==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-JUN-13 4LC3 . COMPND 2 MOLECULE: PUTATIVE UDP-4-AMINO-4-DEOXY-L-ARABINOSE--OXOGLUT . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA CENOCEPACIA; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 756 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 510 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 39 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 238 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.2 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 2 2 2 0 1 5 6 2 0 4 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 4 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 PARALLEL BRIDGES PER LADDER . 10 2 0 8 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 4 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 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 6 A A 0 0 121 0, 0.0 3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 144.4 59.9 40.1 22.9 2 7 A P - 0 0 108 0, 0.0 2,-0.0 0, 0.0 0, 0.0 -0.382 360.0 -87.7 -71.3 155.8 60.5 40.5 19.2 3 8 A F - 0 0 104 1,-0.1 310,-0.2 310,-0.1 309,-0.1 -0.374 38.0-144.5 -57.8 135.5 60.1 37.4 16.9 4 9 A L B -a 313 0A 7 308,-2.9 310,-3.3 -3,-0.1 -1,-0.1 -0.909 14.2-157.3-107.2 102.8 63.4 35.5 16.7 5 10 A P - 0 0 22 0, 0.0 3,-0.1 0, 0.0 348,-0.0 -0.295 26.5-116.3 -70.8 167.4 63.9 34.1 13.1 6 11 A F S S+ 0 0 48 1,-0.2 347,-2.3 346,-0.2 2,-0.3 0.712 95.6 13.4 -80.3 -17.9 66.2 31.1 12.6 7 12 A T + 0 0 26 345,-0.2 -1,-0.2 308,-0.1 347,-0.1 -0.988 58.3 172.7-149.2 159.9 68.5 33.2 10.4 8 13 A R - 0 0 106 -2,-0.3 347,-0.3 345,-0.1 348,-0.3 -0.915 31.1-119.4-161.3 133.4 69.1 36.8 9.5 9 14 A P - 0 0 21 0, 0.0 2,-0.5 0, 0.0 172,-0.1 -0.325 14.1-139.6 -73.9 165.1 71.9 38.3 7.4 10 15 A E + 0 0 52 345,-0.0 2,-0.5 -2,-0.0 175,-0.1 -0.905 28.7 170.0-125.6 99.5 74.4 40.9 8.8 11 16 A I - 0 0 27 -2,-0.5 230,-0.1 391,-0.2 226,-0.0 -0.960 21.1-145.1-119.7 115.9 75.1 43.5 6.1 12 17 A D > - 0 0 37 -2,-0.5 4,-2.1 228,-0.1 3,-0.2 -0.199 24.7-109.0 -79.2 168.3 77.0 46.6 7.2 13 18 A E H > S+ 0 0 94 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.854 117.1 60.1 -67.8 -29.5 76.6 50.2 6.0 14 19 A E H > S+ 0 0 128 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.900 108.1 45.2 -63.2 -40.2 79.9 50.1 4.1 15 20 A T H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.924 111.6 51.6 -71.9 -41.3 78.5 47.2 2.0 16 21 A I H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.932 109.6 50.1 -59.5 -45.7 75.2 49.0 1.5 17 22 A Q H X S+ 0 0 87 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.890 107.3 55.8 -59.2 -38.7 77.1 52.1 0.3 18 23 A G H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.910 107.0 48.5 -59.0 -43.5 79.0 49.9 -2.1 19 24 A V H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.906 109.0 53.1 -63.1 -43.3 75.8 48.7 -3.6 20 25 A V H X S+ 0 0 8 