==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 11-JUL-06 2HMC . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; . AUTHOR Y.KIM,R.ZHANG,X.XU,H.ZHENG,A.SAVCHENKO,A.JOACHIMIAK,MIDWEST . 314 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13519.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 16 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.2 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 1 0 1 0 0 2 1 0 3 3 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 2 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 . 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 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 -3 A Y 0 0 193 0, 0.0 3,-0.5 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 124.6 27.9 31.2 9.4 2 -2 A F + 0 0 42 1,-0.2 3,-0.1 160,-0.2 161,-0.1 0.896 360.0 41.0 -67.8 -47.0 25.6 28.7 11.2 3 -1 A Q S > S- 0 0 44 1,-0.2 3,-1.5 3,-0.1 2,-0.3 0.517 93.0-167.2 -80.0 -5.0 23.4 27.5 8.3 4 0 A G T 3 - 0 0 43 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.1 -0.387 62.8 -2.8 61.6-113.8 26.5 27.4 6.1 5 1 A X T 3 S+ 0 0 197 -2,-0.3 -1,-0.2 -3,-0.1 2,-0.2 0.659 109.8 94.6 -90.8 -18.7 25.7 27.0 2.4 6 2 A T S < S- 0 0 109 -3,-1.5 3,-0.1 1,-0.1 -3,-0.1 -0.452 84.1-101.9 -80.0 144.2 21.9 26.7 2.7 7 3 A A - 0 0 81 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.381 53.9 -88.6 -60.6 141.5 19.5 29.7 2.3 8 4 A S > - 0 0 35 1,-0.2 3,-1.5 2,-0.1 -1,-0.1 -0.272 19.9-141.3 -64.8 134.8 18.3 30.9 5.6 9 5 A I T 3 S+ 0 0 18 1,-0.2 -1,-0.2 94,-0.2 95,-0.1 0.672 102.0 61.6 -59.9 -17.7 15.1 29.4 7.1 10 6 A F T 3 S+ 0 0 0 201,-0.1 2,-0.3 127,-0.1 -1,-0.2 0.234 87.1 90.5-100.4 12.9 14.2 33.0 8.2 11 7 A S S < S+ 0 0 40 -3,-1.5 200,-0.3 200,-0.1 2,-0.1 -0.743 73.1 22.4-104.3 160.0 14.1 34.5 4.8 12 8 A G E S-a 211 0A 23 198,-1.9 200,-2.5 -2,-0.3 2,-0.5 -0.414 104.0 -37.4 87.3-161.2 11.0 34.8 2.5 13 9 A V E -a 212 0A 13 30,-0.3 32,-2.7 198,-0.2 33,-0.7 -0.905 58.6-174.9-110.9 124.9 7.3 34.8 3.4 14 10 A I E -a 213 0A 0 198,-3.2 200,-2.6 -2,-0.5 2,-0.2 -0.950 14.3-143.5-129.4 108.3 6.4 32.3 6.2 15 11 A P E -a 214 0A 0 0, 0.0 33,-2.8 0, 0.0 2,-0.9 -0.528 10.4-139.0 -72.8 137.9 2.8 31.6 7.3 16 12 A A B -b 48 0A 12 198,-2.6 33,-0.2 -2,-0.2 202,-0.1 -0.868 39.3-133.1 -84.4 106.1 2.0 31.0 11.0 17 13 A L - 0 0 2 31,-1.9 34,-0.3 -2,-0.9 2,-0.2 -0.336 7.3-134.8 -71.9 141.9 -0.4 28.1 10.4 18 14 A X - 0 0 2 36,-0.1 36,-0.3 197,-0.1 35,-0.1 -0.574 22.1-123.4 -82.7 155.9 -3.8 27.7 12.0 19 15 A T - 0 0 0 34,-0.5 2,-0.1 -2,-0.2 10,-0.1 -0.908 24.0-131.7-105.8 110.6 -4.7 24.2 13.4 20 16 A P - 0 0 0 0, 0.0 8,-3.3 0, 0.0 2,-0.4 -0.433 20.0-144.3 -65.4 142.2 -7.9 22.9 11.8 21 17 A C B -I 27 0B 8 258,-0.7 261,-0.5 261,-0.4 260,-0.2 -0.877 6.4-141.2-114.4 128.7 -10.4 21.6 14.4 22 18 A R > - 0 0 95 4,-2.9 3,-1.9 -2,-0.4 6,-0.0 -0.276 36.2 -95.9 -76.5 174.9 -12.7 18.6 13.8 23 19 A Q T 3 S+ 0 0 149 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.855 130.8 53.5 -59.9 -32.6 -16.3 18.2 15.0 24 20 A D T 3 S- 0 0 98 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.348 118.9-117.6 -81.4 6.6 -14.9 16.4 18.0 25 21 A R S < S+ 0 0 59 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.0 0.670 74.0 127.2 62.9 21.8 -12.6 19.4 18.6 26 22 A T S S- 0 0 44 1,-0.1 -4,-2.9 33,-0.0 -1,-0.2 -0.687 70.8 -87.2 -98.8 160.0 -9.4 17.4 18.1 27 23 A P B -I 21 0B 5 0, 0.0 2,-1.0 0, 0.0 -6,-0.3 -0.459 27.4-137.4 -70.6 140.7 -6.8 18.7 15.5 28 24 A D > + 0 0 36 -8,-3.3 4,-1.5 1,-0.2 5,-0.1 -0.832 26.0 176.0 -95.9 96.7 -7.1 17.7 11.9 29 25 A F H > S+ 0 0 13 -2,-1.0 4,-2.6 2,-0.2 5,-0.2 0.804 75.8 58.8 -76.1 -30.3 -3.5 17.0 11.0 30 26 A D H > S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.949 109.7 45.5 -59.1 -46.6 -4.2 15.8 7.5 31 27 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.844 110.7 53.3 -64.2 -35.5 -5.8 19.2 6.8 32 28 A L H X S+ 0 0 1 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.956 111.9 44.9 -65.0 -48.7 -2.8 21.0 8.5 33 29 A V H X S+ 0 0 10 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.887 