==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JAN-05 2BH7 . COMPND 2 MOLECULE: N-ACETYLMURAMOYL-L-ALANINE AMIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.PETRELLA,R.HERMAN,E.SAUVAGE,C.GENEREUX,A.PENNARTZ,B.JORIS, . 254 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13976.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 8.3 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 . 4 1.6 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 0.4 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 . 22 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 1 0 1 1 0 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 7 A G 0 0 66 0, 0.0 11,-1.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-140.4 44.6 19.8 61.1 2 8 A I E -A 11 0A 58 9,-0.2 2,-0.4 10,-0.1 9,-0.2 -0.955 360.0-153.5-124.2 113.3 42.2 16.9 61.8 3 9 A V E -A 10 0A 59 7,-3.0 7,-2.9 -2,-0.5 2,-0.4 -0.706 13.5-136.7 -87.6 129.7 41.2 16.3 65.5 4 10 A E E +A 9 0A 135 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.706 30.7 170.0 -89.1 132.6 40.1 12.7 66.3 5 11 A K E > -A 8 0A 96 3,-2.0 2,-1.0 -2,-0.4 3,-0.6 -0.697 44.9 -72.9-129.5-176.8 37.0 12.3 68.5 6 12 A E T 3 S- 0 0 185 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 -0.704 117.7 -8.7 -83.2 103.9 34.6 9.7 69.8 7 13 A G T 3 S+ 0 0 85 -2,-1.0 2,-0.3 1,-0.1 -1,-0.2 0.573 136.7 27.8 87.7 9.9 32.5 8.7 66.8 8 14 A Y E < -A 5 0A 130 -3,-0.6 -3,-2.0 2,-0.0 2,-0.3 -0.952 69.5-126.2 178.0 168.2 33.7 11.5 64.5 9 15 A Q E -A 4 0A 108 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.970 19.8-128.2-133.5 150.8 36.7 13.7 63.7 10 16 A L E -A 3 0A 79 -7,-2.9 -7,-3.0 -2,-0.3 2,-0.8 -0.880 8.0-155.4-106.1 126.2 36.9 17.5 63.4 11 17 A D E +A 2 0A 85 -2,-0.5 3,-0.3 -9,-0.2 -9,-0.2 -0.852 19.7 169.2 -97.7 105.7 38.5 19.3 60.4 12 18 A T + 0 0 69 -11,-1.8 -10,-0.1 -2,-0.8 -1,-0.1 0.191 46.7 104.6-103.0 16.4 39.6 22.7 61.7 13 19 A R S S+ 0 0 173 -12,-0.5 2,-0.7 1,-0.1 -1,-0.2 0.853 72.2 64.7 -64.8 -34.6 41.7 23.5 58.6 14 20 A R S S- 0 0 225 -3,-0.3 2,-0.5 0, 0.0 -1,-0.1 -0.816 72.3-168.2 -96.7 113.7 39.0 26.0 57.4 15 21 A Q - 0 0 180 -2,-0.7 4,-0.1 2,-0.0 2,-0.1 -0.871 16.3-129.7-106.1 132.8 38.5 28.9 59.8 16 22 A A - 0 0 80 -2,-0.5 3,-0.1 1,-0.1 -1,-0.0 -0.346 7.0-137.9 -74.4 156.2 35.6 31.3 59.5 17 23 A Q S S+ 0 0 191 1,-0.2 2,-1.7 -2,-0.1 -1,-0.1 0.830 92.7 73.1 -81.7 -36.4 36.1 35.1 59.4 18 24 A A + 0 0 80 2,-0.0 2,-0.4 -3,-0.0 -1,-0.2 -0.611 65.4 127.6 -81.2 83.5 33.2 35.8 61.8 19 25 A A + 0 0 75 -2,-1.7 -4,-0.0 -3,-0.1 0, 0.0 -0.909 27.3 157.1-142.7 109.7 34.9 34.6 65.0 20 26 A Y - 0 0 184 -2,-0.4 2,-0.1 1,-0.0 -2,-0.0 -0.846 43.4 -84.8-131.5 166.7 34.9 36.9 68.0 21 27 A P - 0 0 56 0, 0.0 114,-0.1 0, 0.0 -1,-0.0 -0.361 20.2-141.7 -72.1 152.1 35.2 36.7 71.8 22 28 A R S S+ 0 0 208 -2,-0.1 2,-0.5 2,-0.0 113,-0.0 0.685 86.2 83.3 -81.7 -18.9 32.2 36.1 73.9 23 29 A I + 0 0 17 1,-0.1 71,-0.2 71,-0.0 70,-0.1 -0.760 42.6 145.2 -89.8 122.4 33.7 38.6 76.4 24 30 A K + 0 0 99 69,-3.1 114,-0.5 -2,-0.5 2,-0.3 0.523 52.6 60.9-130.1 -15.8 33.0 42.2 75.6 25 31 A V E -b 94 0B 