==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-FEB-12 4AIE . COMPND 2 MOLECULE: GLUCAN 1,6-ALPHA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS ACIDOPHILUS NCFM; . AUTHOR F.FREDSLUND,J.C.NAVARRO POULSEN,L.LO LEGGIO . 537 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21435.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 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 . 30 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 0 3 2 1 1 0 0 2 1 3 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 4 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 PARALLEL BRIDGES PER LADDER . 6 2 0 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 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 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 A 0 0 110 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.6 -16.9 14.8 16.3 2 3 A S > - 0 0 54 1,-0.1 3,-2.0 2,-0.1 4,-0.5 -0.235 360.0-119.9 -58.3 138.7 -15.3 16.7 19.2 3 4 A W G > S+ 0 0 57 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.750 106.1 61.2 -58.7 -30.3 -14.1 20.1 18.0 4 5 A W G 3 S+ 0 0 32 1,-0.2 3,-0.5 2,-0.2 -1,-0.3 0.663 88.8 70.7 -77.2 -14.2 -10.4 19.6 18.8 5 6 A K G < S+ 0 0 44 -3,-2.0 -1,-0.2 1,-0.2 341,-0.2 0.830 108.7 36.6 -62.3 -32.9 -10.0 16.6 16.4 6 7 A N S < S+ 0 0 60 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.379 104.6 104.5 -97.5 -3.6 -10.4 19.0 13.6 7 8 A A - 0 0 2 -3,-0.5 2,-0.4 -4,-0.3 36,-0.1 -0.382 56.4-148.3 -90.2 158.7 -8.4 21.9 15.2 8 9 A V - 0 0 0 34,-0.2 36,-2.7 339,-0.1 37,-1.1 -0.995 21.3-151.2-118.6 128.9 -5.0 23.5 14.9 9 10 A V E -ab 45 349A 0 339,-2.5 341,-2.9 -2,-0.4 2,-0.4 -0.809 4.5-158.2-102.7 140.7 -3.6 24.9 18.2 10 11 A Y E -ab 46 350A 0 35,-2.8 37,-2.1 -2,-0.4 2,-0.6 -0.978 12.0-141.6-119.2 124.9 -1.2 27.8 18.4 11 12 A Q E -ab 47 351A 2 339,-2.8 341,-2.1 -2,-0.4 2,-0.6 -0.791 12.8-164.6 -91.5 121.1 1.0 28.3 21.5 12 13 A V E -a 48 0A 0 35,-2.4 37,-2.4 -2,-0.6 3,-0.1 -0.922 10.8-156.7-100.8 124.0 1.6 31.8 22.7 13 14 A Y > - 0 0 5 -2,-0.6 3,-1.7 35,-0.2 4,-0.4 -0.893 18.9-155.2 -92.2 102.5 4.4 32.4 25.1 14 15 A P G >> S+ 0 0 2 0, 0.0 3,-1.0 0, 0.0 4,-0.6 0.787 82.5 57.3 -64.7 -35.9 2.9 35.6 26.6 15 16 A K G 34 S+ 0 0 21 1,-0.2 11,-3.0 44,-0.1 408,-0.3 0.706 118.8 34.7 -60.4 -26.0 6.1 37.4 27.9 16 17 A S G <4 S+ 0 0 4 -3,-1.7 391,-3.0 9,-0.2 -1,-0.2 0.271 100.9 77.1-114.6 7.7 7.5 