==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-DEC-11 4AC1 . COMPND 2 MOLECULE: ENDO-N-ACETYL-BETA-D-GLUCOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HYPOCREA JECORINA; . AUTHOR I.STALS,S.KARKEHABADI,B.DEVREESE,S.KIM,M.WARD,M.SANDGREN . 283 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11460.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 15.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.5 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 26 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 0 0 2 0 1 0 1 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 5 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 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 1 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 5 X D 0 0 153 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 111.4 11.5 41.5 54.6 2 6 X L + 0 0 26 1,-0.1 248,-0.1 2,-0.1 249,-0.1 -0.610 360.0 50.0 -89.2 147.2 7.8 41.3 55.3 3 7 X P S S- 0 0 21 0, 0.0 248,-0.3 0, 0.0 2,-0.2 0.427 74.8-154.1 -85.9 146.2 5.3 41.9 53.8 4 8 X R E -a 251 0A 32 246,-2.4 248,-2.1 245,-0.2 2,-0.5 -0.517 4.3-156.5 -75.8 146.9 6.0 40.0 50.6 5 9 X L E -a 252 0A 2 246,-0.2 29,-2.4 -2,-0.2 30,-1.9 -0.963 20.0-177.2-125.0 113.8 4.4 41.0 47.4 6 10 X I E -ab 253 35A 0 246,-2.6 248,-1.8 -2,-0.5 2,-0.5 -0.916 11.8-167.5-121.1 131.8 4.3 38.0 45.1 7 11 X V E -ab 254 36A 4 28,-2.0 30,-2.7 -2,-0.4 2,-0.4 -0.986 14.4-142.7-123.2 124.6 3.0 37.9 41.5 8 12 X Y E - b 0 37A 2 246,-2.3 249,-2.6 -2,-0.5 2,-0.5 -0.729 12.0-162.9 -81.0 134.8 2.4 34.7 39.6 9 13 X F E + b 0 38A 1 28,-3.0 30,-2.0 -2,-0.4 3,-0.1 -0.880 35.4 137.0-125.2 88.0 3.3 34.9 35.9 10 14 X Q + 0 0 53 -2,-0.5 2,-0.7 28,-0.2 -1,-0.1 0.810 59.1 66.9 -99.9 -48.1 1.6 32.1 33.9 11 15 X T + 0 0 37 1,-0.2 247,-0.3 41,-0.1 -1,-0.2 -0.729 59.2 167.9 -80.1 113.0 0.3 33.8 30.8 12 16 X T + 0 0 13 -2,-0.7 8,-2.9 1,-0.1 2,-0.3 0.544 56.4 42.6-108.4 -15.4 3.6 34.8 29.1 13 17 X H B S-L 19 0B 25 6,-0.3 -1,-0.1 8,-0.0 2,-0.0 -0.967 76.8-123.6-137.0 148.4 2.4 35.9 25.6 14 18 X D > - 0 0 45 4,-2.8 3,-2.5 -2,-0.3 -2,-0.1 -0.160 44.9 -81.5 -85.8-177.7 -0.6 37.9 24.4 15 19 X S T 3 S+ 0 0 127 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.677 132.2 53.4 -59.7 -20.2 -3.4 37.0 22.0 16 20 X S T 3 S- 0 0 77 2,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.181 120.8-109.6 -96.4 13.3 -1.1 37.8 19.1 17 21 X N S < S+ 0 0 107 -3,-2.5 -2,-0.1 1,-0.2 3,-0.0 0.742 73.0 141.6 61.4 27.5 1.6 35.5 20.5 18 22 X R - 0 0 149 1,-0.1 -4,-2.8 -4,-0.0 -1,-0.2 -0.808 60.0 -98.1 -95.6 139.5 3.8 38.4 21.5 19 23 X P B -L 13 0B 58 0, 0.0 2,-0.6 0, 0.0 -6,-0.3 -0.251 29.1-135.3 -54.8 138.9 5.8 38.2 24.8 20 24 X I - 0 0 29 -8,-2.9 2,-0.2 -6,-0.0 238,-0.1 -0.885 25.3-127.7 -92.0 120.8 4.2 40.0 27.7 21 25 X S - 0 0 43 -2,-0.6 4,-0.1 1,-0.1 43,-0.1 -0.523 17.2-163.9 -72.1 137.5 6.9 41.9 29.5 22 26 X M S > S+ 0 0 0 -2,-0.2 3,-1.4 1,-0.1 4,-0.2 0.536 72.3 91.1 -87.3 -9.7 7.3 41.4 33.2 23 27 X L T >> + 0 0 39 1,-0.3 3,-2.3 2,-0.2 4,-1.6 0.720 64.3 73.0 -68.3 -25.6 9.4 44.6 33.5 24 28 X P H 3> S+ 0 0 21 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.816 86.6 70.4 -57.6 -23.7 6.7 47.1 34.2 25 29 X L H <4 S+ 0 0 2 -3,-1.4 8,-0.4 1,-0.2 -2,-0.2 0.701 112.2 27.6 -64.1 -19.8 6.6 45.5 37.7 26 30 X I H <4 S+ 0 0 52 -3,-2.3 -1,-0.2 -4,-0.2 -3,-0.1 0.536 124.2 47.9-113.4 -13.7 10.0 47.1 38.4 27 31 X T H < S+ 0 0 98 -4,-1.6 -2,-0.2 2,-0.1 2,-0.1 0.791 91.0 82.7 -99.7 -33.0 9.9 50.2 36.1 28 32 X E S < S- 0 0 59 -4,-2.2 3,-0.5 -5,-0.2 2,-0.0 -0.434 90.9 -97.7 -72.5 148.6 6.5 51.7 36.9 29 33 X K S S+ 0 0 137 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.278 94.0 22.1 -74.4 150.0 6.4 53.8 40.1 30 34 X G S S+ 0 0 44 1,-0.2 2,-0.4 -4,-0.1 -1,-0.2 0.804 80.7 132.5 75.4 34.3 5.3 52.7 43.5 31 35 X I - 0 0 29 -3,-0.5 2,-0.3 245,-0.1 -1,-0.2 -0.972 33.9-173.7-120.6 129.4 5.8 49.0 43.3 32 36 X A + 0 0 22 -2,-0.4 2,-0.3 240,-0.4 -27,-0.1 -0.557 18.7 174.2-116.2 63.7 7.5 46.9 46.0 33 37 X L + 0 0 16 -8,-0.4 -27,-0.2 -2,-0.3 3,-0.1 -0.575 10.0 174.9 -70.7 127.0 7.5 43.5 44.2 34 38 X T + 0 0 28 -29,-2.4 43,-2.6 -2,-0.3 2,-0.3 0.743 63.6 24.0-101.2 -30.4 9.5 41.0 46.3 35 39 X H E -bc 6 77A 15 -30,-1.9 -28,-2.0 41,-0.2 2,-0.5 -0.999 52.4-165.3-142.4 137.3 8.9 37.8 44.3 36 40 X L E -bc 7 78A 0 41,-2.4 43,-2.7 -2,-0.3 2,-0.7 -0.992 15.6-156.4-120.1 122.4 8.0 36.9 40.7 37 41 X I E -bc 8 79A 0 -30,-2.7 -28,-3.0 -2,-0.5 2,-0.4 -0.887 3.6-153.6-107.8 106.1 6.8 33.2 40.2 38 42 X V E -bc 9 80A 0 41,-2.9 43,-1.7 -2,-0.7 3,-0.3 -0.653 37.9-121.6 -76.6 129.5 7.3 31.9 36.7 39 43 X C E + 0 0 0 -30,-2.0 43,-0.1 -2,-0.4 12,-0.1 -0.937 49.6 7.7-157.6 168.3 4.7 29.2 36.1 40 44 X S E - 0 0 1 41,-0.4 12,-2.7 -2,-0.3 -1,-0.2 0.395 48.4-178.8-103.2 126.4 3.4 26.6 35.5 41 45 X F E -Dc 51 82A 1 40,-3.0 42,-2.4 -3,-0.3 2,-0.4 -0.530 14.4-157.2 -71.4 144.1 6.1 24.0 35.2 42 46 X H E -D 50 0A 32 8,-2.7 8,-2.1 40,-0.2 2,-0.6 -0.997 12.3-148.4-130.9 126.0 4.8 20.5 34.3 43 47 X I - 0 0 0 -2,-0.4 