==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 31-JAN-00 1EEH . COMPND 2 MOLECULE: UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.A.BERTRAND,E.FANCHON,L.MARTIN,L.CHANTALAT,G.AUGER, . 431 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18747.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 300 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 35 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0 3 0 0 4 1 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 5 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 0 PARALLEL BRIDGES PER LADDER . 2 1 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 1 A A 0 0 80 0, 0.0 2,-0.5 0, 0.0 99,-0.0 0.000 360.0 360.0 360.0 156.9 20.0 26.5 26.8 2 2 A D + 0 0 105 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.858 360.0 162.8-103.1 132.0 18.4 26.8 23.4 3 3 A Y > + 0 0 14 -2,-0.5 3,-2.1 24,-0.1 -1,-0.1 0.352 31.3 134.5-122.7 -2.0 18.6 23.9 20.9 4 4 A Q T 3 S+ 0 0 115 1,-0.3 3,-0.1 25,-0.1 25,-0.1 -0.239 79.6 4.4 -53.2 129.4 15.9 25.1 18.5 5 5 A G T 3 S+ 0 0 84 1,-0.2 2,-0.3 23,-0.2 -1,-0.3 0.592 97.6 134.5 72.2 9.6 16.9 24.8 14.9 6 6 A K < - 0 0 89 -3,-2.1 2,-1.1 60,-0.0 -1,-0.2 -0.690 62.1-122.0 -93.9 148.3 20.3 23.1 15.7 7 7 A N - 0 0 53 -2,-0.3 59,-3.3 57,-0.1 60,-1.8 -0.769 40.0-171.0 -86.3 100.9 21.6 20.1 13.8 8 8 A V E -a 67 0A 2 -2,-1.1 24,-2.3 22,-0.3 2,-0.4 -0.853 10.6-171.2-102.0 134.7 22.1 17.7 16.8 9 9 A V E -ab 68 32A 0 58,-2.2 60,-3.1 -2,-0.4 2,-0.5 -0.984 6.0-159.0-124.5 129.5 23.8 14.4 16.4 10 10 A I E -ab 69 33A 1 22,-2.9 24,-2.3 -2,-0.4 2,-0.6 -0.924 3.1-155.7-110.8 133.0 23.9 11.8 19.2 11 11 A I E +ab 70 34A 4 58,-2.9 60,-2.1 -2,-0.5 24,-0.2 -0.942 64.9 38.3-108.6 120.6 26.5 9.0 19.4 12 12 A G - 0 0 6 22,-3.7 23,-0.2 -2,-0.6 22,-0.1 0.347 55.4-151.6 110.1 120.4 25.4 5.9 21.2 13 13 A L + 0 0 0 4,-0.1 29,-2.5 20,-0.1 30,-0.2 -0.274 62.4 104.2-114.6 42.1 22.0 4.2 21.3 14 14 A G S > S- 0 0 13 27,-0.2 4,-2.4 28,-0.1 5,-0.2 -0.084 97.8 -59.6 -99.0-152.9 22.2 2.7 24.8 15 15 A L H > S+ 0 0 66 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.911 138.9 44.9 -58.5 -46.5 20.4 4.0 27.9 16 16 A T H > S+ 0 0 24 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.930 111.9 51.4 -64.1 -47.8 22.1 7.4 27.7 17 17 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.906 110.2 48.7 -58.4 -44.1 21.6 7.8 24.0 18 18 A L H X S+ 0 0 10 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.901 109.0 52.8 -63.6 -41.2 