37.2 24.4 17 18 A F T <4 S- 0 0 0 -3,-1.0 2,-0.3 -4,-0.4 -2,-0.1 0.970 105.7 -19.8 -87.6 -61.3 4.6 37.7 22.1 18 19 A Q < - 0 0 16 -4,-0.6 9,-2.3 9,-0.2 2,-0.4 -0.856 49.1-152.2-157.6 113.8 3.6 41.4 22.0 19 20 A D + 0 0 10 398,-2.1 7,-0.2 7,-0.3 -4,-0.0 -0.685 18.3 172.8 -77.6 133.8 4.3 44.2 24.4 20 21 A S S S+ 0 0 65 5,-0.4 -1,-0.1 -2,-0.4 6,-0.1 0.450 71.3 44.3-121.7 -4.6 1.5 46.8 24.2 21 22 A N S S- 0 0 106 4,-0.3 397,-0.1 0, 0.0 5,-0.0 0.241 107.1-105.2-131.5 13.1 2.4 49.2 27.0 22 23 A G S S+ 0 0 37 3,-0.1 399,-0.1 1,-0.1 396,-0.1 0.794 83.9 113.1 79.0 31.3 6.2 49.8 26.7 23 24 A D S S- 0 0 63 2,-0.3 3,-0.1 397,-0.1 -1,-0.1 0.355 85.4-112.5-111.2 4.0 7.7 47.7 29.5 24 25 A G S S+ 0 0 0 1,-0.2 399,-2.8 398,-0.1 2,-0.4 0.565 85.6 106.8 82.0 6.1 9.5 45.2 27.3 25 26 A I S S- 0 0 31 397,-0.2 -5,-0.4 398,-0.1 -4,-0.3 -0.974 73.9-117.1-120.5 128.1 7.3 42.4 28.5 26 27 A G - 0 0 0 -11,-3.0 -7,-0.3 -2,-0.4 2,-0.2 -0.325 40.6-174.9 -60.3 148.4 4.5 40.8 26.3 27 28 A D > - 0 0 5 -9,-2.3 4,-1.6 1,-0.1 -9,-0.2 -0.825 38.5 -95.1-143.2 175.6 1.0 41.2 27.7 28 29 A L H > S+ 0 0 0 45,-2.4 4,-2.6 -2,-0.2 5,-0.1 0.863 119.8 52.3 -67.4 -38.5 -2.6 40.3 27.3 29 30 A Q H > S+ 0 0 63 44,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.877 106.7 56.8 -66.6 -32.8 -3.6 43.4 25.3 30 31 A G H 4 S+ 0 0 0 -12,-0.3 4,-0.4 2,-0.2 -2,-0.2 0.919 107.4 46.8 -61.3 -42.9 -0.7 42.7 23.0 31 32 A I H >< S+ 0 0 0 -4,-1.6 3,-1.9 -13,-0.2 -2,-0.2 0.945 110.2 53.4 -65.2 -46.8 -2.2 39.2 22.3 32 33 A I H >< S+ 0 0 22 -4,-2.6 3,-1.6 1,-0.3 4,-0.3 0.892 103.3 57.6 -51.8 -41.1 -5.6 40.7 21.7 33 34 A S T 3< S+ 0 0 74 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.601 107.3 49.1 -71.0 -9.2 -4.1 43.2 19.2 34 35 A R T <> S+ 0 0 68 -3,-1.9 4,-2.0 -4,-0.4 -1,-0.3 0.238 75.7 103.1-113.4 13.3 -2.8 40.2 17.1 35 36 A L H <> S+ 0 0 2 -3,-1.6 4,-2.1 1,-0.2 5,-0.2 0.821 77.7 58.5 -64.8 -30.5 -6.0 38.1 17.0 36 37 A D H > S+ 0 0 122 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.914 106.7 49.1 -62.9 -44.2 -6.6 39.3 13.3 37 38 A Y H > S+ 0 0 18 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.928 110.6 48.6 -59.5 -49.3 -3.3 37.8 12.4 38 39 A L H X>S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 5,-1.6 0.859 111.0 50.7 -63.7 -33.1 -4.0 34.5 14.1 39 40 A E H <5S+ 0 0 81 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.904 107.7 53.9 -70.5 -37.5 -7.4 34.2 