==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAY-10 3AHZ . COMPND 2 MOLECULE: BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEOTERMES KOSHUNENSIS; . AUTHOR W.-Y.JENG,C.-I.LIU,A.H.-J.WANG . 472 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17502.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 3.4 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 . 30 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.8 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 5 1 0 1 2 0 0 0 1 1 1 2 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 3 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 . 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 27 A T > 0 0 146 0, 0.0 3,-1.8 0, 0.0 405,-0.1 0.000 360.0 360.0 360.0 -34.4 -6.2 96.3 33.0 2 28 A V T 3 + 0 0 30 1,-0.3 404,-0.2 404,-0.1 403,-0.1 0.629 360.0 51.1 -66.8 -10.4 -6.6 95.1 29.4 3 29 A Y T 3 S+ 0 0 52 2,-0.1 463,-2.2 399,-0.1 2,-0.4 0.319 94.4 88.3-105.0 4.0 -7.9 91.8 31.0 4 30 A T B < S-A 465 0A 42 -3,-1.8 461,-0.2 461,-0.2 460,-0.1 -0.859 74.6-124.6-109.8 136.4 -10.5 93.4 33.3 5 31 A F - 0 0 3 459,-2.6 -2,-0.1 -2,-0.4 -3,-0.0 -0.574 35.7-102.7 -75.0 140.2 -14.2 94.2 32.4 6 32 A P > - 0 0 44 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.294 36.3-112.2 -55.2 146.9 -15.3 97.8 32.9 7 33 A D T 3 S+ 0 0 153 1,-0.3 -2,-0.1 -3,-0.1 457,-0.0 0.816 114.8 43.2 -55.2 -37.7 -17.4 98.0 36.0 8 34 A E T 3 S+ 0 0 181 2,-0.1 -1,-0.3 406,-0.0 2,-0.1 0.488 84.8 120.4 -88.8 -3.8 -20.7 98.7 34.2 9 35 A F < - 0 0 4 -3,-1.4 2,-0.5 1,-0.1 405,-0.2 -0.383 58.4-137.0 -65.9 133.3 -20.2 96.1 31.5 10 36 A K E -b 414 0B 58 403,-1.9 405,-2.5 -2,-0.1 2,-0.4 -0.852 18.9-170.0-102.2 125.9 -23.0 93.5 31.5 11 37 A L E +b 415 0B 2 -2,-0.5 63,-3.1 403,-0.2 64,-1.0 -0.891 27.0 111.2-110.6 139.8 -22.2 89.8 31.1 12 38 A G E -bc 416 75B 0 403,-2.2 405,-2.3 -2,-0.4 2,-0.3 -0.822 51.0 -85.1-171.1-150.0 -24.7 87.0 30.5 13 39 A A E -bc 417 76B 0 62,-1.3 64,-2.4 403,-0.3 2,-0.3 -0.935 28.0-138.4-144.5 163.8 -26.1 84.4 28.1 14 40 A A E +bc 418 77B 0 403,-2.5 406,-1.7 -2,-0.3 405,-0.6 -0.928 18.3 166.5-133.9 149.2 -28.6 84.1 25.3 15 41 A T - 0 0 0 62,-2.3 2,-0.3 -2,-0.3 408,-0.0 -0.816 22.9-133.9-141.7 177.2 -31.4 81.9 23.8 16 42 A A > - 0 0 0 -2,-0.2 4,-1.2 62,-0.2 5,-0.3 -0.984 23.6-117.1-138.7 149.4 -34.2 82.2 21.3 17 43 A S H >> S+ 0 0 0 -2,-0.3 4,-3.0 1,-0.3 3,-0.8 0.874 110.0 40.9 -55.3 -56.6 -37.9 81.1 21.6 18 44 A Y H 34 S+ 0 0 12 104,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.831 