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.926 108.6 51.1 -55.1 -46.3 74.6 52.3 -4.0 21 26 A E H X S+ 0 0 108 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.922 109.3 50.0 -60.0 -44.7 77.8 53.1 -5.8 22 27 A V H X>S+ 0 0 5 -4,-2.2 4,-0.8 2,-0.2 5,-0.5 0.949 112.0 47.2 -59.3 -47.8 77.4 50.2 -8.2 23 28 A L H ><5S+ 0 0 6 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.929 113.0 48.2 -63.2 -42.6 73.8 51.2 -9.0 24 29 A R H 3<5S+ 0 0 136 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.742 104.0 63.4 -67.4 -22.7 74.7 54.9 -9.6 25 30 A S H 3<5S- 0 0 61 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.776 98.7-134.9 -71.7 -26.8 77.6 53.7 -11.8 26 31 A G T <<5S+ 0 0 22 -3,-0.9 2,-1.0 -4,-0.8 3,-0.2 0.310 78.6 108.0 80.9 -7.0 75.3 52.2 -14.4 27 32 A W < + 0 0 184 -5,-0.5 -1,-0.1 1,-0.2 -2,-0.1 -0.796 38.4 145.9 -99.3 85.7 77.5 49.1 -14.5 28 33 A I + 0 0 2 -2,-1.0 205,-1.4 204,-0.1 204,-1.1 0.751 46.8 54.0-106.6 -28.7 75.1 46.8 -12.7 29 34 A T S S- 0 0 23 202,-0.3 5,-0.2 1,-0.2 202,-0.2 -0.166 111.5 -22.6 -95.6-164.5 75.5 43.3 -14.1 30 35 A T S S+ 0 0 60 1,-0.1 -1,-0.2 201,-0.1 201,-0.1 -0.086 93.3 103.2 -49.7 123.9 78.7 41.2 -14.5 31 36 A G S > S- 0 0 26 -3,-0.1 4,-1.9 -4,-0.1 3,-0.2 -0.645 80.5 -19.2-166.9-141.5 81.7 43.5 -14.6 32 37 A P H > S+ 0 0 67 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.810 126.1 56.1 -62.7 -30.3 84.6 44.8 -12.4 33 38 A Q H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.921 108.0 48.5 -68.5 -42.3 83.0 43.8 -9.1 34 39 A C H > S+ 0 0 3 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.902 111.0 51.4 -60.9 -42.3 82.6 40.2 -10.2 35 40 A Q H X S+ 0 0 142 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.932 112.0 46.3 -57.2 -46.7 86.3 40.2 -11.4 36 41 A K H X S+ 0 0 126 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.876 113.3 49.6 -64.6 -38.0 87.4 41.5 -8.0 37 42 A F H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.931 109.9 49.9 -70.6 -44.2 85.2 38.9 -6.1 38 43 A E H X S+ 0 0 30 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.921 111.6 50.0 -57.5 -43.1 86.6 36.0 -8.2 39 44 A A H X S+ 0 0 60 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.906 111.3 48.0 -63.0 -42.1 90.1 37.3 -7.5 40 45 A A H X S+ 0 0 37 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.913 113.5 46.9 -65.2 -41.5 89.4 37.5 -3.7 41 46 A L H X S+ 0 0 2 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.877 110.4 53.6 -69.7 -38.3 87.9 34.0 -3.6 42 47 A S H <>S+ 0 0 25 -4,-2.6 5,-2.7 -5,-0.2 6,-0.7 0.948 110.1 46.5 -61.8 -46.0 90.8 32.6 -5.7 43 48 A E H ><5S+ 0 0 140 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.925 109.3 54.8 -64.1 -38.8 93.3 34.0 -3.2 44 49 A Y H 3<5S+ 0 0 28 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.878 108.6 50.7 -54.4 -40.5 91.2 32.6 -0.3 45 50 A C T 3<5S- 0 0 2 -4,-1.9 3,-0.4 3,-0.2 -1,-0.3 0.175 129.5 -95.6 -85.6 17.5 