==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-MAR-06 2GAE . COMPND 2 MOLECULE: MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.J.POWELL,Z.J.LIU,R.A.NICHOLAS,C.DAVIES . 333 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16251.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 17.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 22 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 19.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 0 2 1 0 2 1 0 0 0 1 0 0 0 0 0 1 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 . 2 2 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 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 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 24 A K 0 0 170 0, 0.0 8,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 74.9 -20.0 44.5 11.0 2 25 A P + 0 0 83 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.218 360.0 174.1 -72.0 149.8 -16.8 42.5 10.3 3 26 A T > + 0 0 90 3,-0.1 3,-1.4 2,-0.0 6,-0.0 0.310 50.5 106.4-129.7 -4.1 -13.6 43.0 12.4 4 27 A D T 3 S+ 0 0 107 1,-0.3 277,-0.4 2,-0.1 -1,-0.0 0.680 84.0 39.2 -55.0 -28.7 -11.5 40.2 10.8 5 28 A R T 3 S- 0 0 66 275,-0.1 319,-2.0 277,-0.1 -1,-0.3 0.141 131.9 -71.3-121.3 15.1 -9.2 42.5 8.8 6 29 A G S < S+ 0 0 0 -3,-1.4 -2,-0.1 1,-0.3 -3,-0.1 0.326 79.0 152.9 112.8 -3.1 -8.5 45.4 11.2 7 30 A Q - 0 0 25 85,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.266 18.4-177.2 -62.1 141.6 -11.9 47.1 11.0 8 31 A Q - 0 0 39 317,-0.1 84,-0.2 82,-0.1 3,-0.1 -0.950 22.2-162.6-139.8 159.3 -13.0 49.2 14.0 9 32 A Y + 0 0 61 -2,-0.3 3,-0.5 1,-0.1 82,-0.1 -0.050 54.6 111.2-138.1 34.8 -16.2 51.1 14.9 10 33 A K + 0 0 151 1,-0.2 -1,-0.1 80,-0.1 81,-0.1 0.507 69.7 62.2 -90.4 -7.3 -15.2 53.6 17.7 11 34 A D S S- 0 0 39 79,-0.4 -1,-0.2 1,-0.3 80,-0.0 0.174 96.1-126.2-111.9 18.6 -15.5 56.8 15.8 12 35 A G - 0 0 43 -3,-0.5 2,-0.4 78,-0.1 -1,-0.3 -0.327 48.5 -37.3 72.1-154.6 -19.3 56.9 14.8 13 36 A K - 0 0 138 78,-0.1 2,-0.3 77,-0.0 77,-0.2 -0.925 52.3-138.7-119.7 129.5 -20.7 57.3 11.3 14 37 A F + 0 0 16 75,-2.3 -2,-0.0 -2,-0.4 77,-0.0 -0.643 21.4 175.4 -94.9 140.1 -19.2 59.6 8.5 15 38 A T S S+ 0 0 135 -2,-0.3 -1,-0.1 1,-0.1 4,-0.0 0.701 73.6 41.7-106.8 -33.4 -21.2 61.8 6.1 16 39 A Q S S- 0 0 101 1,-0.1 69,-0.2 73,-0.0 -1,-0.1 -0.787 87.6-113.5-115.3 157.5 -18.4 63.5 4.3 17 40 A P S S+ 0 0 69 0, 0.0 68,-2.0 0, 0.0 2,-0.4 0.811 104.1 28.7 -64.8 -28.8 -15.1 62.0 3.1 18 41 A F E -A 84 0A 60 66,-0.2 2,-0.4 67,-0.1 66,-0.2 -0.989 69.1-175.8-128.6 140.5 -13.1 64.1 5.6 19 42 A S E -A 83 0A 26 64,-1.6 64,-2.3 -2,-0.4 2,-0.1 -0.979 26.1-122.3-139.2 129.9 -14.2 65.4 9.0 20 43 A L E -A 82 0A 85 -2,-0.4 