==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-APR-08 2VRK . COMPND 2 MOLECULE: ALPHA-L-ARABINOFURANOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOBACILLUS XYLANILYTICUS; . AUTHOR G.PAES,L.K.SKOV,M.J.ODONOHUE,C.REMOND,J.S.KASTRUP,M.GAJHEDE, . 1479 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53145.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1067 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 165 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 223 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.1 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 0.1 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 . 149 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 154 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 309 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 0 0 0 0 3 3 3 6 3 3 0 0 3 0 0 0 0 0 0 0 0 0 0 0 3 0 0 RESIDUES PER ALPHA HELIX . 6 3 3 15 0 3 3 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 . 9 15 0 6 0 3 6 5 1 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 . 3 6 3 0 0 0 0 3 3 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 A 0 0 97 0, 0.0 425,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 146.4 66.2 -54.0 17.8 2 5 A S E -a 426 0A 0 423,-2.6 425,-2.8 385,-0.1 2,-0.4 -0.506 360.0-143.0 -69.1 147.0 64.4 -56.2 20.3 3 6 A R E +aB 427 386A 107 383,-3.0 383,-2.7 423,-0.2 2,-0.4 -0.947 19.9 179.5-121.2 137.5 66.4 -59.3 21.2 4 7 A V E -aB 428 385A 0 423,-2.7 425,-3.3 -2,-0.4 2,-0.5 -0.996 12.6-162.0-137.6 131.2 65.0 -62.8 21.8 5 8 A V E -aB 429 384A 2 379,-3.0 379,-2.2 -2,-0.4 2,-0.6 -0.962 10.1-161.0-111.4 122.8 66.8 -66.0 22.7 6 9 A V E -aB 430 383A 1 423,-3.1 425,-2.9 -2,-0.5 2,-1.0 -0.920 5.2-160.5-103.7 119.5 64.9 -69.2 22.2 7 10 A N E > +aB 431 382A 14 375,-3.1 3,-1.9 -2,-0.6 375,-0.8 -0.779 11.4 179.8 -97.7 89.4 66.1 -72.2 24.1 8 11 A A E 3 S+ 0 0 5 423,-2.1 424,-0.2 -2,-1.0 -1,-0.2 0.640 79.0 57.4 -67.2 -18.7 64.5 -75.0 22.0 9 12 A D E 3 S+ 0 0 110 422,-0.3 2,-0.6 1,-0.1 -1,-0.3 0.397 95.5 77.7 -90.6 3.1 66.0 -77.7 24.2 10 13 A R E < - 0 0 153 -3,-1.9 372,-2.9 372,-0.2 2,-0.4 -0.893 65.0-164.0-121.6 104.5 64.4 -76.2 27.3 11 14 A V E - B 0 381A 56 -2,-0.6 370,-0.2 370,-0.2 3,-0.1 -0.712 10.2-173.9 -92.2 131.3 60.6 -76.9 27.8 12 15 A K E - 0 0 115 368,-3.1 2,-0.3 -2,-0.4 369,-0.1 0.530 58.8 -68.1-100.0 -10.1 58.7 -74.7 30.3 13 16 A G E - B 0 380A 26 367,-0.7 367,-2.8 2,-0.0 2,-0.5 -0.901 59.4 -62.3 147.2-174.7 55.4 -76.6 30.2 14 17 A T E - B 0 379A 74 -2,-0.3 2,-1.0 365,-0.2 365,-0.2 -0.917 33.7-134.4-113.0 130.6 52.4 -77.4 28.0 15 18 A I - 0 0 0 