==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-JAN-07 2JFE . COMPND 2 MOLECULE: CYTOSOLIC BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.CZJZEK,S.TRIBOLO,J.G.BERRIN,P.A.KROON,N.JUGE . 459 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 3.1 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 . 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 . 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 . 28 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.1 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 3 1 0 2 2 1 0 1 1 1 1 0 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 2 2 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 PARALLEL BRIDGES PER LADDER . 1 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 3 X F 0 0 35 0, 0.0 409,-0.1 0, 0.0 398,-0.1 0.000 360.0 360.0 360.0 91.6 44.4 73.4 33.0 2 4 X P > + 0 0 48 0, 0.0 3,-1.5 0, 0.0 397,-0.0 0.107 360.0 18.2 -94.5-148.2 42.2 76.2 34.2 3 5 X A T 3 S- 0 0 96 1,-0.3 407,-0.0 -2,-0.0 0, 0.0 0.375 121.8 -45.4 24.0-138.9 40.7 77.2 37.7 4 6 X G T 3 S- 0 0 78 406,-0.0 -1,-0.3 2,-0.0 406,-0.0 -0.472 85.6-165.4-107.5 50.9 42.4 75.6 40.7 5 7 X F < - 0 0 11 -3,-1.5 2,-0.5 1,-0.1 406,-0.2 0.059 13.8-121.9 -44.5 143.0 42.3 72.4 38.7 6 8 X G E -a 411 0A 2 404,-2.8 406,-2.4 64,-0.1 2,-0.5 -0.797 22.8-170.9 -95.2 126.9 42.9 69.1 40.6 7 9 X W E +a 412 0A 13 -2,-0.5 63,-1.9 404,-0.2 64,-1.8 -0.980 22.8 158.3-113.1 131.2 45.7 66.7 39.6 8 10 X A E -ab 413 71A 0 404,-2.3 406,-3.5 -2,-0.5 2,-0.4 -0.932 34.6-139.3-147.8 163.0 45.6 63.4 41.3 9 11 X A E -ab 414 72A 0 62,-0.6 64,-1.8 -2,-0.3 2,-0.3 -0.994 24.0-138.3-128.0 137.4 46.8 59.8 41.2 10 12 X A E + b 0 73A 0 404,-2.3 407,-1.3 -2,-0.4 406,-0.4 -0.731 19.0 177.6 -98.4 146.2 44.6 56.8 42.2 11 13 X T - 0 0 5 62,-2.7 2,-0.3 -2,-0.3 409,-0.0 -0.738 18.5-140.5-118.7 175.3 45.3 53.6 44.2 12 14 X A >> - 0 0 0 -2,-0.2 4,-1.3 1,-0.2 3,-1.0 -0.967 18.4-120.4-145.4 137.0 42.9 50.8 45.1 13 15 X A H >> S+ 0 0 1 -2,-0.3 4,-2.4 1,-0.3 3,-0.8 0.810 108.7 34.2 -37.3 -60.4 42.6 48.8 48.4 14 16 X Y H 34 S+ 0 0 12 104,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.784 114.7 58.1 -73.0 -24.9 43.2 45.3 47.1 15 17 X Q H <4 S+ 