6 68,-2.1 70,-1.9 65,-0.2 2,-0.5 -0.916 52.9-158.2-125.2 147.6 32.6 44.1 79.0 26 32 A L E -bc 95 142B 0 115,-2.1 117,-2.2 -2,-0.3 2,-0.5 -0.975 16.2-161.7-122.3 116.4 34.7 44.7 82.0 27 33 A V E -bc 96 143B 0 68,-3.0 70,-2.9 -2,-0.5 2,-0.4 -0.862 3.1-155.8-105.6 131.3 32.8 45.6 85.3 28 34 A I E +bc 97 144B 4 115,-2.3 117,-1.6 -2,-0.5 2,-0.2 -0.871 20.9 167.1-104.3 133.6 34.5 47.3 88.3 29 35 A H E -b 98 0B 1 68,-2.2 70,-1.3 -2,-0.4 2,-0.4 -0.764 29.2-131.7-132.6 175.0 33.0 46.8 91.8 30 36 A Y E -b 99 0B 24 -2,-0.2 70,-0.2 68,-0.2 125,-0.1 -0.969 12.6-141.8-129.9 144.8 34.0 47.5 95.4 31 37 A T - 0 0 25 68,-2.1 69,-0.1 -2,-0.4 71,-0.1 0.740 17.6-146.3 -78.0 -26.3 33.6 44.8 98.1 32 38 A A S S+ 0 0 33 69,-2.6 2,-0.3 67,-0.4 70,-0.3 0.871 73.4 75.1 57.4 36.4 32.5 47.1 100.8 33 39 A D S S- 0 0 67 68,-0.4 68,-0.4 70,-0.0 -1,-0.2 -0.964 91.3 -81.3-162.7 170.7 34.3 44.7 103.1 34 40 A D > - 0 0 76 -2,-0.3 4,-2.8 -3,-0.1 5,-0.2 -0.329 50.8-100.1 -77.0 164.7 37.8 43.7 104.2 35 41 A F H > S+ 0 0 32 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.922 118.6 46.0 -52.2 -57.0 39.9 41.3 102.1 36 42 A D H > S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.895 116.6 45.0 -56.2 -44.0 39.3 38.1 104.1 37 43 A S H > S+ 0 0 45 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 114.9 48.4 -67.7 -41.0 35.6 38.7 104.3 38 44 A S H X S+ 0 0 4 -4,-2.8 4,-3.2 2,-0.2 -2,-0.2 0.902 111.4 50.9 -63.3 -43.9 35.3 39.7 100.7 39 45 A L H < S+ 0 0 46 -4,-3.1 4,-0.4 -5,-0.2 -2,-0.2 0.904 110.1 48.7 -60.9 -43.9 37.3 36.6 99.7 40 46 A A H < S+ 0 0 60 -4,-2.2 3,-0.4 -5,-0.2 -1,-0.2 0.878 116.2 44.3 -64.8 -37.8 35.0 34.3 101.7 41 47 A T H >< S+ 0 0 69 -4,-2.0 3,-1.9 1,-0.2 6,-0.6 0.943 110.8 50.9 -71.6 -50.7 32.0 35.9 100.1 42 48 A L T 3< S+ 0 0 8 -4,-3.2 7,-0.5 1,-0.3 -1,-0.2 0.473 112.6 50.4 -67.9 -2.7 33.2 36.0 96.5 43 49 A T T 3 S+ 0 0 82 -4,-0.4 -1,-0.3 -3,-0.4 2,-0.2 0.228 93.7 92.6-118.9 11.6 34.1 32.3 96.9 44 50 A D S X S- 0 0 75 -3,-1.9 2,-2.5 3,-0.4 3,-0.9 -0.661 92.9 -89.1-104.4 165.1 30.8 31.1 98.3 45 51 A K T 3 S+ 0 0 165 -2,-0.2 3,-0.1 1,-0.2 -3,-0.1 -0.384 114.8 47.7 -72.0 68.6 27.7 29.7 96.5 46 52 A Q T 3 S+ 0 0 158 -2,-2.5 2,-0.3 1,-0.5 -1,-0.2 0.215 113.6 11.9-167.4 -43.2 25.9 33.0 95.9 47 53 A V < + 0 0 46 -3,-0.9 -1,-0.5 -6,-0.6 -3,-0.4 -0.941 59.6 153.7-146.0 162.9 28.2 35.6 94.5 48 54 A S - 0 0 21 29,-2.2 2,-0.3 -2,-0.3 -5,-0.1 -0.955 19.7-149.9-173.7 177.1 31.8 35.7 93.0 49 55 A S - 0 0 0 -7,-0.5 20,-0.3 -2,-0.3 48,-0.2 -0.940 28.7-116.6-154.8 168.9 34.0 37.7 90.6 50 56 A H S S+ 0 0 0 46,-1.9 19,-1.1 -2,-0.3 20,-0.9 0.813 97.4 22.6 -82.5 -30.4 37.0 37.0 88.3 51 57 A Y E -De 68 97B 16 45,-1.8 47,-3.0 17,-0.2 2,-0.4 -0.974 55.9-163.7-139.3 150.7 39.4 39.1 90.3 52 58 A L E -De 67 98B 0 15,-2.0 15,-1.9 -2,-0.3 47,-0.2 -0.942 11.9-167.1-134.6 107.3 39.8 40.6 93.8 53 59 A V E - e 0 99B 0 45,-3.0 47,-3.2 -2,-0.4 13,-0.1 -0.865 18.8-133.6 -98.8 125.3 42.2 43.4 94.2 54 60 A P - 0 0 6 0, 0.0 -20,-0.0 0, 0.0 47,-0.0 -0.339 23.6-108.8 -73.9 159.4 43.1 44.3 97.8 55 61 A A S S+ 0 0 28 1,-0.3 65,-0.9 44,-0.1 66,-0.2 0.903 