112.4 52.1 -60.6 -43.3 -0.3 19.2 6.2 34 30 A R H X S+ 0 0 119 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.919 111.5 46.1 -61.4 -44.7 -2.5 19.8 3.1 35 31 A K H X S+ 0 0 9 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.921 112.3 51.5 -65.1 -42.6 -2.6 23.5 3.9 36 32 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.938 110.9 47.2 -55.3 -52.2 1.1 23.6 4.6 37 33 A K H X S+ 0 0 115 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.913 112.1 51.6 -58.0 -44.5 1.9 21.9 1.3 38 34 A E H X S+ 0 0 80 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.864 108.9 49.2 -59.3 -40.6 -0.5 24.2 -0.6 39 35 A L H <>S+ 0 0 1 -4,-2.2 5,-2.2 2,-0.2 4,-0.3 0.896 109.0 51.1 -73.9 -39.0 1.1 27.4 0.9 40 36 A I H ><5S+ 0 0 53 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.959 110.2 51.9 -58.2 -47.7 4.7 26.3 0.0 41 37 A A H 3<5S+ 0 0 86 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.788 103.1 58.2 -59.7 -29.6 3.4 25.6 -3.6 42 38 A D T 3<5S- 0 0 43 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.483 133.8 -86.4 -75.3 -5.6 1.9 29.2 -3.7 43 39 A G T < 5S+ 0 0 44 -3,-2.1 -30,-0.3 1,-0.4 -3,-0.2 0.327 80.9 140.5 114.7 -6.6 5.4 30.6 -3.0 44 40 A X < - 0 0 6 -5,-2.2 -1,-0.4 1,-0.1 -30,-0.2 -0.389 42.1-148.6 -63.1 149.4 5.8 30.6 0.8 45 41 A S - 0 0 60 -32,-2.7 2,-0.3 1,-0.2 -31,-0.2 0.742 66.1 -18.6 -93.5 -29.7 9.3 29.6 2.0 46 42 A A - 0 0 0 -33,-0.7 2,-0.3 30,-0.1 -1,-0.2 -0.899 62.7-122.4-160.0 177.1 8.6 27.9 5.3 47 43 A V E - c 0 78A 0 30,-2.1 32,-2.8 -2,-0.3 2,-0.5 -0.944 12.3-133.5-129.5 159.8 5.8 27.6 7.9 48 44 A V E -bc 16 79A 0 -33,-2.8 -31,-1.9 -2,-0.3 3,-0.3 -0.957 28.1-155.3-109.4 130.8 5.6 28.3 11.7 49 45 A Y E + c 0 80A 0 30,-2.3 32,-1.3 -2,-0.5 -31,-0.1 -0.939 61.7 6.7-153.8 138.9 4.0 25.7 13.9 50 46 A C S S+ 0 0 2 30,-0.3 33,-0.3 -2,-0.3 -1,-0.2 0.319 84.3 131.5-109.5 113.4 2.6 25.7 16.6 51 47 A G S > >S- 0 0 6 -34,-0.3 5,-1.6 -3,-0.3 3,-0.5 -0.170 77.4 -71.1-101.3-162.7 2.4 29.4 17.4 52 48 A S G > 5S+ 0 0 68 1,-0.2 3,-1.1 3,-0.2 213,-0.1 0.795 132.8 57.9 -68.2 -26.9 -0.4 31.6 18.7 53 49 A X G 3 5S+ 0 0 4 1,-0.2 -34,-0.5 2,-0.1 -1,-0.2 0.829 103.6 54.4 -67.3 -31.7 -2.1 31.4 15.2 54 50 A G G < 5S- 0 0 0 -3,-0.5 -1,-0.2 -36,-0.3 -2,-0.2 0.248 118.0-113.0 -85.7 11.0 -2.1 27.6 15.7 55 51 A D T X>5 + 0 0 14 -3,-1.1 3,-2.0 3,-0.1 4,-0.5 0.825 49.4 172.9 60.7 39.1 -3.9 27.8 19.0 56 52 A W G >4 - 0 0 68 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.306 31.7-111.1 -74.0 162.7 -1.3 19.6 24.5 61 57 A D H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.890 121.7 53.5 -58.5 -37.1 2.4 19.7 24.0 62 58 A E H > S+ 0 0 135 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.878 104.8 51.8 -67.2 -42.1 2.0 16.2 22.4 63 59 A Q H > S+ 0 0 52 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.929 110.7 49.8 -57.6 -46.1 -0.6 17.4 19.9 64 60 A R H X S+ 0 0 2 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.939 110.5 48.9 -59.3 -48.7 1.7 20.2 18.8 65 61 A X H X S+ 0 0 33 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.824 108.7 53.3 -64.0 -34.7 4.7 17.8 18.4 66 62 A E H X S+ 0 0 101 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.961 110.8 48.2 -60.7 -51.6 2.5 15.4 16.4 67 63 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.943 111.1 49.2 -48.8 -54.3 1.6 18.4 14.1 68 64 A V H X S+ 0 0 3 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.944 111.6 50.1 -55.3 -48.9 5.3 19.4 13.8 69 65 A E H X S+ 0 0 65 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.890 109.8 50.1 -56.0 -44.5 6.3 15.8 12.9 70 66 A R H X S+ 0 0 80 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.935 112.4 46.6 -62.2 -48.0 3.5 15.5 10.2 71 67 A L H <>S+ 0 0 0 -4,-2.6 5,-1.8 2,-0.2 -2,-0.2 0.919 115.7 45.9 -59.6 -42.1 4.5 18.8 8.6 72 68 A V H ><5S+ 0 0 30 -4,-2.9 3,-1.7 -5,-0.2 -2,-0.2 0.916 110.5 53.0 -69.4 -45.1 8.3 17.8 8.7 73 69 A K H 3<5S+ 0 0 141 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.791 103.9 58.3 -53.8 -34.1 7.5 14.3 7.4 74 70 A A T 3<5S- 