0 0 2 -3,-1.0 406,-2.3 1,-0.1 -1,-0.2 0.683 126.8 10.9 -80.0 -17.8 45.6 46.3 44.4 16 18 X V H << S+ 0 0 5 -4,-1.3 37,-3.0 -3,-0.8 38,-0.2 0.565 108.8 76.2-133.4 -19.4 48.1 47.9 46.8 17 19 X E < - 0 0 9 -4,-2.4 37,-3.0 -5,-0.4 38,-0.4 0.935 55.2-177.5 -75.1 -51.0 47.4 47.2 50.4 18 20 X G + 0 0 4 29,-0.4 31,-0.3 -5,-0.3 30,-0.1 -0.370 47.9 103.4 68.5-165.2 48.4 43.7 51.4 19 21 X G > + 0 0 18 29,-1.1 3,-2.8 1,-0.1 6,-0.2 0.811 43.0 168.9 62.8 31.9 47.6 42.7 55.0 20 22 X W T 3 S+ 0 0 65 28,-0.7 -1,-0.1 1,-0.3 8,-0.1 0.742 82.1 21.3 -51.3 -28.9 44.7 40.6 53.6 21 23 X D T 3 S+ 0 0 101 27,-0.2 3,-0.4 6,-0.1 2,-0.4 -0.006 98.5 131.8-127.5 29.9 44.4 39.0 57.0 22 24 X A S X S- 0 0 25 -3,-2.8 3,-1.4 1,-0.2 4,-0.0 -0.658 72.4 -9.9 -86.4 134.2 46.1 41.6 59.1 23 25 X D T 3 S- 0 0 87 -2,-0.4 70,-0.3 1,-0.3 71,-0.2 0.745 132.7 -39.1 63.1 32.5 44.7 43.0 62.3 24 26 X G T 3 S+ 0 0 41 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.441 89.5 156.7 101.5 0.2 41.2 41.6 62.2 25 27 X K < - 0 0 19 -3,-1.4 -1,-0.3 -6,-0.2 55,-0.2 -0.355 35.2-136.3 -68.6 135.7 40.5 41.9 58.5 26 28 X G - 0 0 7 53,-2.8 58,-0.1 1,-0.1 -4,-0.1 -0.537 32.4 -90.3 -84.8 155.7 37.9 39.6 57.0 27 29 X P - 0 0 65 0, 0.0 96,-2.2 0, 0.0 97,-0.4 -0.407 39.9-156.9 -66.9 142.8 38.5 37.8 53.7 28 30 X C B > -J 122 0B 2 94,-0.3 4,-1.6 95,-0.1 5,-0.1 -0.537 35.7 -93.6-106.5-180.0 37.3 39.7 50.6 29 31 X V H > S+ 0 0 6 92,-2.1 4,-2.6 1,-0.2 5,-0.1 0.786 123.7 53.7 -72.6 -27.6 36.5 38.0 47.3 30 32 X W H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 5,-0.4 0.844 103.4 58.7 -74.3 -32.6 39.9 38.4 45.7 31 33 X D H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.978 113.8 37.2 -53.3 -54.9 41.4 36.7 48.8 32 34 X T H X S+ 0 0 45 -4,-1.6 4,-1.0 2,-0.2 -2,-0.2 0.893 118.7 50.9 -66.0 -38.8 39.2 33.7 48.0 33 35 X F H >< S+ 0 0 6 -4,-2.6 3,-1.1 1,-0.2 4,-0.3 0.978 113.5 40.9 -65.6 -57.6 39.7 34.0 44.3 34 36 X T H >< S+ 0 0 6 -4,-2.7 3,-1.0 1,-0.3 -1,-0.2 0.803 110.6 58.5 -65.2 -30.2 43.5 34.3 44.1 35 37 X H H 3< S+ 0 0 84 -4,-1.6 -1,-0.3 -5,-0.4 -2,-0.2 0.772 95.9 66.3 -69.7 -21.0 44.0 31.6 46.8 36 38 X Q T << S- 0 0 117 -3,-1.1 -1,-0.2 -4,-1.0 -2,-0.2 0.574 86.4-163.7 -75.0 -12.5 42.0 29.1 44.6 37 