113.2 57.6 -66.4 -29.0 -38.2 78.4 18.9 19 45 A Q H 34 S+ 0 0 2 -3,-0.2 405,-2.5 1,-0.1 -1,-0.2 0.784 126.4 11.2 -70.0 -25.8 -34.7 77.1 19.8 20 46 A I H << S+ 0 0 7 -4,-1.2 37,-2.4 -3,-0.8 35,-0.4 0.678 108.3 73.1-123.7 -26.7 -35.6 76.3 23.4 21 47 A E < + 0 0 7 -4,-3.0 37,-2.4 -5,-0.3 38,-0.4 0.845 53.9 179.7 -74.8 -39.6 -39.3 76.6 24.3 22 48 A G + 0 0 5 29,-0.3 31,-0.3 -5,-0.3 -1,-0.2 -0.446 46.0 107.2 62.4-148.5 -41.2 73.6 22.9 23 49 A A > + 0 0 8 29,-0.6 3,-1.2 1,-0.1 6,-0.2 0.865 46.4 171.9 45.9 46.6 -44.9 73.6 23.7 24 50 A W T 3 S+ 0 0 67 28,-1.0 -1,-0.1 1,-0.3 8,-0.1 0.673 75.2 17.9 -65.9 -26.4 -45.4 74.5 20.1 25 51 A D T 3 S+ 0 0 99 27,-0.2 3,-0.5 6,-0.1 -1,-0.3 0.103 96.5 129.5-129.4 24.7 -49.2 74.2 20.1 26 52 A E S X S- 0 0 65 -3,-1.2 3,-1.8 1,-0.2 4,-0.0 -0.542 72.3 -5.9 -87.9 142.3 -49.8 74.4 23.9 27 53 A N T 3 S- 0 0 88 1,-0.3 -1,-0.2 -2,-0.2 70,-0.2 0.839 132.4 -41.6 48.5 51.3 -52.3 76.7 25.6 28 54 A G T 3 S+ 0 0 47 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.358 88.3 152.0 87.4 -3.3 -53.4 78.7 22.5 29 55 A K < - 0 0 15 -3,-1.8 -1,-0.3 -6,-0.2 55,-0.3 -0.401 37.2-137.8 -63.3 134.6 -50.1 79.2 20.8 30 56 A G - 0 0 7 53,-2.5 2,-0.2 1,-0.1 58,-0.1 -0.412 26.6 -88.4 -87.6 166.6 -50.5 79.6 17.0 31 57 A P - 0 0 68 0, 0.0 96,-2.5 0, 0.0 97,-0.5 -0.483 40.2-163.8 -79.8 145.9 -48.3 78.1 14.4 32 58 A N B > -J 126 0C 1 94,-0.3 4,-2.2 -2,-0.2 3,-0.3 -0.664 38.8 -92.5-118.2 176.3 -45.2 79.8 13.1 33 59 A I H > S+ 0 0 5 92,-2.3 4,-2.4 1,-0.2 5,-0.1 0.712 124.2 53.7 -66.7 -19.8 -43.0 79.3 10.0 34 60 A W H > S+ 0 0 2 2,-0.2 4,-2.5 91,-0.2 5,-0.3 0.836 105.1 53.3 -86.5 -30.8 -40.6 77.0 11.9 35 61 A D H > S+ 0 0 2 -3,-0.3 4,-1.9 2,-0.2 5,-0.3 0.951 113.7 45.7 -55.6 -47.2 -43.5 74.8 13.0 36 62 A T H X S+ 0 0 29 -4,-2.2 4,-2.8 1,-0.2 5,-0.5 0.943 113.6 47.1 -64.8 -47.6 -44.4 74.6 9.3 37 63 A L H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 7,-0.2 0.945 116.3 42.4 -60.8 -49.6 -40.9 74.0 8.1 38 64 A T H < S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.816 120.4 43.0 -73.6 -24.2 -40.1 71.2 10.6 39 65 A H H < S+ 0 0 73 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.869 126.3 29.0 -84.0 -40.3 -43.5 69.6 10.2 40 66 A E H < S+ 0 0 128 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.735 129.6 35.2 -93.9 -25.8 -43.9 69.7 6.4 41 67 A H >< + 0 0 61 -4,-2.5 3,-2.5 -5,-0.5 4,-0.3 -0.405 56.8 150.3-129.6 59.3 -40.2 69.6 5.3 42 68 A P G > S+ 0 0 59 0, 0.0 3,-1.6 0, 0.0 6,-0.5 0.765 71.1 72.7 -63.4 -19.4 -38.2 67.4 7.7 43 69 A D G 3 S+ 0 0 130 1,-0.3 4,-0.1 -3,-0.1 -5,-0.1 0.634 90.6 59.5 -66.4 -13.1 -36.0 66.7 4.7 44 70 A Y G < S+ 0 0 39 -3,-2.5 2,-0.4 -7,-0.2 -1,-0.3 0.568 100.1 66.4 -85.2 -10.1 -34.6 70.2 5.2 45 71 A V S X S- 0 0 9 -3,-1.6 3,-2.5 -4,-0.3 383,-0.2 -0.913 92.8-102.5-120.6 137.8 -33.4 69.5 8.7 46 72 A V G > S- 0 0 39 381,-2.8 3,-1.7 -2,-0.4 384,-0.3 -0.313 108.8 -0.8 -56.1 131.2 -30.7 67.2 10.0 47 73 A D G 3 S- 0 0 141 1,-0.3 -1,-0.3 382,-0.1 3,-0.1 0.557 115.8 -85.9 66.1 8.8 -32.3 64.1 11.5 48 74 A G G < S+ 0 0 31 -3,-2.5 -1,-0.3 -6,-0.5 -2,-0.2 0.846 76.8 177.7 60.4 30.1 -35.8 65.5 10.6 49 75 A A < - 0 0 13 -3,-1.7 2,-0.3 -7,-0.2 -1,-0.2 -0.276 12.8-164.4 -67.2 155.1 -35.6 67.3 14.0 50 76 A T - 0 0 35 -3,-0.1 4,-0.5 -11,-0.0 3,-0.4 -0.915 30.7-128.2-130.6 164.3 -38.3 69.7 15.2 51 77 A G S S+ 0 0 2 -2,-0.3 -29,-0.3 -17,-0.2 -27,-0.1 0.079 72.2 119.0 -90.3 21.4 -38.6 72.3 17.9 52 78 A D S S- 0 0 48 1,-0.1 -28,-1.0 -30,-0.1 -29,-0.6 0.883 100.0 -3.3 -57.1 -39.4 -41.8 70.6 19.2 53 79 A I S > S+ 0 0 85 -3,-0.4 3,-2.7 -31,-0.3 4,-0.2 0.674 85.3 155.7-115.8 -48.9 -40.1 70.1 22.5 54 80 A A T 3 S- 0 0 1 -4,-0.5 -34,-0.2 1,-0.3 -33,-0.1 -0.272 85.1 -18.4 54.2-130.4 -36.6 71.4 22.2 55 81 A D T 3 S- 0 0 0 -35,-0.4 -1,-0.3 -36,-0.2 -34,-0.2 0.459 85.6-127.9 -83.1 -0.3 -35.3 72.3 25.8 56 82 A D X> + 0 0 30 -3,-2.7 4,-2.5 -36,-0.2 3,-1.1 0.799 53.4 156.2 56.7 34.0 -38.9 72.4 27.0 57 83 A S H 3> + 0 0 0 -37,-2.4 4,-0.7 1,-0.3 -36,-0.2 0.696 61.0 72.3 -67.6 -15.0 -38.2 75.9 28.4 58 84 A Y H 34 S+ 0 0 20 -37,-2.4 -1,-0.3 -38,-0.2 3,-0.2 0.926 116.6 22.6 -59.4 -43.0 -42.0 76.7 28.2 59 85 A H H <4 S+ 0 0 85 -3,-1.1 3,-0.3 -38,-0.4 -2,-0.2 0.788 129.7 47.1 -89.0 -30.2 -42.3 74.3 31.2 60 86 A L H >X + 0 0 38 -4,-2.5 3,-1.5 1,-0.2 4,-1.5 0.090 66.4 122.2-106.2 22.0 -38.7 74.5 32.5 61 87 A Y H 3X S+ 0 0 33 -4,-0.7 4,-2.2 1,-0.3 -1,-0.2 0.823 72.8 59.9 -59.1 -30.6 -38.1 78.2 32.5 62 88 A K H 3> S+ 0 0 116 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.846 103.0 52.7 -65.5 -30.4 -37.3 78.1 36.3 63 89 A E H <> S+ 0 0 90 -3,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.860 105.9 53.5 -71.0 -36.0 -34.5 75.7 35.5 64 90 A D H X S+ 0 0 2 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.920 109.8 47.8 -62.0 -42.7 -33.1 78.2 33.0 65 91 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.904 108.0 56.0 -64.6 -39.9 -33.1 80.9 35.7 66 92 A K H X S+ 0 0 113 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.922 110.4 