0 0 38 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.437 121.2-105.2 -81.5 -2.1 5.6 15.8 4.4 75 71 A G T < 5S+ 0 0 62 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.442 73.1 140.1 93.4 3.6 8.7 17.8 3.3 76 72 A I < - 0 0 10 -5,-1.8 2,-0.5 1,-0.1 -1,-0.3 -0.637 58.3-119.2 -81.8 129.3 7.6 21.3 4.5 77 73 A P - 0 0 39 0, 0.0 -30,-2.1 0, 0.0 2,-0.4 -0.607 39.2-161.1 -68.9 122.0 10.3 23.4 6.0 78 74 A V E -c 47 0A 0 -2,-0.5 25,-1.7 -32,-0.2 26,-1.6 -0.898 23.1-161.5-115.2 132.9 9.1 24.0 9.6 79 75 A I E -cd 48 104A 2 -32,-2.8 -30,-2.3 -2,-0.4 2,-0.4 -0.973 30.3-136.1-103.0 121.0 10.1 26.7 12.2 80 76 A V E -cd 49 105A 3 24,-2.5 26,-3.1 -2,-0.5 2,-0.4 -0.676 6.0-137.9 -86.2 127.4 8.9 25.3 15.6 81 77 A G E - d 0 106A 1 -32,-1.3 26,-0.1 -2,-0.4 -1,-0.0 -0.704 11.8-166.8 -83.6 133.9 7.2 27.6 18.0 82 78 A T + 0 0 1 24,-1.7 11,-0.1 -2,-0.4 12,-0.1 0.153 34.1 141.3-106.4 12.4 8.3 27.1 21.6 83 79 A G + 0 0 2 -33,-0.3 2,-0.3 23,-0.1 27,-0.1 -0.393 29.6 156.0 -52.7 135.9 5.6 29.0 23.4 84 80 A A - 0 0 7 25,-0.3 27,-0.4 1,-0.1 3,-0.1 -0.975 59.3-107.7-163.6 164.9 4.8 27.1 26.6 85 81 A V S S+ 0 0 81 -2,-0.3 2,-0.3 1,-0.1 28,-0.1 0.797 102.3 3.5 -74.0 -27.2 3.4 27.1 30.1 86 82 A N S > S- 0 0 76 1,-0.1 4,-2.1 24,-0.1 5,-0.2 -0.944 78.4 -98.8-151.9 169.8 6.9 26.7 31.5 87 83 A T H > S+ 0 0 37 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.894 117.5 56.2 -60.1 -42.8 10.6 26.5 30.6 88 84 A A H > S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.921 110.2 45.4 -60.2 -43.0 10.7 22.7 30.8 89 85 A S H > S+ 0 0 8 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.897 111.9 50.7 -66.5 -41.7 7.9 22.4 28.3 90 86 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 3,-0.2 0.934 110.4 52.1 -56.7 -45.5 9.5 25.0 25.9 91 87 A V H X S+ 0 0 37 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.903 105.4 53.3 -60.1 -43.4 12.7 23.0 26.2 92 88 A A H X S+ 0 0 45 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.829 106.1 53.8 -64.9 -30.9 10.9 19.8 25.2 93 89 A H H X S+ 0 0 4 -4,-1.6 4,-2.1 -3,-0.2 -1,-0.2 0.888 111.3 46.4 -65.5 -41.0 9.5 21.4 22.1 94 90 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.899 110.7 50.8 -68.1 -44.8 13.0 22.4 21.1 95 91 A V H X S+ 0 0 78 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.947 113.9 47.0 -54.8 -47.4 14.5 19.0 21.8 96 92 A H H X S+ 0 0 18 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.866 106.7 56.8 -64.7 -40.6 11.7 17.5 19.7 97 93 A A H X>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 4,-1.6 0.932 111.9 42.2 -53.0 -51.8 12.3 20.1 16.9 98 94 A Q H <5S+ 0 0 53 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.923 114.6 51.5 -63.0 -44.8 16.0 19.0 16.6 99 95 A K H <5S+ 0 0 162 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.891 114.0 43.0 -55.4 -44.7 15.1 15.2 16.9 100 96 A V H <5S- 0 0 28 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.702 116.7-107.5 -85.5 -22.6 12.5 15.4 14.2 101 97 A G T <5 + 0 0 38 -4,-1.6 -3,-0.2 -5,-0.2 -23,-0.2 0.701 51.7 169.5 103.8 24.4 14.4 17.5 11.7 102 98 A A < - 0 0 2 -5,-2.3 -1,-0.2 -6,-0.2 -23,-0.1 -0.321 32.4-137.3 -61.0 153.6 12.7 20.9 11.8 103 99 A K S S+ 0 0 127 -25,-1.7 2,-0.3 1,-0.1 -94,-0.2 0.597 73.3 14.8 -96.1 -14.6 14.6 23.6 10.0 104 100 A G E -d 79 0A 0 -26,-1.6 -24,-2.5 31,-0.1 2,-0.4 -0.983 59.9-133.7-157.8 168.0 14.2 26.4 12.5 105 101 A L E -de 80 137A 0 31,-2.0 33,-2.2 -2,-0.3 2,-0.7 -0.994 5.4-156.1-132.6 125.4 13.3 27.5 16.0 106 102 A X E -de 81 138A 10 -26,-3.1 -24,-1.7 -2,-0.4 2,-0.8 -0.930 20.2-151.1-100.1 112.9 11.1 30.4 17.2 107 103 A V E - e 0 139A 0 31,-3.2 33,-2.6 -2,-0.7 -26,-0.1 -0.790 12.9-164.0 -95.0 110.4 12.1 31.2 20.7 108 104 A I - 0 0 10 -2,-0.8 3,-0.1 31,-0.2 33,-0.1 -0.744 22.2-105.8 -97.8 138.1 9.3 32.6 22.8 109 105 A P - 0 0 4 0, 0.0 -25,-0.3 0, 0.0 -1,-0.1 -0.148 43.3 -89.8 -57.1 151.8 9.6 34.5 26.1 110 106 A R - 0 0 53 4,-0.1 2,-0.3 5,-0.1 -25,-0.1 -0.350 49.5-161.6 -55.5 137.0 8.7 32.9 29.4 111 107 A V + 0 0 22 -27,-0.4 2,-0.9 -3,-0.1 -24,-0.1 -0.853 53.8 