39 X G X + 0 0 19 -3,-1.0 3,-0.6 -4,-0.3 -1,-0.2 -0.279 37.2 134.1 58.7-138.2 44.7 29.0 41.8 38 40 X G T 3 S- 0 0 54 1,-0.2 3,-0.3 2,-0.1 6,-0.1 -0.450 88.6 -68.5 71.5-167.3 43.8 27.6 38.4 39 41 X E T 3 S+ 0 0 186 1,-0.2 -1,-0.2 -2,-0.1 4,-0.1 -0.009 100.1 118.6-113.7 38.9 45.2 30.0 35.9 40 42 X R S < S+ 0 0 87 -3,-0.6 2,-0.4 -7,-0.1 -1,-0.2 0.882 76.6 40.6 -71.5 -41.5 42.8 32.7 36.7 41 43 X V S > S- 0 0 4 -3,-0.3 3,-2.4 -8,-0.1 384,-0.2 -0.878 106.5 -92.2-104.5 140.6 45.5 35.1 37.8 42 44 X F G > S- 0 0 95 382,-3.1 3,-2.4 -2,-0.4 385,-0.2 -0.261 109.9 -10.4 -42.4 125.6 48.8 35.4 35.9 43 45 X K G 3 S- 0 0 170 1,-0.3 -1,-0.3 -4,-0.1 -4,-0.1 0.603 117.3 -78.5 51.2 17.4 51.2 32.9 37.5 44 46 X N G < S+ 0 0 79 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.804 79.6 170.8 62.3 31.0 48.7 32.4 40.4 45 47 X Q < - 0 0 42 -3,-2.4 2,-0.3 379,-0.1 -1,-0.2 -0.349 14.0-161.5 -70.6 152.9 49.8 35.7 41.9 46 48 X T - 0 0 37 -11,-0.0 4,-0.4 -2,-0.0 3,-0.3 -0.811 29.8-122.2-126.4 166.7 47.8 37.1 44.8 47 49 X G S S+ 0 0 1 -2,-0.3 -29,-0.4 1,-0.2 -27,-0.2 -0.126 71.2 123.0 -94.9 30.7 47.4 40.5 46.5 48 50 X D S S+ 0 0 48 1,-0.1 -29,-1.1 -30,-0.1 -28,-0.7 0.805 98.8 0.3 -56.0 -32.1 48.5 39.1 49.9 49 51 X V S > S+ 0 0 71 -3,-0.3 3,-2.9 -31,-0.3 4,-0.3 0.602 86.4 159.4-124.1 -42.6 51.3 41.7 50.0 50 52 X A T 3 S- 0 0 0 -4,-0.4 -34,-0.2 1,-0.3 -33,-0.1 -0.243 83.2 -18.9 43.2-126.4 50.9 43.7 46.8 51 53 X C T 3 S- 0 0 0 -36,-0.2 -1,-0.3 -35,-0.1 -34,-0.1 0.443 87.6-121.7 -84.0 0.4 52.6 47.1 47.4 52 54 X G X> + 0 0 8 -3,-2.9 4,-2.2 1,-0.1 3,-2.0 0.731 59.5 153.2 58.2 28.1 52.5 46.6 51.1 53 55 X S T 34 + 0 0 1 -37,-3.0 -36,-0.2 1,-0.3 -35,-0.2 0.685 61.7 65.4 -63.5 -16.7 50.6 49.8 51.4 54 56 X Y T 34 S+ 0 0 31 -37,-3.0 -1,-0.3 -5,-0.2 3,-0.1 0.754 119.1 26.0 -71.0 -19.8 48.8 48.8 54.6 55 57 X T T <4 S+ 0 0 98 -3,-2.0 -2,-0.2 -38,-0.4 3,-0.2 0.639 125.4 44.6-114.7 -25.5 52.3 48.8 56.2 56 58 X L X + 0 0 45 -4,-2.2 4,-0.9 -39,-0.2 3,-0.3 -0.354 65.1 136.8-120.6 49.7 54.4 51.3 54.1 57 59 X W H > + 0 0 9 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.860 67.5 60.2 -71.0 -36.7 51.9 54.1 53.8 58 60 X E H > S+ 0 0 86 1,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.865 