116.8 15.4 -53.2 -46.1 43.2 47.8 99.2 56 62 A V S S- 0 0 90 63,-0.2 -1,-0.3 64,-0.1 3,-0.1 -0.854 94.8-138.9-131.6 93.0 47.0 47.6 99.3 57 63 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 9,-0.1 -0.234 21.1-109.9 -56.5 134.5 48.2 44.6 97.3 58 64 A P - 0 0 50 0, 0.0 7,-1.8 0, 0.0 2,-0.3 -0.523 37.1-132.0 -67.1 124.1 51.0 42.5 98.7 59 65 A R E +F 64 0C 165 -2,-0.3 2,-0.4 5,-0.2 -3,-0.0 -0.587 27.8 177.3 -83.8 140.7 54.1 43.0 96.6 60 66 A Y E > S-F 63 0C 110 3,-3.0 3,-1.5 -2,-0.3 0, 0.0 -0.956 74.0 -9.8-143.9 120.5 56.2 40.1 95.3 61 67 A N T 3 S- 0 0 165 -2,-0.4 -1,-0.0 1,-0.3 -2,-0.0 0.855 131.1 -54.7 58.3 36.3 59.2 40.6 93.0 62 68 A G T 3 S+ 0 0 53 1,-0.2 -1,-0.3 0, 0.0 -3,-0.1 0.555 120.9 106.5 75.9 8.7 58.2 44.3 92.7 63 69 A K E < S-F 60 0C 143 -3,-1.5 -3,-3.0 -5,-0.0 -1,-0.2 -0.961 70.7-120.4-124.7 137.5 54.7 43.3 91.5 64 70 A P E -F 59 0C 48 0, 0.0 2,-0.6 0, 0.0 -5,-0.2 -0.428 27.7-124.0 -71.4 146.2 51.4 43.5 93.4 65 71 A R - 0 0 115 -7,-1.8 2,-0.4 -2,-0.1 58,-0.1 -0.835 27.3-175.1 -97.7 123.5 49.4 40.3 94.0 66 72 A I - 0 0 44 -2,-0.6 2,-0.3 -13,-0.1 -13,-0.2 -0.938 22.3-127.4-113.5 135.4 45.8 40.2 92.7 67 73 A W E -D 52 0B 74 -15,-1.9 -15,-2.0 -2,-0.4 2,-0.5 -0.612 13.7-156.9 -85.6 142.3 43.6 37.1 93.3 68 74 A Q E +D 51 0B 107 -2,-0.3 -17,-0.2 -17,-0.2 -18,-0.1 -0.979 17.4 170.2-119.5 118.3 41.8 35.3 90.5 69 75 A L + 0 0 48 -19,-1.1 -19,-0.2 -2,-0.5 -18,-0.1 0.648 65.6 35.6 -99.9 -22.5 38.8 33.4 91.6 70 76 A V S S- 0 0 19 -20,-0.9 -1,-0.2 4,-0.1 6,-0.1 -0.999 83.3-112.9-138.1 136.9 37.2 32.5 88.3 71 77 A P > - 0 0 63 0, 0.0 3,-1.9 0, 0.0 -2,-0.0 -0.420 29.9-123.6 -63.4 141.9 38.8 31.5 84.9 72 78 A E T 3 S+ 0 0 17 1,-0.3 4,-0.1 -22,-0.1 -22,-0.0 0.710 110.7 63.5 -60.8 -21.1 38.0 34.2 82.3 73 79 A Q T 3 S+ 0 0 189 2,-0.1 -1,-0.3 -51,-0.0 2,-0.2 0.691 99.5 63.8 -76.2 -20.2 36.5 31.6 80.1 74 80 A E S < S- 0 0 123 -3,-1.9 2,-0.3 -24,-0.0 -4,-0.1 -0.678 87.2-119.0-102.2 159.3 33.8 31.0 82.8 75 81 A L - 0 0 81 -2,-0.2 2,-0.3 20,-0.1 17,-0.1 -0.709 23.8-153.2 -95.6 151.4 31.2 33.5 83.9 76 82 A A - 0 0 2 15,-0.4 2,-1.2 18,-0.3 3,-0.4 -0.829 24.9-110.8-118.2 158.7 31.1 34.7 87.5 77 83 A W S S+ 0 0 148 -2,-0.3 -29,-2.2 1,-0.2 -31,-0.1 -0.692 77.4 110.4 -91.8 85.9 28.1 35.9 89.5 78 84 A H + 0 0 10 -2,-1.2 -1,-0.2 -31,-0.2 -29,-0.1 0.574 69.5 49.3-128.3 -23.4 29.0 39.6 89.9 79 85 A A S S- 0 0 0 -3,-0.4 -2,-0.1 1,-0.1 11,-0.1 0.812 74.0-179.4 -91.9 -35.2 26.6 41.7 87.8 80 86 A G + 0 0 39 2,-0.1 2,-0.4 9,-0.0 10,-0.4 -0.308 63.6 4.0 64.8-153.3 23.2 40.2 88.8 81 87 A I S S+ 0 0 146 8,-0.1 2,-0.3 9,-0.1 7,-0.0 -0.508 96.2 149.2 -63.6 120.8 20.1 41.7 87.0 82 88 A S - 0 0 10 -2,-0.4 7,-0.9 67,-0.1 2,-0.3 -0.950 34.6-166.3-152.2 169.8 21.8 44.0 84.6 83 89 A A E +G 88 0D 13 65,-1.8 124,-0.3 -2,-0.3 2,-0.3 -0.949 10.4 170.0-161.5 138.3 21.6 45.7 81.2 84 90 A W E > -G 87 0D 6 3,-2.5 3,-2.1 -2,-0.3 122,-0.2 -0.909 68.2 -17.7-159.3 128.6 24.0 47.6 79.1 85 91 A R T 3 S- 0 0 54 120,-1.0 121,-0.1 -2,-0.3 3,-0.1 0.804 131.9 -42.5 46.8 37.1 24.0 48.9 75.5 86 92 A G T 3 S+ 0 0 89 119,-0.3 2,-0.3 1,-0.3 -1,-0.3 