14.8-121.4 160.4 5.0 33.5 30.4 112 108 A L S S+ 0 0 154 -2,-0.3 2,-0.4 -26,-0.1 -26,-0.1 -0.002 114.1 59.2 81.3 -27.3 2.9 33.3 33.6 113 109 A S S S- 0 0 57 -2,-0.9 -3,-0.0 -28,-0.1 0, 0.0 -0.970 126.1 -18.4-140.3 114.7 5.7 33.2 36.0 114 110 A R S > S+ 0 0 139 -2,-0.4 3,-1.8 1,-0.1 7,-0.2 0.764 79.0 157.7 61.0 30.8 8.3 36.0 36.2 115 111 A G T 3 + 0 0 18 1,-0.3 -5,-0.1 5,-0.1 -1,-0.1 0.776 69.6 47.0 -59.9 -31.4 7.4 37.3 32.7 116 112 A S T 3 S+ 0 0 85 31,-0.1 2,-0.8 4,-0.0 -1,-0.3 0.523 86.9 105.8 -85.5 -5.7 8.7 40.8 33.3 117 113 A V <> - 0 0 47 -3,-1.8 4,-2.4 1,-0.2 3,-0.4 -0.646 53.9-162.5 -91.7 113.5 12.0 39.6 34.7 118 114 A I H > S+ 0 0 97 -2,-0.8 4,-2.9 1,-0.3 5,-0.2 0.903 90.2 53.3 -61.3 -43.9 14.9 40.1 32.3 119 115 A A H > S+ 0 0 73 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.852 110.1 48.3 -59.1 -38.1 17.2 37.7 34.2 120 116 A A H > S+ 0 0 5 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.911 110.6 51.3 -69.3 -41.1 14.6 35.0 34.1 121 117 A Q H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.923 107.6 53.8 -58.4 -45.1 14.0 35.6 30.3 122 118 A K H X S+ 0 0 82 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.941 110.5 45.4 -52.6 -49.2 17.8 35.3 29.7 123 119 A A H X S+ 0 0 61 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.873 113.9 50.2 -65.4 -38.0 17.9 31.9 31.5 124 120 A H H X S+ 0 0 6 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.943 111.0 47.3 -64.7 -51.8 14.8 30.7 29.6 125 121 A F H X S+ 0 0 0 -4,-3.1 4,-3.2 1,-0.2 5,-0.2 0.903 112.7 50.8 -52.9 -45.8 16.1 31.7 26.2 126 122 A K H X S+ 0 0 58 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.885 108.5 51.6 -62.9 -41.0 19.4 30.0 27.1 127 123 A A H X S+ 0 0 31 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.901 115.1 42.0 -59.4 -44.9 17.6 26.8 28.1 128 124 A I H >X S+ 0 0 0 -4,-2.2 4,-0.9 2,-0.2 3,-0.9 0.949 114.2 50.6 -69.5 -50.3 15.7 26.7 24.8 129 125 A L H >< S+ 0 0 0 -4,-3.2 3,-0.8 1,-0.3 6,-0.2 0.909 112.6 46.0 -57.6 -44.2 18.6 27.7 22.6 130 126 A S H 3< S+ 0 0 70 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.665 101.8 67.4 -77.8 -8.5 20.9 25.0 24.1 131 127 A A H << S+ 0 0 22 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.758 116.4 24.3 -76.3 -27.0 18.2 22.4 23.8 132 128 A A S X< S+ 0 0 0 -4,-0.9 3,-1.6 -3,-0.8 -1,-0.3 -0.564 75.0 162.0-134.6 65.9 18.3 22.5 20.0 133 129 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.655 72.9 54.5 -72.5 -11.6 21.9 23.7 19.4 134 130 A E T 3 S+ 0 0 136 -3,-0.1 -4,-0.1 2,-0.1 -3,-0.0 0.540 92.0 85.8 -93.7 -8.1 21.9 22.6 15.8 135 131 A I S < S- 0 0 16 -3,-1.6 -31,-0.1 -6,-0.2 -3,-0.1 -0.827 84.4-116.9-102.0 124.5 18.8 24.4 14.8 136 132 A P - 0 0 12 0, 0.0 -31,-2.0 0, 0.0 2,-0.3 -0.328 40.6-155.7 -59.9 140.5 18.9 28.1 13.7 137 133 A A E -ef 105 164A 0 26,-3.7 28,-2.7 -33,-0.2 29,-1.4 -0.899 22.1-166.9-129.0 144.6 17.0 30.3 16.1 138 134 A V E -ef 106 166A 2 -33,-2.2 -31,-3.2 -2,-0.3 2,-0.5 -0.968 22.0-132.1-119.6 147.9 15.2 33.6 16.3 139 135 A I E -ef 107 167A 0 27,-1.7 29,-3.4 -2,-0.4 2,-0.5 -0.861 19.7-136.1 -93.9 132.7 14.0 35.4 19.4 140 136 A Y E - f 0 168A 22 -33,-2.6 2,-0.4 -2,-0.5 29,-0.2 -0.762 20.4-165.8 -88.1 127.3 10.4 36.6 19.3 141 137 A N E + f 0 169A 8 27,-2.9 29,-2.4 -2,-0.5 30,-0.4 -0.961 18.5 150.6-120.1 136.6 10.0 40.2 20.7 142 138 A S B > > -J 147 0C 4 5,-0.5 3,-1.1 -2,-0.4 5,-0.6 -0.983 51.6-128.0-163.5 141.0 6.7 41.7 21.7 143 139 A P G > 5S+ 0 0 78 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.740 102.5 78.0 -65.0 -22.5 5.2 44.2 24.1 144 140 A Y G 3 5S+ 0 0 184 1,-0.2 -3,-0.0 2,-0.1 0, 0.0 0.782 85.1 60.5 -47.4 -37.6 2.7 41.5 25.1 145 141 A Y G < 5S- 0 0 31 -3,-1.1 -1,-0.2 2,-0.3 3,-0.1 0.518 107.8-121.3 -81.6 -5.0 5.4 39.8 27.3 146 142 A G T < 5S+ 0 0 54 -3,-1.6 2,-0.3 1,-0.2 -2,-0.1 0.674 86.6 76.9 73.0 22.6 5.9 42.8 29.5 147 143 A F B < -J 142 0C 17 -5,-0.6 -5,-0.5 -30,-0.1 2,-0.4 -0.989 65.3-144.9-166.0 147.8 9.5 42.8 28.5 148 144 A A - 0 0 47 -2,-0.3 2,-0.6 -32,-0.1 -7,-0.1 -0.989 16.0-136.5-129.8 129.8 11.8 43.7 25.6 