17.9 7.1 24.2 19 19 A S H X S+ 0 0 4 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.897 110.9 48.4 -61.8 -37.2 17.5 9.5 27.1 20 20 A C H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.932 108.6 52.9 -68.2 -44.3 19.1 12.2 25.0 21 21 A V H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.934 113.3 44.0 -54.7 -47.9 16.9 11.4 22.0 22 22 A D H X S+ 0 0 20 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.862 109.5 56.8 -66.5 -36.6 13.8 11.8 24.2 23 23 A F H < S+ 0 0 10 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.941 113.0 41.0 -58.3 -49.3 15.2 14.9 25.8 24 24 A F H ><>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 3,-2.1 0.929 113.2 51.7 -67.6 -46.8 15.6 16.5 22.4 25 25 A L H ><5S+ 0 0 52 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.873 103.8 59.4 -57.7 -37.9 12.3 15.3 20.9 26 26 A A T 3<5S+ 0 0 75 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.512 106.9 48.9 -71.3 -1.1 10.5 16.7 24.0 27 27 A R T < 5S- 0 0 87 -3,-2.1 -1,-0.3 2,-0.3 -2,-0.2 0.158 124.3-100.7-120.7 15.4 11.9 20.1 23.0 28 28 A G T < 5S+ 0 0 64 -3,-1.8 2,-0.5 1,-0.2 -23,-0.2 0.702 84.3 124.6 74.3 22.4 10.9 19.9 19.3 29 29 A V < - 0 0 8 -5,-2.3 -2,-0.3 -8,-0.1 -1,-0.2 -0.965 47.9-155.2-119.1 124.2 14.3 19.0 18.1 30 30 A T - 0 0 87 -2,-0.5 -22,-0.3 -3,-0.1 2,-0.1 -0.870 19.0-163.2 -98.0 108.7 14.8 15.8 16.0 31 31 A P - 0 0 1 0, 0.0 20,-0.4 0, 0.0 2,-0.4 -0.340 16.6-125.3 -84.8 170.5 18.4 14.6 16.3 32 32 A R E -b 9 0A 47 -24,-2.3 -22,-2.9 18,-0.1 2,-0.3 -0.892 31.5-157.2-109.4 146.4 20.2 12.2 14.1 33 33 A V E +bc 10 52A 0 18,-2.3 20,-1.9 -2,-0.4 2,-0.3 -0.950 16.0 174.8-132.0 151.0 21.8 9.2 15.9 34 34 A M E -bc 11 53A 0 -24,-2.3 -22,-3.7 -2,-0.3 2,-0.3 -0.962 6.7-177.1-145.9 163.2 24.6 6.7 15.4 35 35 A D E -Dc 56 54A 7 18,-1.5 20,-1.4 21,-0.6 21,-0.9 -0.947 30.5-134.1-159.7 138.6 26.4 3.9 17.1 36 36 A T S S+ 0 0 77 -2,-0.3 2,-0.2 19,-0.2 18,-0.1 0.748 86.9 89.9 -69.6 -22.1 29.4 1.8 16.1 37 37 A R S S- 0 0 117 1,-0.1 18,-1.0 17,-0.1 19,-0.2 -0.562 78.5-138.0 -73.1 139.7 27.4 -1.3 17.3 38 38 A M S S+ 0 0 131 1,-0.2 -1,-0.1 16,-0.2 16,-0.1 0.892 96.8 19.2 -65.2 -41.6 25.2 -2.9 14.5 39 39 A T S S- 0 0 113 16,-0.0 -1,-0.2 15,-0.0 5,-0.1 -0.513 79.5-175.0-132.2 68.3 22.3 -3.5 16.9 40 40 A P > - 0 0 6 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.206 41.1-105.1 -58.3 153.1 22.5 -1.3 20.0 41 41 A P T 3 S+ 0 0 51 0, 0.0 3,-0.3 0, 0.0 -27,-0.2 0.775 118.5 49.2 -52.7 -32.2 19.9 -1.9 22.7 42 42 