2,-0.5 6,-0.2 6,-0.1 -0.860 23.5-159.5 -90.9 123.6 6.5 17.1 35.0 44 48 X N > - 0 0 57 -2,-0.6 3,-2.5 45,-0.1 45,-0.1 -0.929 18.8-121.4-114.8 119.6 5.4 14.8 32.2 45 49 X Q T 3 S+ 0 0 134 -2,-0.5 3,-0.1 1,-0.3 49,-0.1 -0.336 102.9 4.0 -51.9 128.3 5.6 11.0 32.4 46 50 X G T 3 S+ 0 0 73 1,-0.2 -1,-0.3 -2,-0.0 2,-0.1 0.492 126.5 78.6 71.8 2.9 7.8 9.8 29.5 47 51 X G S < S- 0 0 27 -3,-2.5 2,-0.3 1,-0.0 -1,-0.2 -0.391 81.1 -91.0-123.1-163.4 8.6 13.4 28.6 48 52 X V - 0 0 81 -2,-0.1 -6,-0.1 -3,-0.1 58,-0.0 -0.818 53.0 -81.3-111.7 158.9 10.6 16.5 29.5 49 53 X V - 0 0 11 -2,-0.3 2,-0.4 -6,-0.1 -6,-0.2 -0.312 48.5-160.6 -56.0 134.1 9.7 19.3 31.8 50 54 X H E -D 42 0A 52 -8,-2.1 -8,-2.7 5,-0.2 2,-0.7 -0.926 20.3-145.6-114.0 147.3 7.5 21.9 30.2 51 55 X L E > S-DE 41 54A 0 3,-3.3 3,-1.7 -2,-0.4 -10,-0.2 -0.970 79.1 -53.8-102.0 107.1 6.8 25.5 31.1 52 56 X N T 3 S- 0 0 27 -12,-2.7 -12,-0.1 -2,-0.7 -10,-0.1 -0.403 127.5 -7.1 54.2-118.7 3.2 25.7 30.0 53 57 X D T 3 S+ 0 0 141 -2,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.458 130.3 42.0 -90.7 -0.7 3.1 24.6 26.4 54 58 X F B < S-E 51 0A 73 -3,-1.7 -3,-3.3 4,-0.1 0, 0.0 -0.968 90.8 -91.1-140.8 153.5 6.9 24.3 25.6 55 59 X P > - 0 0 32 0, 0.0 3,-2.2 0, 0.0 6,-0.2 -0.383 47.8-114.8 -56.5 144.2 10.1 23.1 27.2 56 60 X P T 3 S+ 0 0 8 0, 0.0 9,-0.1 0, 0.0 5,-0.1 0.725 114.2 59.0 -63.4 -19.8 11.5 26.1 29.1 57 61 X D T 3 S+ 0 0 110 3,-0.1 -7,-0.0 2,-0.0 5,-0.0 0.406 81.8 119.0 -87.1 2.9 14.6 26.2 26.9 58 62 X D S X S- 0 0 48 -3,-2.2 3,-2.3 1,-0.1 4,-0.1 -0.329 81.1-114.0 -65.1 146.5 12.4 26.8 23.8 59 63 X P G > S+ 0 0 76 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.784 111.3 78.9 -50.0 -28.3 12.7 30.0 21.8 60 64 X H G 3 S+ 0 0 37 1,-0.3 4,-0.3 -5,-0.1 3,-0.2 0.799 98.4 41.8 -47.7 -31.9 9.2 30.8 23.0 61 65 X F G <> S+ 0 0 2 -3,-2.3 4,-2.5 -6,-0.2 5,-0.3 0.232 78.1 106.2-108.7 14.8 10.8 31.8 26.3 62 66 X Y H <> S+ 0 0 137 -3,-2.0 4,-2.0 1,-0.2 5,-0.2 0.909 86.5 45.1 -57.8 -44.7 13.9 33.8 25.2 63 67 X T H > S+ 0 0 60 -4,-0.4 4,-2.5 -3,-0.2 5,-0.2 0.947 112.6 52.3 -65.1 -48.2 12.3 37.1 26.2 64 68 X L H > S+ 0 0 10 -4,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.942 112.6 42.0 -52.8 -55.3 11.0 35.7 29.5 65 69 X W H X S+ 0 0 30 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.875 112.8 53.8 -69.2 -35.5 14.4 34.4 30.7 66 70 X N H >X S+ 0 0 109 -4,-2.0 4,-0.8 -5,-0.3 3,-0.7 0.915 109.0 49.8 -60.1 -41.6 16.3 37.4 29.5 67 71 X E H 3X S+ 0 0 24 -4,-2.5 4,-2.2 1,-0.2 3,-0.3 0.837 97.6 68.2 -66.4 -32.6 13.9 39.7 31.5 68 72 X T H 3X S+ 0 0 4 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.839 94.2 57.9 -59.9 -29.9 14.4 37.6 34.7 69 73 X I H S+ 0 0 0 -4,-2.2 5,-2.1 2,-0.2 4,-0.3 0.935 109.4 48.0 -60.3 -46.2 14.2 41.5 37.6 72 76 X K H ><5S+ 0 0 49 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.905 106.5 57.1 -62.9 -39.8 16.8 40.0 39.8 73 77 X Q H 3<5S+ 0 0 171 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.864 103.5 54.2 -56.4 -37.2 19.0 43.1 39.4 74 78 X A T 3<5S- 0 0 60 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.535 128.7 -99.1 -76.4 -4.9 16.2 45.2 40.7 75 79 X G T < 5S+ 0 0 50 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.457 77.3 138.0 102.6 2.0 16.0 43.0 43.8 76 80 X V < - 0 0 4 -5,-2.1 2,-0.6 -6,-0.2 -1,-0.3 -0.589 51.6-130.9 -77.8 138.8 13.1 40.7 42.9 77 81 X K E -c 35 0A 98 -43,-2.6 -41,-2.4 -2,-0.3 2,-0.6 -0.831 19.9-148.1 -88.8 125.2 13.5 37.0 43.7 78 82 X V E +c 36 0A 1 -2,-0.6 42,-3.2 -43,-0.2 43,-0.4 -0.864 25.5 169.2-100.6 120.7 12.6 35.0 40.7 79 83 X M E -c 37 0A 0 -43,-2.7 -41,-2.9 -2,-0.6 2,-0.3 -0.707 25.1-132.6-118.4 168.1 11.0 31.6 41.5 80 84 X G E -cf 38 122A 0 41,-2.1 43,-2.6 -2,-0.2 2,-0.4 -0.785 10.4-148.2-109.6 164.7 9.3 28.8 39.6 81 85 X M E - f 0 123A 0 -43,-1.7 -40,-3.0 -2,-0.3 2,-0.4 -0.994 8.6-162.2-128.0 136.9 6.1 27.0 40.4 82 86 X V E +cf 41 124A 0 41,-2.5 43,-2.1 -2,-0.4 2,-0.5 -0.940 60.2 15.8-113.4 140.6 5.5 23.4 39.4 83 87 X G E > + f 0 125A 0 -42,-2.4 3,-0.5 -2,-0.4 43,-0.2 -0.910 60.4 144.5 109.0-120.2 2.0 21.9 39.4 84 88 X G T 3 S- 0 0 1 41,-2.8 43,-0.5 -2,-0.5 5,-0.1 -0.447 77.2 -19.0 73.2-150.7 -1.2 24.0 39.4 85 89 X A T 3 S+ 0 0 75 -2,-0.1 -1,-0.2 41,-0.1 41,-0.0 0.807 113.0 84.7 -62.8 -37.8 -4.3 23.0 37.4 86 90 X A S < S- 0 0 41 -3,-0.5 3,-0.5 1,-0.1 41,-0.1 -0.556 76.7-136.4 -75.5 119.4 -2.7 20.5 35.0 87 91 X P S S+ 0 0 101 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.341 70.9 71.4 -70.1 156.1 -2.5 17.0 36.6 88 92 X G + 0 0 18 -44,-0.1 3,-0.3 -46,-0.0 7,-0.2 0.118 69.1 84.1 133.1 -22.0 0.6 14.9 36.2 89 93 X S S S+ 0 0 2 -3,-0.5 6,-1.0 1,-0.2 -45,-0.1 0.729 99.5 33.8 -83.5 -22.3 3.4 16.4 38.3 90 94 X F S S+ 0 0 3 4,-0.1 41,-0.2 5,-0.1 -1,-0.2 0.085 92.5 107.5-125.6 20.0 2.6 14.9 41.7 91 95 X N S > >S- 0 0 54 -3,-0.3 5,-2.4 39,-0.1 3,-1.5 -0.334 85.7 -91.9 -96.9 179.7 1.2 11.5 40.9 92 96 X T T 3 5S+ 0 0 75 1,-0.3 7,-0.3 4,-0.2 -1,-0.1 0.566 122.6 60.6 -69.2 -8.0 2.5 7.9 41.3 93 97 X Q T 3 5S+ 0 0 82 4,-0.1 -1,-0.3 -5,-0.1 -4,-0.0 