2,-0.3 62,-0.2 62,-0.2 -0.397 30.7-168.5 -62.6 134.0 -12.4 67.7 11.5 21 44 A V E -A 81 0A 32 60,-1.8 60,-0.5 1,-0.1 -1,-0.0 -0.876 28.0-133.9-118.7 159.7 -11.9 66.1 14.9 22 45 A N S S+ 0 0 121 1,-0.3 53,-0.2 -2,-0.3 -1,-0.1 0.888 95.1 4.1 -77.2 -41.6 -10.8 67.8 18.2 23 46 A Q S S- 0 0 80 51,-0.1 -1,-0.3 -3,-0.1 49,-0.1 -0.993 83.3-108.5-139.3 136.2 -8.4 64.9 18.9 24 47 A P - 0 0 9 0, 0.0 2,-2.2 0, 0.0 304,-0.0 -0.398 35.8-119.4 -52.3 135.4 -7.5 61.9 16.8 25 48 A D S S+ 0 0 69 2,-0.1 2,-0.3 -14,-0.0 -15,-0.1 -0.532 81.1 108.6 -76.6 73.8 -9.0 58.9 18.6 26 49 A A - 0 0 8 -2,-2.2 2,-0.5 2,-0.1 45,-0.1 -0.950 63.2-135.9-157.2 129.5 -5.5 57.4 19.0 27 50 A V + 0 0 142 -2,-0.3 2,-0.3 44,-0.1 260,-0.1 -0.793 62.8 5.3 -99.6 125.3 -3.5 57.0 22.2 28 51 A G S S- 0 0 22 -2,-0.5 43,-2.5 2,-0.0 44,-0.2 -0.721 87.5 -55.9 112.8-165.5 0.2 57.9 22.3 29 52 A A - 0 0 37 -2,-0.3 258,-0.2 41,-0.2 41,-0.2 -0.864 60.6 -88.0-115.3 151.1 2.8 59.4 20.0 30 53 A P - 0 0 11 0, 0.0 3,-0.5 0, 0.0 258,-0.2 -0.367 33.6-143.5 -56.2 143.5 3.8 58.3 16.5 31 54 A I S S+ 0 0 99 256,-2.7 3,-0.2 1,-0.2 257,-0.1 0.440 87.2 60.9 -90.4 -0.1 6.6 55.7 16.8 32 55 A N > + 0 0 5 255,-0.3 4,-2.6 1,-0.2 5,-0.2 -0.033 51.8 136.2-122.9 33.7 8.6 56.7 13.7 33 56 A A H > S+ 0 0 41 -3,-0.5 4,-2.8 1,-0.2 5,-0.2 0.903 77.1 51.9 -42.9 -53.7 9.6 60.3 14.4 34 57 A G H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.904 109.9 47.0 -50.6 -54.0 13.2 59.5 13.1 35 58 A D H > S+ 0 0 56 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.898 111.1 52.5 -57.7 -44.1 12.0 58.0 9.8 36 59 A F H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.972 109.1 49.1 -59.2 -52.9 9.6 60.9 9.2 37 60 A A H X S+ 0 0 34 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.922 112.8 48.7 -49.3 -46.6 12.4 63.4 9.7 38 61 A E H X S+ 0 0 105 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.919 111.6 49.5 -62.6 -43.6 14.5 61.3 7.2 39 62 A Q H X S+ 0 0 0 -4,-3.4 4,-1.8 1,-0.2 -2,-0.2 0.934 110.3 49.6 -60.5 -49.4 11.6 61.3 4.7 40 63 A I H X S+ 0 0 3 -4,-3.2 4,-3.3 1,-0.2 3,-0.2 0.925 106.8 55.7 -53.8 -44.6 11.1 65.0 5.0 41 64 A N H X S+ 0 0 73 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.883 106.7 51.4 -59.5 -37.1 14.9 65.6 4.4 42 65 A H H X S+ 0 0 52 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.840 110.3 47.6 -67.0 -37.9 14.5 63.6 1.2 43 66 A I H X S+ 0 0 0 -4,-1.8 4,-2.7 -3,-0.2 8,-0.4 0.964 109.5 54.8 -65.1 -48.6 11.6 65.7 0.1 44 67 A R H < S+ 0 0 100 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.874 120.5 30.2 -49.5 -44.9 13.7 68.8 1.0 45 68 A N H < S+ 0 0 107 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.907 126.5 38.4 -85.2 -45.5 16.6 