99.5 59.3 -58.3 -32.0 54.4 56.9 54.5 59 61 X E H > S+ 0 0 69 -3,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.894 107.6 45.9 -59.8 -39.4 56.3 55.6 51.4 60 62 X D H X S+ 0 0 2 -4,-0.9 4,-2.3 -3,-0.4 -2,-0.2 0.945 110.5 52.1 -68.1 -45.4 53.1 56.4 49.5 61 63 X L H X S+ 0 0 15 -4,-2.6 4,-3.4 1,-0.2 5,-0.2 0.927 105.9 55.5 -53.5 -49.6 52.8 59.8 51.1 62 64 X K H X S+ 0 0 104 -4,-3.2 4,-2.8 1,-0.3 -1,-0.2 0.886 109.9 45.5 -49.4 -49.6 56.3 60.5 50.1 63 65 X C H X S+ 0 0 5 -4,-1.6 4,-2.2 2,-0.2 -1,-0.3 0.859 111.6 52.4 -59.9 -40.7 55.5 59.8 46.4 64 66 X I H X>S+ 0 0 0 -4,-2.3 5,-1.5 1,-0.2 4,-1.0 0.979 113.8 43.3 -63.6 -51.7 52.3 61.8 46.7 65 67 X K H ><5S+ 0 0 102 -4,-3.4 3,-0.6 1,-0.2 -2,-0.2 0.868 110.5 54.9 -56.8 -44.5 54.3 64.7 48.1 66 68 X Q H 3<5S+ 0 0 121 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.859 111.7 45.4 -61.2 -37.0 57.1 64.3 45.5 67 69 X L H 3<5S- 0 0 4 -4,-2.2 -1,-0.3 -3,-0.2 -2,-0.2 0.680 103.4-137.2 -73.7 -20.3 54.4 64.5 42.8 68 70 X G T <<5 - 0 0 38 -4,-1.0 -3,-0.2 -3,-0.6 -61,-0.1 0.899 31.1-171.5 58.7 44.5 52.8 67.5 44.5 69 71 X L < - 0 0 6 -5,-1.5 -61,-0.2 1,-0.2 -1,-0.2 -0.379 26.3-152.5 -68.9 141.1 49.3 66.1 43.9 70 72 X T S S+ 0 0 44 -63,-1.9 41,-2.9 40,-0.1 2,-0.3 0.774 84.3 18.1 -77.0 -27.5 46.5 68.5 44.7 71 73 X H E -bc 8 111A 30 -64,-1.8 -62,-0.6 39,-0.3 2,-0.3 -0.849 64.4-152.4-134.9 166.3 44.4 65.4 45.3 72 74 X Y E -bc 9 112A 5 39,-2.0 41,-2.6 -2,-0.3 2,-0.6 -0.943 8.6-153.4-147.0 125.1 44.7 61.6 46.0 73 75 X R E +bc 10 113A 0 -64,-1.8 -62,-2.7 -2,-0.3 2,-0.3 -0.865 27.9 151.3-100.7 120.5 42.3 58.9 45.1 74 76 X F E - c 0 114A 5 39,-2.0 41,-2.6 -2,-0.6 2,-0.3 -0.869 33.3-125.7-131.5 173.1 42.3 55.7 47.2 75 77 X S E - c 0 115A 1 -2,-0.3 2,-0.4 39,-0.2 41,-0.2 -0.852 17.0-121.7-117.5 159.1 39.6 53.1 48.2 76 78 X L - 0 0 0 39,-2.7 2,-1.1 -2,-0.3 42,-0.3 -0.792 24.4-123.1 -98.0 139.7 38.4 51.8 51.5 77 79 X S >> - 0 0 3 -2,-0.4 4,-3.0 1,-0.2 3,-1.2 -0.709 17.9-162.4 -84.0 103.0 38.6 48.1 52.2 78 80 X W H 3> S+ 0 0 0 -2,-1.1 4,-3.7 38,-0.3 7,-0.2 0.929 93.7 42.1 -48.9 -49.6 35.0 47.0 53.1 79 81 X S H 34 S+ 0 0 0 41,-0.4 -53,-2.8 2,-0.2 -1,-0.3 0.573 111.6 55.7 -78.9 -9.5 36.3 43.8 54.7 80 82 X R