A G T > S+ 0 0 0 -29,-2.5 3,-1.9 1,-0.2 4,-0.5 0.410 79.3 100.0 -91.3 4.3 18.0 1.3 21.8 43 43 A L G X S+ 0 0 45 -3,-2.1 3,-1.1 1,-0.3 -1,-0.2 0.931 87.5 42.4 -55.1 -47.9 17.8 0.7 18.0 44 44 A D G 3 S+ 0 0 112 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.313 104.3 69.2 -83.7 12.4 14.2 -0.6 18.1 45 45 A K G < S+ 0 0 36 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.463 77.6 103.8-104.1 -4.7 13.2 2.1 20.6 46 46 A L S < S- 0 0 13 -3,-1.1 2,-0.2 -4,-0.5 6,-0.0 -0.485 75.3-116.4 -81.9 146.3 13.5 5.0 18.1 47 47 A P > - 0 0 23 0, 0.0 3,-1.9 0, 0.0 -2,-0.1 -0.552 31.8-115.1 -76.2 147.8 10.6 6.7 16.4 48 48 A E T 3 S+ 0 0 192 1,-0.3 -2,-0.1 -2,-0.2 0, 0.0 0.748 111.7 68.9 -54.9 -25.7 10.7 6.2 12.6 49 49 A A T 3 S+ 0 0 80 2,-0.1 2,-0.5 1,-0.0 -1,-0.3 0.742 80.0 92.4 -67.1 -22.9 11.2 10.0 12.1 50 50 A V S < S- 0 0 1 -3,-1.9 2,-0.2 -18,-0.1 -18,-0.1 -0.620 75.6-136.2 -79.2 119.0 14.7 9.7 13.7 51 51 A E - 0 0 101 -2,-0.5 -18,-2.3 -20,-0.4 2,-0.3 -0.546 30.2-174.3 -72.0 136.2 17.5 9.2 11.1 52 52 A R E -c 33 0A 90 -2,-0.2 2,-0.4 -20,-0.2 -18,-0.2 -0.979 21.6-170.0-137.8 149.8 19.9 6.5 12.3 53 53 A H E +c 34 0A 54 -20,-1.9 -18,-1.5 -2,-0.3 2,-0.3 -0.966 17.1 176.3-138.3 117.2 23.2 5.0 11.3 54 54 A T E +c 35 0A 34 -2,-0.4 -16,-0.2 -20,-0.2 -18,-0.2 -0.788 51.7 50.4-121.7 164.5 24.7 2.0 13.0 55 55 A G S S+ 0 0 31 -20,-1.4 2,-0.3 -18,-1.0 -19,-0.2 0.278 119.5 5.7 96.8 -10.2 27.7 -0.3 12.5 56 56 A S B S-D 35 0A 54 -21,-0.9 -21,-0.6 -19,-0.2 2,-0.2 -0.924 93.1 -79.0 178.9 176.2 30.1 2.6 12.4 57 57 A L - 0 0 19 -2,-0.3 2,-0.8 -23,-0.1 -3,-0.1 -0.633 33.4-131.9 -93.5 154.6 30.1 6.4 12.8 58 58 A N > - 0 0 36 -2,-0.2 4,-1.9 -5,-0.1 3,-0.3 -0.885 19.9-171.0-108.4 99.7 28.8 8.6 10.0 59 59 A D H > S+ 0 0 81 -2,-0.8 4,-2.8 1,-0.2 5,-0.2 0.781 81.8 57.6 -62.3 -32.2 31.5 11.3 9.7 60 60 A E H > S+ 0 0 133 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.923 108.3 49.1 -64.5 -41.7 29.5 13.5 7.3 61 61 A W H 4 S+ 0 0 30 -3,-0.3 4,-0.5 2,-0.2 3,-0.4 0.935 113.2 46.3 -62.3 -46.7 26.8 13.7 9.9 62 62 A L H >< S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.943 112.0 49.5 -61.9 -49.1 29.2 14.6 12.6 63 63 A M H 3< S+ 0 0 85 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.681 111.5 50.8 -66.1 -16.3 31.0 17.2 10.6 64 64 A A T 3< S+ 0 0 42 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.480 91.3 110.5 -97.6 -3.7 27.7 18.8 9.6 65 65 A A < - 0 0 8 -3,-1.5 -57,-0.2 -4,-0.5 3,-0.2 -0.258 54.4-159.5 -73.0 