==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-JUL-00 1E4I . COMPND 2 MOLECULE: BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS POLYMYXA; . AUTHOR J.SANZ-APARICIO,B.GONZALEZ,J.A.HERMOSO,J.C.ARRIBAS,F.J.CANAD . 447 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16637.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 34 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.9 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 2 2 1 0 0 4 0 0 1 0 1 1 2 0 0 1 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 2 4 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 . 3 0 3 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 . 1 2 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 2 A T 0 0 110 0, 0.0 444,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 143.2 34.3 84.2 7.9 2 3 A I E -A 444 0A 89 442,-0.2 2,-0.5 440,-0.0 442,-0.2 -0.870 360.0-167.3 -89.3 133.9 33.9 84.6 11.7 3 4 A F E -A 443 0A 27 440,-3.7 440,-2.5 -2,-0.5 2,-0.5 -0.923 6.5-163.8-125.0 99.0 32.0 82.0 13.6 4 5 A Q E -A 442 0A 105 -2,-0.5 438,-0.2 438,-0.2 437,-0.1 -0.754 10.2-148.2 -84.0 126.7 31.2 83.2 17.1 5 6 A F - 0 0 5 436,-2.3 2,-0.0 -2,-0.5 377,-0.0 -0.499 29.7 -80.9 -93.6 160.5 30.1 80.4 19.5 6 7 A P > - 0 0 53 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.327 39.0-117.5 -56.2 145.9 27.7 80.6 22.5 7 8 A Q T 3 S+ 0 0 167 1,-0.3 -2,-0.1 -3,-0.1 0, 0.0 0.858 114.5 41.2 -51.7 -43.6 29.0 82.0 25.8 8 9 A D T 3 S+ 0 0 126 2,-0.1 -1,-0.3 385,-0.0 2,-0.0 0.229 80.6 141.8 -98.7 23.2 28.4 78.7 27.6 9 10 A F < - 0 0 10 -3,-2.3 2,-0.8 1,-0.1 384,-0.2 -0.335 50.5-130.0 -64.8 133.4 29.5 76.4 24.8 10 11 A M E -b 393 0B 6 382,-2.1 384,-2.4 63,-0.0 2,-0.4 -0.822 22.9-167.4 -96.2 109.7 31.4 73.4 26.3 11 12 A W E +b 394 0B 9 -2,-0.8 62,-2.6 382,-0.2 63,-1.8 -0.812 23.9 138.2 -93.6 137.5 34.8 72.7 24.6 12 13 A G E -bc 395 74B 0 382,-2.7 384,-2.1 -2,-0.4 2,-0.3 -0.802 41.3-123.1-154.1-168.3 36.6 69.5 25.4 13 14 A T E -bc 396 75B 0 61,-0.7 63,-2.8 382,-0.3 2,-0.3 -0.906 24.9-141.8-140.5 167.2 38.6 66.5 24.2 14 15 A A E +bc 397 76B 0 382,-2.0 385,-1.1 -2,-0.3 384,-0.6 -0.967 20.7 164.1-140.7 142.7 37.8 62.7 24.5 15 16 A T - 0 0 0 61,-1.9 2,-0.3 -2,-0.3 -2,-0.0 -0.815 25.2-131.9-134.5-179.3 39.6 59.4 25.2 16 17 A A > - 0 0 0 -2,-0.3 4,-1.1 61,-0.2 3,-0.4 -0.987 23.3-118.6-137.1 153.2 38.7 55.9 26.2 17 18 A A H >> S+ 