0.424 117.4 107.3 95.5 -2.3 21.1 46.6 74.7 87 93 A A E < -G 84 0D 39 -3,-2.1 -3,-2.5 118,-0.1 -1,-0.3 -0.803 45.2-167.5-109.6 152.1 22.3 43.5 76.4 88 94 A T E +G 83 0D 92 -2,-0.3 -5,-0.2 -5,-0.2 4,-0.1 -0.679 67.2 46.0-122.7-178.6 21.0 41.9 79.7 89 95 A R > - 0 0 180 -7,-0.9 3,-1.8 -2,-0.2 4,-0.5 0.956 64.7-175.4 46.8 61.2 22.6 39.2 81.8 90 96 A L T 3> S+ 0 0 1 -10,-0.4 4,-0.9 1,-0.3 3,-0.4 0.689 71.6 76.9 -64.4 -17.0 26.0 41.0 81.7 91 97 A N T 34 S+ 0 0 20 -11,-0.3 -15,-0.4 1,-0.2 3,-0.3 0.837 89.7 60.0 -58.6 -33.2 27.5 38.1 83.6 92 98 A D T <4 S+ 0 0 87 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.875 118.3 23.5 -62.9 -43.4 27.4 36.2 80.3 93 99 A T T 4 S+ 0 0 33 -4,-0.5 -69,-3.1 -3,-0.4 -68,-2.1 0.201 113.1 75.9-112.0 15.1 29.6 38.6 78.4 94 100 A S E < -b 25 0B 4 -4,-0.9 2,-0.4 -3,-0.3 -18,-0.3 -0.762 61.4-135.4-127.5 172.2 31.6 40.3 81.0 95 101 A I E -b 26 0B 0 -70,-1.9 -68,-3.0 -2,-0.3 2,-0.5 -0.989 24.3-144.6-122.9 131.3 34.5 40.0 83.5 96 102 A G E -b 27 0B 0 -2,-0.4 -46,-1.9 -70,-0.2 -45,-1.8 -0.880 11.8-170.2-106.5 126.1 34.1 41.2 87.0 97 103 A I E -be 28 51B 0 -70,-2.9 -68,-2.2 -2,-0.5 2,-0.4 -0.923 9.6-157.7-115.0 106.8 36.9 42.9 89.1 98 104 A E E -be 29 52B 15 -47,-3.0 -45,-3.0 -2,-0.6 2,-0.5 -0.690 4.9-158.6 -84.4 130.2 36.2 43.4 92.8 99 105 A L E -be 30 53B 0 -70,-1.3 -68,-2.1 -2,-0.4 2,-0.5 -0.939 23.4-120.1-110.7 127.8 38.2 46.1 94.5 100 106 A E + 0 0 40 -47,-3.2 2,-0.3 -2,-0.5 -66,-0.1 -0.542 60.6 134.2 -66.8 119.0 38.5 46.0 98.3 101 107 A N - 0 0 14 -2,-0.5 -69,-2.6 -68,-0.4 -68,-0.4 -0.903 61.8-124.7-169.1 139.5 37.0 49.3 99.4 102 108 A R - 0 0 116 -2,-0.3 2,-0.3 -70,-0.3 -68,-0.1 0.719 41.4-157.6 -62.4 -26.2 34.5 50.2 102.1 103 109 A G - 0 0 2 11,-0.2 11,-1.4 53,-0.1 2,-0.3 -0.630 46.6 -16.5 81.0-137.5 32.2 51.9 99.7 104 110 A W E -H 113 0E 84 -2,-0.3 2,-0.3 9,-0.2 9,-0.3 -0.781 52.2-176.8-111.0 152.7 29.9 54.4 101.3 105 111 A Q E -H 112 0E 104 7,-3.0 7,-2.4 -2,-0.3 2,-1.3 -0.978 31.5-122.4-144.7 128.0 28.8 55.1 104.9 106 112 A K E +H 111 0E 140 -2,-0.3 2,-0.7 5,-0.3 3,-0.4 -0.589 35.7 178.5 -75.2 94.0 26.3 57.7 106.0 107 113 A S E > S-H 110 0E 72 3,-1.5 3,-0.7 -2,-1.3 -2,-0.1 -0.881 74.6 -14.1-101.6 106.5 28.3 59.8 108.5 108 114 A A T 3 S- 0 0 96 -2,-0.7 2,-1.1 1,-0.3 -1,-0.2 0.912 125.3 -60.4 67.5 44.7 26.2 62.6 109.9 109 115 A G T 3 S+ 0 0 68 -3,-0.4 2,-1.0 1,-0.2 -1,-0.3 -0.088 117.5 111.8 78.1 -39.5 23.5 62.1 107.2 110 116 A V E < S-H 107 0E 74 -2,-1.1 -3,-1.5 -3,-0.7 2,-0.9 -0.575 70.9-136.8 -71.6 99.2 26.1 62.9 104.5 111 117 A K E -H 106 0E 72 -2,-1.0 2,-0.3 -5,-0.3 -5,-0.3 -0.430 29.6-163.8 -60.7 98.9 26.6 59.5 102.7 112 118 A Y E -H 105 0E 137 -7,-2.4 -7,-3.0 -2,-0.9 2,-0.2 -0.687 8.3-145.0 -93.7 142.9 30.4 59.6 102.4 113 119 A F E -H 104 0E 25 -2,-0.3 -9,-0.2 -9,-0.3 44,-0.1 -0.647 19.3-115.8-101.1 158.4 32.4 57.3 100.1 114 120 A A - 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0 0 161 -4,-0.6 -3,-0.2 -3,-0.4 -4,-0.1 0.838 43.3-170.6 49.2 40.9 39.5 44.0 72.3 137 143 A I < - 0 0 9 -5,-1.5 -1,-0.2 -6,-0.3 -112,-0.1 -0.360 20.5-121.7 -60.2 137.2 37.0 45.4 