==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-JUL-11 3SUS . COMPND 2 MOLECULE: BETA-HEXOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PAENIBACILLUS; . AUTHOR T.SUMIDA,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INI . 504 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18697.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 342 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 4.6 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 . 1 0.2 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 . 35 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 25.2 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 2 1 2 0 1 0 1 0 2 0 1 0 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 3 3 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 . 1 0 0 0 2 0 1 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 0 0 0 0 1 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 -16 A H 0 0 214 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.0 -26.2 -46.9 13.2 2 -15 A H + 0 0 193 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.825 360.0 178.9-109.3 138.1 -28.5 -43.9 13.6 3 -14 A H + 0 0 168 -2,-0.4 2,-0.3 2,-0.0 0, 0.0 -0.919 3.2 179.8-134.5 157.7 -28.7 -41.0 11.2 4 -13 A H - 0 0 147 -2,-0.3 2,-0.3 0, 0.0 -2,-0.0 -0.989 23.2-124.7-152.6 161.1 -30.7 -37.7 10.8 5 -12 A S - 0 0 110 -2,-0.3 2,-0.3 1,-0.0 -2,-0.0 -0.695 42.6 -95.6 -98.5 159.6 -31.3 -34.6 8.6 6 -11 A S - 0 0 29 -2,-0.3 2,-0.2 1,-0.0 3,-0.1 -0.569 35.8-171.7 -81.4 133.5 -30.9 -31.0 9.9 7 -10 A G - 0 0 52 -2,-0.3 -1,-0.0 1,-0.2 2,-0.0 -0.498 45.2 -63.7-102.1-176.1 -33.8 -29.0 11.1 8 -9 A L - 0 0 100 -2,-0.2 496,-0.2 1,-0.1 -1,-0.2 -0.339 61.9 -98.7 -66.6 153.3 -33.8 -25.3 12.0 9 -8 A V > - 0 0 18 494,-3.0 3,-1.8 1,-0.1 -1,-0.1 -0.575 38.7-111.4 -76.6 128.9 -31.6 -24.3 15.0 10 -7 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.389 101.5 13.5 -58.7 133.0 -33.5 -23.9 18.3 11 -6 A R T 3 S- 0 0 252 -2,-0.1 2,-0.1 -3,-0.0 -2,-0.0 0.584 127.3 -65.9 77.2 13.5 -33.6 -20.2 19.3 12 -5 A G S < S- 0 0 36 -3,-1.8 490,-0.1 491,-0.2 0, 0.0 -0.171 77.5 -28.3 107.0 169.2 -32.4 -18.9 15.9 13 -4 A S - 0 0 29 488,-0.3 491,-0.1 1,-0.2 488,-0.1 -0.258 41.1-140.4 -55.3 136.1 -29.5 -18.8 13.5 14 -3 A H 0 0 103 491,-3.0 -1,-0.2 488,-0.3 487,-0.0 0.710 360.0 360.0 -65.8 -20.7 -26.0 -19.1 14.9 15 -2 A M 0 0 30 490,-0.8 486,-0.1 487,-0.4 471,-0.1 -0.198 360.0 360.0 -76.2 360.0 -25.1 -16.5 12.3 16 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 17 14 A S 0 0 121 0, 0.0 117,-0.1 0, 0.0 134,-0.1 0.000 360.0 360.0 360.0 -40.3 -5.8 -20.1 16.4 18 15 A Q - 0 0 115 115,-0.1 