12.4 40 41 A K H <5S+ 0 0 99 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.927 107.8 49.0 -59.4 -43.4 -5.7 34.9 9.1 41 42 A L H <5S- 0 0 1 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.905 114.7-129.3 -63.4 -37.6 -3.4 32.0 9.8 42 43 A G T <5 + 0 0 22 -4,-1.9 -3,-0.2 1,-0.2 -34,-0.2 0.622 46.2 160.4 104.1 17.5 -6.5 30.1 10.6 43 44 A I < - 0 0 4 -5,-1.6 -1,-0.2 1,-0.1 -34,-0.2 -0.316 30.6-152.9 -74.8 156.7 -5.8 28.6 14.0 44 45 A D S S+ 0 0 40 -36,-2.7 48,-2.4 1,-0.3 2,-0.3 0.554 71.0 18.2-107.0 -17.2 -8.7 27.4 16.3 45 46 A A E -ac 9 92A 0 -37,-1.1 -35,-2.8 46,-0.3 2,-0.6 -0.979 60.6-138.6-157.2 144.5 -7.2 27.7 19.8 46 47 A I E -ac 10 93A 1 46,-2.8 48,-3.2 -2,-0.3 2,-0.8 -0.944 11.3-150.1-103.6 119.8 -4.4 29.4 21.6 47 48 A W E -ac 11 94A 4 -37,-2.1 -35,-2.4 -2,-0.6 2,-0.6 -0.842 22.6-155.9 -79.6 112.0 -2.5 27.5 24.2 48 49 A L E -ac 12 95A 1 46,-2.6 48,-0.8 -2,-0.8 -35,-0.2 -0.827 7.9-135.1 -94.1 116.0 -1.6 30.4 26.5 49 50 A S - 0 0 1 -37,-2.4 47,-0.1 -2,-0.6 11,-0.1 -0.250 57.2 -53.2 -62.6 166.4 1.5 29.7 28.7 50 51 A P + 0 0 3 0, 0.0 -1,-0.2 0, 0.0 11,-0.1 -0.122 53.2 167.9 -61.2 131.8 1.0 30.8 32.3 51 52 A V + 0 0 0 -3,-0.2 19,-3.0 45,-0.1 22,-0.2 0.154 41.1 120.7-118.3 14.6 -0.1 34.4 33.0 52 53 A Y E S-G 69 0B 7 17,-0.3 17,-0.3 8,-0.2 14,-0.1 -0.372 81.1 -72.7 -76.9 158.9 -0.9 33.8 36.7 53 54 A Q E S+G 65 0B 70 15,-2.4 11,-2.0 12,-0.6 12,-1.1 -0.228 71.1 157.0 -48.3 131.6 0.6 35.7 39.5 54 55 A S - 0 0 15 9,-0.3 9,-0.2 10,-0.2 7,-0.0 -0.935 54.2-132.8-168.0 130.7 4.2 34.4 39.8 55 56 A P - 0 0 54 0, 0.0 8,-0.1 0, 0.0 4,-0.1 0.632 50.8-126.7 -64.9 -15.1 7.6 35.5 41.1 56 57 A G > + 0 0 25 6,-0.6 3,-1.8 2,-0.1 7,-0.1 0.626 65.6 137.9 85.1 12.7 9.0 34.3 37.8 57 58 A V T 3 S+ 0 0 49 1,-0.3 315,-0.4 5,-0.2 108,-0.1 0.895 93.7 22.9 -60.4 -38.4 11.8 31.9 39.1 58 59 A D T > S- 0 0 9 106,-0.1 3,-1.8 4,-0.1 -1,-0.3 -0.260 125.1 -98.3-118.4 42.6 10.7 29.6 36.3 59 60 A N T < S- 0 0 9 -3,-1.8 -44,-0.1 1,-0.3 -2,-0.1 0.791 92.0 -30.7 47.0 42.5 9.1 32.3 34.1 60 61 A G T 3 S+ 0 0 3 2,-0.2 -1,-0.3 -9,-0.1 -8,-0.2 0.199 116.0 97.7 110.0 -15.4 5.5 31.7 35.3 61 62 A Y S < S+ 0 0 5 -3,-1.8 2,-0.6 1,-0.2 -2,-0.1 0.381 73.5 74.4 -84.7 4.9 5.5 28.0 36.0 62 63 A D S S- 0 0 0 40,-0.0 -6,-0.6 41,-0.0 2,-0.5 -0.887 78.8-167.1-112.1 93.0 6.0 28.9 39.7 63 64 A I + 0 0 0 -2,-0.6 40,-2.6 38,-0.3 -9,-0.3 -0.717 26.2 179.7 -95.7 125.6 2.5 30.2 