149 145 A T - 0 0 1 -2,-0.4 2,-0.2 4,-0.1 -2,-0.0 -0.795 33.4-165.5 -81.1 122.1 15.0 41.9 24.4 150 146 A R > - 0 0 130 -2,-0.6 4,-2.9 1,-0.0 5,-0.2 -0.559 36.1 -92.2-106.0 174.9 17.5 44.6 23.8 151 147 A A H > S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.873 122.2 55.7 -55.0 -42.5 20.8 44.6 21.9 152 148 A D H > S+ 0 0 127 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.933 112.6 40.3 -63.5 -43.2 22.8 43.8 25.1 153 149 A L H > S+ 0 0 10 -3,-0.2 4,-2.4 2,-0.2 3,-0.4 0.959 113.7 54.3 -64.9 -52.2 20.8 40.7 25.9 154 150 A F H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.3 -2,-0.2 0.923 113.6 41.3 -48.6 -47.9 20.6 39.6 22.3 155 151 A F H X S+ 0 0 32 -4,-2.6 4,-1.6 2,-0.2 -1,-0.3 0.744 110.1 56.4 -78.8 -22.8 24.4 39.7 21.8 156 152 A A H X S+ 0 0 36 -4,-1.4 4,-0.7 -3,-0.4 -1,-0.2 0.861 112.1 44.9 -70.1 -37.4 25.1 38.2 25.2 157 153 A L H >X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 3,-1.0 0.919 110.6 52.9 -67.6 -48.4 23.0 35.2 24.2 158 154 A R H 3< S+ 0 0 51 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.851 99.8 63.3 -59.0 -35.0 24.6 35.1 20.8 159 155 A A H 3< S+ 0 0 78 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.829 117.4 28.7 -57.1 -32.9 28.1 34.9 22.4 160 156 A E H << S+ 0 0 141 -3,-1.0 2,-0.4 -4,-0.7 -2,-0.2 0.584 124.0 49.2-102.5 -14.2 27.1 31.6 24.0 161 157 A H >< - 0 0 17 -4,-1.6 3,-2.0 1,-0.1 -1,-0.2 -0.824 56.3-177.9-134.3 92.9 24.6 30.3 21.4 162 158 A K T 3 S+ 0 0 146 -2,-0.4 -160,-0.2 1,-0.3 -1,-0.1 0.641 79.5 70.5 -75.0 -11.9 25.8 30.4 17.8 163 159 A N T 3 S+ 0 0 4 -27,-0.1 -26,-3.7 -34,-0.1 2,-0.9 0.584 72.8 100.2 -76.8 -10.3 22.4 29.1 16.6 164 160 A L E < +f 137 0A 0 -3,-2.0 -26,-0.2 -28,-0.2 -3,-0.1 -0.700 40.2 146.7 -79.2 108.3 20.8 32.5 17.5 165 161 A V E + 0 0 1 -28,-2.7 26,-2.3 -2,-0.9 2,-0.3 0.316 48.6 39.7-125.8 -1.6 20.7 34.2 14.1 166 162 A G E -fg 138 191A 0 -29,-1.4 -27,-1.7 24,-0.2 2,-0.4 -0.969 51.3-144.6-154.9 170.3 17.6 36.3 14.1 167 163 A F E -fg 139 192A 1 24,-2.1 26,-3.0 -2,-0.3 2,-0.5 -0.993 13.6-159.4-138.0 123.1 15.2 38.6 15.7 168 164 A K E -fg 140 193A 14 -29,-3.4 -27,-2.9 -2,-0.4 2,-0.5 -0.916 10.8-159.7-110.0 121.5 11.5 38.7 15.1 169 165 A E E +fg 141 194A 1 24,-2.2 26,-1.8 -2,-0.5 -27,-0.2 -0.888 22.8 167.9-110.2 124.8 9.6 41.9 16.0 170 166 A F + 0 0 46 -29,-2.4 -28,-0.2 -2,-0.5 -1,-0.1 0.615 56.3 87.5 -97.0 -21.7 5.8 42.1 16.7 171 167 A G S S- 0 0 8 -30,-0.4 24,-0.2 1,-0.1 5,-0.1 0.151 86.9 -58.2 -77.3-166.3 5.6 45.6 18.2 172 168 A G > - 0 0 36 1,-0.1 4,-2.1 3,-0.1 3,-0.3 0.052 55.0 -89.7 -72.9 179.9 5.3 48.9 16.4 173 169 A P H > S+ 0 0 85 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.858 126.6 56.0 -53.5 -37.9 7.4 50.6 13.7 174 170 A A H > S+ 0 0 77 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.887 106.6 47.9 -63.1 -42.4 9.4 52.3 16.5 175 171 A D H > S+ 0 0 67 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.884 111.9 51.3 -67.2 -37.4 10.3 48.9 18.1 176 172 A X H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.913 107.7 52.2 -62.9 -45.3 11.3 47.6 14.6 177 173 A R H X S+ 0 0 124 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.910 107.9 51.7 -56.1 -45.3 13.5 50.7 14.0 178 174 A Y H X S+ 0 0 49 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.951 112.0 46.1 -58.3 -50.0 15.3 50.0 17.3 179 175 A A H X>S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-2.4 0.943 115.3 46.2 -59.2 -48.4 16.0 46.4 16.3 180 176 A A H <5S+ 0 0 6 -4,-3.0 5,-0.5 1,-0.2 -2,-0.2 0.909 117.7 43.3 -58.3 -46.2 17.2 47.4 12.8 181 177 A E H <5S+ 0 0 109 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.868 130.1 20.6 -68.8 -37.7 19.4 50.2 14.1 182 178 A N H <5S+ 0 0 80 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.587 131.2 22.5-114.8 -14.5 20.9 48.4 17.1 183 179 A I T <5S+ 0 0 0 -4,-2.5 3,-0.4 -5,-0.3 -3,-0.2 0.729 119.3 34.8-118.4 -53.3 20.7 44.6 16.6 184 180 A T S S- 0 0 5 -27,-0.1 3,-1.5 17,-0.1 -1,-0.1 -0.960 77.7-124.9-150.1 147.6 3.0 41.3 12.6 197 193 A D G > S+ 0 0 8 59,-0.3 3,-0.5 -2,-0.3 60,-0.1 