91.5 29.2 -2.0 46 51 A G T < 5S- 0 0 63 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.786 79.9 -51.0 72.7 30.0 95.3 29.4 -2.4 47 52 A G S > S+ 0 0 18 2,-0.1 4,-1.7 3,-0.1 3,-0.6 0.775 96.2 48.8 -99.0 -50.5 73.1 25.0 -7.6 58 63 A C H 3> S+ 0 0 5 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.807 104.5 63.5 -60.1 -30.7 74.3 25.7 -11.1 59 64 A T H 3> S+ 0 0 0 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.876 102.2 49.5 -59.7 -40.7 77.9 25.3 -9.8 60 65 A L H <> S+ 0 0 0 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.943 112.8 46.1 -61.1 -48.9 77.1 21.7 -8.9 61 66 A E H X S+ 0 0 18 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.917 113.5 48.1 -63.0 -46.2 75.7 20.9 -12.3 62 67 A I H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.891 107.9 56.1 -64.7 -39.7 78.5 22.6 -14.1 63 68 A G H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.918 108.2 48.8 -52.3 -49.8 81.0 20.7 -11.9 64 69 A L H <>S+ 0 0 0 -4,-2.1 5,-2.4 2,-0.2 -2,-0.2 0.923 110.6 50.0 -57.4 -43.8 79.4 17.5 -13.0 65 70 A R H ><5S+ 0 0 60 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.900 108.3 52.0 -64.2 -40.5 79.6 18.5 -16.7 66 71 A I H 3<5S+ 0 0 20 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.889 107.1 54.7 -59.8 -36.9 83.3 19.4 -16.3 67 72 A A T 3<5S- 0 0 13 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.389 121.4-111.1 -76.9 0.5 83.8 15.9 -14.9 68 73 A G T < 5 + 0 0 43 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.683 58.7 163.6 79.8 19.3 82.1 14.4 -18.0 69 74 A V < + 0 0 6 -5,-2.4 -1,-0.2 -6,-0.1 25,-0.1 -0.574 13.6 117.8 -78.1 132.0 79.0 13.2 -16.3 70 75 A G > - 0 0 12 -2,-0.3 3,-2.2 23,-0.1 25,-0.3 -0.825 58.5 -5.7-164.8-160.7 76.0 12.4 -18.5 71 76 A P T 3 S+ 0 0 109 0, 0.0 23,-0.2 0, 0.0 -1,-0.1 -0.168 124.4 18.1 -50.7 134.0 73.7 9.6 -19.6 72 77 A G T 3 S+ 0 0 54 21,-0.6 2,-0.2 1,-0.3 22,-0.1 0.188 99.8 112.0 89.8 -15.9 74.6 6.2 -18.2 73 78 A D < - 0 0 27 -3,-2.2 22,-2.8 48,-0.0 2,-0.4 -0.588 57.1-141.3 -88.5 151.8 76.8 7.5 -15.5 74 79 A E E -fg 95 121C 24 46,-2.1 48,-2.7 -2,-0.2 49,-1.2 -0.897 10.7-166.4-108.9 144.3 76.0 7.3 -11.8 75 80 A V E -fg 96 123C 0 20,-2.0 22,-2.5 -2,-0.4 2,-0.4 -0.998 14.7-141.8-129.1 127.8 76.8 10.0 -9.2 76 81 A I E +fg 97 124C 0 47,-1.7 49,-3.2 -2,-0.4 2,-0.2 -0.745 33.6 145.7 -94.3 132.8 76.6 9.2 -5.5 77 82 A T E -f 98 0C 0 20,-2.6 22,-1.9 -2,-0.4 9,-0.0 -0.809 44.8 -87.0-146.4-172.2 75.2 11.7 -3.0 78 83 A T - 0 0 1 47,-0.5 22,-0.1 -2,-0.2 8,-0.1 -0.825 15.1-145.1-103.4 142.4 73.2 11.9 0.3 79 84 A P S S+ 0 0 0 0, 0.0 243,-2.3 0, 0.0 2,-1.4 0.617 89.5 81.3 -77.5 -14.0 69.4 12.0 0.7 80 85 A A S S+ 0 0 1 241,-0.2 2,-0.3 242,-0.1 241,-0.1 -0.624 81.6 79.1 -93.3 75.4 69.8 14.4 3.7 81 86 A S S S- 0 0 2 -2,-1.4 238,-0.1 239,-0.4 241,-0.1 -0.969 93.9 -65.7-164.2 166.5 70.2 17.5 1.6 82 87 A W > - 0 0 48 -2,-0.3 3,-2.0 1,-0.1 4,-0.3 -0.392 55.5-114.2 -59.9 