40.5 64 65 A S S S+ 0 0 12 -11,-2.0 43,-0.7 -2,-0.5 2,-0.2 0.543 82.0 21.4 -96.6 -11.2 1.8 32.1 43.7 65 66 A D E > -G 53 0B 62 -12,-1.1 3,-1.1 3,-0.2 -12,-0.6 -0.767 59.4-164.2-157.8 112.7 -2.0 32.6 43.0 66 67 A Y E 3 S+ 0 0 7 1,-0.3 -1,-0.0 -2,-0.2 32,-0.0 0.604 92.0 45.9 -70.1 -15.6 -4.0 30.4 40.6 67 68 A E E 3 S+ 0 0 83 2,-0.1 2,-0.3 -15,-0.0 -1,-0.3 0.017 99.1 77.9-125.3 29.0 -6.9 32.8 40.3 68 69 A A E < S- 0 0 25 -3,-1.1 -15,-2.4 -15,-0.1 2,-0.3 -0.999 73.3-127.9-136.2 140.2 -5.0 36.1 39.9 69 70 A I E -G 52 0B 16 -2,-0.3 -17,-0.3 -17,-0.3 7,-0.1 -0.652 33.2-110.7 -84.3 135.2 -3.4 37.5 36.7 70 71 A D >> - 0 0 18 -19,-3.0 3,-2.4 -2,-0.3 4,-0.8 -0.497 24.7-128.4 -67.8 134.9 0.2 38.6 37.1 71 72 A P T 34 S+ 0 0 105 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.760 104.0 70.5 -62.9 -19.4 0.2 42.4 36.8 72 73 A Q T 34 S+ 0 0 63 1,-0.2 3,-0.1 -45,-0.0 -49,-0.1 0.695 105.0 41.3 -69.1 -13.9 3.0 42.3 34.2 73 74 A Y T <4 S- 0 0 8 -3,-2.4 -45,-2.4 1,-0.4 -44,-0.5 0.607 119.9-106.9-102.3 -14.1 0.4 40.8 31.8 74 75 A G < - 0 0 21 -4,-0.8 -1,-0.4 -3,-0.4 2,-0.2 -0.969 49.4 -48.8 126.7-142.3 -2.5 43.1 32.8 75 76 A T > - 0 0 76 -2,-0.4 4,-1.9 -3,-0.1 3,-0.5 -0.724 48.6 -96.7-128.9 172.5 -5.7 42.3 34.7 76 77 A M H > S+ 0 0 46 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.854 124.3 60.3 -60.2 -35.1 -8.5 39.8 34.9 77 78 A A H > S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.893 104.9 49.0 -58.9 -37.1 -10.5 42.2 32.9 78 79 A D H > S+ 0 0 30 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.905 110.7 49.9 -70.0 -38.3 -7.8 41.8 30.2 79 80 A M H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.923 111.2 48.6 -62.6 -47.5 -8.0 38.0 30.5 80 81 A D H X S+ 0 0 66 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.925 111.2 50.8 -58.8 -43.9 -11.8 38.1 30.2 81 82 A E H X S+ 0 0 73 -4,-2.2 4,-3.5 -5,-0.2 5,-0.3 0.893 107.9 52.3 -63.8 -38.8 -11.5 40.4 27.1 82 83 A L H X S+ 0 0 0 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.957 110.3 48.3 -60.6 -47.9 -9.0 38.1 25.4 83 84 A I H X S+ 0 0 18 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.938 117.3 42.5 -54.9 -47.4 -11.4 35.1 25.9 84 85 A S H X S+ 0 0 66 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.928 117.8 43.5 -70.0 -46.6 -14.3 37.1 24.5 85 86 A K H X S+ 0 0 76 -4,-3.5 4,-1.1 2,-0.2 3,-0.2 0.925 112.6 53.4 -64.3 -44.3 -12.4 38.7 21.6 86 87 A A