0.633 122.1 9.9 -88.1 -18.8 3.9 8.0 37.7 94 98 X T T X 5S- 0 0 0 -3,-1.5 3,-1.8 -49,-0.1 12,-0.2 0.264 133.1 -2.0-127.9-110.0 6.2 11.0 38.5 95 99 X L T 3 5S+ 0 0 0 -6,-1.0 -3,-0.2 1,-0.3 -5,-0.1 0.645 130.7 51.4 -76.4 -12.1 7.1 12.8 41.8 96 100 X D T 3 S- 0 0 84 -7,-0.3 4,-2.6 1,-0.2 3,-0.3 -0.859 71.8-150.6 -93.1 115.2 9.9 3.4 42.3 100 104 X S H > S+ 0 0 84 -2,-0.7 4,-3.0 1,-0.2 5,-0.2 0.876 94.4 49.3 -55.6 -45.8 13.2 5.0 43.3 101 105 X A H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.878 110.9 50.8 -62.9 -39.7 14.6 5.2 39.8 102 106 X T H > S+ 0 0 43 -3,-0.3 4,-2.3 2,-0.2 5,-0.3 0.952 112.3 46.7 -61.8 -51.1 11.4 6.8 38.5 103 107 X F H X S+ 0 0 3 -4,-2.6 4,-3.3 1,-0.2 5,-0.4 0.949 112.6 49.4 -54.9 -50.8 11.4 9.4 41.3 104 108 X E H X S+ 0 0 77 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.864 110.3 52.5 -56.8 -38.9 15.1 10.2 40.8 105 109 X H H X S+ 0 0 98 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.952 117.2 34.7 -63.5 -51.8 14.5 10.6 37.0 106 110 X Y H X S+ 0 0 19 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.894 118.4 51.2 -75.6 -39.6 11.6 13.1 37.4 107 111 X Y H X S+ 0 0 0 -4,-3.3 4,-3.0 -5,-0.3 5,-0.2 0.922 107.0 56.3 -58.1 -42.8 13.1 14.8 40.4 108 112 X G H X S+ 0 0 6 -4,-2.2 4,-2.8 -5,-0.4 -2,-0.2 0.884 104.6 52.6 -58.7 -38.7 16.4 15.2 38.5 109 113 X Q H X S+ 0 0 34 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.907 110.7 46.6 -61.8 -43.0 14.5 17.0 35.7 110 114 X L H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.944 113.8 47.8 -64.0 -47.4 13.0 19.4 38.2 111 115 X R H X S+ 0 0 74 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.923 111.8 51.0 -57.3 -47.5 16.4 20.0 39.9 112 116 X D H X S+ 0 0 73 -4,-2.8 4,-3.0 -5,-0.2 -1,-0.2 0.850 108.8 50.9 -60.5 -38.3 18.0 20.5 36.4 113 117 X A H X S+ 0 0 8 -4,-2.0 4,-2.4 2,-0.2 6,-0.3 0.917 107.9 52.6 -68.0 -42.2 15.4 23.0 35.4 114 118 X I H <>S+ 0 0 3 -4,-2.3 5,-1.9 1,-0.2 4,-0.3 0.919 115.8 40.8 -56.7 -45.0 16.0 25.0 38.6 115 119 X V H ><5S+ 0 0 84 -4,-2.1 3,-0.9 3,-0.2 -2,-0.2 0.949 116.0 48.9 -67.7 -49.6 19.8 25.1 37.9 116 120 X N H 3<5S+ 0 0 114 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.812 117.7 39.1 -65.0 -32.5 19.4 25.7 34.1 117 121 X F T 3<5S- 0 0 33 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.341 107.0-124.8-104.5 7.5 17.0 28.6 34.5 118 122 X Q T < 5 + 0 0 128 -3,-0.9 -3,-0.2 -4,-0.3 -40,-0.2 0.846 42.4 179.2 57.3 43.9 18.7 30.0 37.5 119 123 X L < - 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