74.7 138 144 A K > - 0 0 117 -114,-0.5 3,-1.8 -3,-0.1 34,-0.1 -0.551 18.8-114.5 -82.9 150.7 35.9 48.9 73.7 139 145 A P G > S+ 0 0 49 0, 0.0 3,-1.6 0, 0.0 33,-1.1 0.856 115.3 55.3 -51.0 -43.0 36.5 51.8 76.0 140 146 A E G 3 S+ 0 0 13 1,-0.3 112,-0.0 31,-0.3 -3,-0.0 0.650 100.6 62.8 -67.8 -14.7 32.7 52.5 76.5 141 147 A N G < S+ 0 0 20 -3,-1.8 -115,-2.1 -117,-0.1 2,-0.9 0.274 76.3 92.8 -94.6 9.4 32.3 48.9 77.6 142 148 A V E < S+c 26 0B 4 -3,-1.6 30,-0.4 -117,-0.2 2,-0.2 -0.914 70.3 171.8-100.5 105.6 34.6 49.2 80.7 143 149 A V E -c 27 0B 1 -117,-2.2 -115,-2.3 -2,-0.9 2,-0.3 -0.659 41.0-112.7-122.3 172.5 31.8 50.1 83.2 144 150 A A E >> -c 28 0B 5 -2,-0.2 3,-1.0 -117,-0.2 4,-1.0 -0.710 33.9-121.8 -95.4 146.3 30.8 50.6 86.8 145 151 A H H >> S+ 0 0 8 -117,-1.6 4,-0.8 10,-0.5 3,-0.7 0.892 117.1 58.7 -58.0 -33.6 28.4 48.1 88.3 146 152 A A H 34 S+ 0 0 2 9,-2.0 -1,-0.3 1,-0.2 3,-0.2 0.799 97.3 61.0 -62.7 -31.0 26.1 51.1 88.9 147 153 A D H <4 S+ 0 0 2 -3,-1.0 60,-0.4 8,-0.3 -1,-0.2 0.801 111.5 36.9 -67.2 -31.6 26.1 51.7 85.1 148 154 A I H << S+ 0 0 2 -4,-1.0 -65,-1.8 -3,-0.7 -1,-0.2 0.431 132.0 29.3-100.1 -4.2 24.6 48.3 84.3 149 155 A A >X + 0 0 6 -4,-0.8 4,-2.2 -3,-0.2 3,-2.0 -0.353 69.5 163.7-152.3 60.0 22.3 48.3 87.4 150 156 A P T 34 S+ 0 0 4 0, 0.0 73,-0.1 0, 0.0 -3,-0.1 0.760 75.0 56.0 -51.8 -34.3 21.5 52.0 88.1 151 157 A Q T 34 S+ 0 0 62 1,-0.1 3,-0.1 -3,-0.1 -5,-0.1 0.584 120.7 25.7 -79.8 -7.4 18.6 51.1 90.3 152 158 A R T <4 S+ 0 0 119 -3,-2.0 2,-0.3 1,-0.2 -1,-0.1 0.686 110.6 49.6-127.0 -27.5 20.6 48.9 92.7 153 159 A K < - 0 0 71 -4,-2.2 -1,-0.2 -7,-0.2 -4,-0.1 -0.888 32.8-178.8-125.2 155.0 24.4 49.7 92.8 154 160 A D > + 0 0 17 -2,-0.3 3,-1.3 -3,-0.1 -8,-0.1 0.543 43.7 158.3-116.0 -23.1 26.7 52.7 93.3 155 161 A D T 3 + 0 0 6 1,-0.3 -9,-2.0 -125,-0.1 -10,-0.5 -0.183 59.1 19.5 -61.8 147.4 30.0 50.9 93.0 156 162 A P T 3 S- 0 0 1 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -1.000 104.3-159.0 -72.0 -7.4 32.8 51.6 92.3 157 163 A G X - 0 0 3 -3,-1.3 3,-1.4 1,-0.2 -2,-0.1 -0.114 32.4 -57.9 95.2 169.5 31.5 55.1 93.3 158 164 A P T 3 S+ 0 0 10 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.650 126.7 58.8 -61.6 -23.7 32.2 58.9 92.8 159 165 A L T 3 S+ 0 0 76 -3,-0.2 -43,-0.5 -45,-0.1 -2,-0.1 0.540 77.9 109.3 -88.2 -6.2 35.7 58.5 94.3 160 166 A F S < S- 0 0 8 -3,-1.4 2,-1.8 66,-0.2 3,-0.2 -0.587 76.9-122.9 -74.0 126.2 36.8 56.0 91.7 161 167 A P > + 0 0 26 0, 0.0 4,-1.6 0, 0.0 5,-0.1 -0.443 48.3 154.6 -71.3 75.2 39.4 57.5 89.3 162 168 A W H > S+ 0 0 8 -2,-1.8 4,-2.2 65,-0.2 8,-0.1 0.871 74.4 49.1 -71.7 -37.4 37.8 57.0 85.9 163 169 A Q H > S+ 0 0 98 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 108.9 53.1 -67.6 -42.7 39.5 60.0 84.2 164 170 A Q H 4 S+ 0 0 75 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.903 112.9 44.1 -56.6 -45.9 42.9 58.8 85.5 165 171 A L H ><>S+ 0 0 2 -4,-1.6 5,-2.0 1,-0.2 3,-1.5 0.853 108.4 57.6 -69.0 -37.9 42.4 55.4 84.1 166 172 A A H ><5S+ 0 0 17 -4,-2.2 3,-3.8 1,-0.3 -2,-0.2 0.959 100.3 56.2 -58.4 -50.5 41.0 56.8 80.8 167 173 A Q T 3<5S+ 0 0 133 