==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUL-99 1C90 . COMPND 2 MOLECULE: ENDO-BETA-N-ACETYLGLUCOSAMINIDASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES PLICATUS; . AUTHOR V.RAO,C.TAO,C.GUAN,P.VAN ROEY . 530 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21367.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 382 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 85 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.1 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 . 40 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 4 1 1 0 2 0 0 0 4 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 2 6 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 PARALLEL BRIDGES PER LADDER . 2 5 1 0 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 2 0 0 0 0 0 0 0 2 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 6 A K 0 0 92 0, 0.0 2,-0.3 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 70.0 -6.7 -7.5 -20.0 2 7 A Q + 0 0 167 256,-0.2 28,-0.0 28,-0.0 0, 0.0 -0.943 360.0 63.5-131.5 150.5 -3.0 -8.1 -20.0 3 8 A G S S- 0 0 49 -2,-0.3 255,-0.1 255,-0.0 3,-0.1 -0.646 79.9 -5.9 127.4 176.6 -0.4 -5.9 -18.6 4 9 A P - 0 0 15 0, 0.0 2,-0.6 0, 0.0 231,-0.3 0.076 68.6-106.9 -43.4 149.1 1.0 -4.3 -15.4 5 10 A T E -a 235 0A 31 229,-3.0 231,-2.8 199,-0.2 2,-0.4 -0.761 35.6-146.3 -81.4 115.9 -0.8 -4.7 -12.1 6 11 A S E -a 236 0A 0 -2,-0.6 29,-1.9 229,-0.2 28,-1.8 -0.757 11.5-155.6 -88.3 133.4 -2.4 -1.3 -11.4 7 12 A V E -ab 237 35A 0 229,-2.6 231,-2.3 -2,-0.4 2,-0.5 -0.896 5.0-161.4-111.9 140.8 -2.6 -0.4 -7.7 8 13 A A E -ab 238 36A 0 27,-2.7 29,-2.9 -2,-0.4 2,-0.4 -0.934 2.0-162.7-126.7 107.6 -5.1 2.1 -6.2 9 14 A Y E -ab 239 37A 0 229,-2.1 232,-1.1 -2,-0.5 231,-1.0 -0.721 12.8-163.7 -81.8 137.9 -4.6 3.7 -2.8 10 15 A V E - b 0 38A 1 27,-2.2 29,-2.1 -2,-0.4 2,-1.6 -0.991 20.9-136.4-129.7 120.7 -7.8 5.2 -1.3 11 16 A E E >> - b 0 39A 36 -2,-0.4 4,-3.3 230,-0.3 3,-2.3 -0.657 20.7-170.5 -73.4 90.8 -7.9 7.7 1.5 12 17 A V T 34 S+ 0 0 12 -2,-1.6 -1,-0.2 27,-1.4 28,-0.1 0.619 76.5 79.2 -62.4 -11.2 -10.8 6.0 3.3 13 18 A N T 34 S+ 0 0 68 26,-0.6 -1,-0.3 1,-0.1 27,-0.1 0.811 120.0 5.3 -64.3 -29.0 -10.9 9.1 5.6 14 19 A N T <4 S+ 0 0 128 -3,-2.3 2,-0.3 1,-0.2 -2,-0.2 0.641 126.3 55.8-125.3 -28.1 -12.7 10.8 2.7 15 20 A N S < S- 0 0 39 -4,-3.3 -1,-0.2 226,-0.1 2,-0.2 -0.868 70.6-116.6-122.7 150.8 -13.4 8.2 0.0 16 21 A S > - 0 0 43 -2,-0.3 3,-1.0 1,-0.1 4,-0.3 -0.450 18.5-134.8 -76.0 144.7 -15.1 4.8 -0.5 17 22 A M G > S+ 0 0 0 1,-0.2 3,-0.9 -2,-0.2 4,-0.3 0.688 97.1 77.9 -68.3 -23.4 -13.1 1.8 -1.6 18 23 A L G > S+ 0 0 47 1,-0.2 3,-1.0 