==== 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 LYASE 22-AUG-09 3IRD . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BOTULINUM A STR. HALL; . AUTHOR R.C.J.DOBSON,S.ATKINSON,M.A.PERUGINI . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12352.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 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 . 20 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.4 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 0 2 1 0 1 1 1 1 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 2 A S 0 0 80 0, 0.0 3,-0.1 0, 0.0 158,-0.0 0.000 360.0 360.0 360.0 143.4 32.9 6.3 -22.7 2 3 A I - 0 0 25 1,-0.3 2,-0.3 128,-0.1 157,-0.0 0.908 360.0 -32.2 -57.9 -42.6 33.6 3.2 -24.7 3 4 A F - 0 0 11 2,-0.1 2,-0.3 68,-0.1 -1,-0.3 -0.943 59.8-133.3-162.7 161.3 33.5 5.5 -27.7 4 5 A K + 0 0 114 -2,-0.3 2,-0.4 -3,-0.1 197,-0.2 -0.944 67.5 10.4-118.6 154.4 31.8 8.8 -28.8 5 6 A G E S+a 201 0A 2 195,-2.3 197,-2.3 -2,-0.3 2,-0.6 -0.726 108.6 12.3 90.3-132.3 30.2 9.4 -32.2 6 7 A S E +a 202 0A 0 -2,-0.4 31,-1.7 29,-0.2 32,-1.3 -0.740 50.7 179.1 -98.1 113.6 29.5 6.8 -34.9 7 8 A G E -ab 203 38A 0 195,-2.9 197,-3.0 -2,-0.6 2,-0.4 -0.957 26.0-138.8-111.1 116.1 29.8 3.2 -34.1 8 9 A V E -ab 204 39A 0 30,-2.3 32,-3.3 -2,-0.6 2,-1.3 -0.589 5.1-143.2 -80.1 131.6 28.9 1.2 -37.2 9 10 A A E - b 0 40A 4 195,-3.0 32,-0.2 -2,-0.4 199,-0.1 -0.786 37.4-146.7 -84.7 90.4 26.8 -2.0 -36.8 10 11 A I - 0 0 1 30,-1.9 32,-0.4 -2,-1.3 33,-0.4 -0.415 2.5-126.2 -70.8 133.0 28.8 -3.7 -39.5 11 12 A I - 0 0 0 -2,-0.1 35,-0.3 194,-0.1 31,-0.1 -0.259 23.1-122.3 -55.7 160.1 27.1 -6.2 -41.8 12 13 A T - 0 0 1 33,-0.5 2,-0.5 29,-0.1 9,-0.1 -0.983 22.5-136.5-107.7 120.3 28.7 -9.6 -42.0 13 14 A P - 0 0 0 0, 0.0 7,-3.6 0, 0.0 2,-0.4 -0.666 22.9-157.7 -76.9 120.5 29.7 -10.4 -45.6 14 15 A F B -I 19 0B 8 249,-1.0 251,-0.3 -2,-0.5 5,-0.3 -0.794 11.2-154.5 -98.6 138.6 28.7 -14.0 -46.5 15 16 A T - 0 0 57 3,-1.8 5,-0.1 -2,-0.4 248,-0.0 -0.470 50.2 -89.2 -86.5 177.6 30.1 -16.2 -49.2 16 17 A N S S+ 0 0 161 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.583 126.3 28.0 -65.7 -10.1 27.8 -19.0 -50.4 17 18 A T S S- 0 0 126 1,-0.0 -1,-0.2 2,-0.0 2,-0.2 0.616 131.3 -33.1-122.3 -21.6 29.2 -21.4 -47.7 18 19 A G S S- 0 0 13 33,-0.0 -3,-1.8 37,-0.0 2,-0.4 -0.548 93.1 -18.6-164.1-131.7 30.5 -19.2 -44.8 19 20 A V B -I 14 0B 18 -5,-0.3 2,-1.4 -2,-0.2 -5,-0.3 -0.795 43.7-133.6-108.0 138.4 32.0 -15.7 -44.1 20 21 A D > + 0 0 46 -7,-3.6 4,-2.3 -2,-0.4 5,-0.1 -0.653 30.3 174.5 -88.8 86.5 33.8 -13.5 -46.6 21 22 A F H > S+ 0 0 58 -2,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.877 75.2 52.0 -65.5 -40.4 36.9 -12.6 -44.5 22 23 A D H > S+ 0 