142.0 68.4 20.2 -0.3 83 88 A V T >> S+ 0 0 2 1,-0.3 4,-2.6 2,-0.2 3,-0.9 0.719 108.4 74.6 -60.4 -22.0 66.9 18.5 -3.4 84 89 A S H 3> S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.846 82.6 71.4 -60.4 -25.2 69.1 20.4 -5.9 85 90 A T H <4 S+ 0 0 2 -3,-2.0 -1,-0.2 1,-0.2 4,-0.2 0.875 113.6 23.9 -59.8 -41.2 72.0 18.2 -4.8 86 91 A S H X> S+ 0 0 0 -3,-0.9 4,-1.8 -4,-0.3 3,-0.6 0.752 115.3 65.7 -93.6 -29.5 70.4 15.2 -6.7 87 92 A N H 3X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.889 96.9 57.5 -61.1 -34.6 68.3 17.2 -9.2 88 93 A V H 3X S+ 0 0 3 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.818 102.6 54.9 -65.1 -30.0 71.5 18.5 -10.8 89 94 A I H X4>S+ 0 0 0 -3,-0.6 5,-1.2 -4,-0.2 3,-0.8 0.955 109.0 47.3 -65.8 -49.2 72.5 14.9 -11.4 90 95 A I H ><5S+ 0 0 26 -4,-1.8 3,-1.8 1,-0.2 -2,-0.2 0.899 104.2 61.8 -55.4 -42.1 69.2 14.2 -13.2 91 96 A E H 3<5S+ 0 0 42 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.812 101.8 52.2 -55.4 -34.9 69.7 17.4 -15.2 92 97 A T T <<5S- 0 0 10 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.587 119.4-109.7 -75.7 -13.6 72.9 16.0 -16.8 93 98 A G T < 5S+ 0 0 39 -3,-1.8 -21,-0.6 -4,-0.5 -3,-0.2 0.273 80.3 124.9 97.0 -9.6 71.2 12.8 -17.8 94 99 A A < - 0 0 3 -5,-1.2 -1,-0.3 -23,-0.2 -20,-0.2 -0.217 64.8-106.3 -77.5 173.6 73.0 10.8 -15.2 95 100 A T E -f 74 0C 56 -22,-2.8 -20,-2.0 -25,-0.3 2,-0.3 -0.893 25.0-132.7-107.2 119.4 71.5 8.6 -12.5 96 101 A P E -f 75 0C 3 0, 0.0 2,-0.4 0, 0.0 -20,-0.2 -0.557 21.5-169.3 -71.8 136.0 71.5 9.7 -8.9 97 102 A V E -f 76 0C 27 -22,-2.5 -20,-2.6 -2,-0.3 2,-0.3 -0.978 9.2-148.1-122.3 131.1 72.6 7.1 -6.4 98 103 A F E -f 77 0C 9 -2,-0.4 2,-0.4 -22,-0.2 -20,-0.2 -0.797 10.9-168.2-102.4 151.4 72.1 7.6 -2.7 99 104 A A - 0 0 3 -22,-1.9 14,-0.1 -2,-0.3 239,-0.1 -0.983 31.3-107.9-130.0 144.2 74.2 6.5 0.3 100 105 A D - 0 0 9 -2,-0.4 9,-2.7 237,-0.2 2,-0.2 -0.124 32.1-113.4 -71.1 162.0 72.9 6.7 3.9 101 106 A I B -I 108 0D 0 7,-0.3 7,-0.3 237,-0.1 239,-0.1 -0.529 21.2-109.4 -88.6 160.9 74.1 9.1 6.5 102 107 A D > - 0 0 53 5,-2.9 4,-2.5 -2,-0.2 5,-0.2 -0.808 28.7-142.6 -78.3 120.9 76.0 8.7 9.7 103 108 A P T 4 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.788 95.3 53.4 -65.5 -19.9 73.4 9.4 12.4 104 109 A V T 4 S+ 0 0 93 1,-0.1 173,-0.3 3,-0.1 -3,-0.0 0.956 123.3 23.4 -78.9 -49.4 76.0 11.2 14.6 105 110 A T T 4 S- 0 0 44 2,-0.2 -1,-0.1 171,-0.1 27,-0.1 0.689 92.8-138.3 -87.3 -21.3 77.4 13.7 12.1 106 111 A R < + 0 0 17 -4,-2.5 2,-0.2 1,-0.3 3,-0.1 0.457 66.4 117.0 69.5 5.8 74.3 13.7 9.8 107 112 A N S S- 0 0 3 -5,-0.2 -5,-2.9 1,-0.2 -1,-0.3 -0.620 81.7 -70.3 -93.7 161.3 76.7 13.6 6.8 108 113 A I B -I 101 0D 4 19,-0.4 2,-0.5 -7,-0.3 -7,-0.3 -0.150 51.8-119.6 -46.9 133.1 77.1 10.9 4.2 109 114 A D > - 0 0 36 -9,-2.7 4,-2.6 1,-0.1 5,-0.1 -0.728 16.4-147.7 -84.3 123.0 78.6 7.7 5.7 110 115 A L H > S+ 0 0 17 -2,-0.5 4,-2.2 1,-0.2 -1,-0.1 0.789 96.8 