0.703 105.5 59.6 -69.6 -18.9 1.0 41.6 9.4 198 194 A T G 3 S+ 0 0 43 58,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.415 95.0 61.0 -92.4 4.9 0.8 45.3 9.5 199 195 A A G <> + 0 0 9 -3,-1.5 4,-2.4 1,-0.1 -1,-0.2 0.082 64.6 115.3-120.6 24.0 4.5 46.1 9.3 200 196 A V H <> S+ 0 0 10 -3,-0.5 4,-2.7 2,-0.2 5,-0.3 0.957 79.4 39.5 -63.2 -57.0 5.6 44.6 6.0 201 197 A V H >>S+ 0 0 8 1,-0.2 4,-2.6 2,-0.2 5,-0.7 0.929 118.8 48.2 -63.9 -45.4 6.6 47.7 4.0 202 198 A H H >>S+ 0 0 34 3,-0.2 4,-1.0 1,-0.2 5,-0.8 0.903 112.9 49.7 -57.2 -43.4 8.3 49.3 7.0 203 199 A G H X5S+ 0 0 0 -4,-2.4 6,-3.1 3,-0.2 4,-0.7 0.953 119.5 33.8 -65.1 -48.5 10.1 46.0 7.8 204 200 A F H <5S+ 0 0 17 -4,-2.7 4,-0.5 4,-0.2 -2,-0.2 0.926 130.2 31.4 -71.1 -45.9 11.5 45.4 4.3 205 201 A V H <5S+ 0 0 26 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.939 131.6 26.2 -84.8 -51.1 12.1 49.0 3.2 206 202 A N H < S+ 0 0 1 -2,-0.4 3,-1.9 -200,-0.2 4,-0.4 0.802 94.3 43.4 -95.4 -55.6 -1.2 35.5 9.6 216 212 A I G >> S+ 0 0 3 1,-0.3 4,-3.1 2,-0.2 3,-1.7 0.784 99.4 74.0 -64.8 -25.7 -3.3 36.9 6.7 217 213 A G G 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 8,-0.1 0.704 84.4 67.0 -62.7 -17.3 -1.0 35.2 4.2 218 214 A N G <4 S+ 0 0 4 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.861 114.9 29.4 -61.9 -32.5 -2.6 31.9 5.1 219 215 A V T <4 S+ 0 0 1 -3,-1.7 -2,-0.2 -4,-0.4 3,-0.2 0.843 134.9 27.7 -97.1 -45.8 -5.7 33.4 3.5 220 216 A L S X S+ 0 0 1 -4,-3.1 4,-2.4 1,-0.2 5,-0.3 -0.529 71.0 155.3-118.6 61.0 -4.3 35.7 0.8 221 217 A P H > S+ 0 0 8 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.887 72.9 46.4 -60.0 -44.0 -1.0 34.0 0.0 222 218 A K H > S+ 0 0 97 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.914 115.7 46.5 -63.6 -42.7 -0.6 35.3 -3.5 223 219 A E H > S+ 0 0 27 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.864 113.8 46.7 -69.7 -40.3 -1.5 38.9 -2.5 224 220 A V H X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.923 113.0 50.3 -68.0 -44.9 0.8 38.9 0.6 225 221 A I H X S+ 0 0 9 -4,-2.7 4,-2.9 -5,-0.3 5,-0.2 0.927 107.8 54.2 -55.5 -44.6 3.6 37.5 -1.5 226 222 A H H X S+ 0 0 52 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.932 108.8 48.6 -57.3 -47.2 3.0 40.2 -4.1 227 223 A L H X S+ 0 0 7 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.930 111.4 49.1 -55.1 -48.1 3.4 42.8 -1.3 228 224 A C H X S+ 0 0 7 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.924 111.1 49.8 -63.8 -41.0 6.6 41.3 -0.1 229 225 A K H X S+ 0 0 130 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.905 111.5 48.1 -62.8 -44.5 8.0 41.2 -3.6 230 226 A L H X S+ 0 0 25 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.941 113.8 48.6 -56.8 -44.9 7.1 44.8 -4.2 231 227 A S H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.887 109.4 51.4 -62.7 -41.9 8.7 45.7 -0.8 232 228 A Q H < S+ 0 0 107 -4,-2.8 4,-0.4 2,-0.2 -1,-0.2 0.894 112.5 46.0 -62.3 -41.8 11.9 43.7 -1.6 233 229 A A H ><>S+ 0 0 30 -4,-2.0 5,-1.6 1,-0.2 3,-1.4 0.911 111.1 52.9 -68.6 -42.7 12.2 45.6 -4.9 234 230 A A H ><5S+ 0 0 3 -4,-2.9 3,-1.7 1,-0.3 -2,-0.2 0.838 100.7 61.5 -55.5 -36.5 11.5 48.9 -3.1 235 231 A A T 3<5S+ 0 0 52 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.623 99.7 56.3 -70.9 -11.9 14.3 48.0 -0.7 236 232 A K T < 5S- 0 0 167 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.368 130.8 -93.4 -96.6 4.0 16.7 48.0 -3.7 237 233 A G T < 5S+ 0 0 62 -3,-1.7 2,-0.8 1,-0.2 -3,-0.2 0.566 70.9 154.3 98.0 11.6 15.7 51.6 -4.6 238 234 A D >< - 0 0 76 -5,-1.6 4,-1.9 1,-0.2 -1,-0.2 -0.612 25.8-165.3 -74.4 107.5 12.9 50.8 -7.1 239 235 A A H > S+ 0 0 81 -2,-0.8 4,-1.9 1,-0.2 5,-0.2 0.904 85.0 48.9 -63.4 -42.9 10.6 53.9 -7.0 240 236 A D H > S+ 0 0 114 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 110.6 51.0 -65.9 -42.1 7.7 52.4 -8.8 241 237 A A H > S+ 0 0 4 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.875 107.6 54.0 -62.3 -38.7 7.7 49.3 -6.6 242 238 A R H X S+ 0 0 117 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.913 109.9 46.6 -60.3 -45.9 7.8 51.5 -3.4 243 239 A A H X S+ 0 0 57 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.894 115.0 46.5 -65.6 -40.7 4.6 53.4 -4.6 244 240 A R H X S+ 0 0 76 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.899 109.5 54.0 -70.5 -38.9 2.8 50.2 -5.5 245 241 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.915 106.8 52.7 -61.3 -42.1 3.8 48.5 -2.2 246 242 A L H X S+ 0 0 88 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.861 110.5 46.9 -62.7 -35.4 2.3 51.4 -0.2 247 243 A E H X S+ 0 0 108 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.928 113.9 46.4 -73.1 -45.7 -1.0 51.2 -2.0 248 244 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.926 113.0 50.3 -62.3 -44.8 -1.3 47.4 -1.6 249 245 A E H < S+ 0 0 45 -4,-2.8 4,-0.5 -5,-0.2 -1,-0.2 0.925 110.5 49.7 -56.7 -47.9 -0.3 47.7 2.0 250 246 A Q H >< S+ 0 0 148 -4,-2.0 3,-1.1 1,-0.2 4,-0.4 0.926 111.8 48.5 -55.8 -47.9 -3.0 50.4 2.6 251 247 A A H 3< S+ 0 0 22 -4,-2.6 4,-0.3 1,-0.2 3,-0.3 0.874 115.3 44.9 -59.5 -37.6 -5.6 48.2 0.9 252 248 A L T 3X S+ 0 0 3 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.454 88.5 97.0 -83.4 -1.0 -4.6 45.2 3.0 253 249 A A H <> S+ 0 0 44 -3,-1.1 4,-1.8 -4,-0.5 -1,-0.2 0.888 79.6 47.1 -66.2 -46.3 -4.4 47.2 6.2 254 250 A V H > S+ 0 0 44 -4,-0.4 4,-0.5 -3,-0.3 3,-0.3 0.964 117.1 43.2 -55.9 -54.0 -7.8 46.5 7.8 255 251 A L H >4 S+ 0 0 2 -4,-0.3 3,-1.1 1,-0.2 4,-0.3 0.901 115.0 50.4 -63.9 -39.0 -7.6 42.7 7.1 256 252 A S H >< S+ 0 0 7 -4,-2.6 3,-1.9 1,-0.2 -59,-0.3 0.830 96.9 70.3 -66.4 -28.2 -4.0 42.6 8.3 257 253 A S H >< S+ 0 0 43 -4,-1.8 3,-1.6 -3,-0.3 4,-0.5 0.670 79.0 76.2 -68.6 -13.4 -4.9 44.5 11.5 258 254 A F G X< S+ 0 0 16 -3,-1.1 3,-0.8 -4,-0.5 -1,-0.3 0.805 85.5 66.0 -64.9 -24.0 -6.7 41.5 12.8 259 255 A D G < S+ 0 0 15 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.659 94.2 58.8 -63.8 -19.5 -3.3 40.1 13.5 260 256 A E G < S+ 0 0 105 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.655 100.1 65.8 -90.1 -20.1 -2.7 42.8 16.1 261 257 A G S X S- 0 0 30 -3,-0.8 3,-1.0 -4,-0.5 -3,-0.0 -0.422 91.3-100.5-106.6 178.8 -5.6 41.9 18.4 262 258 A P T 3 S+ 0 0 126 0, 0.0 3,-0.3 0, 0.0 4,-0.1 0.658 113.3 58.6 -72.1 -20.1 -6.8 39.1 20.7 263 259 A D T 3> + 0 0 55 1,-0.2 4,-3.1 -5,-0.1 3,-0.4 0.132 64.8 121.0 -97.1 19.8 -9.3 37.6 18.0 264 260 A L H <> S+ 0 0 22 -3,-1.0 4,-2.8 1,-0.3 5,-0.3 0.850 75.8 48.5 -57.0 -39.2 -6.7 36.9 15.3 265 261 A V H > S+ 0 0 9 -3,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.883 113.6 47.5 -68.9 -34.3 -7.5 33.2 15.2 266 262 A L H > S+ 0 0 21 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.938 116.2 43.9 -70.1 -45.9 -11.3 33.8 15.0 267 263 A Y H X S+ 0 0 28 -4,-3.1 4,-1.7 2,-0.2 -2,-0.2 0.934 117.1 44.0 -64.3 -48.9 -10.9 36.4 12.3 268 264 A F H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.3 -2,-0.2 0.893 112.3 52.2 -70.9 -36.2 -8.4 34.4 10.2 269 265 A K H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.915 109.2 50.7 -58.0 -42.6 -10.2 31.1 10.5 270 266 A Y H X S+ 0 0 45 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.850 108.2 51.9 -69.0 -36.5 -13.5 32.8 9.3 271 267 A X H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.882 106.5 53.5 -62.2 -40.7 -11.7 34.3 6.3 272 268 A X H <>S+ 0 0 1 -4,-2.0 5,-2.7 2,-0.2 -2,-0.2 0.894 109.5 50.0 -58.1 -38.5 -10.4 30.7 5.5 273 269 A V H ><5S+ 0 0 18 -4,-1.7 3,-1.7 7,-0.2 -2,-0.2 0.926 108.3 50.8 -64.8 -49.2 -14.1 29.7 5.6 274 270 A L H 3<5S+ 0 0 52 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.788 104.6 58.1 -57.8 -33.7 -15.1 32.6 3.3 275 271 A K T 3<5S- 0 0 104 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.502 129.7-100.7 -72.2 -5.9 -12.4 31.4 0.9 276 272 A G T < 5S+ 0 0 38 -3,-1.7 2,-1.2 1,-0.2 -3,-0.2 0.460 83.8 130.0 103.7 1.7 -14.2 28.1 0.9 277 273 A D > < - 0 0 39 -5,-2.7 3,-1.4 -6,-0.2 -1,-0.2 -0.720 30.0-179.9 -93.4 92.9 -12.1 26.1 3.3 278 274 A K G > + 0 0 126 -2,-1.2 3,-1.4 1,-0.3 4,-0.2 0.548 66.8 82.7 -78.1 -4.2 -14.7 24.7 5.6 279 275 A E G 3 S+ 0 0 46 1,-0.3 -258,-0.7 2,-0.1 -1,-0.3 0.521 