0 125 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.912 110.2 48.7 -62.3 -43.4 38.7 -10.6 -47.2 23 24 A K H > S+ 0 0 33 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.934 110.8 51.6 -61.2 -43.0 35.6 -8.5 -47.8 24 25 A L H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.943 107.8 52.0 -59.8 -46.4 35.3 -7.9 -44.1 25 26 A S H X S+ 0 0 30 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.915 109.4 50.1 -53.7 -48.3 39.0 -6.8 -43.9 26 27 A E H X S+ 0 0 113 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.940 111.4 48.7 -56.7 -45.8 38.3 -4.3 -46.8 27 28 A L H X S+ 0 0 7 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.894 109.6 52.0 -61.3 -42.2 35.2 -2.9 -44.9 28 29 A I H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.931 111.2 46.0 -60.4 -47.2 37.2 -2.5 -41.6 29 30 A E H X S+ 0 0 78 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.845 112.4 52.2 -67.0 -38.2 40.0 -0.5 -43.3 30 31 A W H X S+ 0 0 82 -4,-2.0 4,-2.9 -5,-0.2 -1,-0.2 0.915 109.0 49.6 -62.7 -47.8 37.4 1.6 -45.2 31 32 A H H <>S+ 0 0 0 -4,-2.7 5,-2.3 2,-0.2 -2,-0.2 0.895 111.7 48.1 -56.2 -43.0 35.7 2.4 -41.8 32 33 A I H ><5S+ 0 0 39 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.947 115.2 44.7 -67.5 -46.0 39.0 3.4 -40.2 33 34 A K H 3<5S+ 0 0 175 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.914 110.9 54.8 -59.2 -43.2 39.9 5.6 -43.2 34 35 A S T 3<5S- 0 0 9 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.379 119.1-111.1 -75.4 -0.9 36.4 7.1 -43.3 35 36 A K T < 5 + 0 0 108 -3,-1.3 -29,-0.2 1,-0.2 -3,-0.2 0.654 52.7 169.4 77.3 17.9 36.6 8.1 -39.7 36 37 A T < - 0 0 3 -5,-2.3 -1,-0.2 -6,-0.2 -29,-0.1 -0.397 29.7-143.4 -52.2 134.0 34.1 5.7 -38.2 37 38 A D - 0 0 36 -31,-1.7 2,-0.3 1,-0.2 -30,-0.2 0.725 68.9 -4.9 -81.0 -25.2 34.6 5.9 -34.4 38 39 A A E -b 7 0A 0 -32,-1.3 -30,-2.3 33,-0.2 2,-0.5 -0.969 61.2-124.4-165.1 153.6 34.0 2.3 -33.5 39 40 A I E -bc 8 73A 0 33,-2.2 35,-2.8 -2,-0.3 2,-0.7 -0.909 11.8-161.3-108.2 124.1 33.0 -1.1 -34.9 40 41 A I E -bc 9 74A 0 -32,-3.3 -30,-1.9 -2,-0.5 3,-0.4 -0.932 21.1-161.6 -99.2 117.1 30.0 -3.1 -33.5 41 42 A V E + c 0 75A 0 33,-3.2 35,-2.2 -2,-0.7 -30,-0.1 -0.823 61.8 5.8-106.6 140.3 30.6 -6.7 -34.8 42 43 A C S S+ 0 0 3 -32,-0.4 -1,-0.2 -2,-0.4 2,-0.1 0.842 85.9 142.0 53.9 38.6 27.9 -9.4 -34.9 43 44 A G S > >S- 0 0 9 -3,-0.4 5,-1.3 -33,-0.4 3,-0.7 -0.190 76.3 -77.8 -77.5-168.8 25.0 -7.2 -33.9 44 45 A T G > 5S+ 0 0 40 1,-0.3 3,-1.6 2,-0.2 5,-0.1 0.846 136.1 57.1 -60.7 -37.4 21.6 -7.7 -35.5 45 46 A T G 3 5S+ 0 0 6 1,-0.3 -33,-0.5 2,-0.1 -1,-0.3 0.800 102.5 56.9 -63.9 -28.2 22.8 -5.8 -38.6 46 47 A G G < 5S- 0 0 0 -3,-0.7 -1,-0.3 -35,-0.3 -2,-0.2 0.288 110.6-124.1 -86.9 10.9 25.6 -8.4 -38.8 47 48 A E T X 5 + 0 0 6 -3,-1.6 3,-1.4 1,-0.1 4,-0.3 0.824 49.3 163.1 51.3 39.3 23.0 -11.3 -38.9 48 49 A A G > < + 0 0 17 -5,-1.3 3,-1.6 1,-0.3 8,-0.1 0.844 66.2 68.1 -56.0 -32.4 24.6 -13.0 -35.8 49 50 A T G 3 S+ 0 0 121 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.802 103.1 41.5 -57.6 -34.8 21.3 -15.0 -35.5 50 51 A T G < S+ 0 0 36 -3,-1.4 2,-0.4 217,-0.1 -1,-0.3 0.270 99.0 92.1-102.7 12.3 22.0 -17.0 -38.7 51 52 A M S < S- 0 0 6 -3,-1.6 -33,-0.0 -4,-0.3 -4,-0.0 -0.830 78.3-119.0 -97.0 142.2 25.7 -17.5 -38.0 52 53 A T > - 0 0 79 -2,-0.4 4,-3.1 1,-0.1 5,-0.2 -0.297 32.2-102.7 -68.5 166.1 27.0 -20.6 -36.2 53 54 A E H > S+ 0 0 115 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.891 124.0 51.5 -54.7 -44.2 28.8 -20.2 -33.0 54 55 A T H > S+ 0 0 82 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.877 111.0 48.0 -62.1 -44.4 32.1 -20.8 -34.8 55 56 A E H > S+ 0 0 23 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.903 111.2 50.1 -61.3 -46.1 31.3 -18.2 -37.4 56 57 A R H X S+ 0 0 73 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.933 116.0 42.9 -58.6 -47.7 30.3 -15.7 -34.7 57 58 A K H X S+ 0 0 48 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.930 115.4 47.6 -64.3 -48.6 33.6 -16.3 -32.8 58 59 A E H X S+ 0 0 104 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.881 114.7 48.5 -57.6 -34.1 35.8 -16.3 -35.9 59 60 A T H X S+ 0 0 1 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.910 112.2 45.5 -76.5 -47.2 34.1 -13.1 -37.1 60 61 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.939 115.3 47.3 -62.3 -48.1 34.4 -11.2 -33.8 61 62 A K H X S+ 0 0 87 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.902 109.7 54.7 -62.0 -40.5 38.0 -12.2 -33.3 62 63 A F H X S+ 0 0 38 -4,-2.0 4,-2.7 -5,-0.3 5,-0.3 0.918 109.7 45.8 -58.6 -42.5 38.8 -11.3 -36.9 63 64 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.955 114.7 48.5 -69.0 -43.2 37.4 -7.8 -36.4 64 65 A I H X S+ 0 0 17 -4,-2.6 4,-1.8 1,-0.2 5,-0.4 0.941 116.0 42.4 -57.1 -52.2 39.3 -7.4 -33.1 65 66 A D H < S+ 0 0 82 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.841 115.6 48.6 -67.6 -38.1 42.6 -8.6 -34.6 66 67 A K H < S+ 0 0 85 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.944 111.9 47.8 -65.1 -50.2 42.4 -6.7 -37.8 67 68 A V H >< S- 0 0 0 -4,-2.6 3,-1.8 -5,-0.3 -2,-0.2 0.872 88.9-169.4 -56.7 -37.0 41.5 -3.4 -36.1 68 69 A N T 3< - 0 0 113 -4,-1.8 -3,-0.1 -5,-0.3 -4,-0.1 0.894 67.2 -48.3 41.5 57.6 44.4 -4.0 -33.7 69 70 A K T 3 S+ 0 0 193 -5,-0.4 -1,-0.3 2,-0.2 -2,-0.1 0.396 108.1 118.9 75.3 -0.2 43.7 -1.3 -31.2 70 71 A R S < S- 0 0 116 -3,-1.8 -2,-0.1 1,-0.1 -1,-0.1 0.903 87.6 -2.6 -62.5 -44.8 43.2 1.5 -33.8 71 72 A I S