53.0 -71.3 -26.4 81.9 7.1 3.8 111 116 A D H > S+ 0 0 77 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.910 111.2 47.1 -68.1 -42.0 81.6 3.3 4.2 112 117 A K H > S+ 0 0 80 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.896 110.4 53.8 -66.6 -34.8 78.1 3.5 2.7 113 118 A L H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 4,-0.5 0.960 109.5 47.0 -60.8 -49.9 79.4 5.7 -0.0 114 119 A E H >< S+ 0 0 69 -4,-2.2 3,-1.4 1,-0.3 -2,-0.2 0.919 109.2 54.9 -59.5 -40.3 82.1 3.1 -0.9 115 120 A Q H 3< S+ 0 0 142 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.686 102.9 57.4 -66.6 -20.1 79.5 0.4 -0.9 116 121 A A T << S+ 0 0 19 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.493 80.3 112.1 -88.3 -6.8 77.4 2.3 -3.4 117 122 A I < + 0 0 33 -3,-1.4 -42,-0.0 -4,-0.5 -3,-0.0 -0.498 40.3 169.8 -71.5 138.1 80.2 2.5 -6.1 118 123 A T > - 0 0 41 -2,-0.2 3,-1.5 -44,-0.1 -44,-0.1 -0.793 54.3 -88.1-133.8 176.3 79.6 0.4 -9.2 119 124 A P T 3 S+ 0 0 129 0, 0.0 -2,-0.1 0, 0.0 -45,-0.0 0.665 126.9 56.8 -65.1 -12.2 81.4 0.3 -12.6 120 125 A R T 3 S+ 0 0 131 -47,-0.1 -46,-2.1 2,-0.0 2,-0.1 0.555 77.1 113.6 -92.2 -13.9 79.1 3.1 -13.7 121 126 A T E < +g 74 0C 16 -3,-1.5 -46,-0.2 -48,-0.2 3,-0.1 -0.407 29.2 163.2 -63.1 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2,-0.2 -2,-0.2 0.931 110.2 47.0 -56.9 -46.8 56.5 21.2 18.0 305 310 A M H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.887 110.7 52.0 -64.6 -39.1 57.4 23.9 15.4 306 311 A A H X S+ 0 0 17 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.897 108.0 51.6 -61.7 -39.8 54.0 25.6 15.9 307 312 A Q H X S+ 0 0 29 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.854 108.5 51.2 -66.8 -35.3 54.7 25.6 19.7 308 313 A M H ><>S+ 0 0 1 -4,-1.9 5,-2.4 2,-0.2 3,-0.5 0.924 109.5 50.9 -64.3 -43.8 58.1 27.3 19.1 309 314 A K H ><5S+ 0 0 118 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.894 104.2 56.8 -62.4 -38.2 56.4 29.9 16.9 310 315 A E H 3<5S+ 0 0 156 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.811 106.2 51.5 -61.0 -30.0 53.8 30.6 19.6 311 316 A R T <<5S- 0 0 61 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.278 127.9-103.2 -88.1 8.2 56.8 31.4 21.8 312 317 A G T < 5S+ 0 0 15 -3,-2.1 -308,-2.9 1,-0.2 2,-0.5 0.726 80.6 128.0 80.4 24.7 58.1 33.8 19.1 313 318 A I B < -a 4 0A 1 -5,-2.4 2,-0.2 -310,-0.2 -1,-0.2 -0.952 48.5-144.0-121.9 124.4 60.8 31.5 17.8 314 319 A G - 0 0 10 -310,-3.3 2,-0.3 -2,-0.5 -9,-0.0 -0.567 21.6-179.8 -82.9 143.3 61.3 30.6 14.1 315 320 A T - 0 0 21 -2,-0.2 2,-0.2 36,-0.1 36,-0.2 -0.935 6.8-162.1-138.0 164.3 62.4 27.1 13.1 316 321 A G B -P 350 0I 8 34,-1.4 34,-2.7 -2,-0.3 2,-0.4 -0.777 19.9-118.6-136.6 178.5 63.2 25.3 9.9 317 322 A I - 0 0 9 -2,-0.2 2,-0.3 32,-0.2 32,-0.1 -0.966 18.1-165.3-129.9 115.8 63.6 21.8 8.4 318 323 A H - 0 0 27 -2,-0.4 31,-0.1 1,-0.3 -236,-0.1 -0.759 69.7 -11.1-137.8 82.6 67.0 20.8 6.9 319 324 A Y - 0 0 24 -2,-0.3 -1,-0.3 -238,-0.1 29,-0.1 0.667 42.1-163.7-153.4 157.5 66.0 18.4 5.4 320 325 A P - 0 0 16 0, 0.0 -239,-0.4 0, 0.0 2,-0.3 -0.331 63.6 -84.5 -61.6 152.1 63.4 15.8 4.7 321 326 A A > - 0 0 7 21,-0.2 3,-1.2 20,-0.1 4,-0.2 -0.477 35.0-145.6 -67.2 127.5 64.8 12.8 2.9 322 327 A I G > S+ 0 0 0 -243,-2.3 3,-2.0 -2,-0.3 6,-0.3 0.838 90.8 64.6 -61.2 -39.9 64.9 13.4 -0.9 323 328 A H G 3 S+ 0 0 0 1,-0.3 -1,-0.3 5,-0.1 10,-0.2 0.627 95.3 59.3 -71.3 -12.1 64.2 9.9 -2.0 324 329 A L G < S+ 0 0 44 -3,-1.2 -1,-0.3 -245,-0.1 -2,-0.2 0.456 80.3 109.8 -91.4 -1.6 60.7 9.9 -0.5 325 330 A F S X> S- 0 0 9 -3,-2.0 4,-2.8 -4,-0.2 3,-0.6 -0.422 85.0-110.0 -69.0 150.0 59.6 12.8 -2.6 326 331 A T H 3> S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 275,-0.2 0.879 117.6 53.0 -48.2 -48.1 57.1 12.0 -5.3 327 332 A L H 34 S+ 0 0 39 273,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.887 113.9 43.5 -59.6 -37.9 59.6 12.5 -8.2 328 333 A Y H X4>S+ 0 0 0 -3,-0.6 5,-1.6 -6,-0.3 3,-0.9 0.867 107.2 57.0 -79.4 -35.5 62.0 10.1 -6.5 329 334 A R H ><5S+ 0 0 96 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.927 104.0 56.4 -58.4 -37.7 59.5 7.5 -5.6 330 335 A A T 3<5S+ 0 0 91 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.735 101.0 57.2 -66.3 -22.7 58.6 7.4 -9.4 331 336 A R T < 5S- 0 0 112 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.525 133.3 -89.8 -81.8 -6.5 62.4 6.6 -10.0 332 337 A G T < 5S+ 0 0 51 -3,-1.8 2,-0.3 -4,-0.4 -3,-0.2 0.645 79.1 140.0 105.9 18.3 62.0 3.6 -7.8 333 338 A F < + 0 0 35 -5,-1.6 -1,-0.3 -10,-0.2 2,-0.3 -0.696 22.3 173.4 -93.4 149.6 62.8 4.7 -4.3 334 339 A K > - 0 0 41 -2,-0.3 3,-1.3 0, 0.0 4,-0.2 -0.951 38.3 -76.6-144.7 163.3 60.9 3.6 -1.2 335 340 A E T 3 S+ 0 0 113 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.271 111.2 39.3 -55.7 146.2 61.0 3.8 2.6 336 341 A G T 3 S+ 0 0 52 2,-0.1 -1,-0.2 3,-0.0 6,-0.0 0.177 86.4 98.8 94.6 -13.3 63.5 1.5 4.3 337 342 A M S < S+ 0 0 95 -3,-1.3 -237,-0.2 1,-0.3 -2,-0.1 0.849 98.1 18.7 -75.2 -33.7 66.2 2.1 1.7 338 343 A F S > S+ 0 0 27 -4,-0.2 4,-2.4 1,-0.1 -1,-0.3 -0.667 73.4 174.7-136.0 73.1 68.1 4.8 3.8 339 344 A P H > S+ 0 0 75 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.833 76.6 49.5 -60.9 -34.5 67.0 4.3 7.4 340 345 A H H > S+ 0 0 79 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.944 114.1 45.3 -69.7 -44.6 69.3 6.8 9.0 341 346 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.849 113.4 52.2 -63.8 -33.3 68.4 9.6 6.5 342 347 A E H X S+ 0 0 32 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.923 111.0 44.9 -71.1 -43.6 64.8 8.8 6.9 343 348 A R H X S+ 0 0 143 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.919 117.5 46.1 -64.5 -42.5 64.8 9.0 10.7 344 349 A Y H >X S+ 0 0 11 -4,-2.5 4,-2.3 1,-0.2 3,-0.9 0.933 110.8 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0.931 111.9 47.7 -68.9 -46.2 64.7 53.3 -6.5 395 