H ><>S+ 0 0 0 -4,-3.2 5,-1.9 -5,-0.3 3,-1.1 0.937 105.5 54.7 -57.1 -43.8 -10.7 35.5 20.7 87 88 A K H ><5S+ 0 0 162 -4,-2.0 3,-2.1 -5,-0.3 -1,-0.2 0.880 101.8 57.4 -56.9 -38.2 -14.1 33.8 20.5 88 89 A E H 3<5S+ 0 0 124 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.775 107.6 48.8 -64.9 -26.4 -15.3 36.5 18.0 89 90 A H T <<5S- 0 0 28 -3,-1.1 -1,-0.3 -4,-1.1 -2,-0.2 0.220 123.5-107.3 -92.5 11.6 -12.3 35.3 15.9 90 91 A H T < 5S+ 0 0 137 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.893 79.6 130.7 60.9 42.8 -13.3 31.6 16.3 91 92 A I < - 0 0 2 -5,-1.9 -46,-0.3 -8,-0.1 -1,-0.2 -0.991 44.8-152.8-129.7 123.3 -10.4 31.0 18.6 92 93 A K E -c 45 0A 90 -48,-2.4 -46,-2.8 -2,-0.4 2,-0.5 -0.597 17.1-125.6 -87.0 157.3 -10.7 29.3 22.0 93 94 A I E -c 46 0A 3 97,-0.3 99,-3.0 -48,-0.2 100,-0.8 -0.926 18.2-164.5-108.1 121.8 -8.3 29.9 24.9 94 95 A V E -cd 47 193A 0 -48,-3.2 -46,-2.6 -2,-0.5 100,-0.2 -0.935 15.6-147.9-105.4 116.4 -6.5 26.9 26.4 95 96 A M E -cd 48 194A 2 98,-2.1 100,-2.3 -2,-0.6 2,-0.6 -0.562 16.5-114.4 -88.6 152.7 -5.0 27.7 29.8 96 97 A D E - d 0 195A 0 -48,-0.8 2,-0.7 98,-0.2 100,-0.2 -0.755 28.0-155.0 -88.6 117.8 -1.8 26.2 31.2 97 98 A L E - d 0 196A 3 98,-3.2 100,-2.1 -2,-0.6 2,-0.6 -0.886 13.2-178.2-100.4 115.2 -2.7 24.2 34.3 98 99 A V + 0 0 1 -2,-0.7 -35,-0.2 98,-0.2 3,-0.1 -0.787 25.1 140.0-118.5 84.8 0.2 23.9 36.6 99 100 A V + 0 0 1 -2,-0.6 -1,-0.1 98,-0.4 3,-0.1 0.240 47.3 83.1-120.8 14.7 -0.9 21.7 39.6 100 101 A N S S- 0 0 0 1,-0.2 68,-2.6 97,-0.2 2,-0.3 0.768 109.4 -3.6 -79.2 -26.2 2.1 19.5 40.4 101 102 A H B -H 167 0C 1 66,-0.3 -38,-0.3 -40,-0.1 2,-0.3 -0.962 64.8-143.2-159.6 161.5 3.7 22.2 42.4 102 103 A T - 0 0 0 64,-2.0 -38,-0.2 -2,-0.3 2,-0.1 -0.788 37.0 -82.9-121.3 170.0 3.3 25.9 43.4 103 104 A S > - 0 0 0 -40,-2.6 3,-1.3 -2,-0.3 6,-0.3 -0.408 37.1-121.9 -56.8 149.9 5.5 28.8 44.0 104 105 A D T 3 S+ 0 0 26 60,-1.5 -1,-0.1 1,-0.2 61,-0.1 0.527 116.1 61.9 -74.2 -3.6 7.0 28.9 47.5 105 106 A Q T 3 S+ 0 0 122 59,-0.3 -1,-0.2 4,-0.1 2,-0.1 0.374 75.7 116.0-100.1 2.5 5.2 32.2 47.7 106 107 A H S X> S- 0 0 13 -3,-1.3 4,-2.4 -43,-0.2 3,-0.9 -0.484 79.0-119.8 -64.1 141.0 1.8 30.6 47.3 107 108 A K H 3> S+ 0 0 130 -43,-0.7 4,-2.8 1,-0.2 5,-0.2 0.865 112.0 60.0 -50.7 -45.2 -0.2 31.2 50.4 108 109 A W H 3> S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.869 111.3 39.6 -49.2 -43.9 -0.5 27.4 51.0 109 110 A F H <> S+ 0 0 0 -3,-0.9 4,-2.6 -6,-0.3 -2,-0.2 0.847 110.1 56.9 -79.7 -36.5 3.3 27.1 51.2 110 111 A V H < S+ 0 0 68 -4,-2.4 4,-0.4 2,-0.2 -2,-0.2 0.936 115.6 41.7 -55.5 -41.7 3.8 30.3 53.2 111 112 A E H >< S+ 0 0 32 -4,-2.8 3,-2.1 -5,-0.2 4,-0.4 0.966 112.4 51.1 -68.0 -53.0 1.4 28.6 55.6 112 113 A A H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.3 6,-0.2 0.850 103.1 61.9 -55.2 -37.2 2.9 25.1 55.4 113 114 A K T 3< S+ 0 0 88 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.653 85.7 77.7 -60.6 -22.3 6.4 26.5 56.1 114 115 A K T < S- 0 0 114 -3,-2.1 2,-0.3 -4,-0.4 -1,-0.2 0.840 110.4 -59.7 -63.8 -33.3 5.2 27.8 59.5 115 116 A G X - 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0 0 103 -5,-2.6 2,-0.5 1,-0.1 -1,-0.2 -0.461 56.8 -87.8 -72.1 155.9 33.7 20.7 32.1 387 388 A D >> - 0 0 87 1,-0.2 4,-1.4 -2,-0.1 3,-0.5 -0.502 32.6-147.2 -66.7 116.7 34.9 22.7 29.1 388 389 A E H 3> S+ 0 0 98 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.804 96.1 55.9 -58.1 -35.2 33.2 26.1 29.2 389 390 A E H 3> S+ 0 0 145 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 107.6 49.1 -63.8 -42.2 33.0 26.5 25.4 390 391 A E H <> S+ 0 0 97 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.769 107.0 56.6 -69.8 -24.7 31.2 23.2 25.2 391 392 A L H X S+ 0 0 5 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.914 109.1 45.1 -70.2 -45.2 28.7 24.4 27.9 392 393 A I H X S+ 0 0 15 -4,-2.1 4,-2.3 2,-0.2 -29,-0.2 0.917 113.2 51.1 -61.6 -42.8 27.9 27.4 25.9 393 394 A H H X S+ 0 0 81 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.927 107.9 52.6 -60.9 -42.3 27.6 25.2 22.8 394 395 A A H X S+ 0 0 4 -4,-2.4 4,-3.1 1,-0.2 5,-0.4 0.903 110.1 48.2 -62.5 -40.8 25.2 22.9 24.8 395 396 A I H X S+ 0 0 5 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.892 108.8 54.5 -62.5 -40.3 23.1 25.8 25.7 396 397 A N H < S+ 0 0 31 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.819 117.8 35.8 -65.2 -27.8 23.1 27.0 22.0 397 398 A V H < S+ 0 0 35 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.837 137.6 14.1 -91.9 -37.6 21.8 23.5 21.0 398 399 A K H < S+ 0 0 3 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.437 87.4 125.6-120.3 -2.6 19.5 22.6 23.8 399 400 A G >< - 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0 0 7 -5,-0.5 -2,-0.3 -4,-0.3 -1,-0.2 -0.984 47.7-135.1-161.0 155.6 8.4 46.5 21.9 419 420 A E S S+ 0 0 167 -2,-0.3 2,-0.2 -3,-0.1 -5,-0.1 0.583 94.8 50.9 -91.5 -13.6 9.5 50.1 21.8 420 421 A V S S- 0 0 60 1,-0.1 -397,-0.1 -6,-0.1 -398,-0.1 -0.597 113.1 -61.9-111.8 178.6 11.8 49.6 24.8 421 422 A D - 0 0 135 -2,-0.2 -2,-0.1 -399,-0.1 -1,-0.1 -0.459 62.0-123.2 -59.6 121.6 14.5 46.9 25.6 422 423 A P - 0 0 17 0, 0.0 -397,-0.2 0, 0.0 3,-0.1 -0.283 18.4-111.5 -67.5 157.2 12.7 43.6 25.6 423 424 A W S S+ 0 0 64 -399,-2.8 2,-0.4 -408,-0.3 -398,-0.1 0.811 113.7 23.4 -57.4 -30.7 13.0 41.4 28.7 424 425 A L S S- 0 0 11 -400,-0.3 -1,-0.2 -20,-0.1 -55,-0.0 -0.996 105.5-103.1-136.7 130.8 15.1 39.0 26.6 425 426 A S - 0 0 72 -2,-0.4 2,-0.1 -57,-0.1 -2,-0.1 -0.122 35.8-106.7 -67.9 150.7 16.9 40.5 23.6 426 427 A V - 0 0 16 -21,-0.1 -1,-0.1 1,-0.1 -11,-0.1 -0.378 37.0-100.1 -73.0 146.2 15.6 39.9 20.1 427 428 A N > - 0 0 8 -21,-0.3 3,-1.8 1,-0.1 -1,-0.1 -0.519 29.5-131.6 -63.7 127.9 17.3 37.5 17.7 428 429 A P G > S+ 0 0 102 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.693 100.4 71.3 -57.1 -17.3 19.5 39.7 15.4 429 430 A N G >> + 0 0 47 1,-0.2 4,-1.5 2,-0.1 3,-1.2 0.411 63.8 103.7 -84.8 10.0 18.1 37.8 12.3 430 431 A Y G <4 + 0 0 48 -3,-1.8 -1,-0.2 1,-0.3 -3,-0.0 0.720 63.0 76.3 -62.1 -22.4 14.7 39.5 12.7 431 432 A K G <4 S+ 0 0 102 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.887 112.7 21.3 -56.9 -41.9 15.6 41.8 9.7 432 433 A D T <4 S+ 0 0 136 -3,-1.2 2,-0.6 1,-0.2 -1,-0.2 0.589 122.2 61.2-101.0 -15.6 15.0 39.0 7.3 433 434 A I S < S+ 0 0 10 -4,-1.5 2,-0.3 -23,-0.1 -1,-0.2 -0.881 74.4 115.7-116.8 97.0 12.7 36.7 9.4 434 435 A N S > S- 0 0 2 -2,-0.6 4,-2.4 -25,-0.1 -25,-0.3 -0.986 70.4-109.1-159.2 161.6 9.6 38.5 10.4 435 436 A V H > S+ 0 0 7 -27,-2.3 4,-2.7 -2,-0.3 5,-0.2 0.899 113.4 54.2 -63.9 -43.7 5.8 38.3 10.0 436 437 A E H > S+ 0 0 104 -27,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.928 111.8 44.8 -58.7 -46.2 5.5 41.4 7.7 437 438 A N H > S+ 0 0 59 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.915 112.7 51.7 -65.3 -40.9 8.1 40.0 5.3 438 439 A A H >< S+ 0 0 12 -4,-2.4 3,-0.6 1,-0.2 6,-0.4 0.891 109.0 50.2 -64.3 -39.1 6.5 36.6 5.3 439 440 A L H 3< S+ 0 0 50 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.803 107.7 54.4 -67.8 -28.1 3.0 38.0 4.6 440 441 A A H 3< S+ 0 0 83 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.677 100.6 68.3 -77.6 -17.6 4.4 40.0 1.7 441 442 A D X< - 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