==== 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 COMPLEX (HYDROLASE/PRODUCT) 20-MAR-97 1AF2 . COMPND 2 MOLECULE: CYTIDINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.XIANG,C.W.CARTER . 294 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12334.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 12.9 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 0.7 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 . 1 0.3 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 . 10 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 1 2 0 0 0 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 0 0 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 2 0 0 3 0 1 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 2 1 0 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 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 83 0, 0.0 26,-0.2 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 134.4 58.5 43.1 17.9 2 2 A H >> - 0 0 34 24,-0.4 3,-1.3 22,-0.2 4,-0.6 -0.592 360.0-114.0 -69.2 137.6 56.9 46.4 17.0 3 3 A P T >4 S+ 0 0 82 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.732 110.6 67.4 -48.5 -29.6 55.0 47.6 20.2 4 4 A R T >> S+ 0 0 46 1,-0.2 4,-0.6 2,-0.1 3,-0.5 0.918 99.8 48.8 -61.7 -40.4 51.6 47.3 18.5 5 5 A F H <> S+ 0 0 0 -3,-1.3 4,-3.1 1,-0.2 5,-0.3 0.715 88.0 91.8 -73.3 -16.3 51.9 43.5 18.2 6 6 A Q H S+ 0 0 91 -3,-0.5 4,-0.9 -4,-0.4 -1,-0.2 0.952 119.0 49.7 -73.8 -43.7 49.4 42.6 23.5 8 8 A A H >< S+ 0 0 16 -4,-0.6 3,-1.1 1,-0.2 4,-0.2 0.934 111.3 49.3 -57.9 -46.2 48.0 40.6 20.6 9 9 A F H >< S+ 0 0 16 -4,-3.1 3,-2.2 1,-0.3 -1,-0.2 0.907 104.3 59.0 -59.4 -47.0 51.0 38.2 20.5 10 10 A A H 3< S+ 0 0 68 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.725 104.6 51.9 -57.0 -21.7 50.8 37.6 24.2 11 11 A Q T << S+ 0 0 167 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.439 88.4 106.3 -98.4 1.7 47.3 36.3 23.8 12 12 A L S < S- 0 0 18 -3,-2.2 2,-0.1 -4,-0.2 44,-0.0 -0.362 83.2 -87.4 -79.1 159.7 48.2 33.8 21.0 13 13 A A >> - 0 0 57 1,-0.1 4,-2.8 -2,-0.1 3,-0.7 -0.392 41.9-113.2 -63.7 146.7 48.4 30.0 21.5 14 14 A D H 3> S+ 0 0 123 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.859 114.4 46.6 -52.8 -52.0 51.8 28.8 22.7 15 15 A N H 3> S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.822 114.5 50.1 -65.2 -24.6 52.9 26.8 19.7 16 16 A L H <> S+ 0 0 4 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.947 109.0 51.2 -75.4 -46.2 51.8 29.8 17.5 17 17 A Q H X S+ 0 0 40 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.916 110.9 49.7 -53.1 -46.0 53.8 32.2 19.6 18 18 A S H < S+ 