43.8 -56.1 -48.8 -31.4 78.5 38.1 67 93 A I H X S+ 0 0 7 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.853 111.4 53.9 -69.7 -32.7 -28.5 77.9 35.7 68 94 A L H X>S+ 0 0 0 -4,-2.2 5,-2.0 2,-0.2 4,-1.4 0.909 110.4 47.8 -63.4 -38.6 -28.3 81.6 34.9 69 95 A K H <5S+ 0 0 129 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.917 111.7 49.4 -69.6 -39.4 -28.0 82.3 38.6 70 96 A E H <5S+ 0 0 114 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.910 111.0 50.2 -64.0 -40.3 -25.4 79.5 39.0 71 97 A L H <5S- 0 0 2 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.800 111.0-124.5 -64.0 -29.8 -23.4 81.0 36.0 72 98 A G T <5 + 0 0 38 -4,-1.4 -3,-0.2 1,-0.2 -61,-0.1 0.668 43.7 176.8 85.8 21.7 -23.6 84.5 37.6 73 99 A A < - 0 0 6 -5,-2.0 -61,-0.2 -6,-0.2 -1,-0.2 -0.321 23.7-166.3 -59.9 135.0 -25.2 86.0 34.6 74 100 A Q S S+ 0 0 77 -63,-3.1 41,-2.6 1,-0.2 2,-0.3 0.698 77.8 29.0 -88.2 -25.7 -26.2 89.7 35.0 75 101 A V E -cd 12 115B 0 -64,-1.0 -62,-1.3 39,-0.2 2,-0.5 -0.989 63.1-158.6-137.2 142.8 -28.3 89.7 31.8 76 102 A Y E -cd 13 116B 0 39,-2.6 41,-2.5 -2,-0.3 2,-0.6 -0.976 10.5-158.2-122.3 116.2 -30.4 87.0 30.1 77 103 A R E +cd 14 117B 0 -64,-2.4 -62,-2.3 -2,-0.5 2,-0.3 -0.847 27.8 152.4 -92.4 122.9 -31.2 87.6 26.4 78 104 A F E - d 0 118B 4 39,-2.2 41,-2.8 -2,-0.6 2,-0.3 -0.887 34.2-124.1-139.6 168.2 -34.2 85.6 25.2 79 105 A S E - d 0 119B 2 -2,-0.3 2,-0.4 39,-0.2 41,-0.2 -0.832 14.4-126.0-117.7 161.6 -36.8 86.1 22.6 80 106 A I - 0 0 0 39,-2.2 2,-0.8 -2,-0.3 42,-0.3 -0.853 24.1-124.6-103.7 133.4 -40.6 86.2 22.6 81 107 A S >> - 0 0 2 -2,-0.4 4,-1.2 1,-0.2 3,-1.2 -0.709 15.6-153.2 -77.7 111.3 -42.6 83.9 20.3 82 108 A W H >> S+ 0 0 1 -2,-0.8 4,-3.3 1,-0.3 3,-0.8 0.906 94.2 48.3 -51.4 -49.8 -44.9 86.2 18.3 83 109 A A H 34 S+ 0 0 0 41,-0.6 -53,-2.5 1,-0.3 -1,-0.3 0.657 104.5 59.8 -74.7 -13.1 -47.5 83.4 17.7 84 110 A R H <4 S+ 0 0 1 -3,-1.2 14,-0.5 -55,-0.3 -1,-0.3 0.767 117.9 31.7 -74.2 -31.3 -47.5 82.5 21.5 85 111 A V H << S+ 0 0 0 -4,-1.2 10,-2.9 -3,-0.8 -2,-0.2 0.856 136.7 23.6 -90.5 -46.8 -48.6 86.1 22.2 86 112 A L S >< S- 0 0 1 -4,-3.3 3,-2.2 8,-0.2 -1,-0.3 -0.856 71.2-173.3-122.0 89.6 -50.7 86.9 19.1 87 113 A P T 3 S+ 0 0 24 0, 0.0 41,-0.2 0, 0.0 -1,-0.1 0.744 86.4 43.6 -64.5 -22.0 -51.7 83.5 17.8 88 114 A E T 3 S- 0 0 95 2,-0.4 2,-1.7 5,-0.4 3,-0.1 0.271 107.9-124.1 -99.1 2.7 -53.2 84.9 14.6 89 115 A G S < S+ 0 0 1 -3,-2.2 -1,-0.1 1,-0.2 58,-0.0 -0.272 87.7 88.4 86.0 -57.2 -50.3 87.3 14.0 90 116 A H S > S- 0 0 68 -2,-1.7 3,-0.7 