156.6 26.5 19.0 13.3 66 66 A D S S+ 0 0 82 -59,-3.3 24,-0.6 1,-0.4 2,-0.3 0.636 89.8 17.1-100.3 -27.2 26.0 22.1 15.4 67 67 A L E -ae 8 90A 4 -60,-1.8 -58,-2.2 22,-0.1 2,-0.5 -0.983 66.3-159.6-148.1 133.0 26.1 20.0 18.5 68 68 A I E -ae 9 91A 0 22,-2.5 24,-2.7 -2,-0.3 2,-0.7 -0.966 6.6-160.1-113.8 127.0 27.4 16.4 19.1 69 69 A V E -ae 10 92A 2 -60,-3.1 -58,-2.9 -2,-0.5 2,-0.5 -0.939 13.9-160.8-110.1 112.4 26.2 14.6 22.2 70 70 A A E -a 11 0A 3 22,-2.9 24,-0.3 -2,-0.7 -58,-0.1 -0.843 12.4-132.8-102.4 123.1 28.6 11.8 22.9 71 71 A S > - 0 0 14 -60,-2.1 3,-1.6 -2,-0.5 -59,-0.0 -0.277 29.7-110.5 -64.1 157.0 27.6 8.8 25.1 72 72 A P T 3 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -60,-0.1 0.776 111.2 72.1 -60.9 -25.6 30.1 7.9 27.8 73 73 A G T 3 S+ 0 0 71 2,-0.1 2,-0.4 89,-0.0 -61,-0.1 0.447 88.3 66.2 -72.5 -3.9 30.9 4.7 25.9 74 74 A I S < S- 0 0 24 -3,-1.6 2,-0.2 -63,-0.1 -63,-0.0 -0.967 85.4-121.1-120.3 137.9 32.8 6.4 23.1 75 75 A A > - 0 0 24 -2,-0.4 3,-2.0 1,-0.1 6,-0.3 -0.571 5.2-138.1 -81.9 140.4 36.1 8.2 23.7 76 76 A L T 3 S+ 0 0 56 1,-0.3 9,-0.2 -2,-0.2 -1,-0.1 0.713 106.9 65.1 -62.5 -22.4 36.6 11.9 22.9 77 77 A A T 3 S+ 0 0 78 109,-0.1 -1,-0.3 4,-0.1 5,-0.1 0.515 71.6 122.1 -78.8 -6.6 40.0 10.8 21.5 78 78 A H S X> S- 0 0 61 -3,-2.0 4,-3.0 1,-0.2 3,-0.6 -0.375 74.0-123.9 -56.6 133.2 38.2 8.8 18.8 79 79 A P H 3> S+ 0 0 99 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.818 110.8 54.1 -50.3 -34.8 39.5 10.2 15.5 80 80 A S H 3> S+ 0 0 13 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.912 114.2 40.5 -67.1 -40.8 36.0 11.1 14.3 81 81 A L H <> S+ 0 0 1 -3,-0.6 4,-2.4 -6,-0.3 -1,-0.2 0.855 112.8 54.4 -75.8 -35.3 35.4 13.1 17.5 82 82 A S H X S+ 0 0 47 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.931 108.6 50.5 -61.4 -46.6 38.8 14.6 17.5 83 83 A A H X S+ 0 0 41 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.938 109.9 48.9 -57.6 -49.4 38.2 15.8 13.9 84 84 A A H <>S+ 0 0 0 -4,-1.8 5,-2.4 1,-0.2 -1,-0.2 0.919 111.1 51.0 -58.7 -42.4 34.9 17.4 14.9 85 85 A A H ><5S+ 0 0 50 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 0.910 106.9 52.3 -61.3 -44.8 36.5 19.1 17.8 86 86 A D H 3<5S+ 0 0 134 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.835 106.1 55.2 -61.6 -33.0 39.3 20.6 15.7 87 87 A A T 3<5S- 0 0 63 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.396 123.8-109.3 -81.3 6.1 36.7 22.0 13.4 88 88 A G T < 5 + 0 0 66 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.727 