67.7 -1.3 46 69 A S H < S+ 0 0 46 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.670 128.6 27.6 -85.2 -17.2 14.9 65.7 -4.1 47 70 A S X + 0 0 14 -4,-2.7 4,-2.8 -5,-0.3 5,-0.2 -0.430 60.3 168.6-145.2 68.1 11.8 67.9 -4.5 48 71 A P H > S+ 0 0 92 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.825 82.7 52.2 -45.9 -42.4 12.4 71.6 -3.5 49 72 A R H > S+ 0 0 182 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.951 112.4 43.3 -61.0 -52.6 9.1 72.7 -5.1 50 73 A L H > S+ 0 0 12 1,-0.2 4,-1.1 2,-0.2 3,-0.4 0.903 114.2 51.5 -60.6 -43.7 7.0 70.1 -3.2 51 74 A Y H >X S+ 0 0 35 -4,-2.8 4,-2.1 -8,-0.4 3,-0.6 0.900 105.7 55.0 -61.7 -43.2 8.9 70.8 0.1 52 75 A G H 3< S+ 0 0 48 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.792 109.2 48.0 -59.8 -31.3 8.3 74.5 -0.2 53 76 A N H 3< S+ 0 0 114 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.680 121.8 32.4 -87.9 -17.7 4.6 74.0 -0.5 54 77 A Q H XX S+ 0 0 48 -4,-1.1 4,-1.9 -3,-0.6 3,-1.7 0.562 84.7 101.5-112.4 -10.9 4.2 71.7 2.4 55 78 A S H 3X S+ 0 0 23 -4,-2.1 4,-4.2 1,-0.3 5,-0.3 0.801 75.7 64.3 -50.7 -37.2 6.9 72.8 4.8 56 79 A N H 3> S+ 0 0 114 -4,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.905 109.9 39.1 -49.4 -47.2 4.4 74.6 7.0 57 80 A V H <> S+ 0 0 14 -3,-1.7 4,-2.8 2,-0.2 5,-0.3 0.954 116.2 51.3 -65.8 -51.2 2.8 71.3 7.8 58 81 A Y H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.881 112.0 46.6 -58.2 -41.5 6.2 69.5 8.0 59 82 A N H X S+ 0 0 82 -4,-4.2 4,-3.3 2,-0.2 5,-0.3 0.985 111.4 50.5 -65.1 -54.2 7.6 72.1 10.5 60 83 A A H X S+ 0 0 14 -4,-2.0 4,-2.9 -5,-0.3 5,-0.2 0.934 113.6 46.2 -44.6 -54.8 4.4 72.0 12.7 61 84 A V H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.921 113.8 49.2 -55.7 -45.8 4.6 68.2 12.8 62 85 A Q H X S+ 0 0 68 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.934 111.7 47.8 -60.1 -45.7 8.3 68.4 13.5 63 86 A E H X S+ 0 0 81 -4,-3.3 4,-1.6 1,-0.2 -2,-0.2 0.931 113.9 47.5 -62.8 -47.4 7.9 70.9 16.3 64 87 A W H X>S+ 0 0 1 -4,-2.9 5,-2.7 -5,-0.3 4,-0.6 0.911 110.7 52.2 -58.2 -46.0 5.1 68.9 17.8 65 88 A L H ><5S+ 0 0 23 -4,-3.0 3,-1.1 -5,-0.2 -2,-0.2 0.912 108.8 49.4 -59.2 -43.0 7.1 65.7 17.6 66 89 A R H 3<5S+ 0 0 196 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.804 106.1 56.8 -69.5 -29.9 10.2 67.3 19.4 67 90 A A H 3<5S- 0 0 69 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.533 142.1 -72.0 -80.2 -7.4 7.9 68.6 22.2 68 91 A G T <<5 - 0 0 47 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.2 0.183 51.1-126.6 140.0 -16.6 6.8 65.0 22.8 69 92 A G < + 0 0 2 -5,-2.7 2,-0.2 1,-0.2 -4,-0.2 0.576 48.0 159.6 64.7 15.6 4.5 64.2 19.9 70 93 A D > - 0 0 56 -6,-0.2 3,-2.0 -41,-0.2 -41,-0.2 -0.514 46.1-130.6 -76.5 136.2 1.5 63.1 21.9 71 94 A T G > S+ 0 0 3 -43,-2.5 3,-0.7 1,-0.3 -1,-0.1 0.729 105.5 63.2 -56.2 -24.6 -1.8 63.2 19.9 72 95 A R G 3 S+ 0 0 170 1,-0.2 3,-0.3 -44,-0.2 -1,-0.3 0.750 99.6 55.9 -71.1 -20.2 -3.5 65.1 22.8 73 96 A N G < S+ 0 0 75 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.1 -0.097 73.5 104.2-104.1 31.4 -1.1 68.1 22.3 74 97 A M X > + 0 0 8 -3,-0.7 3,-2.2 1,-0.2 5,-1.3 0.885 65.7 64.8 -85.1 -40.1 -1.7 68.9 18.6 75 98 A R G > 5S+ 0 0 139 -3,-0.3 3,-1.8 1,-0.3 -1,-0.2 0.786 91.8 65.2 -54.8 -31.4 -3.8 72.0 18.7 76 99 A Q G 3 5S+ 0 0 140 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.584 102.2 51.1 -73.9 -4.4 -1.1 74.1 20.3 77 100 A F G < 5S- 0 0 41 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.113 117.1-111.1-113.4 17.5 0.9 73.6 17.1 78 101 A G T < 5 + 0 0 32 -3,-1.8 255,-2.1 1,-0.2 2,-0.6 0.702 68.6 148.4 58.5 23.5 -1.8 74.8 14.8 79 102 A I E < - B 0 332A 10 -5,-1.3 2,-0.3 253,-0.2 253,-0.2 -0.793 31.0-161.4 -94.3 117.4 -2.2 71.2 13.4 80 103 A D E - B 0 331A 37 251,-3.5 251,-1.9 -2,-0.6 2,-0.5 -0.721 5.9-148.8 -93.1 148.6 -5.7 70.1 12.3 81 104 A A E -AB 21 330A 5 -60,-0.5 -60,-1.8 -2,-0.3 2,-0.7 -0.956 7.7-167.4-121.4 114.4 -6.6 66.5 11.9 82 105 A W E -AB 20 329A 84 247,-2.7 247,-3.0 -2,-0.5 2,-0.2 -0.881 17.5-143.1 -99.9 112.4 -9.1 65.5 9.3 83 106 A Q E -AB 19 328A 4 -64,-2.3 -64,-1.6 -2,-0.7 2,-0.5 -0.560 14.7-126.4 -77.7 139.8 -10.2 61.9 9.8 84 107 A M E -A 18 0A 0 243,-2.4 243,-0.3 -2,-0.2 -66,-0.2 -0.746 1.8-145.7 -90.5 127.1 -10.8 59.8 6.7 85 108 A E >>> - 0 0 39 -68,-2.0 6,-2.3 -2,-0.5 4,-0.7 0.820 40.4-171.9 -57.1 -35.6 -14.2 58.0 6.3 86 109 A G T 345 - 0 0 10 -69,-0.3 7,-0.2 5,-0.2 -1,-0.2 -0.406 43.9 -30.0 81.3-149.9 -12.5 55.1 4.5 87 110 A A T 345S+ 0 0 63 5,-1.8 -1,-0.2 1,-0.2 6,-0.1 0.592 139.0 23.2 -84.2 -13.7 -14.0 52.2 2.7 88 111 A D T <45S- 0 0 54 -3,-0.6 -1,-0.2 4,-0.2 -2,-0.2 0.343 104.7-105.7-138.4 -2.9 -17.2 51.8 4.7 89 112 A N T <5S+ 0 0 59 -4,-0.7 -75,-2.3 3,-0.1 -3,-0.2 0.687 100.3 98.7 72.5 19.7 -17.9 55.2 6.3 90 113 A Y S -N 113 0D 82 3,-1.8 3,-2.0 1,-0.1 -4,-0.1 -0.909 54.2 -23.3-177.4 147.7 22.6 25.0 -9.0 111 134 A G T 3 S- 0 0 69 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 -0.073 126.7 -13.6 46.1-124.0 20.3 23.8 -6.2 112 135 A E T 3 S+ 0 0 147 1,-0.1 2,-1.4 -3,-0.1 -1,-0.3 0.607 114.7 98.0 -82.1 -10.9 17.0 25.7 -6.2 113 136 A F B < +N 110 0D 22 -3,-2.0 -3,-1.8 1,-0.2 35,-0.2 -0.629 38.8 123.8 -85.1 90.7 18.4 28.3 -8.7 114 137 A Q + 0 0 70 -2,-1.4 -1,-0.2 33,-1.0 34,-0.1 0.000 39.1 97.1-137.3 28.9 17.1 27.1 -12.0 115 138 A Y E -M 147 0C 54 32,-1.2 32,-2.1 34,-0.0 34,-0.2 -0.806 62.3-145.4-130.9 95.1 