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.561 105.8 55.9 -59.6 -3.6 44.3 58.7 80.2 168 174 A Q T < 5S- 0 0 87 -3,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.234 129.1 -98.8-109.8 7.3 45.8 55.3 80.6 169 175 A G T < 5S+ 0 0 58 -3,-3.8 2,-0.5 1,-0.2 -3,-0.2 0.733 88.4 119.8 81.7 23.7 43.7 53.8 77.8 170 176 A I < - 0 0 3 -5,-2.0 -2,-0.2 -8,-0.1 -1,-0.2 -0.955 66.7 -5.6-125.5 112.7 41.1 52.2 80.1 171 177 A G S S- 0 0 7 -2,-0.5 -31,-0.3 -5,-0.1 2,-0.3 0.022 85.4 -69.1 92.6 159.0 37.5 53.3 79.8 172 178 A A + 0 0 3 -33,-1.1 -6,-0.1 -30,-0.4 76,-0.1 -0.622 48.2 170.3 -88.7 145.7 35.6 55.9 77.8 173 179 A W - 0 0 49 -2,-0.3 -33,-0.0 -7,-0.1 55,-0.0 -0.938 28.8-118.0-157.2 130.7 36.0 59.6 78.5 174 180 A P - 0 0 12 0, 0.0 2,-0.5 0, 0.0 3,-0.1 0.217 31.7-103.1 -56.2-177.6 34.8 62.7 76.6 175 181 A D > - 0 0 61 1,-0.2 4,-2.6 69,-0.1 3,-0.3 -0.974 19.5-134.1-117.2 128.8 37.0 65.4 75.0 176 182 A A H > S+ 0 0 66 -2,-0.5 4,-2.1 1,-0.2 3,-0.4 0.907 106.1 46.9 -41.3 -63.0 37.3 68.7 76.8 177 183 A Q H > S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.853 114.6 48.7 -50.3 -42.8 36.8 70.8 73.6 178 184 A R H > S+ 0 0 73 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.841 108.3 52.6 -68.8 -37.0 33.8 68.7 72.6 179 185 A V H X S+ 0 0 20 -4,-2.6 4,-0.7 -3,-0.4 -2,-0.2 0.865 112.5 45.3 -67.8 -37.6 32.2 68.9 76.1 180 186 A N H >X>S+ 0 0 103 -4,-2.1 3,-1.3 -5,-0.3 4,-0.8 0.958 109.6 55.5 -68.7 -51.8 32.4 72.7 76.0 181 187 A F H ><5S+ 0 0 118 -4,-2.4 3,-1.4 1,-0.3 -2,-0.2 0.907 109.8 45.9 -44.8 -54.0 31.2 72.9 72.5 182 188 A Y H 3<5S+ 0 0 59 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.678 94.6 75.3 -66.9 -19.5 28.0 71.0 73.4 183 189 A L H <<5S- 0 0 27 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.820 89.2-152.5 -61.1 -27.5 27.5 73.1 76.5 184 190 A A T <<5 - 0 0 74 -3,-1.4 -3,-0.1 -4,-0.8 -2,-0.1 0.832 63.2 -51.8 56.7 40.0 26.3 75.7 73.9 185 191 A G S - 0 0 58 -2,-0.3 3,-3.3 1,-0.1 52,-0.4 -0.494 40.8-118.3 -67.6 134.5 26.5 77.3 83.1 188 194 A P T 3 S+ 0 0 58 0, 0.0 52,-2.3 0, 0.0 53,-0.5 0.793 115.4 46.4 -44.6 -32.4 27.6 73.8 83.9 189 195 A H T 3 S+ 0 0 106 50,-0.2 -2,-0.1 49,-0.1 3,-0.1 0.218 78.4 136.3 -99.4 18.3 24.6 73.5 86.3 190 196 A T < - 0 0 46 -3,-3.3 49,-2.5 1,-0.1 -4,-0.0 -0.492 63.7-109.2 -67.8 120.4 22.0 75.0 84.0 191 197 A P B -I 238 0F 111 0, 0.0 47,-0.3 0, 0.0 2,-0.3 -0.168 41.6-168.8 -50.3 140.0 18.8 72.9 84.3 192 198 A V - 0 0 26 45,-1.9 2,-0.3 -3,-0.1 45,-0.2 -0.863 36.3 -74.4-131.0 164.4 18.1 70.8 81.2 193 199 A D > - 0 0 92 -2,-0.3 4,-1.6 1,-0.2 5,-0.2 -0.438 39.4-150.6 -59.9 116.0 15.2 68.7 79.9 194 200 A T H > S+ 0 0 56 -2,-0.3 4,-2.7 1,-0.2 3,-0.4 0.935 94.8 49.0 -54.0 -51.5 15.2 65.6 82.0 195 201 A A H > S+ 0 0 61 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.847 106.8 55.4 -58.9 -39.1 13.8 63.4 79.2 196 202 A S H > S+ 0 0 45 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.853 110.9 45.6 -65.8 -32.7 16.2 64.7 76.7 197 203 A L H X S+ 0 0 0 -4,-1.6 4,-2.6 -3,-0.4 3,-0.4 0.951 108.8 54.5 -73.4 -49.2 19.1 63.6 78.9 198 204 A L H X S+ 0 0 14 -4,-2.7 4,-2.6 1,-0.3 -2,-0.2 0.826 105.2 56.0 -52.1 -34.2 17.6 60.2 79.6 199 205 A E H X S+ 0 0 117 -4,-1.8 4,-2.0 2,-0.2 -1,-0.3 0.926 108.6 45.7 -64.8 -45.9 17.4 59.7 75.9 200 206 A L H X S+ 0 0 31 -4,-1.3 4,-1.5 -3,-0.4 -2,-0.2 0.894 113.4 50.3 -64.6 -39.0 21.1 60.3 75.5 201 207 A L H X>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 4,-1.4 0.901 109.2 50.2 -67.3 -40.8 21.8 58.1 78.5 202 208 A A H <5S+ 0 0 23 -4,-2.6 3,-0.2 1,-0.2 -1,-0.2 0.895 111.0 50.7 -64.2 -38.1 19.7 55.2 77.1 203 209 A R H <5S+ 0 0 117 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.794 108.1 52.4 -69.9 -27.6 21.5 55.6 73.8 204 210 A Y H <5S- 0 0 4 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.740 133.3 -85.8 -79.8 -23.0 24.9 55.4 75.6 205 211 A G T <5S+ 0 0 4 -4,-1.4 -120,-1.0 1,-0.3 -119,-0.3 0.291 80.7 135.4 139.8 -13.1 23.9 52.2 77.3 206 212 A Y < - 0 0 5 -5,-2.4 2,-1.3 -122,-0.2 -1,-0.3 -0.388 61.9-113.0 -68.6 142.1 22.0 53.0 80.5 207 213 A D + 0 0 62 -60,-0.4 2,-0.6 -124,-0.3 -1,-0.1 -0.625 43.4 175.2 -79.4 94.4 18.8 51.0 81.1 208 214 A V - 0 0 40 -2,-1.3 9,-0.0 -10,-0.1 -3,-0.0 -0.914 16.3-152.6-105.8 117.7 16.1 53.6 80.8 209 215 A K > - 0 0 102 -2,-0.6 2,-2.0 1,-0.1 3,-0.9 -0.696 22.7-119.8 -89.6 143.1 12.5 52.2 81.0 210 216 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.142 106.4 38.9 -75.1 46.7 9.6 54.0 79.3 211 217 A D T 3 S+ 0 0 126 -2,-2.0 2,-0.2 2,-0.1 -3,-0.0 0.177 78.1 156.9 176.6 39.9 7.8 54.7 82.5 212 218 A X < - 0 0 20 -3,-0.9 -4,-0.0 1,-0.1 0, 0.0 -0.503 38.7-121.0 -87.3 150.4 10.1 55.5 85.3 213 219 A T > - 0 0 61 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.329 34.6-104.5 -77.4 163.1 9.4 57.4 88.5 214 220 A P H > S+ 0 0 85 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.862 124.5 55.0 -56.7 -33.7 11.3 60.6 89.3 215 221 A R H > S+ 0 0 125 2,-0.2 4,-1.7 1,-0.2 -3,-0.0 0.928 109.6 44.1 -64.7 -47.8 13.3 58.6 91.8 216 222 A E H > S+ 0 0 60 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.885 111.8 53.5 -66.4 -38.7 14.3 56.0 89.2 217 223 A Q H X S+ 0 0 48 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.863 107.6 51.1 -64.4 -36.0 15.1 58.7 86.7 218 224 A R H X S+ 0 0 94 -4,-1.8 4,-3.6 -5,-0.2 -1,-0.2 0.874 105.8 57.2 -67.5 -36.3 17.4 60.3 89.2 219 225 A R H X S+ 0 0 30 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.917 108.0 45.6 -58.8 -47.8 19.1 57.0 89.8 220 226 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.949 117.9 42.7 -62.0 -50.0 20.0 56.6 86.1 221 227 A I H X S+ 0 0 3 -4,-2.1 4,-2.5 14,-0.2 14,-0.2 0.915 115.1 51.7 -63.3 -42.3 21.3 60.2 85.9 222 228 A X H X S+ 0 0 42 -4,-3.6 4,-2.6 2,-0.2 5,-0.2 0.947 108.3 48.6 -60.3 -51.9 23.0 59.9 89.2 223 229 A A H X S+ 0 0 0 -4,-3.0 4,-1.1 1,-0.2 -1,-0.2 0.896 111.8 51.8 -55.9 -40.2 24.9 56.7 88.3 224 230 A F H X S+ 0 0 1 -4,-2.0 4,-2.7 -5,-0.2 3,-0.4 0.920 111.4 46.8 -62.6 -43.1 25.9 58.4 85.1 225 231 A Q H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 7,-0.3 0.825 104.3 59.0 -69.2 -33.9 27.2 61.4 87.1 226 232 A X H < S+ 0 0 6 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.808 115.8 39.1 -65.1 -24.8 29.1 