0 0 1 -2,-0.3 4,-2.8 1,-0.3 3,-0.8 0.871 109.0 43.6 -58.4 -54.4 40.2 53.8 28.9 18 19 A Y H 34 S+ 0 0 8 102,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.808 111.3 57.5 -68.3 -24.2 41.6 50.8 27.0 19 20 A Q H 34 S+ 0 0 0 -3,-0.4 384,-2.0 1,-0.1 -1,-0.2 0.728 125.6 11.7 -77.3 -24.7 43.0 53.1 24.3 20 21 A I H << S+ 0 0 6 -4,-1.1 36,-2.4 -3,-0.8 34,-0.8 0.673 108.2 73.8-120.7 -31.2 45.2 55.2 26.6 21 22 A E < + 0 0 9 -4,-2.8 36,-2.5 -5,-0.3 37,-0.4 0.911 55.9 177.6 -69.5 -47.3 45.6 53.8 30.1 22 23 A G + 0 0 3 -5,-0.4 -1,-0.2 28,-0.3 31,-0.1 -0.550 44.5 106.7 74.2-146.6 47.9 50.8 29.8 23 24 A A > + 0 0 15 -2,-0.2 3,-1.1 1,-0.2 6,-0.2 0.861 45.2 168.8 37.5 49.3 48.7 49.1 33.1 24 25 A Y T 3 S+ 0 0 46 1,-0.3 -1,-0.2 26,-0.1 27,-0.1 0.553 73.8 32.1 -69.8 -20.3 46.4 46.3 31.9 25 26 A Q T > S+ 0 0 135 6,-0.0 3,-0.7 3,-0.0 -1,-0.3 0.245 96.5 116.0-111.7 3.8 47.5 43.9 34.7 26 27 A E G X S+ 0 0 69 -3,-1.1 3,-1.7 1,-0.2 -4,-0.0 -0.495 75.9 3.7 -84.9 145.7 48.1 46.5 37.4 27 28 A D G 3 S- 0 0 52 1,-0.3 69,-0.3 -2,-0.2 -1,-0.2 0.789 129.3 -55.6 57.4 36.3 46.3 46.8 40.7 28 29 A G G < S+ 0 0 45 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.587 82.7 167.5 78.4 11.9 44.1 43.8 40.2 29 30 A R < - 0 0 20 -3,-1.7 54,-0.3 -6,-0.2 -1,-0.2 -0.351 27.1-140.0 -58.9 129.2 42.6 44.9 36.8 30 31 A G - 0 0 13 52,-2.6 2,-0.2 1,-0.1 57,-0.1 -0.554 25.9 -92.3 -79.6 169.2 40.8 42.0 35.2 31 32 A L - 0 0 78 -2,-0.2 94,-2.8 55,-0.1 95,-0.5 -0.537 37.0-150.7 -82.7 143.7 41.0 41.3 31.5 32 33 A S B >> -K 124 0C 0 92,-0.3 4,-2.0 -2,-0.2 3,-0.5 -0.603 34.2 -99.5-101.9 173.2 38.4 42.7 29.1 33 34 A I H 3> S+ 0 0 8 90,-2.6 4,-2.6 1,-0.2 5,-0.1 0.839 124.6 56.3 -63.2 -22.1 37.2 41.2 25.9 34 35 A W H 3> S+ 0 0 0 2,-0.2 4,-2.8 89,-0.2 -1,-0.2 0.821 102.4 53.0 -83.0 -29.9 39.6 43.7 24.1 35 36 A D H <> S+ 0 0 0 -3,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.974 113.9 44.8 -59.3 -49.8 42.6 42.3 26.0 36 37 A T H < S+ 0 0 49 -4,-2.0 -2,-0.2 1,-0.2 4,-0.2 0.928 115.9 46.8 -61.4 -42.9 41.6 38.9 24.8 37 38 A F H >< S+ 0 0 9 -4,-2.6 3,-1.7 1,-0.3 6,-0.3 0.935 113.5 45.6 -69.7 -48.7 40.9 40.2 21.3 38 39 A A H 3< S+ 0 0 4 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.727 108.9 58.1 -69.2 -20.7 44.1 42.1 20.9 39 40 A H T 3< S+ 0 0 78 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.467 89.4 92.1 -86.9 2.1 46.0 39.2 22.3 40 41 A T S X> S- 