0 0 65 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.959 112.3 45.4 -59.9 -54.0 56.8 30.0 19.2 19 19 A A H < S+ 0 0 24 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.812 119.4 42.8 -62.1 -29.8 56.5 29.7 15.4 20 20 A L H >X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 3,-0.6 0.836 88.9 84.1 -86.7 -33.6 55.9 33.5 15.0 21 21 A E T 3< S+ 0 0 110 -4,-2.8 4,-0.4 1,-0.3 -1,-0.2 0.783 92.9 49.2 -44.7 -42.5 58.4 34.9 17.4 22 22 A P T >> S+ 0 0 92 0, 0.0 3,-1.0 0, 0.0 4,-0.5 0.953 115.4 44.5 -57.5 -48.4 61.2 34.8 14.8 23 23 A I G X4 S+ 0 0 35 -3,-0.6 3,-0.6 -4,-0.5 -2,-0.2 0.952 116.5 43.9 -64.0 -50.4 59.0 36.5 12.2 24 24 A L G 3< S+ 0 0 1 -4,-2.7 -1,-0.3 1,-0.2 -22,-0.2 0.437 88.9 93.6 -77.6 3.8 57.7 39.1 14.5 25 25 A A G <4 + 0 0 62 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.980 69.4 77.7 -60.2 -51.6 61.1 39.8 15.9 26 26 A D S X< S- 0 0 95 -3,-0.6 3,-1.4 -4,-0.5 -24,-0.4 -0.312 76.9-141.9 -64.7 127.1 61.9 42.6 13.5 27 27 A K T 3 S+ 0 0 106 1,-0.3 -1,-0.1 -26,-0.2 -25,-0.1 0.818 103.7 52.3 -56.8 -32.5 60.1 45.9 14.3 28 28 A Y T 3 S+ 0 0 94 -27,-0.1 -1,-0.3 2,-0.0 -2,-0.1 -0.235 73.0 161.4-101.2 41.6 59.6 46.5 10.6 29 29 A F < - 0 0 4 -3,-1.4 -5,-0.1 -5,-0.2 -6,-0.0 -0.519 45.5-128.4 -54.1 127.1 57.9 43.1 10.1 30 30 A P - 0 0 48 0, 0.0 -1,-0.1 0, 0.0 56,-0.1 0.276 27.0-117.8 -76.5 12.6 56.2 43.9 6.7 31 31 A A S S+ 0 0 0 1,-0.2 55,-2.6 54,-0.1 2,-0.3 0.915 85.0 97.1 50.6 52.7 52.7 42.7 7.8 32 32 A L E -A 85 0A 32 53,-0.2 2,-0.4 217,-0.1 53,-0.2 -0.958 59.9-150.4-160.7 153.5 52.7 40.0 5.1 33 33 A L E -A 84 0A 1 51,-2.1 51,-2.8 -2,-0.3 2,-0.1 -0.996 15.4-135.9-139.6 127.5 53.6 36.3 5.2 34 34 A T > - 0 0 45 -2,-0.4 4,-2.1 49,-0.2 5,-0.2 -0.436 33.1-101.0 -75.0 166.0 55.0 34.4 2.3 35 35 A G H > S+ 0 0 28 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.895 124.5 54.1 -53.2 -41.8 53.8 30.9 1.3 36 36 A E H > S+ 0 0 151 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.942 107.4 49.1 -60.5 -47.0 56.8 29.4 3.0 37 37 A Q H > S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.853 109.9 51.6 -62.8 -33.2 56.0 31.2 6.2 38 38 A V H X S+ 0 0 6 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.959 108.3 52.3 -68.7 -46.8 52.4 30.0 6.1 39 39 A S H X S+ 0 0 62 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.919 110.3 47.9 -52.8 -47.9 53.6 26.4 5.5 40 40 A S H X S+ 0 0 74 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.902 110.1 52.1 -60.7 -40.3 55.9 26.6 8.6 41 41 A L H X S+ 0 0 1 -4,-1.9 4,-1.0 2,-0.2 6,-0.4 0.899 109.9 49.1 -63.9 -40.5 53.1 28.0 10.7 42 42 A K H >X S+ 0 0 64 -4,-2.4 4,-3.3 