S- 0 0 30 -4,-0.0 -2,-0.2 -68,-0.0 -33,-0.2 -0.929 94.9 -79.8-140.1 163.7 39.5 2.1 -32.8 72 73 A P - 0 0 33 0, 0.0 -33,-2.2 0, 0.0 2,-0.4 -0.359 38.6-154.2 -65.8 142.5 37.2 0.4 -30.2 73 74 A V E -c 39 0A 3 -35,-0.2 25,-2.6 23,-0.2 26,-1.1 -0.990 9.0-171.2-121.4 129.6 35.5 -2.9 -31.1 74 75 A I E -cd 40 99A 0 -35,-2.8 -33,-3.2 -2,-0.4 2,-0.4 -0.936 7.6-155.5-119.3 132.1 32.2 -3.9 -29.5 75 76 A A E -cd 41 100A 0 24,-1.8 26,-3.4 -2,-0.4 2,-0.6 -0.911 19.1-125.0-108.4 141.5 30.8 -7.4 -30.0 76 77 A G E + d 0 101A 18 -35,-2.2 26,-0.2 -2,-0.4 -16,-0.1 -0.738 44.4 155.9 -74.9 123.1 27.1 -8.4 -29.7 77 78 A T + 0 0 5 24,-2.2 12,-0.3 -2,-0.6 11,-0.2 0.398 30.3 105.6-132.2 3.2 27.2 -11.2 -27.1 78 79 A G + 0 0 20 23,-1.1 2,-0.2 10,-0.1 26,-0.1 -0.503 36.6 169.5 -85.9 157.2 23.8 -11.3 -25.6 79 80 A S - 0 0 25 24,-0.2 6,-0.1 2,-0.2 -2,-0.0 -0.838 50.1 -97.6-146.2-174.9 21.0 -13.8 -26.2 80 81 A N S S+ 0 0 39 -2,-0.2 2,-0.5 25,-0.1 -2,-0.0 0.470 106.8 75.8 -90.5 -1.0 17.6 -14.7 -24.6 81 82 A N S > S- 0 0 83 1,-0.1 4,-2.1 24,-0.0 -2,-0.2 -0.953 72.9-153.2-107.1 115.5 19.3 -17.5 -22.6 82 83 A T H > S+ 0 0 51 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.906 93.1 53.1 -61.9 -45.4 21.3 -16.1 -19.7 83 84 A A H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.919 111.5 47.8 -52.9 -43.9 23.8 -19.0 -19.5 84 85 A A H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.874 109.6 51.6 -70.0 -37.1 24.6 -18.5 -23.2 85 86 A S H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.921 110.9 50.4 -62.7 -44.6 25.0 -14.7 -22.8 86 87 A I H X S+ 0 0 40 -4,-2.7 4,-2.5 -5,-0.2 5,-0.3 0.975 111.4 46.3 -51.3 -58.1 27.4 -15.4 -19.9 87 88 A A H X S+ 0 0 62 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.887 115.5 45.3 -61.1 -41.0 29.6 -17.9 -21.9 88 89 A M H X S+ 0 0 20 -4,-2.1 4,-2.7 -11,-0.2 -1,-0.2 0.898 112.7 51.2 -69.5 -43.3 29.8 -15.7 -25.1 89 90 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 -12,-0.3 -2,-0.2 0.924 110.6 47.5 -57.1 -51.3 30.5 -12.5 -23.1 90 91 A K H X S+ 0 0 99 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.899 112.4 52.5 -55.5 -43.2 33.4 -14.1 -21.1 91 92 A W H X S+ 0 0 50 -4,-1.8 4,-0.8 -5,-0.3 -2,-0.2 0.949 109.9 44.6 -64.6 -49.7 34.7 -15.4 -24.4 92 93 A A H ><>S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.2 3,-0.6 0.868 113.5 53.6 -63.8 -34.8 34.8 -12.0 -26.3 93 94 A E H ><5S+ 0 0 47 -4,-2.2 3,-2.5 -5,-0.2 -2,-0.2 0.979 103.5 56.1 -55.0 -54.1 36.3 -10.5 -23.2 94 95 A S H 3<5S+ 0 0 88 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.613 107.1 48.7 -56.6 -21.7 39.1 -13.1 -23.2 95 96 A I T <<5S- 0 0 34 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.178 125.1 -94.4-108.7 13.0 40.2 -12.2 -26.8 96 97 A G T < 5 + 0 0 42 -3,-2.5 -3,-0.2 1,-0.2 -23,-0.2 0.682 59.9 163.8 89.9 23.7 40.3 -8.5 -26.2 97 98 A V < - 0 0 8 -5,-2.3 -1,-0.2 1,-0.1 -23,-0.2 -0.384 32.0-144.0 -61.7 152.3 37.0 -6.9 -27.2 98 99 A D S S+ 0 0 72 -25,-2.6 2,-0.3 1,-0.2 -24,-0.2 0.652 74.3 11.6 -95.7 -17.3 36.6 -3.4 -25.8 99 100 A G E -d 74 0A 0 -26,-1.1 -24,-1.8 29,-0.1 2,-0.5 -0.981 64.7-130.9-151.8 161.1 32.9 -3.5 -25.1 100 101 A L E -de 75 130A 0 29,-2.2 31,-3.4 -2,-0.3 2,-0.7 -0.970 9.0-154.2-117.9 128.1 29.9 -5.9 -25.0 101 102 A L E -de 76 131A 6 -26,-3.4 -24,-2.2 -2,-0.5 -23,-1.1 -0.919 22.1-175.6-101.0 111.3 26.6 -5.2 -26.7 102 103 A V E - e 0 132A 0 29,-2.6 31,-2.3 -2,-0.7 -26,-0.1 -0.912 10.5-153.0-121.2 103.4 24.1 -7.1 -24.7 103 104 A I E - e 0 133A 23 -2,-0.6 -24,-0.2 29,-0.2 31,-0.2 -0.370 25.5-106.6 -70.9 150.4 20.4 -7.2 -25.8 104 105 A T - 0 0 0 29,-1.6 -1,-0.1 1,-0.2 37,-0.1 -0.292 54.1 -82.2 -58.9 158.5 17.5 -7.8 -23.4 105 106 A P - 0 0 5 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.323 54.3-161.2 -58.5 159.1 15.9 -11.3 -23.6 106 107 A Y + 0 0 70 3,-0.2 2,-2.5 -3,-0.1 34,-0.2 -0.984 58.1 5.8-145.3 150.1 13.4 -11.5 -26.5 107 108 A Y S S+ 0 0 202 32,-1.8 32,-0.0 -2,-0.3 0, 0.0 -0.446 133.7 45.6 73.4 -69.1 10.6 -13.9 -27.4 108 109 A N S S+ 0 0 93 -2,-2.5 -1,-0.3 1,-0.1 -27,-0.0 0.905 95.4 170.0 -62.4 -40.4 10.9 -15.8 -24.0 109 110 A K - 0 0 92 -3,-0.1 2,-0.2 30,-0.1 -3,-0.2 -0.105 17.4-152.5 60.9-165.9 11.1 -12.3 -22.4 110 111 A T - 0 0 63 -5,-0.2 2,-0.1 0, 0.0 -1,-0.0 -0.928 22.3 -75.5 179.3-175.4 10.9 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139.6 25.9-119.4 -29.8 27.1 3.2 -46.6 210 211 A I >X + 0 0 14 -4,-2.0 4,-1.6 1,-0.1 3,-0.8 -0.440 63.0 160.2-133.3 62.1 27.9 6.7 -45.6 211 212 A P H 3> S+ 0 0 3 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.858 75.5 58.7 -51.5 -38.6 30.3 6.4 -42.5 212 213 A E H 3> S+ 0 0 69 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.874 106.0 47.7 -56.7 -41.3 31.5 10.1 -43.1 213 214 A D H <> S+ 0 0 42 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.896 113.1 47.0 -69.2 -39.7 28.0 11.6 -42.7 214 215 A V H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.933 115.5 45.4 -74.1 -41.4 27.2 9.6 -39.6 215 216 A H H X S+ 0 0 10 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.936 115.9 45.4 -63.9 -47.2 30.5 10.5 -37.9 216 217 A N H X S+ 0 0 52 -4,-2.6 4,-3.0 -5,-0.2 5,-0.3 0.881 107.1 57.9 -68.3 -35.0 30.4 14.2 -38.9 217 218 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.947 113.6 40.0 -58.4 -49.0 26.8 14.6 -37.8 218 219 A C H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.946 116.2 49.1 -61.1 -53.8 27.7 13.4 -34.3 219 220 A E H X S+ 0 0 90 -4,-2.7 