0 0 55 -3,-1.7 3,-1.7 -4,-0.2 4,-0.5 -0.826 86.3-114.7 -98.8 124.4 44.6 37.0 19.5 41 42 A P T 34 S+ 0 0 123 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.293 98.0 21.6 -58.2 134.5 46.8 36.7 16.4 42 43 A G T 34 S+ 0 0 83 2,-0.3 3,-0.1 -4,-0.1 -4,-0.1 0.227 100.7 90.8 97.0 -12.1 45.2 38.2 13.3 43 44 A K T <4 S+ 0 0 89 -3,-1.7 2,-0.4 -6,-0.3 -5,-0.1 0.839 87.3 33.3 -85.8 -40.9 42.7 40.5 15.1 44 45 A V S >< S- 0 0 7 -4,-0.5 3,-2.5 -6,-0.2 -2,-0.3 -0.973 97.3 -94.2-122.0 138.4 44.7 43.7 15.5 45 46 A F G > S- 0 0 111 361,-2.8 3,-2.0 -2,-0.4 364,-0.2 -0.160 107.3 -2.1 -53.7 132.2 47.2 45.1 13.0 46 47 A N G 3 S- 0 0 125 1,-0.3 -1,-0.3 362,-0.1 3,-0.1 0.536 118.4 -80.8 66.9 8.9 50.8 44.1 13.9 47 48 A G G < S+ 0 0 46 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.746 79.6 167.5 62.6 21.9 49.5 42.4 17.0 48 49 A D < + 0 0 29 -3,-2.0 2,-0.3 358,-0.1 -1,-0.2 -0.329 8.1 177.5 -57.3 152.8 49.3 45.7 18.8 49 50 A N - 0 0 37 2,-0.2 4,-0.4 -3,-0.1 -14,-0.1 -0.909 42.4-102.3-151.3 174.0 47.5 45.8 22.1 50 51 A G S S+ 0 0 1 -2,-0.3 2,-0.4 -16,-0.2 -28,-0.3 0.081 74.1 121.7 -95.6 21.8 46.5 48.0 24.9 51 52 A N S S- 0 0 37 1,-0.1 2,-2.4 -28,-0.1 -2,-0.2 -0.726 99.1 -8.5 -65.7 138.3 49.1 46.7 27.4 52 53 A V S > S+ 0 0 82 -2,-0.4 3,-3.2 2,-0.1 5,-0.2 -0.325 86.8 160.4 69.2 -63.2 50.9 50.0 28.0 53 54 A A T 3 S- 0 0 3 -2,-2.4 -33,-0.2 -4,-0.4 -32,-0.1 -0.184 82.4 -20.5 47.2-121.4 49.2 52.3 25.3 54 55 A C T 3 S- 0 0 0 -34,-0.8 -1,-0.3 -4,-0.1 -33,-0.1 0.286 85.7-127.1 -93.6 1.8 49.8 55.9 26.4 55 56 A D X> + 0 0 21 -3,-3.2 4,-2.2 1,-0.1 3,-1.7 0.805 54.7 154.9 56.1 36.0 50.5 54.7 30.0 56 57 A S H 3> + 0 0 1 -36,-2.4 4,-0.7 1,-0.3 -35,-0.2 0.597 59.8 75.7 -73.6 -9.7 47.8 57.2 31.1 57 58 A Y H 34 S+ 0 0 4 -36,-2.5 -1,-0.3 -37,-0.3 -35,-0.1 0.853 115.8 20.5 -61.1 -33.5 47.3 55.0 34.2 58 59 A H H <4 S+ 0 0 80 -3,-1.7 3,-0.3 -37,-0.4 -2,-0.2 0.716 127.7 49.6-104.9 -26.5 50.6 56.5 35.3 59 60 A R H >X + 0 0 89 -4,-2.2 4,-1.8 -38,-0.2 3,-0.8 0.242 69.2 114.3-105.7 20.2 50.9 59.7 33.3 60 61 A Y H 3X S+ 0 0 25 -4,-0.7 4,-2.7 1,-0.3 5,-0.2 0.818 70.7 61.8 -66.4 -27.5 47.5 61.3 33.8 61 62 A E H 3> S+ 0 0 106 -3,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.904 107.1 44.4 -66.3 -38.8 48.8 64.2 35.7 62 63 A E H <> S+ 0 0 58 -3,-0.8 4,-2.9 2,-0.2 -1,-0.2 0.918 112.2 52.7 -66.5 -46.9 50.8 65.4 32.6 63 64 A D H X S+ 0 0 4 