2,-0.2 3,-0.9 0.952 110.9 49.9 -65.1 -46.3 50.8 25.2 9.6 43 43 A S H 3< S+ 0 0 107 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.889 111.0 50.5 -60.3 -38.4 53.5 22.6 10.5 44 44 A A H 3< S+ 0 0 47 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.708 127.3 19.6 -72.9 -21.0 54.0 24.2 13.9 45 45 A T H << S- 0 0 24 -4,-1.0 -2,-0.2 -3,-0.9 -3,-0.2 0.652 89.5-125.8-121.2 -26.5 50.4 24.3 14.9 46 46 A G < + 0 0 69 -4,-3.3 -4,-0.1 1,-0.3 -3,-0.1 0.423 62.1 142.0 87.4 -1.4 48.4 21.8 12.8 47 47 A L - 0 0 58 -6,-0.4 -1,-0.3 -5,-0.3 2,-0.2 -0.388 47.2-132.5 -70.0 145.3 46.1 24.6 11.8 48 48 A D > - 0 0 95 -3,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.511 36.7 -88.6 -86.8 175.8 44.8 24.7 8.2 49 49 A E H > S+ 0 0 85 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.902 124.5 46.3 -52.5 -49.3 44.9 27.9 6.1 50 50 A D H > S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.919 116.2 44.1 -63.6 -42.2 41.5 29.2 7.2 51 51 A A H > S+ 0 0 36 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.810 112.9 51.9 -73.9 -27.8 42.0 28.6 10.9 52 52 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.962 108.7 51.6 -68.9 -49.0 45.5 30.0 10.7 53 53 A A H X S+ 0 0 0 -4,-3.0 4,-1.2 1,-0.3 -2,-0.2 0.918 111.7 47.0 -53.9 -47.8 44.1 33.1 9.0 54 54 A F H < S+ 0 0 61 -4,-2.4 3,-0.5 1,-0.2 -1,-0.3 0.885 110.0 52.8 -60.0 -41.1 41.5 33.5 11.8 55 55 A A H < S+ 0 0 31 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.850 110.7 48.8 -64.9 -33.2 44.2 32.9 14.5 56 56 A L H >X S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.2 4,-1.3 0.667 81.9 93.9 -79.5 -19.0 46.3 35.7 13.0 57 57 A L H 3X S+ 0 0 7 -4,-1.2 4,-2.6 -3,-0.5 5,-0.2 0.784 77.1 63.5 -50.3 -33.7 43.5 38.3 12.7 58 58 A P H 3> S+ 0 0 64 0, 0.0 4,-1.1 0, 0.0 -1,-0.3 0.842 103.4 49.0 -57.3 -34.2 44.5 39.9 16.2 59 59 A L H <4 S+ 0 0 0 -3,-1.9 4,-0.4 2,-0.2 -2,-0.2 0.921 111.8 47.9 -73.5 -39.6 47.9 40.8 14.7 60 60 A A H >< S+ 0 0 0 -4,-1.3 3,-1.7 1,-0.2 -1,-0.1 0.943 112.3 49.1 -62.7 -43.5 46.3 42.4 11.6 61 61 A A H >< S+ 0 0 11 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.770 97.9 70.3 -66.5 -25.9 43.8 44.3 13.8 62 62 A A T 3< S+ 0 0 24 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.688 91.7 59.9 -65.2 -17.8 46.8 45.5 15.9 63 63 A C T < S+ 0 0 2 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.405 80.2 123.2 -87.5 1.4 47.8 47.6 12.9 64 64 A A < - 0 0 12 -3,-1.7 2,-0.7 23,-0.1 26,-0.2 -0.380 51.1-154.4 -70.5 141.9 44.6 49.6 13.0 65 65 A R B +f 90 0B 56 24,-2.5 26,-2.5 -2,-0.1 3,-0.2 -0.873 30.1 157.1-112.8 93.1 44.7 53.4 13.4 66 66 A T > + 0 0 19 -2,-0.7 