118,-0.3 469,-0.0 116,-0.0 -0.590 360.0-178.5-129.1 78.1 -9.1 -20.4 14.6 19 16 A P - 0 0 17 0, 0.0 2,-0.2 0, 0.0 114,-0.2 -0.298 14.4-153.6 -60.6 153.2 -8.7 -20.5 10.8 20 17 A S - 0 0 6 112,-2.4 2,-0.5 114,-0.2 113,-0.1 -0.633 14.0-174.2-136.2 77.2 -11.9 -20.7 8.7 21 18 A I - 0 0 9 -2,-0.2 108,-0.1 112,-0.1 170,-0.1 -0.619 8.3-158.7 -84.4 124.1 -11.1 -22.3 5.3 22 19 A L S S+ 0 0 1 -2,-0.5 2,-0.2 168,-0.2 -2,-0.1 -0.966 77.2 39.5-148.9 122.0 -14.0 -22.4 2.9 23 20 A P S S- 0 0 0 0, 0.0 -1,-0.1 0, 0.0 444,-0.1 0.516 106.7-111.0 -64.8 157.6 -14.1 -24.3 0.6 24 21 A K - 0 0 47 -2,-0.2 -2,-0.1 1,-0.1 2,-0.1 -0.431 35.9-131.1 -60.1 128.5 -12.7 -27.2 2.6 25 22 A P - 0 0 9 0, 0.0 133,-0.2 0, 0.0 3,-0.1 -0.372 20.5-105.7 -82.2 166.3 -9.2 -28.0 1.3 26 23 A V S S+ 0 0 78 131,-0.3 2,-0.3 1,-0.2 132,-0.2 0.875 101.8 4.0 -59.6 -41.6 -8.0 -31.6 0.4 27 24 A S E +A 157 0A 46 130,-2.1 130,-1.3 2,-0.0 2,-0.3 -0.997 60.9 172.8-147.3 147.0 -5.9 -31.7 3.6 28 25 A Y E +A 156 0A 87 -2,-0.3 2,-0.3 128,-0.2 128,-0.2 -0.887 7.7 171.5-154.1 115.6 -5.2 -29.5 6.5 29 26 A T E -A 155 0A 85 126,-2.2 126,-2.5 -2,-0.3 2,-0.4 -0.954 18.7-146.2-125.7 152.9 -3.2 -30.4 9.6 30 27 A V E -A 154 0A 86 -2,-0.3 124,-0.3 124,-0.2 2,-0.2 -0.947 16.4-175.9-119.9 138.1 -2.1 -28.2 12.5 31 28 A G E - 0 0 36 122,-2.7 122,-0.3 -2,-0.4 2,-0.2 -0.494 39.2 -62.0-118.0-171.5 1.2 -28.5 14.4 32 29 A S E S+ 0 0 111 -2,-0.2 -1,-0.1 120,-0.1 2,-0.1 -0.519 92.9 16.2 -78.8 142.4 2.8 -26.9 17.4 33 30 A G E - 0 0 49 -2,-0.2 120,-2.5 120,-0.1 2,-0.3 -0.300 69.2-110.5 95.6-176.5 3.6 -23.2 17.4 34 31 A Q E -A 152 0A 77 118,-0.3 2,-0.4 -2,-0.1 75,-0.0 -0.993 7.8-126.1-158.2 152.9 2.6 -20.1 15.3 35 32 A F E -A 151 0A 0 116,-3.0 116,-2.5 -2,-0.3 2,-0.5 -0.825 25.2-148.9 -98.3 142.1 3.7 -17.6 12.7 36 33 A V E -A 150 0A 44 74,-0.6 2,-0.7 -2,-0.4 114,-0.2 -0.969 5.1-144.2-116.8 124.6 3.2 -13.9 13.6 37 34 A L + 0 0 2 112,-3.6 112,-0.4 -2,-0.5 2,-0.2 -0.787 31.5 179.1 -83.5 115.5 2.6 -11.4 10.9 38 35 A T > - 0 0 58 -2,-0.7 3,-2.0 48,-0.3 33,-0.0 -0.662 45.0 -96.5-115.7 174.4 4.4 -8.2 12.0 39 36 A K T 3 S+ 0 0 143 1,-0.3 35,-0.4 -2,-0.2 -2,-0.0 0.676 120.9 57.3 -64.5 -18.4 4.9 -4.7 10.5 40 37 A N T 3 S+ 0 0 131 33,-0.1 -1,-0.3 35,-0.1 2,-0.1 0.366 79.6 123.4 -92.9 2.0 8.3 -5.7 9.2 41 38 A A < - 0 0 6 -3,-2.0 35,-0.5 46,-0.1 2,-0.3 -0.361 40.3-167.5 -66.3 141.1 7.0 -8.6 7.1 42 39 A S - 0 0 28 33,-0.2 46,-2.2 42,-0.1 2,-0.6 -0.890 21.1-126.1-119.9 159.7 7.7 -8.7 3.4 43 40 A I E -bc 77 88A 0 33,-2.5 35,-2.9 -2,-0.3 2,-0.4 -0.942 25.7-159.0-103.7 119.5 6.2 -10.9 0.7 44 41 A F E -bc 78 89A 19 44,-3.3 46,-3.1 -2,-0.6 2,-0.4 -0.847 6.9-165.1 -98.8 138.4 8.9 -12.7 -1.3 45 42 A V E +bc 79 90A 1 33,-2.8 35,-1.3 -2,-0.4 2,-0.3 -0.970 12.3 170.7-128.1 141.4 8.1 -14.1 -4.8 46 43 A A E + c 0 91A 9 44,-2.1 46,-1.6 -2,-0.4 47,-0.6 -0.911 2.8 175.4-152.2 118.7 10.0 -16.5 -7.0 47 44 A G - 0 0 12 -2,-0.3 46,-0.1 44,-0.2 6,-0.1 -0.540 47.7 -95.5-112.2-176.9 9.0 -18.2 -10.2 48 45 A N S S+ 0 0 96 -2,-0.2 2,-0.3 44,-0.1 3,-0.0 0.629 105.8 8.1 -78.4 -13.4 10.8 -20.5 -12.7 49 46 A N S > S- 0 0 99 1,-0.0 4,-2.6 0, 0.0 3,-0.2 -0.939 89.8 -91.9-154.7 171.9 11.8 -17.6 -14.9 50 47 A V H > S+ 0 0 120 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.841 121.5 55.2 -62.0 -34.5 11.7 -13.8 -14.8 51 48 A G H > S+ 0 0 42 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.915 111.2 43.9 -63.0 -43.9 8.3 -13.7 -16.6 52 49 A E H > S+ 0 0 32 -3,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.912 111.2 54.0 -71.3 -42.5 6.7 -16.0 -14.0 53 50 A T H X S+ 0 0 22 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.899 106.7 53.2 -53.9 -42.5 8.4 -14.1 -11.2 54 51 A D H X S+ 0 0 70 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.889 109.9 47.1 -61.5 -39.8 6.9 -10.9 -12.6 55 52 A E H X S+ 0 0 78 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.918 112.1 49.8 -67.6 -43.9 3.4 -12.4 -12.6 56 53 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.859 104.9 59.5 -60.0 -37.4 3.9 -13.7 -9.0 57 54 A F H X S+ 0 0 45 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.913 105.1 48.5 -57.8 -44.7 5.0 -10.2 -8.1 58 55 A N H X S+ 0 0 100 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.914 111.6 49.3 -60.5 -44.0 1.6 -8.8 -9.2 59 56 A I H X S+ 0 0 8 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.923 110.1 52.1 -60.5 -45.9 -0.1 -11.5 -7.2 60 57 A G H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.884 107.5 51.8 -55.7 -43.4 2.1 -10.6 -4.2 61 58 A Q H X S+ 0 0 96 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.901 108.1 51.4 -64.0 -39.7 1.1 -7.0 -4.5 62 59 A A H X S+ 0 0 45 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.922 112.4 46.8 -59.7 -47.1 -2.6 -7.9 -4.5 63 60 A L H X S+ 0 0 6 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.928 111.3 51.1 -60.1 -47.8 -2.1 -9.9 -1.3 64 61 A A H X S+ 0 0 6 -4,-2.8 4,-3.2 1,-0.2 11,-0.3 0.902 106.9 54.8 -57.7 -44.5 -0.1 -7.1 0.3 65 62 A K H X S+ 0 0 160 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.928 110.6 45.2 -52.4 -50.0 -2.9 -4.7 -0.5 66 63 A K H X S+ 0 0 66 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.911 115.8 46.3 -63.0 -44.4 -5.4 -6.9 1.3 67 64 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 3,-0.4 0.895 110.9 52.1 -66.0 -42.1 -3.1 -7.5 4.3 68 65 A N H X S+ 0 0 37 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.841 100.1 63.5 -63.3 -34.8 -2.2 -3.8 4.6 69 66 A A H < S+ 0 0 38 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.847 116.6 26.6 -62.9 -36.1 -5.9 -2.6 4.7 70 67 A S H < S+ 0 0 0 -4,-0.9 74,-3.2 -3,-0.4 -1,-0.2 0.757 126.3 43.8 -97.9 -31.1 -6.7 -4.5 7.9 71 68 A T H < S- 0 0 10 -4,-2.2 -3,-0.2 72,-0.2 -2,-0.2 0.762 94.7-134.0 -84.3 -24.6 -3.3 -4.6 9.7 72 69 A G < + 0 0 41 -4,-2.0 -4,-0.2 -5,-0.3 -3,-0.1 0.534 63.3 132.5 75.8 8.8 -2.4 -1.0 8.8 73 70 A Y - 0 0 57 -6,-0.4 -1,-0.2 -5,-0.1 -2,-0.1 -0.252 61.1-134.0 -80.1 172.9 1.0 -2.3 7.8 74 71 A T + 0 0 122 -35,-0.4 2,-0.3 -33,-0.1 -9,-0.1 -0.553 31.4 179.6-124.7 66.2 2.9 -1.5 4.6 75 72 A I - 0 0 6 -11,-0.3 2,-0.2 -2,-0.1 -33,-0.2 -0.512 9.6-163.9 -63.6 126.1 4.0 -4.9 3.5 76 73 A S - 0 0 69 -35,-0.5 -33,-2.5 -2,-0.3 2,-0.4 -0.721 14.5-116.3-112.2 171.3 5.9 -4.7 0.3 77 74 A V E -b 43 0A 18 -2,-0.2 2,-0.4 -35,-0.2 -33,-0.2 -0.845 22.4-165.1-117.1 139.9 6.9 -7.4 -2.2 78 75 A V E -b 44 0A 52 -35,-2.9 -33,-2.8 -2,-0.4 2,-1.1 -0.975 21.8-134.3-129.5 132.8 10.4 -8.6 -3.1 79 76 A K E +b 45 0A 109 -2,-0.4 2,-0.3 -35,-0.2 -33,-0.2 -0.790 65.3 111.4 -86.6 98.6 11.6 -10.6 -6.1 80 77 A S - 0 0 31 -35,-1.3 -2,-0.1 -2,-1.1 0, 0.0 -0.927 62.6-145.6-167.1 143.1 13.8 -13.1 -4.3 81 78 A N S S+ 0 0 105 -2,-0.3 -35,-0.1 1,-0.2 -2,-0.0 0.092 87.1 83.6 -97.4 19.7 14.0 -16.7 -3.4 82 79 A Q - 0 0 148 2,-0.0 -1,-0.2 0, 0.0 7,-0.0 -0.537 65.8-173.3-119.3 66.1 15.7 -15.9 -0.1 83 80 A P - 0 0 27 0, 0.0 2,-0.2 0, 0.0 6,-0.1 -0.269 15.7-134.3 -64.3 151.2 12.9 -15.0 2.3 84 81 A T > - 0 0 89 1,-0.1 3,-1.7 4,-0.1 -42,-0.1 -0.541 39.1 -71.9-101.8 160.4 13.8 -13.7 5.7 85 82 A A T 3 S+ 0 0 75 1,-0.3 27,-0.2 -2,-0.2 -1,-0.1 -0.323 123.5 27.8 -56.4 135.3 12.3 -14.8 9.0 86 83 A G T 3 S+ 0 0 18 25,-3.7 -48,-0.3 1,-0.3 -1,-0.3 0.474 97.5 130.7 87.8 5.9 8.7 -13.4 9.3 87 84 A S E < - d 0 112A 0 -3,-1.7 26,-2.1 24,-0.7 2,-0.4 -0.501 57.1-134.4 -87.9 156.1 8.2 -13.4 5.5 88 85 A I E -cd 43 113A 2 -46,-2.2 -44,-3.3 24,-0.2 2,-0.5 -0.932 27.1-159.0 -98.4 136.0 5.4 -14.8 3.3 89 86 A Y E -cd 44 114A 28 24,-3.2 26,-3.0 -2,-0.4 2,-0.5 -0.978 10.1-170.2-125.0 122.4 7.0 -16.6 0.4 90 87 A L E +cd 45 115A 0 -46,-3.1 -44,-2.1 -2,-0.5 2,-0.3 -0.966 20.2 161.5-116.2 120.4 5.1 -17.3 -2.8 91 88 A T E -cd 46 116A 6 24,-2.6 26,-2.5 -2,-0.5 -44,-0.2 -0.980 39.9-169.2-141.9 150.1 6.8 -19.7 -5.3 92 89 A T > + 0 0 3 -46,-1.6 3,-1.0 -2,-0.3 2,-0.7 0.236 58.6 118.2-111.4 5.3 6.1 -21.9 -8.3 93 90 A V T 3 S+ 0 0 73 -47,-0.6 25,-0.1 1,-0.2 -2,-0.0 -0.669 88.0 1.4 -79.6 112.3 9.5 -23.6 -8.2 94 91 A G T 3 S+ 0 0 69 -2,-0.7 -1,-0.2 1,-0.2 24,-0.1 0.653 85.6 178.7 87.0 18.9 9.0 -27.3 -7.5 95 92 A G < - 0 0 20 -3,-1.0 2,-1.0 22,-0.5 -1,-0.2 -0.116 39.2-107.4 -47.5 143.4 5.2 -27.4 -7.5 96 93 A N > - 0 0 80 20,-0.3 3,-2.6 1,-0.2 4,-0.2 -0.709 27.9-154.7 -78.0 104.8 3.5 -30.7 -7.1 97 94 A A G > S+ 0 0 82 -2,-1.0 3,-1.9 1,-0.3 -1,-0.2 0.750 87.6 71.0 -56.8 -26.5 2.2 -31.4 -10.6 98 95 A A G 3 S+ 0 0 81 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.728 90.0 62.9 -63.5 -19.2 -0.6 -33.7 -9.2 99 96 A L G <> S- 0 0 20 -3,-2.6 4,-0.8 1,-0.2 3,-0.3 0.570 97.4-153.0 -84.9 -5.8 -2.2 -30.6 -7.8 100 97 A G T X4 - 0 0 31 -3,-1.9 3,-0.6 -4,-0.2 18,-0.5 -0.027 41.3 -40.4 65.9-170.5 -2.8 -29.1 -11.3 101 98 A N T 34 S+ 0 0 88 1,-0.2 21,-0.8 17,-0.1 18,-0.4 0.801 139.8 36.0 -62.2 -35.1 -3.1 -25.5 -12.4 102 99 A E T 34 S+ 0 0 12 -3,-0.3 -1,-0.2 19,-0.1 -2,-0.2 0.487 98.6 100.5-101.0 -4.3 -5.2 -24.3 -9.5 103 100 A G << + 0 0 0 -4,-0.8 15,-0.8 -3,-0.6 16,-0.4 -0.292 42.9 167.6 -84.2 166.5 -3.6 -26.4 -6.7 104 101 A Y E -EF 117 158A 0 54,-2.0 54,-1.9 13,-0.2 2,-0.4 -0.985 32.7-126.9-166.2 158.1 -1.1 -25.5 -4.1 105 102 A D E -EF 116 157A 37 11,-2.6 11,-2.8 -2,-0.3 2,-0.4 -0.939 23.4-168.0-108.3 144.1 0.7 -26.5 -0.9 106 103 A L E +EF 115 156A 0 50,-2.7 50,-2.1 -2,-0.4 2,-0.5 -0.938 7.7 179.0-138.1 109.3 0.6 -23.9 1.9 107 104 A I E -EF 114 155A 64 7,-2.8 7,-2.7 -2,-0.4 2,-0.5 -0.964 9.1-165.0-122.2 123.6 2.9 -24.6 4.8 108 105 A T E +EF 113 154A 0 46,-2.6 46,-1.7 -2,-0.5 5,-0.2 -0.936 12.9 171.9-111.7 122.2 3.2 -22.2 7.8 109 106 A T - 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0 0 38 -2,-0.3 3,-1.7 1,-0.1 4,-0.3 -0.269 27.9-118.2 -60.4 146.4 -14.5 -33.7 -3.4 473 470 A R G > S+ 0 0 125 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.866 112.4 59.8 -57.4 -38.8 -17.9 -35.2 -2.7 474 471 A G G 3 S+ 0 0 86 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.680 107.1 47.5 -63.5 -18.7 -16.4 -37.8 -0.2 475 472 A D G < S+ 0 0 64 -3,-1.7 2,-0.4 -451,-0.1 -1,-0.3 0.321 92.2 98.3-103.3 2.7 -15.1 -34.9 1.9 476 473 A R < + 0 0 31 -3,-1.6 2,-0.3 -4,-0.3 -8,-0.0 -0.782 40.2 159.6 -96.6 137.8 -18.4 -32.9 2.0 477 474 A N > - 0 0 84 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.922 36.0-142.6-159.7 122.0 -20.7 -33.2 4.9 478 475 A W H > S+ 0 0 13 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.883 102.2 54.4 -58.1 -43.5 -23.4 -30.7 5.9 479 476 A D H > S+ 0 0 81 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.904 113.2 44.3 -59.4 -40.0 -22.9 -31.1 9.7 480 477 A D H > S+ 0 0 49 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.957 115.8 45.8 -65.1 -54.6 -19.2 -30.2 9.1 481 478 A F H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.901 109.4 55.7 -57.2 -45.2 -19.9 -27.3 6.7 482 479 A K H X S+ 0 0 39 -4,-3.3 4,-2.2 2,-0.2 -1,-0.2 0.925 110.1 44.5 -55.2 -49.3 -22.6 -25.9 9.0 483 480 A E H X S+ 0 0 105 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.916 114.1 50.0 -65.0 -41.8 -20.2 -25.6 12.0 484 481 A R H X S+ 0 0 27 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.867 109.0 53.4 -61.1 -37.3 -17.4 -24.2 9.8 485 482 A L H X S+ 0 0 0 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.911 105.2 52.6 -66.8 -42.2 -19.9 -21.6 8.4 486 483 A I H >< S+ 0 0 33 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.941 110.7 48.9 -53.8 -49.2 -20.9 -20.5 11.9 487 484 A E H 3< S+ 0 0 57 -4,-2.0 4,-0.2 1,-0.2 -1,-0.2 0.859 110.5 51.5 -57.1 -36.5 -17.1 -20.0 12.6 488 485 A H H >X S+ 0 0 0 -4,-1.7 3,-2.0 1,-0.2 4,-1.2 0.695 83.1 94.4 -78.0 -21.2 -16.8 -18.1 9.3 489 486 A T H S+ 0 0 48 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.818 104.5 57.5 -56.1 -28.8 -17.6 -12.8 11.6 491 488 A R H <> S+ 0 0 4 -3,-2.0 4,-1.8 -4,-0.2 -2,-0.2 0.908 104.1 50.1 -70.6 -38.9 -15.6 -12.8 8.4 492 489 A L H <>S+ 0 0 0 -4,-1.2 5,-2.1 -3,-0.4 4,-0.3 0.939 112.4 48.5 -58.7 -45.7 -18.7 -12.2 6.3 493 490 A Q H ><5S+ 0 0 105 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.929 109.3 52.9 -56.5 -48.3 -19.5 -9.3 8.7 494 491 A N H 3<5S+ 0 0 30 -4,-2.5 -353,-0.5 1,-0.3 -1,-0.2 0.802 104.6 55.3 -63.1 -32.5 -15.9 -8.0 8.4 495 492 A K T 3<5S- 0 0 20 -4,-1.8 -1,-0.3 -355,-0.1 -2,-0.2 0.496 115.6-114.9 -77.7 -4.8 -16.2 -7.9 4.6 496 493 A G T < 5 + 0 0 33 -3,-1.8 2,-0.4 -4,-0.3 -3,-0.2 0.699 60.0 158.5 76.6 21.3 -19.3 -5.7 4.8 497 494 A I < - 0 0 4 -5,-2.1 2,-1.6 -6,-0.2 -1,-0.3 -0.646 40.2-145.2 -81.4 127.2 -21.5 -8.5 3.3 498 495 A K + 0 0 124 -2,-0.4 -39,-0.1 -47,-0.1 -1,-0.1 -0.466 39.4 172.0 -91.9 64.2 -25.1 -8.0 4.1 499 496 A F - 0 0 37 -2,-1.6 2,-0.5 1,-0.1 -43,-0.2 -0.187 37.8-105.6 -71.4 161.8 -25.7 -11.8 4.3 500 497 A F - 0 0 36 -41,-2.5 2,-1.7 -44,-0.7 -1,-0.1 -0.793 23.7-133.8 -87.9 129.0 -28.8 -13.6 5.5 501 498 A A - 0 0 38 -2,-0.5 -488,-0.3 -486,-0.1 -1,-0.0 -0.627 30.6-149.9 -80.7 86.2 -28.5 -15.1 8.9 502 499 A D > - 0 0 0 -2,-1.7 3,-2.1 1,-0.2 -487,-0.4 -0.393 10.2-144.0 -68.2 122.8 -30.0 -18.4 7.9 503 500 A P T 3 S+ 0 0 29 0, 0.0 -494,-3.0 0, 0.0 -1,-0.2 0.563 97.4 67.1 -62.5 -9.8 -31.8 -20.2 10.8 504 501 A I T 3 0 0 9 -496,-0.2 -2,-0.1 -491,-0.1 -22,-0.0 0.512 360.0 360.0 -85.5 -6.9 -30.7 -23.6 9.4 505 502 A V < 0 0 0 -3,-2.1 -491,-3.0 -496,-0.1 -490,-0.8 -0.919 360.0 360.0-103.4 360.0 -27.1 -22.6 10.3