63.4 154.4 76.8 23.2 35.1 23.7 16.4 89 89 A I < - 0 0 22 -5,-2.4 -1,-0.2 -6,-0.1 -22,-0.1 -0.750 47.5-116.7 -87.7 124.2 32.0 21.6 16.8 90 90 A E E -e 67 0A 92 -24,-0.6 -22,-2.5 -2,-0.5 2,-0.4 -0.347 31.1-166.1 -61.0 135.0 30.6 21.6 20.3 91 91 A I E +e 68 0A 32 -24,-0.2 2,-0.3 -2,-0.1 -22,-0.2 -0.992 15.7 158.3-127.8 129.6 30.7 18.2 22.0 92 92 A V E -e 69 0A 3 -24,-2.7 -22,-2.9 -2,-0.4 2,-0.2 -0.904 26.7-135.1-141.8 170.4 28.8 17.4 25.2 93 93 A G > - 0 0 0 72,-1.0 4,-1.8 -2,-0.3 3,-0.3 -0.656 40.3 -90.0-119.4-179.8 27.4 14.4 27.1 94 94 A D H > S+ 0 0 1 -24,-0.3 4,-2.3 1,-0.2 5,-0.1 0.839 123.4 56.9 -62.2 -33.8 24.1 13.7 28.8 95 95 A I H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.891 105.5 51.8 -65.9 -38.0 25.4 15.0 32.2 96 96 A E H > S+ 0 0 0 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.946 109.8 48.4 -62.0 -47.9 26.3 18.4 30.6 97 97 A L H X S+ 0 0 0 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.903 112.2 51.1 -58.6 -40.4 22.8 18.6 29.1 98 98 A F H >X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 3,-1.0 0.936 106.6 51.7 -63.1 -48.0 21.4 17.8 32.5 99 99 A C H 3< S+ 0 0 19 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.841 104.5 57.4 -60.8 -34.6 23.4 20.4 34.4 100 100 A R H 3< S+ 0 0 65 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.785 117.1 34.8 -66.8 -25.3 22.3 23.1 32.0 101 101 A E H << S+ 0 0 44 -3,-1.0 -2,-0.2 -4,-0.9 -1,-0.2 0.708 86.5 117.5-102.1 -22.8 18.7 22.3 32.9 102 102 A A < - 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0 0 34 -3,-2.1 2,-0.7 1,-0.1 -1,-0.2 -0.477 33.6-136.6 -67.8 122.4 15.3 -7.9 30.9 329 334 A H + 0 0 122 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.1 -0.721 30.6 170.2 -84.7 113.0 15.5 -11.6 30.5 330 335 A V - 0 0 43 -2,-0.7 70,-0.1 1,-0.1 4,-0.1 -0.963 19.2-168.9-125.6 114.4 11.9 -13.1 30.0 331 336 A D S S+ 0 0 120 -2,-0.5 69,-0.2 68,-0.4 -1,-0.1 0.822 78.1 0.5 -72.2 -30.8 11.6 -16.7 29.0 332 337 A G S S- 0 0 17 67,-2.1 2,-0.4 1,-0.2 68,-0.2 0.178 116.2 -19.3-122.5-119.4 7.9 -16.6 28.2 333 338 A T - 0 0 33 64,-0.2 68,-2.2 26,-0.0 2,-0.6 -0.786 53.3-136.1-101.3 142.1 5.4 -13.7 28.3 334 339 A L E -pq 359 401C 12 24,-2.7 26,-3.4 -2,-0.4 2,-0.9 -0.872 10.1-160.8 -99.5 119.9 5.9 -10.5 30.3 335 340 A H E -pq 360 402C 6 66,-3.1 68,-2.5 -2,-0.6 2,-0.5 -0.864 18.5-164.3-100.3 97.6 2.8 -9.5 32.2 336 341 A L E -pq 361 403C 0 24,-3.2 26,-2.7 -2,-0.9 2,-0.6 -0.754 9.8-150.9 -92.8 125.4 3.6 -5.8 32.9 337 342 