4,-1.7 1,-0.2 6,-0.2 0.950 114.1 46.6 -53.3 -54.1 31.0 15.3 -34.1 220 221 A L H <>S+ 0 0 45 -4,-3.0 5,-2.1 2,-0.2 4,-0.3 0.918 114.3 47.2 -51.3 -51.1 29.3 18.5 -35.3 221 222 A Y H ><5S+ 0 0 51 -4,-2.4 3,-1.8 -5,-0.3 -2,-0.2 0.959 113.4 47.2 -59.6 -50.4 26.4 18.1 -32.9 222 223 A L H 3<5S+ 0 0 67 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.745 109.0 56.7 -63.9 -24.3 28.7 17.4 -29.9 223 224 A N T 3<5S- 0 0 116 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.444 122.4-101.2 -89.3 2.5 30.9 20.3 -30.8 224 225 A G T < 5S+ 0 0 58 -3,-1.8 2,-1.5 -4,-0.3 3,-0.3 0.349 90.7 118.9 97.2 -6.2 28.0 22.9 -30.6 225 226 A K >< + 0 0 65 -5,-2.1 4,-1.9 -6,-0.2 5,-0.2 -0.437 30.8 155.5 -88.3 62.8 27.6 23.1 -34.5 226 227 A V H > + 0 0 54 -2,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.810 64.0 51.8 -69.2 -31.0 24.0 21.9 -34.1 227 228 A N H > S+ 0 0 120 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.899 108.2 49.9 -72.2 -39.9 22.7 23.4 -37.4 228 229 A E H > S+ 0 0 101 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.922 114.4 47.4 -63.7 -38.7 25.4 21.9 -39.6 229 230 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 3,-0.3 0.913 107.8 55.4 -66.6 -43.8 24.6 18.5 -37.9 230 231 A L H X S+ 0 0 64 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.901 102.8 56.3 -57.4 -40.5 20.9 19.0 -38.4 231 232 A K H X S+ 0 0 132 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.883 105.4 49.8 -65.7 -39.8 21.3 19.5 -42.1 232 233 A I H X S+ 0 0 27 -4,-1.2 4,-1.9 -3,-0.3 -1,-0.2 0.932 111.7 51.0 -59.3 -44.2 23.1 16.1 -42.6 233 234 A Q H < S+ 0 0 8 -4,-1.9 4,-0.4 1,-0.2 -2,-0.2 0.938 114.6 41.1 -59.3 -49.7 20.3 14.5 -40.6 234 235 A L H >< S+ 0 0 103 -4,-2.7 3,-0.9 1,-0.2 4,-0.5 0.896 113.4 52.0 -70.8 -41.6 17.5 16.1 -42.8 235 236 A D H 3< S+ 0 0 88 -4,-2.7 4,-0.3 1,-0.2 3,-0.3 0.863 116.5 40.4 -61.1 -35.2 19.3 15.6 -46.2 236 237 A S T 3X S+ 0 0 0 -4,-1.9 4,-2.9 -5,-0.2 -1,-0.2 0.365 88.8 96.8 -93.6 0.7 19.9 11.8 -45.4 237 238 A L H <> S+ 0 0 57 -3,-0.9 4,-2.7 -4,-0.4 5,-0.3 0.913 82.2 48.6 -63.5 -44.0 16.5 11.2 -43.9 238 239 A A H > S+ 0 0 46 -4,-0.5 4,-1.9 -3,-0.3 -1,-0.2 0.927 114.2 46.2 -67.4 -43.3 14.8 9.8 -47.0 239 240 A L H > S+ 0 0 2 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.944 112.3 52.9 -55.7 -48.6 17.7 7.4 -47.7 240 241 A T H < S+ 0 0 1 -4,-2.9 4,-0.2 1,-0.2 -2,-0.2 0.885 109.7 46.2 -56.1 -47.5 17.7 6.4 -44.0 241 242 A N H >< S+ 0 0 80 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.868 107.6 58.8 -63.5 -37.7 13.9 5.5 -44.0 242 243 A A H >< S+ 0 0 6 -4,-1.9 3,-1.3 1,-0.3 4,-0.3 0.856 98.2 59.9 -58.9 -34.0 14.5 3.6 -47.3 243 244 A L T 3< S+ 0 0 0 -4,-1.6 9,-0.4 1,-0.2 -1,-0.3 0.571 108.3 