21 B I H X S+ 0 0 4 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.923 111.5 51.4 -61.0 -44.5 68.3 53.2 -5.0 396 22 B Q H X S+ 0 0 123 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.860 107.5 54.5 -56.4 -40.6 66.8 54.3 -1.6 397 23 B G H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.901 106.9 49.3 -60.5 -45.6 64.3 51.4 -1.9 398 24 B V H X S+ 0 0 1 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.916 108.7 54.2 -61.8 -41.3 67.2 48.9 -2.5 399 25 B V H X S+ 0 0 18 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.938 108.9 48.5 -54.8 -47.0 68.9 50.4 0.6 400 26 B E H X S+ 0 0 104 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.896 109.9 51.4 -62.9 -44.0 65.7 49.8 2.6 401 27 B V H X S+ 0 0 8 -4,-2.3 4,-0.9 2,-0.2 5,-0.5 0.943 111.5 47.3 -57.4 -50.6 65.4 46.2 1.4 402 28 B L H >< S+ 0 0 5 -4,-2.7 3,-0.8 1,-0.2 -2,-0.2 0.915 112.1 49.7 -59.0 -43.4 69.1 45.5 2.3 403 29 B R H 3< S+ 0 0 151 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.808 104.1 61.3 -63.7 -29.6 68.6 47.0 5.8 404 30 B S H 3< S- 0 0 58 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.742 98.9-134.9 -69.4 -25.4 65.4 44.9 6.3 405 31 B G S << S+ 0 0 22 -4,-0.9 2,-1.1 -3,-0.8 3,-0.2 0.320 77.5 110.3 81.2 -9.6 67.3 41.6 6.0 406 32 B W + 0 0 184 -5,-0.5 -1,-0.2 1,-0.2 -2,-0.1 -0.786 37.3 145.4 -93.6 85.1 64.5 40.2 3.7 407 33 B I + 0 0 3 -2,-1.1 205,-1.5 204,-0.1 204,-1.2 0.746 47.1 53.1-105.3 -29.7 66.8 40.2 0.6 408 34 B T S S- 0 0 23 202,-0.3 5,-0.2 -3,-0.2 202,-0.2 -0.180 112.1 -22.3 -93.8-164.6 65.7 37.3 -1.5 409 35 B T S S+ 0 0 63 1,-0.1 -1,-0.2 201,-0.1 201,-0.1 -0.097 92.9 103.0 -51.1 124.1 62.3 36.3 -2.8 410 36 B G S > S- 0 0 26 -3,-0.1 4,-1.9 -4,-0.1 3,-0.3 -0.667 80.7 -19.2-166.9-142.4 59.6 38.0 -0.6 411 37 B P H > S+ 0 0 64 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.782 125.8 56.7 -62.8 -28.0 57.1 40.8 -0.4 412 38 B Q H > S+ 0 0 38 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.930 107.7 48.0 -69.9 -43.2 58.9 42.9 -3.2 413 39 B C H > S+ 0 0 4 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.898 111.0 52.3 -61.1 -39.5 58.6 40.1 -5.7 414 40 B Q H X S+ 0 0 143 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.947 111.9 45.0 -60.8 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55.7 55.5 -20.6 626 252 B R H > S+ 0 0 155 -4,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.929 111.6 50.4 -64.4 -43.5 58.3 58.2 -20.4 627 253 B F H X S+ 0 0 4 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.911 111.8 47.9 -59.1 -44.3 61.2 55.9 -21.3 628 254 B T H X S+ 0 0 7 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.929 112.0 49.6 -66.2 -42.3 59.3 54.6 -24.3 629 255 B A H X S+ 0 0 45 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.901 110.1 51.2 -60.8 -43.2 58.4 58.1 -25.5 630 256 B Q H X S+ 0 0 38 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.902 110.3 48.9 -60.3 -43.3 62.1 59.2 -25.1 631 257 B R H X S+ 0 0 7 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.888 109.8 51.6 -65.7 -40.0 63.2 56.2 -27.2 632 258 B R H X S+ 0 0 58 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.908 109.5 50.1 -60.6 -42.3 60.7 57.0 -29.9 633 259 B A H X S+ 0 0 62 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.895 111.0 49.1 -66.2 -38.1 61.9 60.6 -30.0 634 260 B L H X S+ 0 0 11 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.908 110.0 51.1 -66.6 -41.3 65.5 59.5 -30.4 635 261 B A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.943 109.6 50.6 -61.6 -45.5 64.6 57.0 -33.1 636 262 B R H X S+ 0 0 134 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.915 108.8 52.5 -54.2 -43.5 62.8 59.8 -35.0 637 263 B A H X S+ 0 0 30 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.864 105.8 54.0 -64.6 -36.6 65.9 62.0 -34.6 638 264 B Y H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.934 108.7 48.4 -60.1 -47.3 68.0 59.2 -36.1 639 265 B F H X S+ 0 0 38 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.925 113.3 47.1 -60.2 -45.2 65.8 59.0 -39.2 640 266 B A H < S+ 0 0 75 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.898 114.0 48.1 -64.1 -37.9 65.9 62.8 -39.7 641 267 B A H < S+ 0 0 34 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.889 113.7 45.6 -71.9 -38.1 69.7 62.8 -39.2 642 268 B F H >< S+ 0 0 0 -4,-2.7 3,-2.3 -5,-0.2 6,-0.4 0.788 83.4 118.6 -72.1 -31.3 70.4 60.0 -41.6 643 269 B D T 3< S- 0 0 142 -4,-1.8 -3,-0.0 1,-0.3 -4,-0.0 -0.139 90.2 -8.2 -50.1 114.6 68.1 61.3 -44.3 644 270 B G T 3 S+ 0 0 70 1,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.337 102.1 128.3 85.3 -1.7 70.1 62.1 -47.5 645 271 B G S <> S- 0 0 20 -3,-2.3 4,-2.4 -4,-0.1 -1,-0.2 -0.083 74.1 -92.6 -87.0-177.5 73.6 61.6 -46.1 646 272 B A H > S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.835 121.4 53.0 -64.2 -39.6 76.6 59.6 -47.2 647 273 B A H >>S+ 0 0 0 2,-0.2 5,-2.7 1,-0.2 4,-1.5 0.939 111.6 45.7 -62.3 -47.8 75.8 56.5 -45.1 648 274 B A H 45S+ 0 0 43 -6,-0.4 3,-0.2 3,-0.2 -2,-0.2 0.926 113.3 50.5 -60.6 -44.0 72.3 56.3 -46.6 649 275 B K H <5S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.887 108.7 51.6 -62.7 -38.9 73.6 56.8 -50.1 650 276 B L H <5S- 0 0 39 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.807 128.5 -95.7 -69.9 -27.7 76.2 54.1 -49.7 651 277 B G T <5 + 0 0 37 -4,-1.5 2,-0.3 -3,-0.2 -3,-0.2 0.611 60.0 164.1 120.9 19.8 73.5 51.7 -48.6 652 278 B V < - 0 0 11 -5,-2.7 2,-0.5 -6,-0.1 -1,-0.2 -0.564 35.7-136.2 -63.8 128.2 73.4 51.7 -44.7 653 279 B G B -E 670 0S 22 17,-2.2 17,-1.9 -2,-0.3 -1,-0.1 -0.811 16.8-155.1-100.6 126.2 70.1 50.0 -44.0 654 280 B L - 0 0 53 -2,-0.5 15,-0.1 15,-0.2 3,-0.1 -0.579 20.8-103.9 -99.0 157.2 67.8 51.5 -41.3 655 281 B P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 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