15.2 30.1 -13.4 116 139 A P E -M 146 0C 22 0, 0.0 2,-0.4 0, 0.0 30,-0.2 -0.024 7.0-156.4 -62.3 154.7 17.1 32.3 -15.9 117 140 A I E -M 145 0C 5 28,-1.4 27,-2.9 116,-0.0 28,-0.9 -0.995 24.6-145.1-131.2 125.5 16.8 36.1 -16.4 118 141 A Y E -M 143 0C 12 -2,-0.4 115,-2.6 113,-0.4 25,-0.2 -0.596 14.1-142.3-107.4 153.3 17.9 37.4 -19.8 119 142 A R - 0 0 106 23,-2.6 115,-0.2 113,-0.2 25,-0.0 -0.504 51.1 -79.7 -90.1 169.1 19.5 40.3 -21.5 120 143 A M - 0 0 70 113,-0.5 -1,-0.1 -2,-0.2 3,-0.1 -0.604 40.9-143.2 -75.0 121.5 18.3 41.5 -25.0 121 144 A P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.679 36.7 -91.3 -78.8 138.7 19.5 39.5 -27.9 122 145 A P - 0 0 99 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.282 66.9 -89.4 -41.0 129.7 20.2 41.5 -31.1 123 146 A K + 0 0 178 1,-0.1 3,-0.1 -3,-0.1 4,-0.0 0.008 44.7 173.3 -65.3 151.0 16.9 41.4 -32.9 124 147 A R - 0 0 151 -3,-0.1 2,-0.8 1,-0.1 -1,-0.1 0.377 53.5-119.2-116.3 -11.3 15.6 38.8 -35.4 125 148 A G S S+ 0 0 52 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.853 98.5 61.7 98.2 -85.8 12.2 40.5 -35.5 126 149 A R - 0 0 224 -2,-0.8 56,-0.1 -3,-0.1 55,-0.0 -0.632 68.0-175.6 -79.2 103.9 10.3 37.4 -34.1 127 150 A L - 0 0 7 54,-1.0 54,-0.1 -2,-0.8 -4,-0.0 -0.640 34.3 -94.9 -87.6 156.4 11.5 36.4 -30.6 128 151 A P - 0 0 26 0, 0.0 55,-0.2 0, 0.0 -1,-0.1 -0.275 40.2-100.7 -73.1 159.7 10.1 33.2 -29.1 129 152 A S > - 0 0 14 1,-0.1 4,-2.4 53,-0.1 3,-0.4 -0.326 36.8-100.2 -75.7 160.9 7.1 33.0 -26.7 130 153 A R H > S+ 0 0 5 98,-2.1 4,-2.7 1,-0.2 5,-0.2 0.892 124.0 50.8 -43.3 -53.2 7.4 32.7 -22.9 131 154 A A H > S+ 0 0 34 94,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.879 110.3 49.7 -57.3 -42.7 6.7 28.9 -23.0 132 155 A E H >>S+ 0 0 100 -3,-0.4 5,-2.1 2,-0.2 4,-0.5 0.876 110.2 50.5 -63.5 -39.3 9.3 28.5 -25.7 133 156 A I H ><5S+ 0 0 0 -4,-2.4 3,-1.3 3,-0.2 5,-0.3 0.930 107.6 53.5 -67.7 -42.9 11.9 30.4 -23.7 134 157 A Y H 3<5S+ 0 0 45 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.902 105.5 54.1 -50.3 -47.0 11.1 28.3 -20.6 135 158 A A H 3<5S- 0 0 85 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.633 130.3 -97.4 -66.9 -13.6 11.8 25.1 -22.7 136 159 A G T <<5S+ 0 0 49 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.2 0.739 73.5 145.9 100.2 31.8 15.2 26.6 -23.6 137 160 A A < + 0 0 60 -5,-2.1 2,-0.2 -8,-0.2 -4,-0.2 0.844 61.4 73.6 -61.2 -33.7 14.6 28.2 -27.0 138 161 A L S S- 0 0 8 -5,-0.3 5,-0.0 -6,-0.2 0, 0.0 -0.566 87.6-115.4 -86.1 147.5 17.1 30.9 -26.0 139 162 A S - 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0 0 32 -5,-0.3 2,-0.3 -6,-0.2 15,-0.2 -0.968 62.7-177.4-161.5 170.9 13.3 46.0 -13.3 162 185 A G E - J 0 175B 9 13,-1.9 