==== 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 HYDROLASE 12-DEC-00 1HP4 . COMPND 2 MOLECULE: BETA-N-ACETYLHEXOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES PLICATUS; . AUTHOR B.L.MARK . 499 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18000.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 4.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 37 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 1 1 1 1 1 1 0 2 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 3 1 3 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 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 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 8 A D 0 0 127 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 34.9 35.1 51.3 4.9 2 9 A R + 0 0 62 1,-0.2 497,-0.0 2,-0.1 0, 0.0 0.886 360.0 43.2 -51.8 -48.5 31.5 52.5 5.4 3 10 A K S S+ 0 0 124 1,-0.3 117,-1.3 116,-0.1 -1,-0.2 0.849 132.2 18.7 -69.8 -39.5 31.3 54.0 1.9 4 11 A A S S- 0 0 40 115,-0.1 -1,-0.3 114,-0.1 -2,-0.1 -0.700 83.6-154.5-137.5 82.8 33.0 51.1 0.0 5 12 A P - 0 0 31 0, 0.0 -3,-0.1 0, 0.0 4,-0.1 -0.130 20.1-128.2 -55.1 151.0 32.9 47.9 2.1 6 13 A V S S+ 0 0 101 2,-0.1 0, 0.0 1,-0.0 0, 0.0 0.894 95.9 32.5 -67.6 -39.9 35.6 45.3 1.5 7 14 A R S S- 0 0 148 1,-0.1 127,-0.0 125,-0.0 -1,-0.0 -0.800 99.4 -89.6-117.1 158.3 32.8 42.7 1.2 8 15 A P - 0 0 34 0, 0.0 109,-0.1 0, 0.0 125,-0.1 -0.249 45.8-100.1 -65.9 152.1 29.2 42.9 -0.2 9 16 A T - 0 0 24 107,-0.7 125,-0.5 123,-0.3 106,-0.0 -0.440 55.8 -83.7 -69.5 145.4 26.3 43.7 2.1 10 17 A P > - 0 0 50 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.136 34.1-121.5 -50.8 144.8 24.3 40.6 3.2 11 18 A L T 3 S+ 0 0 4 1,-0.3 11,-0.1 124,-0.2 -2,-0.1 0.745 112.5 48.8 -60.8 -25.8 21.7 39.4 0.7 12 19 A D T 3 S+ 0 0 82 1,-0.1 2,-1.9 9,-0.1 -1,-0.3 0.480 82.6 100.6 -94.7 -2.9 18.9 39.8 3.3 13 20 A R < + 0 0 87 -3,-1.4 2,-0.3 4,-0.1 -1,-0.1 -0.453 58.7 105.4 -84.9 68.6 19.9 43.3 4.3 14 21 A V - 0 0 0 -2,-1.9 462,-0.1 4,-0.0 461,-0.1 -0.974 67.7-100.2-143.1 155.5 17.3 45.2 2.3 15 22 A I S S+ 0 0 0 -2,-0.3 2,-0.1 2,-0.1 440,-0.1 -0.993 105.6 40.7-125.5 127.9 14.1 47.1 3.0 16 23 A P S S- 0 0 0 0, 0.0 439,-0.1 0, 0.0 3,-0.1 0.497 104.6-117.2 -66.4 152.9 11.4 45.9 2.6 17 24 A A - 0 0 7 -2,-0.1 -2,-0.1 1,-0.1 449,-0.1 -0.440 35.4-116.1 -61.5 128.4 12.5 42.6 4.0 18 25 A P - 0 0 7 0, 0.0 3,-0.2 0, 0.0 122,-0.1 -0.358 12.9-122.9 -68.1 151.0 12.2 40.1 1.0 19 26 A A S S+ 0 0 41 1,-0.2 2,-0.4 122,-0.1 121,-0.2 0.898 97.4 14.7 -59.5 -41.8 9.7 37.3 1.4 20 27 A S E -A 139 0A 53 119,-1.6 119,-2.1 2,-0.0 