59.3 89.7 227 233 A H H < S+ 0 0 6 -4,-1.1 -65,-0.2 -3,-0.4 -2,-0.2 0.947 136.1 11.4 -86.3 -59.7 31.0 58.0 86.6 228 234 A F H < S+ 0 0 8 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.474 136.0 35.0-103.2 -5.0 31.5 61.0 84.4 229 235 A R >< + 0 0 2 -4,-1.9 3,-2.0 -5,-0.3 -1,-0.2 -0.330 63.1 157.6-145.5 55.2 30.6 64.0 86.5 230 236 A P T 3 + 0 0 52 0, 0.0 3,-0.3 0, 0.0 -4,-0.1 0.670 62.8 77.7 -56.6 -21.1 31.7 63.0 90.1 231 237 A T T 3 S+ 0 0 117 1,-0.3 2,-0.3 -6,-0.1 -5,-0.1 0.714 115.8 8.3 -63.1 -21.2 31.8 66.6 91.2 232 238 A L < + 0 0 55 -3,-2.0 -1,-0.3 -7,-0.3 3,-0.1 -0.809 61.5 166.5-164.0 118.2 28.0 66.5 91.5 233 239 A Y + 0 0 72 -2,-0.3 -7,-0.1 -3,-0.3 -11,-0.1 -0.429 27.8 134.7-133.8 58.7 25.8 63.4 91.2 234 240 A N S S- 0 0 60 2,-0.2 -12,-0.2 -13,-0.1 3,-0.1 0.487 74.2-114.1 -84.5 -5.9 22.4 64.5 92.5 235 241 A G S S+ 0 0 1 1,-0.3 2,-0.4 -14,-0.2 -14,-0.2 0.697 73.5 135.0 79.6 16.9 20.6 62.9 89.6 236 242 A E - 0 0 91 -15,-0.1 2,-0.4 -14,-0.1 -1,-0.3 -0.861 57.3-122.7-102.4 134.1 19.5 66.3 88.3 237 243 A A + 0 0 8 -2,-0.4 -45,-1.9 -45,-0.2 2,-0.3 -0.612 44.4 154.8 -78.7 127.4 19.8 67.0 84.6 238 244 A D B > -I 191 0F 7 -2,-0.4 4,-2.3 -47,-0.3 5,-0.3 -0.907 55.6 -86.8-145.6 171.1 21.9 70.1 83.8 239 245 A A H > S+ 0 0 0 -49,-2.5 4,-3.3 -52,-0.4 5,-0.2 0.920 121.8 46.7 -46.5 -59.6 24.0 71.6 81.0 240 246 A E H > S+ 0 0 47 -52,-2.3 4,-2.0 -53,-0.3 -1,-0.2 0.862 111.3 50.7 -53.6 -44.2 27.3 69.9 81.9 241 247 A T H > S+ 0 0 0 -53,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.948 117.1 41.0 -60.1 -48.4 25.7 66.4 82.4 242 248 A Q H X S+ 0 0 22 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.872 112.1 55.2 -67.8 -38.3 24.0 66.7 79.0 243 249 A A H X S+ 0 0 0 -4,-3.3 4,-1.5 -5,-0.3 -1,-0.2 0.837 109.3 48.6 -63.7 -33.4 27.1 68.2 77.4 244 250 A I H X S+ 0 0 11 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.892 109.4 51.3 -73.0 -42.5 29.2 65.2 78.6 245 251 A A H X S+ 0 0 2 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.922 109.6 50.7 -60.5 -45.9 26.6 62.7 77.2 246 252 A E H X S+ 0 0 47 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.899 111.4 47.3 -60.6 -41.7 26.6 64.4 73.8 247 253 A A H X S+ 0 0 2 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.865 113.5 48.8 -69.0 -35.3 30.4 64.3 73.7 248 254 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.5 0.915 112.9 46.0 -68.9 -46.4 30.5 60.6 74.8 249 255 A L H X S+ 0 0 31 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.855 112.8 52.4 -65.0 -34.0 27.9 59.6 72.2 250 256 A E H < S+ 0 0 90 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.877 117.9 36.1 -70.3 -34.9 29.7 61.6 69.6 251 257 A K H < S+ 0 0 90 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.662 134.5 21.4 -92.7 -16.5 33.0 59.8 70.4 252 258 A Y H < S- 0 0 40 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.500 85.1-162.7-126.8 -13.3 31.8 56.3 71.1 253 259 A G < 0 0 28 -4,-1.7 -1,-0.2 -5,-0.5 -2,-0.1 -0.354 360.0 360.0 64.8-135.4 28.4 56.1 69.4 254 260 A Q 0 0 148 -2,-0.1 -1,-0.2 -49,-0.0 -5,-0.0 0.346 360.0 360.0-160.9 360.0 26.1 53.3 70.6