13,-2.2 -2,-0.3 2,-0.4 -0.990 28.7-109.4-170.4 161.3 14.6 44.5 -10.1 163 186 A Y E -iJ 102 174B 19 -62,-0.7 -60,-2.9 -2,-0.3 2,-0.4 -0.864 32.2-162.3-103.0 133.4 17.3 44.2 -7.5 164 187 A I E -iJ 103 173B 0 9,-3.0 9,-2.8 -2,-0.4 2,-0.5 -0.975 8.6-161.7-123.9 132.2 19.4 41.0 -7.4 165 188 A D E -i 104 0B 42 -62,-2.5 -60,-1.7 -2,-0.4 7,-0.1 -0.953 3.5-166.8-114.9 116.0 21.6 39.7 -4.6 166 189 A F - 0 0 15 -2,-0.5 -59,-0.2 5,-0.2 -1,-0.1 0.464 41.5-119.8 -86.8 -1.9 24.1 37.1 -5.7 167 190 A G S S+ 0 0 46 1,-0.2 2,-0.1 3,-0.2 -61,-0.1 0.556 79.2 100.5 77.7 8.8 24.8 36.2 -2.1 168 191 A D S S- 0 0 93 3,-0.1 -1,-0.2 2,-0.1 -2,-0.0 -0.219 95.6 -71.6-101.2-156.4 28.5 37.1 -2.0 169 192 A G S S+ 0 0 86 -2,-0.1 -2,-0.0 -3,-0.1 0, 0.0 0.822 93.9 109.1 -63.0 -27.4 30.1 40.2 -0.6 170 193 A S S S- 0 0 52 1,-0.1 -3,-0.2 -4,-0.0 -4,-0.1 0.143 71.7 -95.9 -76.0 162.6 28.9 42.5 -3.3 171 194 A P - 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0 0 3 49,-1.2 -54,-1.0 2,-0.2 3,-0.1 0.508 49.9-115.2 -92.4 -8.6 9.8 39.5 -27.1 182 205 A G S S+ 0 0 72 1,-0.3 2,-0.4 48,-0.2 47,-0.1 0.202 79.3 118.9 92.1 -20.5 7.1 40.9 -29.4 183 206 A H S S- 0 0 60 45,-0.2 -1,-0.3 -55,-0.2 47,-0.3 -0.693 73.4-110.3 -74.9 131.6 4.3 38.6 -28.3 184 207 A A - 0 0 77 -2,-0.4 45,-0.3 45,-0.1 2,-0.1 -0.359 32.4-117.9 -67.5 139.9 1.5 40.6 -26.7 185 208 A Y - 0 0 174 43,-0.2 2,-0.3 42,-0.1 -1,-0.1 -0.457 20.9-158.5 -78.0 149.3 1.0 40.3 -23.0 186 209 A R - 0 0 157 -2,-0.1 2,-0.8 43,-0.1 43,-0.1 -0.952 32.2-100.7-123.7 148.4 -2.1 38.9 -21.3 187 210 A S > - 0 0 66 -2,-0.3 4,-1.6 1,-0.2 3,-0.3 -0.604 21.7-164.6 -81.6 105.0 -3.0 39.7 -17.7 188 211 A I H > S+ 0 0 3 -2,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.765 91.7 62.9 -52.6 -31.5 -2.1 36.9 -15.3 189 212 A G H > S+ 0 0 8 2,-0.2 4,-2.0 1,-0.2 3,-0.2 0.986 101.1 48.4 -53.2 -61.9 -4.4 38.7 -12.8 190 213 A K H > S+ 0 0 110 -3,-0.3 4,-3.5 1,-0.2 -2,-0.2 0.891 108.7 55.5 -48.6 -47.3 -7.5 38.3 -15.0 191 214 A V H < S+ 0 0 29 -4,-1.6 6,-0.2 1,-0.2 -1,-0.2 0.930 108.3 46.7 -51.4 -52.1 -6.7 34.5 -15.4 192 215 A L H ><>S+ 0 0 0 -4,-1.9 6,-1.7 -3,-0.2 5,-1.0 0.818 115.5 47.4 -63.5 -30.1 -6.6 34.0 -11.6 193 216 A I H ><5S+ 0 0 42 -4,-2.0 3,-2.0 1,-0.2 -2,-0.2 0.962 107.8 53.8 -71.7 -52.3 -9.9 36.0 -11.3 194 217 A D T 3<5S+ 0 0 110 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.162 113.2 46.0 -68.7 17.9 -11.6 34.0 -14.2 195 218 A R T < 5S- 0 0 110 -3,-0.6 -1,-0.3 3,-0.2 -2,-0.2 0.327 110.6-120.5-132.0 -10.0 -10.7 30.8 -12.3 196 219 A G T < 5S+ 0 0 61 -3,-2.0 -3,-0.2 2,-0.3 -2,-0.1 0.458 78.5 123.9 78.8 3.3 -11.8 31.9 -8.9 197 220 A E S - 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