A L E +pq 362 404C 0 66,-2.8 68,-1.2 -2,-0.5 2,-0.4 -0.831 21.4 174.7 -95.5 123.7 1.6 -3.8 35.5 338 343 A L E +p 363 0C 0 24,-2.4 26,-2.5 -2,-0.6 2,-0.3 -0.978 19.9 90.6-129.2 140.5 1.4 -0.1 34.7 339 344 A G E +p 364 0C 0 67,-1.6 69,-0.4 -2,-0.4 2,-0.3 -0.832 22.2 88.4 156.3 166.4 -0.6 2.6 36.6 340 345 A G S S- 0 0 1 24,-1.2 27,-2.1 -2,-0.3 2,-0.9 -0.898 88.2 -20.7 119.9-150.8 -1.1 5.2 39.2 341 346 A D B S+S 409 0D 35 68,-2.3 68,-2.7 -2,-0.3 70,-0.2 -0.844 78.2 163.5 -98.3 101.7 -0.4 9.0 38.9 342 347 A G - 0 0 10 -2,-0.9 2,-0.8 66,-0.3 66,-0.1 -0.327 48.3 -95.8-107.9-169.5 2.1 9.5 36.1 343 348 A K > - 0 0 100 64,-0.4 3,-2.6 1,-0.2 4,-0.3 -0.853 32.4-167.9-109.6 89.9 3.4 12.3 33.9 344 349 A S G >> S+ 0 0 78 -2,-0.8 3,-2.0 1,-0.3 4,-0.5 0.829 82.5 67.9 -48.5 -37.4 1.3 11.9 30.8 345 350 A A G 34 S+ 0 0 86 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.792 105.0 44.4 -56.2 -25.7 3.6 14.3 28.9 346 351 A D G <4 S+ 0 0 84 -3,-2.6 4,-0.4 1,-0.1 -1,-0.3 0.349 89.8 88.3-102.8 9.0 6.3 11.6 29.1 347 352 A F T X> + 0 0 9 -3,-2.0 3,-1.7 -4,-0.3 4,-0.7 0.917 68.0 73.9 -72.1 -44.2 4.2 8.5 28.2 348 353 A S G >< S+ 0 0 79 -4,-0.5 3,-1.0 1,-0.3 4,-0.5 0.796 92.6 52.6 -43.4 -46.4 4.5 8.5 24.4 349 354 A P G >4 S+ 0 0 21 0, 0.0 3,-1.2 0, 0.0 -1,-0.3 0.843 97.9 68.4 -62.9 -29.5 8.1 7.2 24.2 350 355 A L G X4 S+ 0 0 0 -3,-1.7 3,-2.4 -4,-0.4 4,-0.4 0.828 83.9 71.0 -57.8 -32.4 7.3 4.3 26.5 351 356 A A G X< S+ 0 0 25 -3,-1.0 3,-1.8 -4,-0.7 -1,-0.2 0.862 88.7 63.8 -53.2 -36.8 5.1 2.7 23.8 352 357 A R G < S+ 0 0 60 -3,-1.2 3,-0.3 -4,-0.5 -1,-0.3 0.570 98.0 55.1 -65.9 -10.5 8.2 1.9 21.8 353 358 A Y G < S+ 0 0 37 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.513 97.2 68.2 -97.3 -6.6 9.4 -0.4 24.6 354 359 A L S < S+ 0 0 2 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.1 0.086 71.3 114.6-104.5 24.5 6.2 -2.5 24.5 355 360 A N + 0 0 99 -3,-0.3 3,-0.2 3,-0.1 2,-0.1 -0.407 39.1 71.0 -90.2 167.4 6.4 -4.2 21.1 356 361 A G S S- 0 0 37 1,-0.1 3,-0.4 -2,-0.1 -3,-0.0 -0.360 82.7 -87.3 114.9 165.0 6.7 -7.9 20.5 357 362 A D S S+ 0 0 147 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.480 113.4 63.1 -88.6 -3.9 4.6 -11.0 20.7 358 363 A N S S+ 0 0 91 -3,-0.2 -24,-2.7 -25,-0.1 2,-0.4 -0.129 81.1 89.9-117.7 40.1 5.6 -11.7 24.3 359 364 A V E -p 334 0C 21 -3,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.995 43.1-175.6-140.5 133.3 4.2 -8.8 26.3 360 365 A R E -p 335 0C 102 -26,-3.4 -24,-3.2 -2,-0.4 2,-0.4 -0.990 