2,-0.2 4,-0.5 0.676 72.6 73.7 -65.9 -19.8 -15.8 1.1 -4.1 19 24 A N G X S+ 0 0 15 -3,-1.0 3,-1.8 1,-0.2 4,-0.4 0.878 85.5 68.8 -63.0 -32.4 -14.8 3.7 -6.7 20 25 A V G X S+ 0 0 0 -3,-0.9 3,-0.7 1,-0.3 13,-0.4 0.815 98.5 49.6 -54.2 -36.9 -11.9 1.4 -7.6 21 26 A G G < S+ 0 0 10 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.616 92.1 79.2 -80.6 -11.3 -14.3 -1.1 -9.1 22 27 A K G < S+ 0 0 62 -3,-1.8 243,-1.9 -4,-0.5 2,-0.5 0.623 80.3 76.3 -72.1 -14.1 -16.1 1.6 -11.1 23 28 A Y E < +K 264 0B 0 -3,-0.7 9,-2.4 -4,-0.4 10,-0.6 -0.878 56.0 166.1-106.4 124.8 -13.5 1.7 -13.9 24 29 A T E -KL 263 31B 31 239,-2.6 239,-2.5 -2,-0.5 2,-0.4 -0.878 42.2 -93.9-128.4 163.9 -13.2 -1.0 -16.5 25 30 A L E > -K 262 0B 3 5,-2.7 4,-1.5 -2,-0.3 237,-0.2 -0.667 19.6-145.0 -81.0 128.3 -11.4 -1.4 -19.8 26 31 A A T 4 S+ 0 0 70 235,-2.4 2,-0.9 -2,-0.4 -1,-0.2 0.761 95.2 70.0 -60.0 -22.8 -13.5 -0.4 -22.9 27 32 A D T >4 S- 0 0 111 234,-0.5 3,-0.6 1,-0.1 -1,-0.2 -0.821 129.5 -19.3-102.1 97.8 -11.5 -3.2 -24.4 28 33 A G T 34 S- 0 0 77 -2,-0.9 -2,-0.1 1,-0.2 -1,-0.1 0.052 94.4-105.6 95.3 -25.2 -12.5 -6.5 -23.0 29 34 A G T 3< + 0 0 38 -4,-1.5 -1,-0.2 1,-0.2 -3,-0.1 0.687 65.3 160.8 76.9 18.4 -14.1 -4.9 -19.9 30 35 A G < - 0 0 14 -3,-0.6 -5,-2.7 1,-0.1 2,-0.2 -0.147 51.8 -80.2 -65.8 167.6 -11.2 -6.0 -17.6 31 36 A N B -L 24 0B 26 -7,-0.2 -7,-0.2 1,-0.2 -1,-0.1 -0.496 27.4-150.6 -71.0 136.8 -10.7 -4.2 -14.3 32 37 A A S S+ 0 0 0 -9,-2.4 2,-0.4 -12,-0.2 -1,-0.2 0.887 89.8 44.9 -70.7 -36.3 -8.9 -0.9 -14.7 33 38 A F - 0 0 0 -10,-0.6 -1,-0.2 -13,-0.4 -26,-0.1 -0.905 58.3-179.1-112.4 133.3 -7.5 -1.5 -11.2 34 39 A D S S+ 0 0 34 -28,-1.8 46,-2.5 -2,-0.4 2,-0.4 0.746 74.7 33.0 -98.2 -29.9 -6.1 -4.9 -9.9 35 40 A V E -bc 7 80A 4 -29,-1.9 -27,-2.7 44,-0.2 2,-0.4 -0.994 62.8-165.7-133.6 131.5 -5.2 -4.0 -6.3 36 41 A A E -bc 8 81A 0 44,-3.5 46,-2.8 -2,-0.4 2,-0.5 -0.933 11.2-154.1-114.4 140.4 -7.0 -1.6 -4.0 37 42 A V E -bc 9 82A 0 -29,-2.9 -27,-2.2 -2,-0.4 2,-0.7 -0.975 12.4-136.2-123.4 122.5 -5.3 -0.4 -0.8 38 43 A I E -bc 10 83A 0 44,-3.3 46,-2.9 -2,-0.5 2,-0.6 -0.666 32.3-129.8 -75.9 113.6 -7.2 0.7 2.4 39 44 A F E +b 11 0A 18 -29,-2.1 -27,-1.4 -2,-0.7 -26,-0.6 -0.933 63.2 14.9-115.6 108.7 -5.3 3.8 3.5 40 45 A A E + 0 0 6 -2,-0.6 17,-0.4 44,-0.5 -1,-0.2 0.557 33.6 150.4-167.0 159.4 -4.7 3.5 6.3 41 46 A A E - c 0 85A 0 43,-2.6 45,-2.6 -3,-0.4 2,-0.3 -0.446 43.7-134.3 -81.7 162.5 -4.3 1.8 9.7 42 47 A N E -Dc 55 86A 13 13,-3.4 13,-2.5 43,-0.2 2,-0.7 -0.798 10.9-129.8-123.8 159.0 -1.7 3.2 12.1 43 48 A I E -D 54 0A 0 43,-1.6 45,-0.5 -2,-0.3 47,-0.4 -0.957 39.1-177.4-102.9 115.9 1.0 2.1 14.4 44 49 A N E -D 