2,-0.5 -0.983 64.9-178.3-142.0 126.3 12.4 34.7 0.8 21 28 A V E +A 138 0A 42 -2,-0.4 117,-0.2 117,-0.2 -9,-0.1 -0.984 2.8 176.8-126.3 120.8 16.2 35.1 0.9 22 29 A D E -A 137 0A 106 115,-3.2 115,-2.4 -2,-0.5 2,-0.1 -0.777 14.7-163.9-125.9 86.9 18.5 32.2 0.1 23 30 A P E +A 136 0A 84 0, 0.0 113,-0.3 0, 0.0 2,-0.3 -0.385 24.4 137.4 -71.0 145.7 22.2 33.3 0.2 24 31 A G + 0 0 43 111,-1.8 67,-0.1 1,-0.1 -2,-0.1 -0.917 37.3 10.0 178.7 154.8 24.9 31.1 -1.4 25 32 A G S S- 0 0 81 -2,-0.3 110,-0.4 110,-0.1 -1,-0.1 -0.032 93.3 -32.7 64.8-168.5 28.0 30.9 -3.5 26 33 A A - 0 0 50 1,-0.1 110,-0.2 108,-0.1 -2,-0.1 -0.421 66.5-109.7 -82.9 160.3 30.2 33.8 -4.7 27 34 A P - 0 0 35 0, 0.0 2,-0.3 0, 0.0 107,-0.2 -0.271 25.4-110.0 -84.3 172.8 28.8 37.3 -5.5 28 35 A Y E -G 133 0B 19 105,-2.4 105,-2.3 106,-0.1 2,-0.4 -0.742 27.3-153.8 -99.0 153.4 28.5 39.0 -8.9 29 36 A R E -G 132 0B 128 -2,-0.3 2,-0.4 103,-0.2 103,-0.2 -0.993 9.3-138.5-131.9 125.1 30.7 41.9 -9.7 30 37 A I E -G 131 0B 2 101,-2.3 101,-0.5 -2,-0.4 2,-0.3 -0.707 29.3-177.1 -81.9 129.2 29.8 44.6 -12.1 31 38 A T > - 0 0 70 -2,-0.4 3,-2.6 99,-0.1 28,-0.0 -0.794 43.8 -86.7-122.7 168.3 32.8 45.6 -14.3 32 39 A R T 3 S+ 0 0 200 1,-0.3 30,-0.6 -2,-0.3 31,-0.5 0.734 124.3 49.6 -44.4 -32.9 33.3 48.2 -17.0 33 40 A G T 3 S+ 0 0 46 28,-0.1 -1,-0.3 29,-0.1 39,-0.1 0.458 76.9 134.1 -91.6 0.9 32.1 45.9 -19.8 34 41 A T < - 0 0 6 -3,-2.6 29,-0.3 37,-0.1 2,-0.3 -0.268 39.1-157.3 -57.5 127.9 28.8 44.8 -18.1 35 42 A H - 0 0 76 28,-0.2 38,-1.9 35,-0.1 2,-0.7 -0.739 13.7-132.7-102.9 151.8 25.8 44.9 -20.5 36 43 A I E -bc 65 73A 0 28,-2.8 30,-2.2 -2,-0.3 2,-0.5 -0.926 24.2-158.4-108.0 108.7 22.2 45.1 -19.3 37 44 A R E +bc 66 74A 50 36,-2.7 38,-2.9 -2,-0.7 2,-0.3 -0.774 18.2 167.9 -92.5 127.2 20.2 42.5 -21.3 38 45 A V - 0 0 0 28,-2.5 38,-0.1 -2,-0.5 7,-0.1 -0.800 39.1 -87.5-129.3 171.2 16.4 43.0 -21.6 39 46 A D - 0 0 35 36,-0.4 2,-2.1 -2,-0.3 6,-0.2 -0.352 50.1 -97.2 -75.4 162.5 13.6 41.5 -23.6 40 47 A D S S+ 0 0 128 27,-0.2 2,-0.3 4,-0.1 -1,-0.1 -0.467 89.7 99.0 -82.2 69.2 12.8 43.0 -27.0 41 48 A S S > S- 0 0 37 -2,-2.1 4,-2.2 1,-0.1 5,-0.2 -0.971 79.0-116.4-148.8 160.6 9.9 45.2 -25.8 42 49 A R H > S+ 0 0 184 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.964 114.1 48.0 -63.1 -55.2 9.3 48.8 -24.9 43 50 A E H > S+ 0 0 84 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.842 112.2 50.8 -56.4 -36.7 8.5 48.1 -21.2 44 51 A A H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 3,-0.5 0.965 111.5 45.6 -66.8 -52.2 11.5 45.9 -20.8 45 52 A R H X S+ 0 0 83 