14.5-148.7-127.3 134.0 0.9 -8.2 28.0 361 366 A L E -pr 336 379C 0 17,-2.7 19,-2.2 -2,-0.4 2,-0.5 -0.847 9.6-170.9-105.8 138.0 -0.1 -4.9 29.7 362 367 A Y E -pr 337 380C 3 -26,-2.7 -24,-2.4 -2,-0.4 2,-0.4 -0.950 18.3-167.8-127.8 106.0 -2.4 -4.6 32.8 363 368 A C E +pr 338 381C 0 17,-3.1 19,-2.6 -2,-0.5 2,-0.2 -0.842 14.4 154.7-107.0 133.5 -3.1 -0.9 33.4 364 369 A F E +p 339 0C 0 -26,-2.5 -24,-1.2 -2,-0.4 3,-0.3 -0.803 28.1 43.7-142.4-180.0 -4.8 0.6 36.4 365 370 A G S > S- 0 0 16 18,-2.3 3,-1.5 17,-0.3 4,-0.3 -0.209 102.6 -30.7 78.3-168.5 -5.2 3.7 38.5 366 371 A R T 3 S+ 0 0 141 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.893 142.2 32.2 -53.9 -49.3 -5.7 7.3 37.5 367 372 A D T 3> S+ 0 0 9 -27,-2.1 4,-2.4 -3,-0.3 -1,-0.3 0.177 83.0 115.6 -99.8 22.7 -3.8 7.1 34.2 368 373 A G H <> S+ 0 0 0 -3,-1.5 4,-3.2 1,-0.2 5,-0.3 0.884 73.5 55.0 -56.0 -42.7 -4.6 3.5 33.4 369 374 A A H > S+ 0 0 43 -3,-0.4 4,-1.7 -4,-0.3 -1,-0.2 0.910 110.7 43.9 -59.8 -45.5 -6.6 4.4 30.3 370 375 A Q H 4 S+ 0 0 82 -3,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.935 115.2 49.3 -65.9 -44.6 -3.7 6.4 28.7 371 376 A L H >< S+ 0 0 0 -4,-2.4 3,-2.3 1,-0.2 4,-0.4 0.961 111.1 48.4 -59.0 -51.3 -1.2 3.7 29.6 372 377 A A H >< S+ 0 0 9 -4,-3.2 3,-1.2 1,-0.3 -1,-0.2 0.859 103.6 64.0 -57.6 -33.2 -3.4 1.0 28.1 373 378 A A T 3< S+ 0 0 64 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.629 80.3 82.1 -68.1 -9.5 -3.7 3.2 25.1 374 379 A L T < S- 0 0 32 -3,-2.3 -1,-0.2 -4,-0.4 -2,-0.2 0.859 122.8 -5.1 -62.7 -35.3 0.1 2.8 24.5 375 380 A R S X S- 0 0 37 -3,-1.2 3,-1.7 -4,-0.4 -1,-0.3 -0.491 75.3-178.1-159.0 77.8 -0.6 -0.5 22.8 376 381 A P G > S+ 0 0 81 0, 0.0 3,-2.2 0, 0.0 -2,-0.1 0.835 72.9 71.2 -46.4 -46.5 -4.3 -1.4 23.1 377 382 A E G 3 S+ 0 0 130 1,-0.3 -4,-0.1 -4,-0.1 -5,-0.0 0.688 110.8 29.0 -52.5 -24.5 -4.1 -4.7 21.4 378 383 A V G < S+ 0 0 10 -3,-1.7 -17,-2.7 -6,-0.2 2,-0.3 0.163 104.5 99.6-121.8 19.9 -2.2 -6.3 24.3 379 384 A A E < -r 361 0C 18 -3,-2.2 2,-0.3 -19,-0.2 -17,-0.2 -0.837 46.8-166.3-115.0 147.2 -3.6 -4.3 27.2 380 385 A E E -r 362 0C 66 -19,-2.2 -17,-3.1 -2,-0.3 2,-0.4 -0.898 15.2-149.0-119.9 150.1 -6.3 -4.8 29.8 381 386 A Q E +r 363 0C 117 -2,-0.3 2,-0.3 -19,-0.2 -17,-0.2 -0.984 22.2 162.3-129.1 126.0 -7.5 -1.9 31.9 382 387 A T - 0 0 23 -19,-2.6 -17,-0.3 -2,-0.4 -14,-0.1 -0.812 42.8-120.4-129.6 170.1 -8.8 -2.1 35.5 383 388 A E S S+ 0 0 137 -2,-0.3 -18,-2.3 -19,-0.2 2,-0.2 0.929 92.5 29.3 -78.4 -46.4 -9.4 0.4 38.3 384 