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.894 111.6 46.4 -55.6 -45.7 47.8 64.7 30.4 64 65 A I H X S+ 0 0 3 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.879 110.0 52.9 -68.4 -37.2 45.7 66.9 32.6 65 66 A R H X S+ 0 0 139 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.966 112.4 46.7 -61.7 -43.1 48.3 69.6 32.8 66 67 A L H X S+ 0 0 16 -4,-2.9 4,-0.7 1,-0.2 -2,-0.2 0.882 113.9 45.7 -63.4 -44.3 48.4 69.6 28.9 67 68 A M H X>S+ 0 0 1 -4,-2.4 5,-1.2 2,-0.2 4,-0.6 0.845 109.2 57.4 -73.0 -25.1 44.6 69.7 28.6 68 69 A K H ><5S+ 0 0 80 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.943 106.8 47.6 -69.9 -38.9 44.5 72.4 31.2 69 70 A E H 3<5S+ 0 0 78 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.670 98.9 69.9 -75.4 -10.9 46.8 74.6 29.1 70 71 A L H 3<5S- 0 0 0 -4,-0.7 -1,-0.3 -5,-0.2 369,-0.2 0.766 107.8-127.6 -73.5 -21.6 44.6 73.8 26.1 71 72 A G T <<5 + 0 0 41 -3,-1.2 -3,-0.1 -4,-0.6 -60,-0.1 0.608 53.6 156.9 84.3 18.3 41.9 76.0 27.8 72 73 A I < - 0 0 8 -5,-1.2 -1,-0.2 1,-0.1 -60,-0.2 -0.254 37.4-155.2 -75.3 152.8 39.3 73.2 27.6 73 74 A R S S+ 0 0 72 -62,-2.6 40,-2.8 1,-0.2 2,-0.3 0.639 73.0 33.8-105.7 -27.1 36.3 73.0 29.9 74 75 A T E -cd 12 113B 0 -63,-1.8 -61,-0.7 38,-0.2 2,-0.4 -0.970 56.4-159.5-118.2 164.8 35.4 69.2 29.8 75 76 A Y E -cd 13 114B 11 38,-1.8 40,-2.2 -2,-0.3 2,-0.5 -0.991 11.8-154.3-139.6 118.9 37.3 66.0 29.4 76 77 A R E +cd 14 115B 0 -63,-2.8 -61,-1.9 -2,-0.4 2,-0.3 -0.864 29.1 152.0 -92.4 126.7 35.5 62.9 28.3 77 78 A F E - d 0 116B 9 38,-1.6 40,-3.1 -2,-0.5 2,-0.3 -0.909 33.1-126.7-142.2 166.6 37.0 59.7 29.4 78 79 A S E - d 0 117B 1 -2,-0.3 2,-0.5 38,-0.2 40,-0.2 -0.843 18.1-116.7-120.3 162.5 35.7 56.2 30.1 79 80 A V - 0 0 1 38,-1.9 2,-1.2 -2,-0.3 41,-0.4 -0.822 22.6-127.3 -99.0 126.2 35.9 53.8 33.1 80 81 A S >> - 0 0 1 -2,-0.5 3,-2.0 1,-0.2 4,-0.9 -0.638 19.6-158.4 -69.7 100.6 37.6 50.5 32.8 81 82 A W H >> S+ 0 0 1 -2,-1.2 4,-3.0 1,-0.3 3,-1.5 0.907 88.9 54.6 -47.5 -49.2 34.9 48.2 34.0 82 83 A P H 34 S+ 0 0 0 0, 0.0 -52,-2.6 0, 0.0 -1,-0.3 0.553 100.2 60.3 -72.9 -2.6 37.4 45.4 34.9 83 84 A R H <4 S+ 0 0 3 -3,-2.0 13,-0.6 -54,-0.3 14,-0.2 0.717 115.7 35.1 -78.7 -32.1 39.5 47.8 37.1 84 85 A I H << S+ 0 0 0 -3,-1.5 9,-2.5 -4,-0.9 13,-0.1 0.848 139.6 15.1 -89.9 -46.2 36.4 48.2 39.2 85 86 A F S >< S- 0 0 2 -4,-3.0 3,-3.0 7,-0.2 -1,-0.2 -0.776 71.3-168.9-129.7 84.6 34.9 44.7 39.0 86 