1,-0.1 -2,-0.4 -0.307 92.1-112.0 -63.6 161.6 -52.6 90.3 14.0 91 117 A D T 3 S+ 0 0 68 1,-0.2 -1,-0.1 -3,-0.1 3,-0.1 0.235 91.0 99.7 -90.8 17.9 -53.3 92.0 17.3 92 118 A N T 3 S+ 0 0 99 1,-0.2 2,-0.5 -6,-0.1 -1,-0.2 0.846 86.4 40.8 -69.7 -32.7 -57.0 91.1 17.5 93 119 A I < - 0 0 71 -3,-0.7 2,-0.5 2,-0.0 -5,-0.4 -0.977 66.7-168.0-122.0 121.4 -56.4 88.1 19.8 94 120 A V - 0 0 64 -2,-0.5 2,-0.9 -8,-0.2 -8,-0.2 -0.949 21.2-136.7-106.2 123.1 -53.9 88.3 22.7 95 121 A N >> - 0 0 24 -10,-2.9 4,-1.8 -2,-0.5 3,-0.8 -0.714 9.9-160.1 -83.4 108.0 -53.2 84.9 24.2 96 122 A Q H 3> S+ 0 0 116 -2,-0.9 4,-2.9 1,-0.3 5,-0.2 0.820 89.8 61.0 -59.7 -31.5 -53.2 85.4 28.0 97 123 A D H 3> S+ 0 0 40 -70,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.899 105.4 48.1 -61.5 -41.0 -51.2 82.2 28.5 98 124 A G H <> S+ 0 0 0 -3,-0.8 4,-2.3 -14,-0.5 5,-0.3 0.920 111.3 49.5 -63.4 -43.7 -48.4 83.7 26.4 99 125 A I H X S+ 0 0 2 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.939 112.7 48.1 -58.5 -47.6 -48.5 86.9 28.5 100 126 A D H X S+ 0 0 72 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.894 109.3 53.6 -61.8 -41.8 -48.4 84.9 31.7 101 127 A Y H X S+ 0 0 10 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.953 112.0 41.7 -60.7 -54.4 -45.5 82.8 30.5 102 128 A Y H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.895 114.9 51.9 -64.9 -34.7 -43.2 85.7 29.6 103 129 A N H X S+ 0 0 29 -4,-2.5 4,-3.0 -5,-0.3 5,-0.2 0.920 109.1 51.6 -61.1 -42.3 -44.3 87.6 32.8 104 130 A N H X S+ 0 0 74 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.931 112.7 44.8 -59.5 -45.0 -43.4 84.5 34.8 105 131 A L H X S+ 0 0 5 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.957 114.9 47.7 -64.4 -48.9 -40.0 84.3 33.2 106 132 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.921 113.7 47.4 -58.2 -45.2 -39.3 88.0 33.6 107 133 A N H X S+ 0 0 73 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.881 111.3 50.9 -66.8 -37.0 -40.4 88.0 37.3 108 134 A E H X S+ 0 0 54 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.2 0.902 110.8 49.2 -65.6 -42.5 -38.3 84.9 38.0 109 135 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 3,-1.1 0.965 112.8 46.4 -59.7 -50.9 -35.3 86.6 36.5 110 136 A L H ><5S+ 0 0 73 -4,-2.6 3,-1.8 1,-0.3 -2,-0.2 0.884 107.6 56.4 -63.7 -37.4 -35.7 89.8 38.4 111 137 A A H 3<5S+ 0 0 83 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.737 111.0 46.4 -64.7 -21.6 -36.3 87.9 41.7 112 138 A N T <<5S- 0 0 51 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.190 