363,-2.9 362,-2.1 -2,-0.5 363,-0.4 -0.721 30.3-131.4 -79.6 102.5 50.1 -74.8 26.5 16 19 A N > - 0 0 48 -2,-1.0 3,-2.2 321,-0.3 4,-0.3 -0.332 8.1-133.1 -56.8 129.7 46.7 -76.4 27.2 17 20 A R G > S+ 0 0 92 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 0.790 101.5 72.6 -56.3 -26.0 44.7 -76.3 23.9 18 21 A N G > S+ 0 0 2 320,-0.3 322,-2.1 1,-0.3 3,-1.6 0.618 73.9 80.5 -68.5 -12.1 41.7 -75.0 26.0 19 22 A I G < S+ 0 0 0 -3,-2.2 -1,-0.3 320,-0.3 -2,-0.2 0.775 88.6 59.5 -56.7 -22.8 43.5 -71.6 26.4 20 23 A Y G < S+ 0 0 2 -3,-2.1 -1,-0.3 -4,-0.3 44,-0.2 0.083 86.8 138.9 -95.7 23.2 42.1 -71.1 22.8 21 24 A G E < -j 341 0B 0 -3,-1.6 321,-1.8 319,-0.9 2,-0.3 -0.079 38.1-148.5 -71.9 166.6 38.5 -71.5 24.1 22 25 A H E -jk 342 65B 1 42,-2.1 44,-2.2 319,-0.3 2,-0.4 -0.802 1.1-147.1-134.4 173.0 35.3 -69.7 23.2 23 26 A F E -jk 343 66B 0 319,-0.8 322,-1.6 -2,-0.3 321,-1.0 -0.994 9.0-175.6-151.1 124.9 32.1 -68.6 24.8 24 27 A S - 0 0 0 42,-2.9 2,-0.2 -2,-0.4 319,-0.0 -0.931 6.9-173.8-133.8 114.8 28.5 -68.2 23.4 25 28 A E - 0 0 16 -2,-0.4 2,-2.0 42,-0.1 6,-0.4 -0.665 41.6-102.9 -96.9 152.4 25.7 -66.8 25.5 26 29 A H S S+ 0 0 16 42,-1.8 2,-0.3 -2,-0.2 3,-0.1 -0.609 81.9 122.9 -68.4 82.3 22.0 -66.6 24.5 27 30 A L S > S- 0 0 37 -2,-2.0 3,-2.5 283,-0.1 4,-0.4 -0.993 72.6 -33.9-149.3 141.4 22.4 -62.9 23.9 28 31 A G T 3 S- 0 0 23 -2,-0.3 4,-0.4 1,-0.2 3,-0.2 -0.149 119.8 -29.1 44.2-126.4 21.8 -60.7 20.8 29 32 A R T 3 >S+ 0 0 59 318,-0.4 5,-0.7 281,-0.4 -1,-0.2 -0.037 106.8 106.9-112.7 32.2 22.6 -62.8 17.7 30 33 A C T < 5S+ 0 0 0 -3,-2.5 -1,-0.1 -5,-0.2 -4,-0.1 0.975 97.8 13.9 -72.3 -55.3 25.2 -65.1 19.1 31 34 A I T >>S+ 0 0 1 -6,-0.4 5,-2.9 -4,-0.4 4,-1.8 0.955 124.2 60.0 -84.0 -58.6 23.1 -68.2 19.2 32 35 A Y B 45S-r 36 0C 42 -4,-0.4 2,-1.1 1,-0.2 5,-0.2 -0.615 129.2 -8.3 -78.3 126.8 20.2 -67.2 17.0 33 36 A E T 45S+ 0 0 53 3,-2.5 -1,-0.2 -2,-0.4 17,-0.1 -0.369 127.7 72.4 79.1 -48.9 21.3 -66.3 13.5 34 37 A G T 4 - 0 0 15 10,-2.0 3,-1.9 1,-0.1 10,-0.4 0.130 28.8 -85.6 95.2 148.5 16.9 -73.7 12.1 39 42 A E T 3 S+ 0 0 125 1,-0.3 9,-0.2 8,-0.2 6,-0.2 0.796 125.6 46.4 -61.1 -31.1 16.6 -76.8 9.9 40 43 A D T 3 S+ 0 0 157 -3,-0.1 -1,-0.3 7,-0.1 -2,-0.1 0.251 81.8 127.1 -99.9 12.6 14.3 -75.2 7.3 41 44 A S < - 0 0 27 -3,-1.9 4,-0.2 1,-0.1 7,-0.1 -0.408 63.9-133.2 -68.3 144.3 16.4 -72.0 6.9 42 45 A P S S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.673 86.5 97.6 -70.2 -16.9 17.4 -71.0 3.3 43 46 A I S S- 0 0 21 -6,-0.1 -2,-0.1 -5,-0.1 -6,-0.1 -0.621 96.7-105.1 -69.4 120.3 20.8 -70.4 4.8 44 47 A P + 0 0 85 0, 0.0 7,-2.4 0, 0.0 8,-0.5 -0.234 58.6 165.5 -54.1 132.5 22.7 -73.6 4.0 45 48 A N E -T 50 0C 35 5,-0.3 2,-0.7 -4,-0.2 5,-0.3 -0.974 44.5-126.5-150.0 158.1 23.0 -75.6 7.3 46 49 A T E > S-T 49 0C 46 3,-2.9 3,-1.7 -2,-0.3 70,-0.1 -0.942 96.0 -29.8-107.4 106.9 23.7 -78.9 9.0 47 50 A N T 3 S- 0 0 85 -2,-0.7 -8,-0.2 1,-0.3 -1,-0.1 0.815 130.3 -40.8 55.6 35.9 20.7 -79.9 11.1 48 51 A G T 3 S+ 0 0 0 -10,-0.4 -11,-3.0 -9,-0.2 -10,-2.0 0.294 117.1 109.1 97.4 -8.6 19.9 -76.2 11.8 49 52 A I E < S-ST 36 46C 0 -3,-1.7 -3,-2.9 -13,-0.2 -1,-0.2 -0.899 76.5-111.5-104.6 122.8 23.4 -74.9 12.2 50 53 A R E > - T 0 45C 0 -15,-2.2 4,-1.7 -2,-0.5 -5,-0.3 -0.206 18.3-143.1 -59.4 136.1 24.8 -72.7 9.4 51 54 A N H > S+ 0 0 56 -7,-2.4 4,-3.0 2,-0.2 5,-0.3 0.834 93.1 60.3 -70.1 -37.0 27.6 -74.4 7.4 52 55 A D H > S+ 0 0 49 -8,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.959 111.2 40.5 -59.3 -48.5 29.7 -71.3 6.7 53 56 A V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.931 114.3 54.1 -62.8 -46.7 30.3 -70.7 10.5 54 57 A L H X S+ 0 0 6 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.945 110.4 45.5 -52.5 -53.8 30.7 -74.4 11.1 55 58 A E H X S+ 0 0 106 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.914 113.3 49.8 -60.4 -43.2 33.4 -74.8 8.5 56 59 A A H X S+ 0 0 8 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.913 111.7 48.0 -62.5 -43.1 35.2 -71.6 9.7 57 60 A L H X>S+ 0 0 0 -4,-2.8 5,-1.5 1,-0.2 4,-0.7 0.872 110.4 51.7 -67.2 -36.5 35.2 -72.7 13.3 58 61 A K H ><5S+ 0 0 87 -4,-2.3 3,-0.7 -5,-0.3 -1,-0.2 0.902 108.5 50.9 -65.7 -40.4 36.4 -76.2 12.4 59 62 A Q H 3<5S+ 0 0 115 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.888 109.1 51.9 -62.8 -38.0 39.4 -74.8 10.5 60 63 A X H 3<5S- 0 0 3 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.635 109.1-129.8 -71.3 -15.8 40.2 -72.6 13.5 61 64 A K T <<5 - 0 0 121 -3,-0.7 -3,-0.2 -4,-0.7 -2,-0.1 0.929 21.1-155.5 61.5 51.2 40.2 -75.7 15.7 62 65 A I < - 0 0 5 -5,-1.5 -1,-0.2 1,-0.2 -41,-0.1 -0.373 8.4-168.3 -51.9 121.9 37.9 -74.5 18.5 63 66 A P + 0 0 8 0, 0.0 57,-2.4 0, 0.0 2,-0.3 0.767 63.0 5.7 -90.6 -30.6 38.9 -76.6 21.5 64 67 A V E - l 0 120B 0 55,-0.3 -42,-2.1 -44,-0.2 2,-0.4 -0.989 58.2-155.4-155.9 148.1 36.1 -75.8 23.9 65 68 A L E -kl 22 121B 0 55,-2.1 57,-1.7 -2,-0.3 2,-0.4 -0.979 10.8-148.5-135.3 121.2 32.8 -73.9 23.9 66 69 A R E -kl 23 122B 3 -44,-2.2 -42,-2.9 -2,-0.4 57,-0.2 -0.718 29.5-146.3 -91.5 136.0 31.2 -72.4 27.0 67 70 A W E + l 0 123B 0 55,-2.3 57,-1.7 -2,-0.4 -42,-0.1 -0.972 51.5 7.3-160.4 149.7 27.3 -72.2 27.1 68 71 A P S S- 0 0 0 0, 0.0 -42,-1.8 0, 0.0 2,-0.3 -0.926 99.0-102.4-101.9 14.4 24.6 -70.9 27.8 69 72 A G - 0 0 0 -44,-0.2 2,-0.1 3,-0.2 -2,-0.1 -0.982 15.8 -78.2 165.1-175.5 