45.5 -70.5 -9.7 17.0 1.5 -45.4 244 245 A F T < S+ 0 0 82 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.283 77.4 105.8-114.2 12.0 14.2 0.5 -43.1 245 246 A I S < S+ 0 0 53 -3,-1.3 2,-0.3 -4,-0.2 -2,-0.1 0.782 95.0 18.2 -62.5 -28.2 11.5 -0.2 -45.8 246 247 A E S S- 0 0 35 -4,-0.3 27,-0.1 -3,-0.1 4,-0.0 -0.927 117.6 -58.1-132.1 161.8 12.0 -3.9 -45.1 247 248 A T S > S- 0 0 81 -2,-0.3 3,-2.2 3,-0.1 -2,-0.1 -0.145 77.3 -89.4 -38.2 114.6 13.6 -5.7 -42.0 248 249 A N T 3 S+ 0 0 6 1,-0.3 -1,-0.1 2,-0.2 -4,-0.1 -0.420 110.7 33.1 -60.9 138.1 17.2 -4.5 -41.6 249 250 A P T 3> S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 5,-0.4 -0.863 103.2 79.0 -94.2 21.5 19.7 -5.7 -42.8 250 251 A I H <> S+ 0 0 10 -3,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.954 102.0 38.7 -52.1 -52.5 17.8 -6.6 -46.0 251 252 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.907 115.7 49.8 -71.9 -38.1 17.9 -3.1 -47.3 252 253 A V H > S+ 0 0 0 -9,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.887 113.7 45.5 -69.0 -34.0 21.4 -2.1 -46.3 253 254 A K H X S+ 0 0 2 -4,-2.2 4,-1.8 2,-0.2 10,-0.2 0.897 112.9 52.3 -69.3 -39.6 23.0 -5.3 -47.7 254 255 A T H X S+ 0 0 26 -4,-1.8 4,-1.8 -5,-0.4 -2,-0.2 0.909 111.5 47.2 -60.0 -41.1 20.9 -4.7 -50.9 255 256 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.931 106.3 55.4 -70.8 -46.0 22.2 -1.2 -51.1 256 257 A M H <>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 6,-0.3 0.898 109.4 49.2 -52.6 -40.8 25.9 -2.0 -50.5 257 258 A N H ><5S+ 0 0 58 -4,-1.8 3,-1.5 1,-0.2 5,-0.3 0.877 107.4 53.3 -68.9 -39.4 25.6 -4.4 -53.5 258 259 A L H 3<5S+ 0 0 55 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.705 105.2 56.6 -61.0 -24.9 24.0 -1.7 -55.6 259 260 A M T 3<5S- 0 0 40 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.110 122.6-110.4 -94.6 16.1 27.0 0.4 -54.7 260 261 A N T < 5S+ 0 0 119 -3,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.686 79.9 130.6 71.3 25.3 29.3 -2.3 -56.1 261 262 A M < - 0 0 32 -5,-2.6 -4,-0.2 -6,-0.2 -1,-0.1 0.607 57.6-142.3 -89.1 -12.8 30.7 -3.4 -52.7 262 263 A K + 0 0 137 -6,-0.3 -5,-0.1 -5,-0.3 -239,-0.1 0.923 39.7 157.1 55.7 60.7 30.0 -7.1 -53.4 263 264 A V - 0 0 0 1,-0.3 -249,-1.0 -10,-0.2 -243,-0.1 0.289 43.3-128.9-102.5 4.7 29.0 -8.2 -49.9 264 265 A G - 0 0 25 -251,-0.2 -1,-0.3 -11,-0.1 2,-0.2 -0.229 36.5 -38.3 85.5-170.6 27.0 -11.3 -50.8 265 266 A D - 0 0 129 -251,-0.3 -251,-0.3 1,-0.1 2,-0.1 -0.517 53.3-109.4 -96.6 156.0 23.5 -12.6 -50.1 266 267 A L - 0 0 32 -2,-0.2 2,-0.4 -253,-0.1 6,-0.1 -0.451 33.4-119.0 -76.6 156.1 21.4 -12.5 -46.9 267 268 A R > - 0 0 52 -2,-0.1 3,-2.1 4,-0.1 -217,-0.1 -0.817 48.2 -62.4 -99.1 144.0 20.8 -15.8 -44.9 268 269 A L T 3 S+ 0 