87.6 61.5 -67.3 -5.7 -12.1 22.8 7.8 280 276 A Y G < S+ 0 0 5 -3,-1.4 -1,-0.3 -260,-0.2 -7,-0.2 0.159 75.3 98.9-108.0 16.2 -11.7 26.2 9.5 281 277 A T S < S+ 0 0 78 -3,-1.4 2,-0.2 -260,-0.2 -1,-0.1 0.896 74.7 54.0 -70.8 -44.8 -15.3 26.5 10.7 282 278 A L - 0 0 38 -261,-0.5 -261,-0.4 -4,-0.2 2,-0.3 -0.542 66.2-142.9-101.3 160.1 -14.9 25.4 14.3 283 279 A H - 0 0 17 2,-0.2 5,-0.1 5,-0.2 -2,-0.0 -0.846 26.2-118.0-115.7 154.3 -12.7 26.4 17.3 284 280 A F S S+ 0 0 22 -2,-0.3 2,-0.6 2,-0.1 -1,-0.1 0.879 107.6 59.9 -59.8 -39.9 -11.1 24.3 20.0 285 281 A N S > S- 0 0 71 1,-0.1 3,-1.4 -3,-0.0 -2,-0.2 -0.818 84.7-144.1 -85.1 125.6 -13.2 26.1 22.6 286 282 A E T 3 S+ 0 0 150 -2,-0.6 -1,-0.1 1,-0.3 -3,-0.1 0.794 97.5 49.9 -58.5 -29.6 -16.8 25.4 21.8 287 283 A T T 3 S+ 0 0 128 -3,-0.0 2,-0.6 2,-0.0 -1,-0.3 0.561 82.6 105.3 -92.8 -7.8 -17.8 28.9 22.9 288 284 A D < + 0 0 62 -3,-1.4 2,-0.3 -5,-0.1 -5,-0.2 -0.639 47.0 134.5 -76.1 117.9 -15.2 30.9 20.9 289 285 A A - 0 0 66 -2,-0.6 -23,-0.1 -7,-0.1 -7,-0.0 -0.954 57.5-105.2-161.1 140.8 -16.9 32.5 17.9 290 286 A L - 0 0 20 -2,-0.3 2,-0.1 -24,-0.2 0, 0.0 -0.395 45.1-118.3 -57.7 145.3 -17.1 35.8 16.1 291 287 A T > - 0 0 79 1,-0.1 4,-2.7 -2,-0.0 5,-0.2 -0.269 29.6 -96.0 -76.6 171.6 -20.3 37.6 16.8 292 288 A D H > S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.860 126.3 45.2 -57.2 -39.7 -22.9 38.5 14.1 293 289 A S H > S+ 0 0 95 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.898 111.0 52.4 -75.3 -41.3 -21.5 42.0 13.7 294 290 A Q H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.921 111.4 47.8 -58.5 -47.6 -17.9 40.8 13.6 295 291 A R H X S+ 0 0 84 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.933 111.3 50.2 -55.2 -49.6 -18.8 38.3 10.9 296 292 A G H X S+ 0 0 32 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.911 111.3 50.5 -57.0 -41.2 -20.6 41.0 8.9 297 293 A Y H X S+ 0 0 105 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.911 111.5 44.4 -68.5 -45.4 -17.6 43.2 9.2 298 294 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.919 111.6 55.5 -63.4 -40.3 -15.0 40.6 8.0 299 295 A E H X S+ 0 0 75 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.922 111.2 43.7 -57.9 -47.4 -17.4 39.7 5.2 300 296 A A H X S+ 0 0 56 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.918 116.2 46.5 -66.8 -43.9 -17.6 43.3 4.0 301 297 A Q H X S+ 0 0 43 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.815 112.6 49.3 -67.1 -35.8 -13.8 43.9 4.3 302 298 A F H X S+ 0 0 25 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.931 113.3 47.4 -65.8 -48.5 -12.9 40.7 2.6 303 299 A K H X S+ 0 0 150 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.928 112.9 49.5 -56.8 -46.1 -15.3 41.5 -0.3 304 300 A L H X S+ 0 0 96 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.922 111.3 49.0 -64.2 -43.0 -13.9 45.0 -0.5 305 301 A F H X S+ 0 0 4 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.942 111.9 46.4 -64.7 -47.7 -10.3 43.8 -0.6 306 302 A N H X S+ 0 0 53 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.905 114.2 49.1 -61.2 -36.2 -10.8 41.2 -3.3 307 303 A S H X S+ 0 0 71 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.956 112.8 47.6 -67.3 -47.4 -12.8 43.7 -5.4 308 304 A W H X S+ 0 0 69 -4,-2.8 4,-3.3 1,-0.2 5,-0.2 0.895 112.5 48.4 -54.4 -46.7 -10.1 46.3 -5.0 309 305 A Y H X S+ 0 0 39 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.897 107.4 54.2 -68.7 -43.2 -7.2 43.9 -5.8 310 306 A A H X S+ 0 0 67 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.908 116.7 40.4 -52.7 -42.5 -9.0 42.6 -9.0 311 307 A D H < S+ 0 0 129 -4,-1.7 3,-0.5 -5,-0.2 -2,-0.2 0.943 119.0 44.0 -72.5 -52.4 -9.3 46.2 -10.1 312 308 A W H < S+ 0 0 30 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.811 105.2 60.2 -64.2 -36.7 -5.8 47.4 -9.0 313 309 A S H < 0 0 48 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.700 360.0 360.0 -79.1 -19.4 -3.8 44.5 -10.2 314 310 A K < 0 0 222 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.1 -0.503 360.0 360.0-168.9 360.0 -4.9 45.1 -13.8