26.2 -67.9 29.2 70 73 A G S >> S+ 0 0 0 -2,-0.3 3,-1.7 102,-0.1 4,-0.6 0.461 119.5 5.7 -85.2-107.2 27.5 -65.5 31.7 71 74 A a G >4 S+ 0 0 35 1,-0.3 3,-1.1 2,-0.2 4,-0.1 0.815 131.5 56.5 -54.8 -41.4 24.4 -63.7 32.9 72 75 A F G >> S+ 0 0 29 1,-0.2 3,-2.0 2,-0.2 4,-1.4 0.852 95.4 68.1 -55.5 -36.6 21.9 -65.8 31.0 73 76 A A G <4 S+ 0 0 1 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.804 99.1 48.0 -58.7 -31.3 23.3 -69.0 32.7 74 77 A D G << S+ 0 0 0 -3,-1.1 55,-0.3 -4,-0.6 -1,-0.3 0.245 115.3 45.9 -97.6 15.9 22.0 -68.0 36.1 75 78 A E T <4 S+ 0 0 76 -3,-2.0 -2,-0.2 -4,-0.1 -1,-0.2 0.454 93.6 103.2-115.6 -18.3 18.6 -67.2 34.7 76 79 A Y < - 0 0 9 -4,-1.4 2,-0.6 1,-0.0 50,-0.2 -0.455 52.3-161.7 -76.3 137.3 18.3 -70.4 32.6 77 80 A H > - 0 0 20 -2,-0.2 3,-2.6 1,-0.1 4,-0.3 -0.932 13.6-152.3-115.0 104.2 16.2 -73.4 33.5 78 81 A W G > S+ 0 0 2 -2,-0.6 3,-1.8 1,-0.3 29,-0.3 0.720 87.6 67.2 -53.3 -28.7 17.6 -76.1 31.3 79 82 A K G > S+ 0 0 74 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.748 88.4 68.9 -66.5 -20.5 14.4 -78.2 31.1 80 83 A D G < S+ 0 0 41 -3,-2.6 9,-0.4 1,-0.2 -1,-0.3 0.739 99.0 52.2 -65.7 -21.3 12.9 -75.3 29.1 81 84 A G G < S+ 0 0 0 -3,-1.8 27,-0.4 -4,-0.3 2,-0.3 0.192 97.5 73.4-106.5 14.9 15.3 -76.3 26.3 82 85 A V < + 0 0 9 -3,-1.2 72,-0.0 24,-0.1 23,-0.0 -0.870 69.7 48.5-122.8 162.5 14.6 -80.1 26.0 83 86 A G S S- 0 0 9 -2,-0.3 5,-0.1 74,-0.1 74,-0.0 -0.403 102.9 -7.0 103.6 177.7 11.7 -82.0 24.5 84 87 A P > - 0 0 76 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.229 69.0-137.1 -48.5 121.0 9.8 -81.7 21.1 85 88 A R G > S+ 0 0 71 1,-0.3 3,-1.5 2,-0.2 20,-0.0 0.864 98.4 54.1 -56.3 -43.6 11.3 -78.6 19.6 86 89 A E G 3 S+ 0 0 134 1,-0.3 -1,-0.3 18,-0.0 18,-0.1 0.622 109.7 49.3 -69.3 -12.5 8.1 -77.1 18.4 87 90 A K G < S+ 0 0 163 -3,-1.9 -1,-0.3 2,-0.0 -2,-0.2 0.324 82.0 120.0-109.2 4.2 6.5 -77.3 21.8 88 91 A R S < S- 0 0 30 -3,-1.5 -7,-0.1 -4,-0.4 -8,-0.1 -0.342 74.8 -84.4 -70.5 155.1 9.3 -75.7 23.9 89 92 A K - 0 0 103 -9,-0.4 2,-0.4 14,-0.1 -1,-0.1 -0.236 45.5-155.3 -60.3 146.8 8.6 -72.6 26.0 90 93 A R - 0 0 133 -3,-0.1 2,-0.4 13,-0.1 12,-0.2 -0.963 13.1-169.2-130.5 135.1 8.8 -69.3 24.2 91 94 A X E -U 101 0D 46 10,-2.7 10,-3.3 -2,-0.4 2,-0.4 -0.995 10.7-177.2-124.5 127.7 9.6 -65.7 25.5 92 95 A V E -UV 100 641D 16 549,-2.7 549,-2.0 -2,-0.4 2,-0.6 -0.984 14.3-153.6-126.9 131.7 9.0 -62.7 23.2 93 96 A N - 0 0 30 6,-1.0 5,-0.4 -2,-0.4 6,-0.1 -0.901 3.4-164.8-107.3 112.3 9.8 -59.1 23.9 94 97 A T + 0 0 95 -2,-0.6 2,-0.2 4,-0.1 -1,-0.1 0.135 67.0 86.2 -77.1 19.3 7.7 -56.5 22.0 95 98 A H S > S- 0 0 78 4,-0.1 3,-1.5 1,-0.1 4,-0.1 -0.640 102.2 -95.0-113.7 172.0 10.1 -53.8 23.0 96 99 A W T 3 S+ 0 0 175 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.795 110.9 90.7 -52.5 -27.9 13.4 -52.4 21.6 97 100 A G T 3 S- 0 0 38 1,-0.1 -1,-0.3 2,-0.1 -3,-0.1 0.833 81.4-154.4 -33.8 -51.9 14.7 -54.9 24.2 98 101 A G < + 0 0 19 -3,-1.5 2,-1.2 -5,-0.4 -1,-0.1 0.786 30.3 159.7 78.2 31.7 14.7 -57.6 21.5 99 102 A V + 0 0 67 -4,-0.1 -6,-1.0 -6,-0.1 2,-0.7 -0.680 1.6 159.7 -91.2 87.9 14.3 -60.6 23.7 100 103 A I E +U 92 0D 94 -2,-1.2 2,-0.6 -8,-0.2 -8,-0.2 -0.875 7.6 167.4-108.9 100.0 13.1 -63.4 21.4 101 104 A E E +U 91 0D 22 -10,-3.3 -10,-2.7 -2,-0.7 -2,-0.0 -0.893 14.0 164.3-118.3 102.6 13.8 -66.8 23.0 102 105 A N - 0 0 41 -2,-0.6 -1,-0.1 -12,-0.2 -14,-0.1 0.428 45.8-130.4 -93.6 0.6 12.1 -69.8 21.6 103 106 A N + 0 0 12 1,-0.1 -14,-0.1 2,-0.1 -13,-0.1 0.657 65.4 135.0 58.4 18.3 14.4 -72.3 23.3 104 107 A H + 0 0 55 1,-0.2 2,-0.9 -16,-0.1 -1,-0.1 0.773 63.8 63.8 -66.3 -26.6 15.0 -74.1 20.0 105 108 A F S S+ 0 0 0 4,-0.1 2,-0.2 -69,-0.1 -1,-0.2 -0.875 78.7 137.8 -99.0 104.8 18.7 -74.2 20.9 106 109 A G > - 0 0 0 -2,-0.9 4,-2.6 -25,-0.1 5,-0.2 -0.505 67.5 -56.7-128.4-161.0 18.8 -76.4 24.0 107 110 A T H > S+ 0 0 0 -29,-0.3 4,-2.5 1,-0.2 5,-0.2 0.873 130.4 46.4 -54.0 -46.5 20.9 -79.1 25.5 108 111 A H H > S+ 0 0 26 -27,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.900 113.7 48.3 -67.2 -39.6 20.6 -81.6 22.6 109 112 A E H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.880 112.7 50.1 -68.2 -35.4 21.4 -78.9 20.0 110 113 A F H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.925 110.3 46.7 -67.7 -47.9 24.4 -77.8 22.0 111 114 A X H X S+ 0 0 6 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.892 114.2 50.8 -61.0 -37.4 25.9 -81.2 22.5 112 115 A X H X S+ 0 0 40 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.937 107.9 52.0 -63.1 -48.8 25.3 -81.7 18.8 113 116 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.948 109.3 49.2 -52.0 -50.8 27.0 -78.4 18.0 114 117 A C H X>S+ 0 0 3 -4,-2.6 5,-1.9 1,-0.2 4,-1.5 0.868 110.9 50.1 -59.6 -36.4 30.1 -79.5 20.0 115 118 A E H <5S+ 0 0 107 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.908 110.4 50.2 -68.4 -40.5 30.2 -82.8 18.2 116 119 A L H <5S+ 0 0 50 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.901 116.1 42.1 -60.3 -42.2 30.0 -81.1 14.8 117 120 A L H <5S- 0 0 11 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.708 106.1-125.0 -77.1 -23.1 32.9 -78.7 15.8 118 121 A G T <5 + 0 0 65 -4,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.763 67.7 128.2 76.7 26.3 35.0 -81.4 17.4 119 122 A C < - 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