0 145 -2,-0.4 3,-0.1 1,-0.4 -1,-0.1 -0.329 120.1 37.2 -61.5 143.0 17.3 -17.1 -44.4 269 270 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.966 114.8 68.9 -86.1 5.0 14.9 -16.2 -43.0 270 271 A L S < S+ 0 0 31 -3,-2.1 2,-0.3 -223,-0.0 -22,-0.0 -0.563 70.0 166.9 -72.9 152.1 16.1 -12.8 -44.4 271 272 A C - 0 0 67 -2,-0.2 -4,-0.1 -3,-0.1 0, 0.0 -0.938 37.4 -51.0-158.3 171.7 15.7 -12.6 -48.2 272 273 A E - 0 0 174 -2,-0.3 -1,-0.1 -6,-0.1 -22,-0.1 -0.042 62.5-102.3 -51.7 146.6 15.8 -10.3 -51.3 273 274 A M - 0 0 19 -23,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.309 36.1-104.6 -65.8 154.8 13.6 -7.2 -51.3 274 275 A N > - 0 0 81 1,-0.1 4,-2.6 4,-0.0 5,-0.1 -0.456 36.1-107.3 -77.1 163.9 10.4 -7.1 -53.1 275 276 A E H > S+ 0 0 120 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.918 113.1 48.9 -63.5 -51.5 10.4 -5.0 -56.4 276 277 A N H > S+ 0 0 100 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.937 116.5 44.7 -56.2 -42.8 8.4 -1.9 -55.4 277 278 A N H > S+ 0 0 23 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.904 109.0 56.6 -71.4 -39.2 10.6 -1.4 -52.3 278 279 A L H X S+ 0 0 31 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.929 108.0 48.9 -52.3 -48.2 13.7 -2.2 -54.3 279 280 A E H X S+ 0 0 85 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.871 109.2 51.3 -61.9 -39.6 12.8 0.8 -56.6 280 281 A I H X S+ 0 0 65 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.940 111.0 49.2 -64.7 -42.0 12.1 3.1 -53.7 281 282 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.971 111.2 48.6 -57.1 -53.8 15.6 2.2 -52.3 282 283 A K H X S+ 0 0 48 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.876 107.8 54.5 -53.5 -47.0 17.4 2.8 -55.7 283 284 A K H X S+ 0 0 121 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.901 112.5 44.3 -54.7 -43.9 15.7 6.2 -56.1 284 285 A E H X S+ 0 0 41 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.890 111.6 51.7 -75.7 -36.2 17.0 7.2 -52.7 285 286 A L H <>S+ 0 0 0 -4,-2.8 5,-3.1 2,-0.2 6,-0.6 0.930 113.7 45.5 -58.9 -47.8 20.5 5.8 -53.3 286 287 A K H ><5S+ 0 0 112 -4,-3.1 3,-2.3 4,-0.2 -2,-0.2 0.960 110.5 51.7 -64.2 -48.8 20.7 7.8 -56.6 287 288 A A H 3<5S+ 0 0 76 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.842 110.7 50.5 -57.8 -33.5 19.3 11.0 -55.1 288 289 A Y T 3<5S- 0 0 48 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.183 118.7-112.5 -86.0 17.2 22.0 10.7 -52.4 289 290 A N T < 5S+ 0 0 151 -3,-2.3 -3,-0.2 2,-0.1 -2,-0.1 0.829 83.5 121.6 61.5 33.6 24.8 10.2 -55.0 290 291 A L < 0 0 35 -5,-3.1 -4,-0.2 1,-0.2 -1,-0.1 0.569 360.0 360.0-105.4 -15.7 25.4 6.6 -53.9 291 292 A M 0 0 103 -6,-0.6 -1,-0.2 -9,-0.1 -2,-0.1 -0.940 360.0 360.0-153.7 360.0 24.7 4.9 -57.3