4,-1.8 24,-0.2 5,-0.1 -0.367 10.2 153.2-123.1 62.8 41.4 54.2 15.0 67 67 A P T 4 S+ 0 0 80 0, 0.0 -1,-0.2 0, 0.0 25,-0.1 0.771 82.4 40.4 -59.8 -28.5 41.4 57.6 16.9 68 68 A L T 4 S+ 0 0 106 -3,-0.2 -2,-0.1 3,-0.1 24,-0.0 0.942 128.6 20.1 -84.5 -54.7 37.7 58.1 16.3 69 69 A S T 4 S- 0 0 57 2,-0.1 3,-0.1 1,-0.0 -3,-0.1 0.807 72.9-147.2 -88.4 -30.8 36.0 54.7 16.8 70 70 A N < + 0 0 136 -4,-1.8 2,-0.6 1,-0.2 -4,-0.0 0.825 59.9 131.2 56.8 34.2 38.5 52.6 18.8 71 71 A F - 0 0 98 -5,-0.1 2,-0.5 2,-0.0 -1,-0.2 -0.915 45.3-160.3-118.8 98.3 37.0 49.8 16.7 72 72 A N - 0 0 64 -2,-0.6 2,-0.4 -3,-0.1 -11,-0.1 -0.720 9.0-174.1 -89.2 124.3 39.9 47.9 15.3 73 73 A V - 0 0 13 -2,-0.5 16,-1.2 -12,-0.1 2,-0.4 -0.955 3.3-165.5-119.0 135.6 39.3 45.7 12.3 74 74 A G E -B 88 0A 0 -2,-0.4 51,-1.8 14,-0.2 2,-0.3 -0.925 5.8-177.4-119.0 145.2 41.9 43.3 10.8 75 75 A A E -BC 87 124A 0 12,-2.5 12,-1.5 -2,-0.4 2,-0.4 -0.970 13.4-156.2-137.3 150.6 41.7 41.6 7.4 76 76 A I E -BC 86 123A 0 47,-2.4 47,-2.1 -2,-0.3 2,-0.5 -0.990 10.4-157.9-128.6 115.8 44.1 39.1 5.7 77 77 A A E -BC 85 122A 0 8,-2.9 8,-3.0 -2,-0.4 2,-0.7 -0.834 10.0-147.3 -94.5 133.3 44.0 39.0 1.9 78 78 A R E -BC 84 121A 16 43,-2.7 42,-3.3 -2,-0.5 43,-1.2 -0.890 13.9-146.2-110.5 111.2 45.4 35.8 0.5 79 79 A G E > - C 0 119A 6 4,-3.1 3,-1.3 -2,-0.7 40,-0.2 -0.281 22.8-119.8 -71.0 159.3 47.1 36.2 -2.8 80 80 A V T 3 S+ 0 0 84 38,-2.3 39,-0.1 1,-0.3 -1,-0.1 0.810 114.9 65.1 -71.3 -21.1 47.1 33.7 -5.6 81 81 A S T 3 S- 0 0 72 37,-0.4 -1,-0.3 2,-0.1 -46,-0.2 0.707 120.7-108.5 -70.1 -23.5 50.9 33.6 -5.1 82 82 A G S < S+ 0 0 27 -3,-1.3 2,-0.2 1,-0.4 -44,-0.1 0.213 79.5 130.5 108.0 -11.7 50.4 32.2 -1.6 83 83 A T - 0 0 24 -49,-0.1 -4,-3.1 -5,-0.1 2,-0.5 -0.575 48.2-148.2 -77.4 139.6 51.4 35.4 0.1 84 84 A W E -AB 33 78A 5 -51,-2.8 -51,-2.1 -2,-0.2 2,-0.5 -0.924 10.7-159.5-104.6 130.5 49.1 36.6 2.8 85 85 A Y E -AB 32 77A 11 -8,-3.0 -8,-2.9 -2,-0.5 -53,-0.2 -0.944 8.7-140.2-114.2 127.9 48.8 40.4 3.2 86 86 A F E - B 0 76A 2 -55,-2.6 2,-0.3 -2,-0.5 -10,-0.2 -0.425 21.3-179.0 -77.3 166.1 47.5 42.0 6.4 87 87 A G E - B 0 75A 0 -12,-1.5 -12,-2.5 -2,-0.1 2,-0.3 -0.962 5.1-178.5-162.1 147.8 45.3 45.1 6.4 88 88 A A E - B 0 74A 0 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.961 33.0 -95.0-150.6 158.0 43.7 47.2 9.1 89 89 A N - 0 0 13 -16,-1.2 -24,-2.5 -2,-0.3 2,-0.4 -0.502 34.1-160.0 -79.6 152.1 41.3 50.2 9.1 90 90 A M B -fG 65 101B 0 11,-2.2 11,-2.5 -26,-0.2 2,-0.4 -0.997 7.3-169.6-136.9 135.8 42.6 53.8 9.4 91 91 A E - 0 0 19 -26,-2.5 2,-0.7 -2,-0.4 6,-0.1 -0.967 12.5-147.5-124.4 139.9 40.9 57.0 10.5 92 92 A F > - 0 0 8 -2,-0.4 3,-1.8 4,-0.3 7,-0.1 -0.887 7.4-144.1-120.6 105.3 42.4 60.5 10.2 93 93 A I T 3 S+ 0 0 97 -2,-0.7 3,-0.1 1,-0.3 -25,-0.0 -0.404 90.1 27.9 -56.7 134.0 41.6 63.2 12.7 94 94 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.3 -2,-0.1 2,-0.1 0.325 111.7 76.2 92.5 -9.6 41.3 66.5 11.0 95 95 A A S < S- 0 0 34 -3,-1.8 -1,-0.3 1,-0.1 2,-0.3 -0.140 85.9 -85.8-107.9-148.2 40.2 65.1 7.7 96 96 A T > - 0 0 77 -3,-0.1 3,-1.7 -2,-0.1 -4,-0.3 -0.775 29.9-105.4-118.8 172.7 36.7 63.7 6.7 97 97 A M G > S+ 0 0 141 1,-0.3 3,-1.5 -2,-0.3 -1,-0.1 0.837 116.2 66.8 -66.8 -30.3 34.8 60.5 6.9 98 98 A Q G 3 S+ 0 0 149 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.609 94.0 59.1 -69.0 -9.6 35.5 60.1 3.1 99 99 A Q G < S+ 0 0 25 -3,-1.7 -1,-0.3 -7,-0.1 -2,-0.2 0.537 79.2 119.4 -95.9 -6.1 39.2 59.7 3.8 100 100 A T < - 0 0 33 -3,-1.5 2,-0.5 -4,-0.3 -9,-0.2 -0.188 54.4-145.9 -58.3 145.1 38.7 56.6 6.0 101 101 A V B -G 90 0B 0 -11,-2.5 -11,-2.2 136,-0.1 2,-0.3 -0.962 9.8-143.2-115.8 130.9 40.4 53.4 5.0 102 102 A H >> - 0 0 56 -2,-0.5 4,-2.5 -13,-0.2 3,-0.6 -0.730 22.9-116.2 -90.0 150.8 38.6 50.1 5.8 103 103 A A H 3> S+ 0 0 1 -2,-0.3 4,-2.7 1,-0.3 -28,-0.2 0.894 116.7 53.0 -50.1 -38.1 40.6 47.0 6.8 104 104 A E H 3> S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.878 109.7 46.2 -69.1 -39.6 39.4 45.2 3.6 105 105 A Q H <> S+ 0 0 4 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.903 111.9 53.4 -70.2 -38.3 40.6 48.0 1.3 106 106 A S H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.956 111.2 44.8 -57.9 -52.2 43.9 48.1 3.2 107 107 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.929 115.8 46.3 -61.9 -44.7 44.5 44.4 2.7 108 108 A I H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.919 114.4 47.4 -66.2 -43.4 43.5 44.4 -1.0 109 109 A S H X S+ 0 0 0 -4,-2.7 4,-3.2 2,-0.2 5,-0.4 0.917 108.7 55.5 -64.5 -38.9 45.6 47.5 -1.7 110 110 A H H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.959 112.1 43.7 -55.4 -50.8 48.5 46.0 0.1 111 111 A A H X>S+ 0 0 0 -4,-2.2 5,-2.6 2,-0.2 4,-0.6 0.949 116.8 45.1 -61.2 -51.8 48.3 43.0 -2.2 112 112 A W H ><5S+ 0 0 7 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.910 115.1 46.2 -61.0 -44.6 47.8 45.0 -5.4 113 113 A L H 3<5S+ 0 0 32 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.838 107.1 58.5 -72.6 -28.5 50.5 47.5 -4.7 114 114 A S H 3<5S- 0 0 59 -4,-2.1 -1,-0.3 -5,-0.4 -2,-0.2 0.616 126.5-102.1 -73.2 -9.3 52.9 44.7 -3.7 115 115 A G T <<5 + 0 0 49 -3,-1.2 -3,-0.2 -4,-0.6 -2,-0.1 0.516 64.5 159.9 103.2 8.1 52.3 43.3 -7.3 116 116 A E < - 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