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.866 106.9 62.1 -57.8 -37.2 14.0 48.4 -22.3 46 53 A R H X S+ 0 0 143 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.892 106.5 43.0 -56.3 -44.7 12.3 51.1 -20.1 47 54 A V H X S+ 0 0 5 -4,-1.4 4,-2.3 -3,-0.5 -1,-0.2 0.863 112.7 54.9 -71.3 -34.5 13.3 49.3 -16.9 48 55 A G H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.935 109.1 45.8 -63.1 -46.5 16.8 48.6 -18.4 49 56 A D H X S+ 0 0 72 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.857 110.3 54.8 -64.3 -36.4 17.4 52.3 -19.1 50 57 A Y H X S+ 0 0 18 -4,-1.7 4,-1.5 -5,-0.3 -1,-0.2 0.933 111.5 44.5 -61.9 -46.3 16.1 53.2 -15.6 51 58 A L H X S+ 0 0 3 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.927 112.2 51.6 -64.0 -46.5 18.6 50.8 -14.1 52 59 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 3,-0.2 0.921 108.1 52.2 -57.6 -45.0 21.5 52.1 -16.4 53 60 A D H < S+ 0 0 100 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.854 108.1 52.2 -60.0 -36.0 20.7 55.7 -15.4 54 61 A L H < S+ 0 0 46 -4,-1.5 4,-0.4 -5,-0.2 -1,-0.2 0.852 118.2 35.9 -67.8 -35.4 20.9 54.8 -11.7 55 62 A L H X S+ 0 0 2 -4,-1.7 4,-2.2 -3,-0.2 5,-0.4 0.721 97.7 76.6 -93.1 -25.3 24.3 53.1 -12.1 56 63 A R H X S+ 0 0 82 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.905 91.5 51.8 -57.2 -48.8 26.2 55.2 -14.7 57 64 A P H 4 S+ 0 0 60 0, 0.0 -1,-0.2 0, 0.0 67,-0.1 0.950 117.7 35.5 -55.0 -54.0 27.2 58.2 -12.6 58 65 A A H 4 S+ 0 0 0 63,-0.4 69,-3.1 -4,-0.4 -2,-0.2 0.842 127.3 36.5 -71.4 -36.4 28.8 56.2 -9.7 59 66 A T H < S- 0 0 8 -4,-2.2 -3,-0.2 67,-0.2 -1,-0.2 0.822 89.3-144.6 -85.6 -33.3 30.3 53.4 -11.8 60 67 A G < + 0 0 53 -4,-2.9 2,-0.2 -5,-0.4 -4,-0.1 0.626 52.0 141.7 76.6 12.5 31.3 55.6 -14.8 61 68 A Y - 0 0 52 -6,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.526 61.1-129.7 -88.1 156.1 30.4 52.6 -16.9 62 69 A R - 0 0 187 -30,-0.6 -1,-0.1 -2,-0.2 -6,-0.1 0.924 32.3-174.9 -67.5 -45.9 28.7 52.7 -20.3 63 70 A L - 0 0 0 -31,-0.5 -28,-0.2 -29,-0.3 -7,-0.1 0.944 13.4-156.3 47.2 63.7 26.1 50.0 -19.3 64 71 A P - 0 0 14 0, 0.0 -28,-2.8 0, 0.0 2,-0.6 -0.410 6.9-136.9 -70.2 146.0 24.4 49.7 -22.7 65 72 A V E +b 36 0A 23 -30,-0.2 2,-0.3 -2,-0.1 -28,-0.2 -0.919 37.2 158.7-106.0 116.6 20.9 48.3 -22.7 66 73 A T E -b 37 0A 26 -30,-2.2 -28,-2.5 -2,-0.6 5,-0.1 -0.940 47.9-136.8-139.0 162.1 20.2 45.8 -25.4 67 74 A A S S+ 0 0 19 -2,-0.3 2,-0.3 -30,-0.2 -27,-0.2 0.038 84.6 67.7-102.5 22.7 17.9 42.9 -26.4 68 75 A H S S+ 0 0 130 -29,-0.1 3,-0.2 -28,-0.0 -2,-0.1 -0.979 78.7 24.1-142.3 155.4 20.7 40.6 -27.6 69 76 A G S S- 0 0 42 -2,-0.3 2,-0.6 1,-0.1 -3,-0.0 -0.216 91.3 -66.5 86.6-179.6 23.6 38.7 -26.1 70 77 A H - 0 0 192 -2,-0.0 -1,-0.1 4,-0.0 -35,-0.1 -0.573 57.2-165.5-110.8 68.8 24.2 37.4 -22.6 71 78 A G - 0 0 17 -2,-0.6 -35,-0.1 -3,-0.2 -37,-0.1 -0.100 28.7-123.2 -54.2 148.0 24.5 40.5 -20.5 72 79 A G S S+ 0 0 17 -37,-0.2 24,-3.3 1,-0.2 2,-0.5 0.745 106.7 46.0 -63.6 -24.8 25.9 40.3 -17.0 73 80 A I E S-cd 36 96A 2 -38,-1.9 -36,-2.7 22,-0.2 2,-0.5 -0.972 79.0-174.8-121.2 114.2 22.7 41.9 -15.7 74 81 A R E -cd 37 97A 51 22,-3.0 24,-3.3 -2,-0.5 2,-0.6 -0.945 15.4-169.0-118.6 131.6 19.6 40.4 -17.2 75 82 A L E + d 0 98A 0 -38,-2.9 -36,-0.4 -2,-0.5 2,-0.4 -0.968 21.4 178.2-113.3 114.8 16.0 41.6 -16.8 76 83 A R E - d 0 99A 81 22,-2.8 24,-1.9 -2,-0.6 2,-0.6 -0.972 26.8-144.3-129.6 136.0 13.5 39.0 -18.1 77 84 A L E + d 0 100A 41 -2,-0.4 2,-0.3 22,-0.2 24,-0.2 -0.832 43.7 138.4 -93.8 119.6 9.8 38.8 -18.3 78 85 A A - 0 0 30 22,-2.4 -2,-0.0 -2,-0.6 24,-0.0 -0.933 54.1 -76.2-151.6 172.5 8.6 35.2 -17.8 79 86 A G + 0 0 58 -2,-0.3 -1,-0.0 2,-0.1 21,-0.0 -0.276 64.2 120.5 -70.6 161.8 6.0 33.1 -16.1 80 87 A G S > S- 0 0 25 7,-0.0 2,-1.3 21,-0.0 3,-0.5 -0.869 73.0 -75.3 159.2 168.5 6.3 32.4 -12.4 81 88 A P T 3 S+ 0 0 105 0, 0.0 6,-0.1 0, 0.0 -2,-0.1 -0.293 92.0 104.7 -85.0 51.0 4.6 32.7 -9.0 82 89 A Y T >> - 0 0 10 -2,-1.3 4,-2.5 1,-0.2 3,-0.5 0.444 65.0-151.3-112.8 -0.1 5.4 36.4 -8.7 83 90 A G T <4 - 0 0 43 -3,-0.5 18,-0.5 1,-0.2 19,-0.3 -0.146 53.0 -47.0 61.7-160.4 2.1 38.1 -9.4 84 91 A D T 34 S+ 0 0 102 1,-0.1 21,-0.4 17,-0.1 20,-0.2 0.633 141.5 26.7 -82.5 -14.4 2.0 41.6 -10.9 85 92 A E T <4 S+ 0 0 31 -3,-0.5 -2,-0.2 19,-0.1 -1,-0.1 0.499 99.0 95.3-125.4 -9.7 4.7 43.0 -8.6 86 93 A G < + 0 0 0 -4,-2.5 15,-0.4 56,-0.1 16,-0.4 -0.194 43.6 173.7 -80.9 175.8 6.9 40.2 -7.5 87 94 A Y E -E 140 0A 0 53,-2.1 53,-2.7 13,-0.2 2,-0.4 -0.972 27.4-123.0-167.4 172.2 10.2 39.0 -8.9 88 95 A R E -EF 139 99A 62 11,-2.4 11,-3.0 -2,-0.3 2,-0.5 -0.995 19.2-161.6-129.6 135.2 13.1 36.6 -8.5 89 96 A L E -EF 138 98A 0 49,-2.8 49,-2.0 -2,-0.4 2,-0.5 -0.966 5.8-172.8-123.3 116.5 16.7 37.9 -8.2 90 97 A D E -EF 137 97A 44 7,-2.8 7,-2.6 -2,-0.5 2,-0.4 -0.921 6.8-175.1-108.7 130.3 19.6 35.4 -8.9 91 98 A S E +EF 136 96A 11 45,-2.8 45,-2.6 -2,-0.5 5,-0.2 -0.988 21.6 114.3-131.0 136.8 23.2 36.6 -8.2 92 99 A G E > S- F 0 95A 12 3,-1.1 3,-2.7 -2,-0.4 -63,-0.2 -0.966 76.7 -67.7-177.7 177.1 26.5 34.8 -8.8 93 100 A P T 3 S+ 0 0 101 0, 0.0 -64,-0.2 0, 0.0 3,-0.1 0.789 126.4 62.3 -53.2 -28.9 29.7 34.9 -10.8 94 101 A A T 3 S- 0 0 108 1,-0.3 2,-0.2 -66,-0.1 -66,-0.1 0.573 120.5 -93.7 -75.2 -8.9 27.7 34.1 -13.9 95 102 A G E < - F 0 92A 10 -3,-2.7 -3,-1.1 -68,-0.1 2,-0.5 -0.711 40.3 -67.6 126.9-180.0 25.8 37.4 -13.5 96 103 A V E -dF 73 91A 1 -24,-3.3 -22,-3.0 -2,-0.2 2,-0.4 -0.964 41.4-172.1-115.8 128.8 22.6 38.9 -12.0 97 104 A T E -dF 74 90A 42 -7,-2.6 -7,-2.8 -2,-0.5 2,-0.5 -0.981 7.8-165.7-123.9 129.7 19.2 37.9 -13.3 98 105 A I E -dF 75 89A 0 -24,-3.3 -22,-2.8 -2,-0.4 2,-0.4 -0.970 13.5-172.1-114.6 120.1 15.9 39.5 -12.3 99 106 A T E +dF 76 88A 1 -11,-3.0 -11,-2.4 -2,-0.5 2,-0.3 -0.926 15.3 145.6-116.9 138.5 12.9 37.6 -13.4 100 107 A A E -d 77 0A 0 -24,-1.9 -22,-2.4 -2,-0.4 -13,-0.2 -0.972 51.7-119.8-159.5 167.8 9.2 38.7 -13.2 101 108 A R S S+ 0 0 124 -18,-0.5 2,-0.3 -15,-0.4 -17,-0.1 0.810 96.4 24.6 -83.8 -32.5 5.9 38.5 -14.9 102 109 A K S >> S- 0 0 109 -16,-0.4 4,-1.5 -19,-0.3 3,-1.0 -0.888 83.4-105.7-133.1 163.7 5.6 42.2 -15.4 103 110 A A H 3> S+ 0 0 10 -2,-0.3 4,-3.0 1,-0.3 5,-0.2 0.853 117.1 61.2 -52.7 -39.7 7.7 45.4 -15.7 104 111 A A H 3> S+ 0 0 18 1,-0.2 4,-2.4 -20,-0.2 -1,-0.3 0.872 103.2 51.1 -57.7 -37.1 6.7 46.4 -12.2 105 112 A G H <> S+ 0 0 0 -3,-1.0 4,-2.1 -21,-0.4 -1,-0.2 0.885 110.8 47.4 -67.6 -38.6 8.2 43.2 -10.8 106 113 A L H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.911 111.0 52.2 -67.1 -41.3 11.5 44.0 -12.7 107 114 A F H X S+ 0 0 4 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.917 110.5 47.8 -60.7 -44.0 11.4 47.6 -11.4 108 115 A H H X S+ 0 0 2 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.889 107.6 55.6 -64.8 -38.7 11.0 46.2 -7.8 109 116 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.878 105.5 53.6 -60.7 -36.0 13.8 43.8 -8.4 110 117 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.888 102.1 56.9 -65.0 -39.9 15.9 46.8 -9.3 111 118 A Q H < S+ 0 0 0 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.823 109.5 46.5 -62.1 -30.5 15.1 48.6 -6.1 112 119 A T H >X S+ 0 0 0 -4,-1.3 4,-1.2 -3,-0.2 3,-1.2 0.902 108.9 55.0 -76.2 -42.1 16.5 45.5 -4.2 113 120 A L H 3X S+ 0 0 2 -4,-2.1 4,-1.8 1,-0.3 3,-0.5 0.885 101.3 57.1 -58.6 -41.5 19.6 45.5 -6.4 114 121 A R H 3< S+ 0 0 25 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.707 108.4 48.6 -66.1 -16.5 20.5 49.1 -5.6 115 122 A Q H <4 S+ 0 0 12 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.704 105.9 55.8 -92.8 -22.9 20.5 48.1 -1.9 116 123 A L H < S+ 0 0 1 -4,-1.2 -107,-0.7 -3,-0.5 18,-0.3 0.810 98.2 76.8 -76.6 -30.0 22.7 45.0 -2.5 117 124 A L S < S- 0 0 0 -4,-1.8 14,-0.1 -5,-0.2 16,-0.1 -0.331 99.0 -88.8 -74.0 162.3 25.3 47.3 -4.2 118 125 A P > - 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