0 -33.5 19.3 46.0 44.7 72 72 A V H > S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 6,-0.2 0.948 101.5 45.7 -63.1 -46.0 17.0 46.6 47.7 73 73 A P H 4>S+ 0 0 3 0, 0.0 5,-3.1 0, 0.0 6,-0.3 0.905 114.7 49.8 -63.4 -31.5 19.7 47.2 50.3 74 74 A L H ><5S+ 0 0 2 -4,-0.7 3,-1.6 1,-0.2 23,-0.3 0.939 111.7 47.7 -66.6 -46.6 21.5 49.4 47.8 75 75 A I H 3<5S+ 0 0 37 -4,-3.1 -1,-0.2 1,-0.3 -3,-0.2 0.828 110.1 53.7 -63.4 -31.4 18.3 51.4 47.2 76 76 A E T 3<5S- 0 0 106 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.323 123.7-103.2 -90.9 9.0 17.8 51.6 51.0 77 77 A G T <>5 + 0 0 2 -3,-1.6 4,-1.8 -5,-0.1 -3,-0.2 0.762 67.5 149.5 85.0 29.3 21.2 53.1 51.5 78 78 A L H > S+ 0 0 1 13,-0.4 4,-2.8 -6,-0.3 5,-0.2 0.935 103.8 51.7 -68.2 -43.2 26.3 51.6 51.2 80 80 A D H > S+ 0 0 57 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.929 109.7 50.7 -54.0 -46.6 26.0 54.9 53.1 81 81 A E H X S+ 0 0 86 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.933 110.8 48.2 -60.5 -46.9 25.7 52.9 56.3 82 82 A F H ><>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 3,-0.6 0.931 113.8 47.1 -55.4 -46.1 28.8 50.9 55.6 83 83 A E H ><5S+ 0 0 112 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.783 102.9 61.5 -73.0 -25.8 30.7 54.1 54.7 84 84 A K H 3<5S+ 0 0 149 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.833 106.4 48.5 -63.3 -31.4 29.5 55.9 57.8 85 85 A A T <<5S- 0 0 31 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.356 122.8-110.9 -90.0 4.9 31.3 53.2 59.7 86 86 A G T < 5 + 0 0 68 -3,-1.2 2,-0.2 1,-0.2 -3,-0.2 0.801 65.9 151.4 72.0 28.0 34.4 53.7 57.6 87 87 A L < - 0 0 21 -5,-2.3 2,-0.6 -6,-0.1 -1,-0.2 -0.646 50.5-118.1 -91.5 153.5 34.1 50.3 55.8 88 88 A H + 0 0 71 -25,-0.5 -22,-1.7 -2,-0.2 2,-0.4 -0.800 46.3 169.4 -94.5 118.5 35.3 49.7 52.2 89 89 A V E -d 66 0A 2 -2,-0.6 2,-0.7 -24,-0.2 -22,-0.2 -0.992 31.2-141.6-143.6 134.1 32.3 48.8 50.2 90 90 A F E +d 67 0A 5 -24,-3.5 -22,-1.5 -2,-0.4 177,-0.1 -0.859 62.6 62.9-100.7 115.6 31.6 48.4 46.5 91 91 A G S S- 0 0 7 -2,-0.7 175,-0.2 -24,-0.1 -2,-0.1 -0.767 82.7 -58.5 150.4 167.3 28.2 49.7 45.3 92 92 A P - 0 0 0 0, 0.0 -13,-0.4 0, 0.0 -12,-0.2 -0.364 43.6-117.5 -80.8 149.4 26.2 52.9 45.0 93 93 A S > - 0 0 32 170,-0.4 4,-2.4 -14,-0.2 3,-0.3 -0.153 40.8 -98.6 -60.7 169.4 25.1 55.3 47.7 94 94 A K T 4 S+ 0 0 120 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.885 126.4 55.0 -64.8 -37.7 21.4 55.7 48.3 95 95 A A T 4 S+ 0 0 38 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.795 113.3 41.1 -61.3 -32.2 21.5 58.8 46.2 96 96 A A T >4 S+ 0 0 0 -3,-0.3 3,-1.9 1,-0.2 -2,-0.2 0.838 102.1 66.8 -88.8 -29.8 23.0 57.0 43.3 97 97 A A T >X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.3 3,-1.6 0.583 79.0 85.7 -69.7 -9.5 21.0 53.8 43.5 98 98 A I H 3> + 0 0 42 -4,-0.5 4,-2.8 1,-0.3 8,-0.3 0.835 69.3 76.5 -59.5 -31.6 18.0 55.9 42.5 99 99 A I H <4 S+ 0 0 1 -3,-1.9 185,-0.3 1,-0.2 -1,-0.3 0.827 114.1 22.7 -53.2 -27.3 19.0 55.3 38.9 100 100 A E H <4 S+ 0 0 11 -3,-1.6 -2,-0.2 -4,-0.2 -1,-0.2 0.757 120.5 60.0 -97.1 -39.5 17.4 51.8 39.5 101 101 A G H < S+ 0 0 15 -4,-2.6 2,-0.5 1,-0.2 46,-0.3 0.775 110.2 39.9 -64.7 -27.5 15.1 52.6 42.4 102 102 A S X - 0 0 18 -4,-2.8 4,-2.3 1,-0.1 3,-0.4 -0.866 59.5-171.5-128.2 100.1 13.1 55.2 40.5 103 103 A K H > S+ 0 0 44 42,-3.2 4,-2.7 -2,-0.5 5,-0.2 0.890 91.4 55.4 -56.5 -39.0 12.2 54.5 36.9 104 104 A Q H > S+ 0 0 56 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.917 106.9 50.9 -59.2 -40.1 10.9 58.0 36.5 105 105 A F H > S+ 0 0 28 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.925 110.8 48.7 -63.2 -44.6 14.2 59.4 37.7 106 106 A A H X S+ 0 0 7 -4,-2.3 4,-2.0 -8,-0.3 -2,-0.2 0.909 111.8 47.7 -62.1 -45.1 16.1 57.2 35.2 107 107 A K H X S+ 0 0 8 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.919 112.9 49.4 -62.7 -42.8 13.8 58.2 32.2 108 108 A D H X S+ 0 0 60 -4,-2.6 4,-3.1 -5,-0.2 -2,-0.2 0.866 108.5 53.3 -65.3 -38.7 14.2 61.9 33.2 109 109 A L H X S+ 0 0 6 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.933 110.8 46.6 -57.6 -46.4 18.0 61.6 33.4 110 110 A X H <>S+ 0 0 3 -4,-2.0 5,-2.5 2,-0.2 4,-0.2 0.914 112.4 49.9 -69.4 -37.5 18.1 60.2 30.0 111 111 A K H ><5S+ 0 0 147 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.978 113.8 45.6 -58.6 -55.8 15.8 62.9 28.7 112 112 A K H 3<5S+ 0 0 134 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.849 120.7 39.0 -56.5 -36.8 17.9 65.6 30.2 113 113 A Y T 3<5S- 0 0 50 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.117 109.3-114.4-108.0 20.4 21.2 64.0 29.0 114 114 A D T < 5 + 0 0 148 -3,-1.5 -3,-0.2 -4,-0.2 -4,-0.1 0.833 57.6 158.1 53.2 36.6 20.1 62.9 25.6 115 115 A I < - 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