H <4 S+ 0 0 1 -3,-1.2 14,-0.4 -55,-0.2 -2,-0.2 0.872 119.5 32.6 -80.3 -44.5 39.2 45.6 56.5 81 83 X L H < S+ 0 0 0 -4,-3.0 10,-2.4 1,-0.2 -2,-0.2 0.963 137.3 22.7 -72.5 -53.7 36.7 48.0 58.1 82 84 X L S >< S- 0 0 0 -4,-3.7 3,-2.8 -5,-0.3 -1,-0.2 -0.807 72.2-168.2-120.0 87.5 33.8 45.6 58.5 83 85 X P T 3 S+ 0 0 12 0, 0.0 41,-0.3 0, 0.0 -1,-0.1 0.763 90.1 33.5 -50.5 -35.8 35.2 42.0 58.5 84 86 X D T 3 S- 0 0 58 5,-0.4 3,-0.1 2,-0.3 -5,-0.1 0.195 119.2-106.4-104.4 10.7 31.8 40.2 58.1 85 87 X G S < S+ 0 0 2 -3,-2.8 2,-0.2 1,-0.2 58,-0.1 0.101 90.1 86.1 91.7 -21.7 30.4 43.0 56.0 86 88 X T S > S- 0 0 66 3,-0.1 3,-0.9 1,-0.1 -2,-0.3 -0.579 86.3-112.9-110.0 171.9 28.0 44.5 58.6 87 89 X T T 3 S+ 0 0 64 1,-0.2 3,-0.2 -2,-0.2 -1,-0.1 0.542 96.8 94.9 -81.7 -3.3 28.5 47.1 61.3 88 90 X G T 3 S+ 0 0 69 1,-0.2 2,-0.3 -6,-0.1 -1,-0.2 0.650 94.7 31.3 -58.5 -17.8 27.9 44.3 63.8 89 91 X F S < S- 0 0 113 -3,-0.9 2,-0.4 2,-0.0 -5,-0.4 -0.856 77.4-168.8-147.9 107.2 31.7 44.0 64.1 90 92 X I - 0 0 80 -2,-0.3 2,-1.0 -3,-0.2 -8,-0.2 -0.843 15.2-142.9-102.6 130.5 33.9 47.0 63.6 91 93 X N >> - 0 0 12 -10,-2.4 4,-1.4 -2,-0.4 3,-0.8 -0.764 9.7-168.8 -95.8 96.4 37.7 46.8 63.1 92 94 X Q H 3> S+ 0 0 102 -2,-1.0 4,-3.0 1,-0.2 5,-0.2 0.787 85.6 60.0 -52.1 -31.9 39.3 49.8 64.9 93 95 X K H 3> S+ 0 0 103 -70,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.879 103.6 50.3 -66.9 -41.6 42.7 49.0 63.3 94 96 X G H <> S+ 0 0 0 -3,-0.8 4,-1.9 -14,-0.4 -1,-0.2 0.860 112.1 49.0 -55.1 -39.8 41.1 49.5 59.8 95 97 X I H X S+ 0 0 14 -4,-1.4 4,-2.9 1,-0.2 -2,-0.2 0.965 108.6 51.1 -71.5 -52.2 39.7 52.8 61.1 96 98 X D H X S+ 0 0 86 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.844 110.6 53.2 -48.5 -39.6 43.0 54.0 62.5 97 99 X Y H X S+ 0 0 27 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.924 112.0 38.5 -69.9 -50.4 44.6 53.2 59.2 98 100 X Y H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.890 112.8 59.6 -71.6 -33.0 42.4 55.2 56.9 99 101 X N H X S+ 0 0 31 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.904 105.8 49.6 -57.0 -39.8 42.2 57.9 59.5 100 102 X K H X S+ 0 0 100 -4,-1.8 4,-2.9 -5,-0.2 5,-0.3 0.896 108.6 50.3 -64.8 -45.3 46.0 58.2 59.1 101 103 X I H X S+ 0 0 6 