122.2-106.6-106.6 14.2 -32.9 86.2 41.1 113 139 A G T < 5S+ 0 0 64 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.712 75.9 133.2 70.2 27.5 -31.2 89.5 40.2 114 140 A I < - 0 0 3 -5,-2.6 -1,-0.2 -6,-0.2 -39,-0.2 -0.914 51.4-133.7-114.0 128.2 -30.9 88.9 36.5 115 141 A E E -d 75 0B 45 -41,-2.6 -39,-2.6 -2,-0.5 2,-0.3 -0.658 18.7-130.9 -82.0 128.5 -31.9 91.6 34.0 116 142 A P E -d 76 0B 1 0, 0.0 44,-0.6 0, 0.0 45,-0.5 -0.616 18.5-170.9 -77.7 138.2 -34.1 90.5 31.0 117 143 A M E -d 77 0B 0 -41,-2.5 -39,-2.2 -2,-0.3 2,-0.5 -0.994 17.2-153.6-125.2 118.9 -33.1 91.5 27.5 118 144 A V E -de 78 162B 0 43,-2.5 45,-2.8 -2,-0.4 2,-0.6 -0.870 14.9-159.5-111.1 121.9 -35.8 90.8 25.0 119 145 A T E -de 79 163B 0 -41,-2.8 -39,-2.2 -2,-0.5 3,-0.2 -0.842 7.8-163.3 -86.2 120.9 -35.6 90.0 21.3 120 146 A M E S+ 0 0 1 43,-3.1 2,-0.5 -2,-0.6 -38,-0.2 0.915 77.5 29.5 -72.6 -43.5 -39.0 90.7 19.8 121 147 A Y E + e 0 165B 3 43,-1.5 45,-2.0 42,-0.4 -1,-0.3 -0.929 56.0 160.4-127.0 105.2 -38.4 88.8 16.5 122 148 A H S S- 0 0 2 -2,-0.5 -104,-0.3 -42,-0.3 -43,-0.1 -0.392 76.6 -73.5-121.1 54.3 -36.0 85.9 16.4 123 149 A W S S+ 0 0 12 43,-0.1 2,-1.0 1,-0.1 -90,-0.1 0.235 98.6 115.9 92.7 -5.9 -37.2 84.2 13.1 124 150 A D + 0 0 1 -91,-0.1 -41,-0.6 -92,-0.1 -42,-0.2 -0.472 41.7 178.5 -97.9 59.3 -40.5 82.6 14.3 125 151 A L - 0 0 0 -2,-1.0 -92,-2.3 1,-0.1 -91,-0.2 -0.379 38.4-103.3 -61.8 134.5 -43.1 84.6 12.1 126 152 A P B >> -J 32 0C 0 0, 0.0 4,-1.8 0, 0.0 3,-1.4 -0.368 25.7-129.2 -54.1 135.0 -46.7 83.5 12.6 127 153 A Q H 3> S+ 0 0 35 -96,-2.5 4,-2.2 1,-0.3 -95,-0.1 0.836 106.5 65.2 -56.9 -34.0 -47.8 81.4 9.7 128 154 A A H 34 S+ 0 0 44 -97,-0.5 -1,-0.3 -41,-0.2 4,-0.3 0.787 105.5 44.0 -60.1 -28.5 -50.9 83.6 9.2 129 155 A L H X4>S+ 0 0 0 -3,-1.4 5,-1.9 2,-0.2 3,-1.0 0.818 109.2 54.7 -85.0 -36.0 -48.5 86.5 8.3 130 156 A Q H ><5S+ 0 0 17 -4,-1.8 3,-2.2 1,-0.2 -2,-0.2 0.853 98.2 66.1 -61.3 -31.1 -46.3 84.4 6.1 131 157 A D T 3<5S+ 0 0 120 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.751 96.8 54.6 -66.3 -19.2 -49.5 83.5 4.2 132 158 A L T < 5S- 0 0 76 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.422 140.4 -82.1 -84.4 -0.0 -49.7 87.1 3.1 133 159 A G T < 5 - 0 0 31 -3,-2.2 -3,-0.2 -4,-0.1 -2,-0.2 0.156 60.1-132.4 118.1 -17.7 -46.2 86.8 1.7 134 160 A G S > > S+ 0 0 82 -2,-0.7 3,-2.2 1,-0.3 4,-0.6 0.660 86.2 81.8 -59.7 -18.4 -44.5 95.7 3.5 139 165 A V H >> S+ 0 0 63 1,-0.3 4,-1.5 2,-0.2 3,-0.5 0.788 78.2 72.6 -57.5 -23.8 -47.8 95.4 5.3 140 166 A L H <> S+ 