87 A P T 3 S+ 0 0 21 0, 0.0 40,-0.4 0, 0.0 39,-0.2 0.778 92.3 27.4 -50.6 -34.3 37.7 42.4 37.6 87 88 A N T 3 S- 0 0 74 4,-0.3 -56,-0.0 39,-0.1 0, 0.0 0.158 114.9-106.3-105.0 18.8 35.3 39.5 37.0 88 89 A G S < S+ 0 0 14 -3,-3.0 4,-0.1 -7,-0.1 57,-0.1 0.937 83.2 142.9 50.0 57.0 32.3 41.8 36.5 89 90 A D S S- 0 0 81 2,-0.3 3,-0.1 52,-0.0 -1,-0.1 0.340 72.3-113.8-120.1 -18.8 31.7 40.3 39.9 90 91 A G S S+ 0 0 31 1,-0.2 2,-1.0 51,-0.1 -5,-0.0 0.279 87.9 113.6 81.7 -13.1 30.2 42.4 42.6 91 92 A E - 0 0 130 2,-0.0 -2,-0.3 0, 0.0 -4,-0.3 -0.803 66.1-144.3 -90.1 99.5 33.6 42.0 44.2 92 93 A V - 0 0 67 -2,-1.0 2,-0.7 -7,-0.1 -7,-0.2 -0.329 7.2-143.0 -70.1 146.9 34.8 45.6 44.0 93 94 A N > - 0 0 24 -9,-2.5 4,-1.5 1,-0.1 3,-0.2 -0.924 10.6-167.1-107.7 106.1 38.5 46.5 43.4 94 95 A Q H > S+ 0 0 96 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.839 85.1 60.6 -64.1 -31.4 39.2 49.6 45.6 95 96 A K H > S+ 0 0 115 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.930 103.3 51.9 -65.2 -37.0 42.5 50.3 43.8 96 97 A G H > S+ 0 0 1 -13,-0.6 4,-1.4 -69,-0.3 3,-0.3 0.912 110.8 47.0 -60.7 -46.9 40.6 50.7 40.5 97 98 A L H X S+ 0 0 3 -4,-1.5 4,-2.1 -14,-0.2 -2,-0.2 0.903 107.1 58.7 -58.7 -41.1 38.2 53.2 42.2 98 99 A D H X S+ 0 0 57 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.821 101.1 55.7 -61.4 -33.4 41.2 55.1 43.7 99 100 A Y H X S+ 0 0 8 -4,-1.5 4,-2.5 -3,-0.3 -1,-0.2 0.960 108.8 45.5 -64.3 -48.3 42.6 55.7 40.2 100 101 A Y H X S+ 0 0 2 -4,-1.4 4,-3.0 1,-0.2 5,-0.2 0.845 109.9 55.0 -70.8 -25.3 39.5 57.4 39.0 101 102 A H H X S+ 0 0 29 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.929 108.6 49.4 -69.0 -37.6 39.2 59.4 42.2 102 103 A R H X S+ 0 0 101 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.946 115.7 42.6 -64.4 -46.6 42.8 60.6 41.5 103 104 A V H X S+ 0 0 6 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.975 116.8 46.0 -62.0 -56.6 41.9 61.5 37.9 104 105 A V H X S+ 0 0 1 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.871 112.5 50.1 -58.4 -39.2 38.5 63.1 38.7 105 106 A D H X S+ 0 0 62 -4,-2.7 4,-3.1 -5,-0.2 -1,-0.2 0.921 111.3 49.2 -69.6 -39.6 39.9 65.2 41.6 106 107 A L H X S+ 0 0 40 -4,-2.0 4,-1.3 -5,-0.3 -2,-0.2 0.935 112.4 48.4 -60.0 -46.7 42.8 66.4 39.5 107 108 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.4 2,-0.2 3,-1.3 0.978 114.5 44.9 -57.0 -53.0 40.2 67.4 36.7 108 109 A N H ><5S+ 