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.963 115.3 44.6 -54.3 -51.9 46.0 58.4 55.3 102 104 X I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.913 115.0 46.6 -60.8 -47.5 43.3 61.1 55.5 103 105 X D H X S+ 0 0 73 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.953 114.5 47.0 -64.9 -47.9 45.0 63.1 58.3 104 106 X D H X S+ 0 0 15 -4,-2.9 4,-1.2 1,-0.2 6,-0.2 0.930 112.1 52.2 -56.9 -44.7 48.4 62.9 56.6 105 107 X L H <>S+ 0 0 0 -4,-3.0 5,-2.4 -5,-0.3 3,-0.3 0.900 111.0 46.0 -58.5 -42.7 46.8 63.9 53.3 106 108 X L H ><5S+ 0 0 73 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.841 108.3 55.3 -71.2 -34.7 45.1 67.0 54.9 107 109 X K H 3<5S+ 0 0 167 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.688 108.6 49.1 -74.1 -18.7 48.3 68.2 56.7 108 110 X N T 3<5S- 0 0 61 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.284 120.0-112.0 -96.0 7.5 50.2 68.2 53.4 109 111 X G T < 5S+ 0 0 62 -3,-1.2 2,-0.4 1,-0.3 -3,-0.2 0.634 72.3 137.3 75.5 16.0 47.4 70.2 51.8 110 112 X V < - 0 0 6 -5,-2.4 -39,-0.3 -6,-0.2 -1,-0.3 -0.811 51.4-130.6 -94.2 134.9 46.3 67.3 49.5 111 113 X T E -c 71 0A 54 -41,-2.9 -39,-2.0 -2,-0.4 2,-0.1 -0.736 20.9-133.3 -91.6 122.0 42.5 66.7 49.1 112 114 X P E -c 72 0A 2 0, 0.0 2,-0.4 0, 0.0 45,-0.4 -0.427 13.5-163.4 -73.7 143.5 41.4 63.0 49.5 113 115 X I E -c 73 0A 0 -41,-2.6 -39,-2.0 -2,-0.1 2,-0.6 -0.970 16.9-156.8-124.0 115.7 39.0 61.2 47.1 114 116 X V E -cd 74 158A 0 43,-2.3 45,-2.5 -2,-0.4 2,-0.4 -0.829 14.0-163.5-111.4 115.1 37.5 58.1 48.6 115 117 X T E -cd 75 159A 0 -41,-2.6 -39,-2.7 -2,-0.6 45,-0.2 -0.773 5.0-163.5 -82.0 129.7 36.1 55.1 46.8 116 118 X L E S+ 0 0 0 43,-1.9 2,-0.4 44,-0.5 -38,-0.3 0.862 77.5 24.1 -81.5 -38.5 34.0 53.0 49.2 117 119 X Y E + d 0 161A 5 43,-1.5 45,-2.2 42,-0.3 -1,-0.3 -0.993 58.0 173.4-136.8 125.0 34.0 50.0 47.0 118 120 X H S S- 0 0 2 -2,-0.4 -104,-0.3 -42,-0.3 45,-0.1 -0.695 75.4 -60.5-133.9 79.4 36.5 48.9 44.3 119 121 X F S S+ 0 0 10 43,-0.3 -89,-0.1 -2,-0.3 -2,-0.0 0.727 108.0 110.7 59.8 31.0 35.8 45.4 43.0 120 122 X D + 0 0 2 -91,-0.1 -41,-0.4 -92,-0.1 -42,-0.1 -0.182 40.8 176.7-143.1 47.2 36.2 43.9 46.5 121 123 X L - 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