0 0 0 -3,-2.3 4,-2.4 -6,-0.3 -1,-0.3 0.721 81.6 70.3 -64.4 -20.1 -45.8 93.4 7.9 141 167 A A H <> S+ 0 0 3 -3,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.953 103.0 41.5 -63.8 -42.9 -44.2 96.6 9.1 142 168 A K H S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.5 0.942 113.5 45.5 -65.9 -45.5 -44.9 93.7 24.2 152 178 A F H X5S+ 0 0 0 -4,-3.2 4,-1.8 1,-0.2 5,-0.2 0.924 114.2 49.5 -62.4 -44.7 -44.2 97.2 25.5 153 179 A K H <5S+ 0 0 116 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.912 120.7 33.8 -62.3 -42.4 -47.6 97.5 27.2 154 180 A N H <5S+ 0 0 45 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.801 135.7 16.9 -83.7 -32.6 -47.3 94.1 29.0 155 181 A F H >X5S+ 0 0 0 -4,-2.4 3,-1.8 -5,-0.2 4,-1.8 0.546 95.5 90.7-118.6 -18.1 -43.6 93.8 29.8 156 182 A G T 3<> + 0 0 16 58,-2.4 4,-2.6 -2,-0.5 3,-0.9 0.875 59.3 174.2 45.1 60.4 -30.1 88.7 12.3 168 194 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.839 79.4 67.1 -62.8 -26.1 -32.3 90.0 9.4 169 195 A L H 34 S+ 0 0 18 1,-0.2 4,-0.3 2,-0.2 -2,-0.1 0.882 109.7 36.8 -57.8 -36.8 -29.2 89.3 7.2 170 196 A T H X4 S+ 0 0 29 -3,-0.9 3,-1.5 2,-0.1 4,-0.3 0.941 117.4 47.2 -78.8 -51.3 -29.8 85.6 8.0 171 197 A F H >< S+ 0 0 7 -4,-2.6 3,-1.9 1,-0.3 -2,-0.2 0.808 101.3 65.4 -71.3 -21.0 -33.6 85.4 8.0 172 198 A M G >< S+ 0 0 2 -4,-2.6 3,-2.0 1,-0.3 -1,-0.3 0.824 90.2 69.0 -62.0 -26.0 -33.9 87.4 4.8 173 199 A D G X S+ 0 0 77 -3,-1.5 3,-2.0 -4,-0.3 -1,-0.3 0.647 77.1 79.4 -69.7 -12.2 -32.2 84.4 3.3 174 200 A G G < S+ 0 0 0 -3,-1.9 11,-2.8 1,-0.3 -1,-0.3 0.624 94.8 49.5 -64.6 -12.4 -35.4 82.4 4.0 175 201 A Y G < S+ 0 0 3 -3,-2.0 12,-1.3 9,-0.2 17,-0.4 0.117 103.5 62.8-107.2 15.9 -36.6 84.2 0.8 176 202 A A B < S+K 186 0D 15 -3,-2.0 2,-0.3 10,-0.2 10,-0.3 0.186 101.0 40.7-128.7 19.1 -33.5 83.2 -1.2 177 203 A S > - 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0 0 35 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.295 69.4-123.1 -73.5 156.1 -4.0 94.8 -2.6 238 264 A A H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.880 113.6 55.1 -59.9 -37.7 -6.3 97.8 -2.9 239 265 A E H > S+ 0 0 118 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.892 108.3 45.7 -69.6 -38.5 -8.7 95.7 -5.0 240 266 A D H > S+ 0 0 16 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.904 111.5 53.2 -72.8 -34.8 -9.0 93.0 -2.3 241 267 A R H X S+ 0 0 129 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.926 106.9 52.9 -60.0 -42.8 -9.5 95.7 0.3 242 268 A A H X S+ 0 0 51 