53 0A 7 9,-2.9 9,-1.2 -2,-0.7 2,-0.4 -0.399 16.6-128.6-104.5-179.0 0.4 3.8 17.7 45 50 A Y E -D 52 0A 29 7,-0.2 2,-0.8 -2,-0.1 7,-0.2 -0.998 5.4-153.4-140.6 135.2 2.3 3.8 21.1 46 51 A D E >> -D 51 0A 69 5,-3.3 4,-1.9 -2,-0.4 5,-1.4 -0.911 15.8-169.0-101.2 101.8 1.3 3.2 24.7 47 52 A T T 45S+ 0 0 52 -2,-0.8 -1,-0.2 2,-0.2 3,-0.1 0.951 79.6 57.2 -63.1 -46.3 3.9 5.2 26.5 48 53 A G T 45S+ 0 0 66 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.897 120.4 28.4 -49.9 -51.7 3.1 3.8 29.9 49 54 A T T 45S- 0 0 83 2,-0.2 -1,-0.3 0, 0.0 -2,-0.2 0.641 103.0-131.6 -85.2 -14.1 3.8 0.2 28.9 50 55 A K T <5 + 0 0 120 -4,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.863 64.1 127.8 66.3 35.1 6.3 1.3 26.2 51 56 A T E < -D 46 0A 70 -5,-1.4 -5,-3.3 46,-0.0 -1,-0.3 -0.945 54.6-132.7-125.6 147.5 4.5 -0.9 23.6 52 57 A A E -D 45 0A 22 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.535 23.3-170.9 -89.7 159.7 3.2 -0.2 20.2 53 58 A Y E -D 44 0A 89 -9,-1.2 -9,-2.9 -2,-0.2 2,-0.3 -0.984 27.4-107.0-151.9 151.3 -0.2 -1.3 19.1 54 59 A L E -D 43 0A 18 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.602 40.4-172.1 -77.4 145.0 -2.1 -1.4 15.8 55 60 A H E -D 42 0A 59 -13,-2.5 -13,-3.4 -2,-0.3 2,-0.5 -0.991 17.6-163.2-147.7 132.2 -4.9 1.2 15.6 56 61 A F - 0 0 37 -2,-0.4 -15,-0.1 -15,-0.2 -2,-0.0 -0.966 22.1-134.9-113.6 124.2 -7.7 1.9 13.1 57 62 A N > - 0 0 38 -2,-0.5 4,-2.8 -17,-0.4 5,-0.3 -0.262 38.8 -90.6 -69.2 169.8 -9.4 5.3 13.2 58 63 A E H > S+ 0 0 154 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.732 127.5 49.8 -53.1 -27.8 -13.2 5.4 13.0 59 64 A N H > S+ 0 0 51 2,-0.2 4,-1.7 3,-0.1 -1,-0.2 0.912 111.0 47.1 -78.3 -44.8 -13.1 5.7 9.2 60 65 A V H > S+ 0 0 0 -3,-0.2 4,-2.1 1,-0.2 3,-0.3 0.961 113.6 50.2 -59.8 -46.9 -10.8 2.7 8.7 61 66 A Q H X S+ 0 0 50 -4,-2.8 4,-3.5 1,-0.2 5,-0.3 0.893 104.4 58.8 -59.9 -40.5 -12.9 0.7 11.1 62 67 A R H X S+ 0 0 123 -4,-1.5 4,-1.5 -5,-0.3 -1,-0.2 0.899 109.0 42.5 -54.7 -48.7 -16.1 1.6 9.3 63 68 A V H < S+ 0 0 12 -4,-1.7 7,-0.3 -3,-0.3 -1,-0.2 0.923 117.2 47.9 -67.3 -39.3 -15.0 0.1 6.0 64 69 A L H >< S+ 0 0 2 -4,-2.1 3,-1.6 2,-0.2 -2,-0.2 0.929 113.2 47.3 -64.5 -45.5 -13.5 -2.9 7.8 65 70 A D H 3< S+ 0 0 106 -4,-3.5 3,-0.3 1,-0.3 -1,-0.2 0.801 117.9 44.9 -64.9 -30.0 -16.8 -3.3 9.8 66 71 A N T >X S+ 0 0 75 -4,-1.5 3,-2.2 -5,-0.3 4,-1.9 0.160 73.3 132.8-106.1 24.6 -18.5 -2.9 6.5 67 72 A A H <>> + 0 0 8 -3,-1.6 4,-2.9 1,-0.3 5,-2.3 0.782 64.0 64.8 -41.2 -47.4 -16.3 -5.3 4.5 68 73 A V H 345S+ 0 0 109 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.841 117.1 25.5 -50.9 -36.1 -19.3 -7.1 2.9 69 74 A T H <45S+ 0 0 74 -3,-2.2 -1,-0.2 -6,-0.2 -2,-0.2 0.730 131.9 36.3-103.3 -22.8 -20.4 -3.9 1.1 70 75 A Q H <5S+ 0 0 47 -4,-1.9 -3,-0.2 -7,-0.3 -2,-0.2 0.638 131.5 20.2-102.5 -22.0 -17.1 -1.9 0.8 71 76 A I T >X5S+ 0 0 0 -4,-2.9 4,-1.8 -5,-0.4 3,-1.4 0.800 110.3 60.2-116.1 -51.4 -14.7 -4.8 0.2 72 77 A R H 3> S+ 0 0 49 0, 0.0 4,-0.7 0, 0.0 -1,-0.3 0.842 106.6 45.2 -58.3 -31.0 -17.6 -6.4 -4.2 74 79 A L H X>>S+ 0 0 1 -3,-1.4 5,-3.0 2,-0.2 4,-1.1 0.933 114.3 48.8 -74.4 -47.5 -14.0 -5.5 -5.3 75 80 A Q H 3<5S+ 0 0 44 -4,-1.8 3,-0.2 1,-0.3 -1,-0.2 0.834 109.1 51.5 -61.7 -35.1 -12.8 -9.0 -4.4 76 81 A Q H 3<5S+ 0 0 165 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.738 107.6 55.2 -73.4 -20.9 -15.7 -10.6 -6.3 77 82 A Q H <<5S- 0 0 68 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.714 128.6-101.3 -78.8 -28.7 -14.6 -8.4 -9.3 78 83 A G T <5S+ 0 0 48 -4,-1.1 2,-0.5 1,-0.3 -3,-0.2 0.486 78.3 138.1 114.8 13.4 -11.1 -9.8 -9.0 79 84 A I < - 0 0 1 -5,-3.0 -1,-0.3 -6,-0.1 2,-0.3 -0.800 49.2-133.2 -96.6 125.6 -9.6 -6.9 -7.2 80 85 A K E -c 35 0A 88 -46,-2.5 -44,-3.5 -2,-0.5 2,-0.6 -0.591 16.1-149.2 -75.5 133.8 -7.2 -7.5 -4.4 81 86 A V E +c 36 0A 0 -2,-0.3 39,-2.9 -46,-0.2 40,-0.6 -0.894 18.0 178.2-115.1 117.1 -7.7 -5.5 -1.2 82 87 A L E -ce 37 121A 0 -46,-2.8 -44,-3.3 -2,-0.6 2,-0.5 -0.711 23.0-134.4-111.9 161.8 -4.8 -4.6 1.0 83 88 A L E -ce 38 122A 0 38,-1.3 40,-2.6 -2,-0.3 2,-0.3 -0.991 18.4-145.9-118.6 123.8 -4.6 -2.6 4.2 84 89 A S E - e 0 123A 0 -46,-2.9 -43,-2.6 -2,-0.5 -44,-0.5 -0.700 7.2-154.6 -92.8 141.1 -1.8 -0.0 4.5 85 90 A V E +ce 41 124A 0 38,-2.8 40,-2.5 -2,-0.3 2,-0.3 -0.973 18.4 177.7-117.3 131.5 -0.1 0.7 7.8 86 91 A L E -ce 42 125A 18 -45,-2.6 -43,-1.6 -2,-0.5 40,-0.2 -0.899 33.6 -89.8-136.4 158.5 1.5 4.1 8.5 87 92 A G - 0 0 1 40,-1.7 42,-0.3 38,-0.8 6,-0.1 -0.102 27.7-163.0 -57.1 159.6 3.3 6.1 11.2 88 93 A N - 0 0 36 -45,-0.5 41,-0.2 4,-0.5 -43,-0.1 -0.081 46.1 -98.5-143.8 36.9 1.1 8.1 13.5 89 94 A H S S+ 0 0 86 39,-3.7 40,-0.2 1,-0.1 41,-0.1 0.687 91.1 114.8 56.1 28.2 3.5 10.6 15.2 90 95 A Q S S- 0 0 47 2,-0.4 40,-0.2 -47,-0.4 -1,-0.1 0.355 87.7-107.6-111.4 10.8 3.8 8.5 18.4 91 96 A G S S+ 0 0 0 38,-2.6 41,-0.5 1,-0.2 2,-0.4 -0.026 89.7 106.7 90.7 -29.3 7.5 7.6 18.3 92 97 A A + 0 0 4 37,-0.2 -4,-0.5 -49,-0.1 -2,-0.4 -0.701 42.5 154.9 -88.6 129.6 6.7 4.0 17.4 93 98 A G > - 0 0 1 -2,-0.4 3,-1.2 -6,-0.1 4,-0.2 -0.881 58.4 -91.7-143.7 175.9 7.4 2.9 13.9 94 99 A F T 3 S+ 0 0 0 -2,-0.3 3,-0.3 1,-0.2 53,-0.2 0.727 120.9 52.1 -64.2 -22.2 8.1 -0.3 11.9 95 100 A A T 3 S+ 0 0 0 1,-0.2 45,-3.0 48,-0.2 48,-0.3 0.410 101.8 56.4-100.1 0.8 11.9 0.3 12.3 96 101 A N < + 0 0 14 -3,-1.2 41,-0.3 43,-0.2 -1,-0.2 0.227 58.0 140.9-121.7 21.9 12.2 0.7 16.1 97 102 A F - 0 0 11 -3,-0.3 46,-0.2 -4,-0.2 45,-0.1 -0.505 46.4-144.4 -63.2 121.0 10.8 -2.4 17.7 98 103 A P S S+ 0 0 110 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.725 73.3 15.1 -60.3 -23.7 13.1 -3.1 20.6 99 104 A S S > S- 0 0 45 1,-0.1 4,-2.3 43,-0.0 5,-0.2 -0.946 73.3-110.7-150.6 166.8 12.9 -6.9 20.2 100 105 A Q H > S+ 0 0 99 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.865 120.5 56.5 -64.0 -37.4 11.8 -9.8 18.0 101 106 A Q H > S+ 0 0 155 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.963 107.7 44.7 -60.1 -53.9 9.0 -10.3 20.6 102 107 A A H > S+ 0 0 26 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.933 115.0 49.0 -55.4 -48.9 7.7 -6.7 20.3 103 108 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.911 110.7 49.9 -57.2 -49.3 7.9 -6.9 16.4 104 109 A S H X S+ 0 0 35 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.820 105.1 58.3 -61.8 -32.2 6.1 -10.3 16.3 105 110 A A H X S+ 0 0 44 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.899 109.0 44.9 -65.2 -39.8 3.3 -8.9 18.6 106 111 A F H X S+ 0 0 2 -4,-1.6 4,-1.2 -3,-0.2 3,-0.2 0.847 108.5 56.8 -71.5 -38.4 2.6 -6.2 16.0 107 112 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 3,-0.3 0.897 103.4 55.8 -59.2 -38.6 2.7 -8.7 13.1 108 113 A K H X S+ 0 0 97 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.825 103.2 53.3 -64.0 -35.9 0.0 -10.8 14.8 109 114 A Q H X S+ 0 0 65 -4,-1.0 4,-1.3 -3,-0.2 -1,-0.2 0.835 111.0 47.7 -68.1 -35.7 -2.4 -7.8 15.0 110 115 A L H X S+ 0 0 0 -4,-1.2 4,-2.0 -3,-0.3 -2,-0.2 0.915 114.3 43.9 -71.0 -48.1 -1.9 -7.3 11.3 111 116 A S H X S+ 0 0 12 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.865 111.8 54.6 -67.3 -33.1 -2.4 -10.9 10.3 112 117 A D H X S+ 0 0 98 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.870 109.6 47.7 -65.5 -41.9 -5.4 -11.2 12.7 113 118 A A H X S+ 0 0 6 -4,-1.3 4,-2.8 2,-0.2 6,-0.3 0.913 110.1 51.4 -64.4 -45.7 -7.0 -8.2 11.0 114 119 A V H X>S+ 0 0 4 -4,-2.0 5,-2.6 2,-0.2 4,-0.7 0.953 116.0 42.2 -55.4 -50.8 -6.4 -9.6 7.4 115 120 A A H <5S+ 0 0 79 -4,-2.5 3,-0.4 3,-0.2 -2,-0.2 0.918 115.5 48.9 -63.2 -48.2 -8.0 -12.9 8.5 116 121 A K H <5S+ 0 0 148 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.909 120.4 33.5 -59.6 -49.6 -10.9 -11.4 10.4 117 122 A Y H <5S- 0 0 22 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.383 111.9-113.6 -92.0 3.4 -12.0 -8.9 7.7 118 123 A G T <5 + 0 0 27 -4,-0.7 -3,-0.2 -3,-0.4 -37,-0.1 0.853 55.7 167.4 68.1 40.7 -11.1 -11.2 4.8 119 124 A L < - 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