0 0 67 -4,-3.0 3,-1.9 1,-0.3 -2,-0.2 0.906 109.4 56.5 -61.5 -38.4 38.0 69.1 39.3 109 110 A D H 3<5S+ 0 0 129 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.782 108.6 48.7 -58.4 -29.8 41.1 70.8 40.8 110 111 A N T <<5S- 0 0 43 -3,-1.3 -1,-0.3 -4,-1.3 -2,-0.2 0.284 118.6-109.2 -98.3 9.7 41.8 72.2 37.4 111 112 A G T < 5S+ 0 0 59 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.736 75.7 135.9 68.7 27.8 38.4 73.5 36.7 112 113 A I < - 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0 0 0 -2,-1.1 -90,-2.6 1,-0.1 -89,-0.2 -0.346 43.5-102.2 -57.6 128.6 33.4 44.1 29.0 124 125 A P B >> -K 32 0C 0 0, 0.0 4,-1.5 0, 0.0 3,-0.7 -0.363 24.0-131.3 -48.8 134.2 35.2 41.9 31.6 125 126 A Q H 3> S+ 0 0 35 -94,-2.8 4,-3.1 1,-0.2 5,-0.2 0.863 105.5 67.0 -58.1 -34.4 36.2 38.7 29.9 126 127 A A H 3> S+ 0 0 36 -95,-0.5 4,-0.8 -40,-0.4 -1,-0.2 0.894 103.3 44.5 -54.4 -42.1 34.6 36.8 32.8 127 128 A L H X4>S+ 0 0 22 -3,-0.7 5,-2.5 2,-0.2 3,-0.6 0.877 110.7 53.3 -72.1 -36.1 31.2 38.1 31.7 128 129 A Q H ><5S+ 0 0 32 -4,-1.5 3,-2.6 3,-0.3 -2,-0.2 0.895 98.2 65.6 -66.4 -35.5 31.9 37.3 28.1 129 130 A D H 3<5S+ 0 0 119 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.853 104.1 46.3 -54.2 -30.7 32.8 33.7 29.2 130 131 A A T <<5S- 0 0 62 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.382 143.0 -75.2 -90.0 1.0 29.1 33.4 30.2 131 132 A G T X 5 - 0 0 35 -3,-2.6 3,-1.8 -4,-0.1 -3,-0.3 0.418 58.6-134.7 121.3 -12.4 27.9 34.9 26.9 132 133 A G T 3 S- 0 0 45 -4,-0.2 3,-1.7 1,-0.1 -2,-0.5 -0.874 79.5-144.4-106.0 123.6 23.3 37.0 28.4 136 137 A R T >> S+ 0 0 68 -2,-0.5 4,-1.1 1,-0.3 3,-1.0 0.762 95.2 74.0 -61.2 -18.9 20.8 39.0 30.3 137 138 A R H 3> S+ 0 0 194 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.857 87.1 63.5 -65.2 -22.9 22.8 38.5 33.5 138 139 A T H <> S+ 0 0 2 -3,-1.7 4,-2.9 1,-0.2 -1,-0.3 0.847 94.2 61.4 -67.7 -31.4 25.3 41.0 32.1 139 140 A I H <> S+ 0 0 10 -3,-1.0 4,-2.4 -4,-0.5 -1,-0.2 0.974 106.8 43.4 -54.8 -54.1 22.5 43.6 32.2 140 141 A Q H X S+ 0 0 145 -4,-1.1 4,-2.0 1,-0.2 -2,-0.2 0.884 112.2 54.5 -62.6 -39.0 22.3 43.2 36.0 141 142 A A H X S+ 0 0 18 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.903 108.8 48.3 -62.1 -40.4 26.1 43.2 36.2 142 143 A F H X S+ 0 0 0 -4,-2.9 4,-3.2 2,-0.2 5,-0.2 0.908 107.2 55.0 -67.7 -43.1 26.3 46.5 34.3 143 144 A V H X S+ 0 0 17 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.908 