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.900 106.0 53.6 -57.4 -40.7 -12.3 97.1 -1.9 243 269 A S H X S+ 0 0 2 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.857 107.7 50.1 -65.8 -35.0 -13.9 93.7 -2.0 244 270 A C H X S+ 0 0 10 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.857 108.7 51.5 -71.9 -36.0 -13.9 93.5 1.8 245 271 A E H X S+ 0 0 74 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.910 108.0 53.0 -63.5 -42.6 -15.5 96.9 2.1 246 272 A N H X S+ 0 0 25 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.923 108.1 52.0 -56.2 -45.0 -18.2 95.7 -0.3 247 273 A Y H X S+ 0 0 12 -4,-1.9 4,-1.2 2,-0.2 5,-0.4 0.955 108.7 48.5 -57.4 -49.9 -18.7 92.7 2.0 248 274 A Q H >X>S+ 0 0 2 -4,-2.4 5,-2.6 1,-0.2 4,-1.9 0.929 115.3 45.1 -57.6 -43.5 -19.2 94.9 5.1 249 275 A Q H 3<>S+ 0 0 14 -4,-2.6 5,-0.8 1,-0.2 -1,-0.2 0.861 113.8 48.1 -71.0 -34.7 -21.6 97.1 3.3 250 276 A F H 3<5S+ 0 0 1 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.566 125.8 27.9 -78.0 -12.9 -23.6 94.3 1.7 251 277 A N H <<5S+ 0 0 5 -4,-1.2 4,-0.3 -3,-0.5 -3,-0.2 0.769 139.2 13.5-116.4 -55.5 -23.9 92.4 5.0 252 278 A L T >X5S+ 0 0 0 -4,-1.9 4,-3.0 -5,-0.4 3,-1.2 0.886 126.0 54.1 -88.0 -46.7 -23.8 94.9 7.9 253 279 A G H 3> S+ 0 0 1 -3,-1.2 4,-0.9 -4,-0.3 -2,-0.2 0.777 128.9 49.7 -96.8 -38.0 -29.2 97.3 7.8 256 282 A A H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.4 0.823 100.8 61.1 -83.4 -26.5 -26.8 99.6 9.7 257 283 A H H X S+ 0 0 28 -4,-2.2 4,-0.9 -5,-0.2 7,-0.4 0.935 106.3 47.0 -64.0 -44.0 -26.4 102.3 7.1 258 284 A P H 4 S+ 0 0 0 0, 0.0 7,-0.4 0, 0.0 -1,-0.2 0.854 127.0 27.2 -61.4 -33.5 -30.1 103.2 7.1 259 285 A I H < S+ 0 0 0 -4,-0.9 42,-2.7 41,-0.2 43,-0.2 0.872 124.2 38.5 -97.5 -43.6 -30.3 103.2 10.9 260 286 A F H < S+ 0 0 12 -4,-3.0 2,-0.2 40,-0.2 -3,-0.2 0.425 97.1 79.0-101.2 -3.5 -26.9 104.1 12.4 261 287 A T S < S- 0 0 10 -4,-0.9 40,-0.2 -5,-0.4 4,-0.1 -0.688 76.5-126.1-101.4 162.2 -25.5 106.8 10.1 262 288 A E S S+ 0 0 170 -2,-0.2 -1,-0.1 1,-0.2 38,-0.1 0.841 111.8 48.7 -69.0 -32.5 -26.3 110.5 9.9 263 289 A E S S- 0 0 122 1,-0.1 -1,-0.2 2,-0.1 37,-0.1 0.849 90.4-169.5 -75.8 -35.8 -27.0 110.1 6.2 264 290 A G + 0 0 2 -7,-0.4 -5,-0.1 1,-0.1 -1,-0.1 -0.288 36.9 95.3 68.0-165.9 -29.3 107.1 6.4 265 291 A D S S- 0 0 33 -7,-0.4 -1,-0.1 31,-0.2 -4,-0.1 0.111 87.9 -52.8 68.2 171.2 -30.5 105.1 3.3 266 292 A Y S S- 0 0 4 1,-0.1 -12,-0.1 -9,-0.1 -11,-0.1 -0.398 74.9 -81.6 -65.4 157.3 -28.8 102.0 2.0 267 293 A P >> - 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