389 A T S > S- 0 0 43 -20,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.720 76.1-119.1-115.7 165.0 -7.1 -1.1 40.8 385 390 A M H > S+ 0 0 2 -2,-0.2 4,-2.5 2,-0.2 5,-0.2 0.876 113.1 57.8 -66.6 -38.1 -3.9 -3.1 40.9 386 391 A E H > S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.947 107.0 47.3 -59.9 -47.0 -5.6 -6.0 42.7 387 392 A Q H > S+ 0 0 89 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.936 111.2 52.8 -58.4 -43.5 -8.2 -6.3 39.9 388 393 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.876 111.0 46.6 -59.6 -39.2 -5.4 -6.2 37.4 389 394 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.867 109.1 51.5 -73.3 -39.3 -3.6 -9.0 39.2 390 395 A R H < S+ 0 0 102 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.801 109.9 55.4 -65.9 -25.4 -6.6 -11.3 39.6 391 396 A L H < S+ 0 0 54 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.946 113.6 36.9 -70.5 -49.8 -7.0 -10.7 35.8 392 397 A L H >X S+ 0 0 0 -4,-1.8 3,-2.0 1,-0.2 4,-1.0 0.807 96.8 84.0 -75.3 -29.0 -3.6 -11.9 34.9 393 398 A A G >< S+ 0 0 16 -4,-2.5 3,-0.7 1,-0.3 -1,-0.2 0.828 93.3 41.8 -43.9 -53.0 -3.3 -14.7 37.5 394 399 A P G 34 S+ 0 0 107 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.576 112.2 61.1 -73.8 -7.2 -5.1 -17.5 35.5 395 400 A R G <4 S+ 0 0 113 -3,-2.0 -2,-0.2 -4,-0.2 2,-0.1 0.661 80.2 98.8 -93.3 -20.4 -3.3 -16.3 32.4 396 401 A V << - 0 0 22 -4,-1.0 -89,-0.1 -3,-0.7 6,-0.0 -0.413 48.7-174.1 -75.0 146.9 0.3 -16.9 33.4 397 402 A Q > - 0 0 125 -64,-0.1 3,-2.4 -2,-0.1 -64,-0.2 -0.916 42.4 -65.0-134.0 158.9 2.3 -20.0 32.3 398 403 A P T 3 S+ 0 0 92 0, 0.0 -91,-0.2 0, 0.0 -92,-0.2 -0.155 122.4 29.1 -47.1 127.8 5.7 -21.4 33.2 399 404 A G T 3 S+ 0 0 22 -93,-3.2 -67,-2.1 1,-0.4 -68,-0.4 0.174 93.2 118.9 105.5 -17.1 8.4 -19.1 32.0 400 405 A D < - 0 0 16 -3,-2.4 -92,-1.5 -69,-0.2 -1,-0.4 -0.286 51.5-144.5 -78.3 167.4 6.4 -15.9 32.3 401 406 A M E -oq 308 334C 1 -68,-2.2 -66,-3.1 -94,-0.2 2,-0.6 -0.996 2.5-152.9-132.7 136.7 7.3 -13.0 34.4 402 407 A V E -oq 309 335C 0 -94,-3.1 -92,-3.4 -2,-0.4 2,-0.5 -0.962 23.5-171.3-107.2 118.8 4.8 -10.7 36.3 403 408 A L E -oq 310 336C 0 -68,-2.5 -66,-2.8 -2,-0.6 2,-0.9 -0.942 21.4-161.3-121.9 122.4 6.5 -7.3 36.7 404 409 A L E +oq 311 337C 0 -94,-2.8 -92,-2.2 -2,-0.5 -89,-0.2 -0.856 40.2 135.9 -95.9 103.7 5.2 -4.4 38.8 405 410 A S - 0 0 0 -68,-1.2 -92,-0.1 -2,-0.9 -1,-0.1 -0.542 29.6-178.1-148.7 65.1 7.2 -1.4 37.3 406 411 A P - 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