108.5 48.8 -61.0 -35.7 23.7 48.2 36.5 144 145 A Q H X S+ 0 0 83 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.879 111.7 49.7 -67.4 -41.6 25.8 47.3 39.6 145 146 A F H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.978 114.5 44.5 -57.2 -50.8 28.9 48.7 37.9 146 147 A A H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.927 113.5 50.3 -59.8 -49.4 27.0 51.9 37.0 147 148 A E H X S+ 0 0 38 -4,-3.0 4,-2.7 -5,-0.2 5,-0.2 0.930 108.0 53.3 -56.6 -45.2 25.4 52.1 40.5 148 149 A T H X S+ 0 0 21 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.904 112.1 45.2 -55.9 -44.3 28.9 51.7 42.1 149 150 A M H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.897 112.0 51.1 -68.2 -41.1 30.2 54.6 40.0 150 151 A F H < S+ 0 0 0 -4,-2.7 4,-0.4 2,-0.2 63,-0.2 0.895 115.1 43.6 -62.3 -42.5 27.1 56.8 40.7 151 152 A R H >< S+ 0 0 149 -4,-2.7 3,-0.6 -5,-0.2 -2,-0.2 0.940 117.3 44.6 -71.4 -45.4 27.5 56.2 44.4 152 153 A E H 3< S+ 0 0 75 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.802 123.0 33.3 -63.9 -41.4 31.3 56.6 44.6 153 154 A F T >X S+ 0 0 0 -4,-2.3 3,-2.5 -5,-0.2 4,-1.4 0.236 79.0 146.5-111.2 17.1 31.6 59.7 42.4 154 155 A H B <4 S+l 157 0D 95 -3,-0.6 4,-0.1 -4,-0.4 58,-0.1 -0.260 77.2 10.5 -50.5 126.0 28.3 61.4 43.3 155 156 A G T 34 S+ 0 0 39 2,-0.5 -1,-0.3 58,-0.1 3,-0.1 0.346 117.1 75.4 86.2 -12.3 28.9 65.2 43.2 156 157 A K T <4 S+ 0 0 59 -3,-2.5 2,-0.4 1,-0.2 -2,-0.2 0.633 96.6 45.5 -99.1 -23.5 32.3 64.9 41.6 157 158 A I B < +l 154 0D 2 -4,-1.4 -2,-0.5 -7,-0.1 -1,-0.2 -0.991 54.0 173.9-123.3 128.5 30.9 64.1 38.1 158 159 A Q + 0 0 79 -44,-0.5 57,-2.6 -2,-0.4 2,-0.4 0.437 67.6 58.5-112.1 -6.6 28.0 66.0 36.6 159 160 A H E +ef 115 215B 17 -45,-0.6 -43,-2.7 55,-0.2 2,-0.4 -0.990 63.4 175.1-129.7 123.4 27.9 64.5 33.0 160 161 A W E -ef 116 216B 0 55,-2.1 57,-2.2 -2,-0.4 2,-0.4 -0.980 14.9-169.4-128.6 146.8 27.4 60.7 32.5 161 162 A L E -ef 117 217B 0 -45,-2.8 -43,-2.8 -2,-0.4 -42,-0.4 -0.996 9.9-158.2-132.8 132.8 27.0 58.5 29.4 162 163 A T E S+ 0 0 0 55,-2.4 -43,-1.9 -2,-0.4 2,-0.4 0.989 75.2 14.2 -71.7 -57.6 26.0 54.9 29.7 163 164 A F E -e 119 0B 0 54,-0.2 56,-2.4 -45,-0.2 2,-0.6 -0.926 60.9-144.3-129.9 136.4 27.3 53.5 26.4 164 165 A N E S- f 0 219B 0 -45,-2.2 5,-0.2 -2,-0.4 -43,-0.1 -0.928 82.2 -16.5 -95.5 116.4 29.6 54.8 23.7 165 166 A E >> - 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