==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-JAN-13 4ITL . COMPND 2 MOLECULE: TETRAACYLDISACCHARIDE 4'-KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR R.P.EMPTAGE,C.W.PEMBLE IV,J.D.YORK,C.R.H.RAETZ,P.ZHOU . 308 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14704.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 7.5 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 . 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 . 26 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 0 0 0 0 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 3 1 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 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 1 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 8 A P 0 0 173 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 179.3 5.0 21.4 -13.1 2 9 A F > - 0 0 111 3,-0.0 3,-1.1 156,-0.0 2,-1.0 0.248 360.0-175.8-123.7 126.8 3.2 19.8 -15.0 3 10 A S T 3> + 0 0 12 1,-0.3 4,-1.4 2,-0.2 5,-0.1 -0.036 68.6 91.7 72.5 -58.3 2.2 16.6 -15.7 4 11 A Y H 3> S+ 0 0 170 -2,-1.0 4,-1.3 1,-0.2 -1,-0.3 0.864 92.8 51.1 -62.8 -35.7 0.1 17.1 -18.8 5 12 A L H X> S+ 0 0 86 -3,-1.1 4,-2.5 2,-0.2 3,-0.7 0.962 99.9 58.0 -68.4 -57.9 3.2 16.4 -20.8 6 13 A Y H 3> S+ 0 0 71 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.876 107.7 52.4 -38.6 -43.2 4.3 13.2 -19.1 7 14 A E H 3X S+ 0 0 73 -4,-1.4 4,-3.1 2,-0.2 -1,-0.3 0.905 106.5 50.7 -67.4 -40.8 0.9 11.8 -20.2 8 15 A K H S+ 0 0 44 -4,-2.3 5,-2.1 1,-0.2 6,-0.6 0.966 113.8 42.0 -59.2 -48.9 3.8 3.4 -31.0 17 24 A Y H ><5S+ 0 0 21 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.919 109.9 59.0 -62.5 -40.0 3.9 -0.0 -29.3 18 25 A D H 3<5S+ 0 0 70 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.826 110.9 41.0 -58.1 -34.1 0.2 -0.6 -30.0 19 26 A K T 3<5S- 0 0 138 -4,-1.7 -1,-0.3 -3,-0.5 -2,-0.2 0.218 115.5-102.7-106.7 14.0 0.7 -0.3 -33.8 20 27 A G T < 5S+ 0 0 63 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.777 84.3 122.7 78.2 25.8 4.0 -2.2 -34.4 21 28 A F < + 0 0 153 -5,-2.1 2,-0.4 -6,-0.2 -4,-0.2 0.673 66.9 52.6 -95.1 -20.8 6.2 0.9 -34.7 22 29 A L S S- 0 0 69 -6,-0.6 -2,-0.1 -9,-0.1 -1,-0.1 -0.943 96.8-102.2-112.9 143.4 8.6 -0.0 -32.0 23 30 A K - 0 0 155 -2,-0.4 2,-0.5 1,-0.0 -2,-0.1 -0.338 26.2-163.7 -67.7 136.5 10.4 -3.4 -31.8 24 31 A I - 0 0 76 -2,-0.1 115,-0.2 -4,-0.1 2,-0.2 -0.984 16.6-152.0-115.9 114.8 9.1 -6.0 -29.4 25 32 A K B -a 139 0A 28 113,-3.4 115,-3.2 -2,-0.5 2,-0.5 -0.514 4.3-142.4 -90.7 158.6 11.8 -8.7 -29.0 26 33 A K - 0 0 114 113,-0.2 115,-0.1 -2,-0.2 113,-0.1 -0.964 2.8-147.8-132.3 126.6 11.1 -12.3 -28.1 27 34 A L - 0 0 2 -2,-0.5 4,-0.1 113,-0.3 86,-0.0 -0.607 27.5-121.8 -82.1 148.0 12.8 -14.8 -25.9 28 35 A P S S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.221 92.7 57.1 -81.3 13.4 12.7 -18.5 -26.9 29 36 A V S S- 0 0 29 1,-0.0 -2,-0.2 99,-0.0 98,-0.1 -0.915 102.4 -77.7-130.2 166.9 11.1 -19.7 -23.7 30 37 A P - 0 0 22 0, 0.0 98,-2.4 0, 0.0 2,-0.4 -0.291 42.9-159.2 -64.4 149.3 7.8 -18.5 -22.1 31 38 A V E -b 128 0B 1 96,-0.2 111,-2.6 -4,-0.1 112,-1.3 -0.996 6.6-165.5-134.2 121.7 7.8 -15.2 -20.2 32 39 A I E -bc 129 143B 0 96,-2.8 98,-2.8 -2,-0.4 2,-0.5 -0.928 13.1-151.2 -99.9 133.0 5.3 -14.2 -17.6 33 40 A S E -bc 130 144B 0 110,-2.9 112,-2.6 -2,-0.5 2,-0.5 -0.870 11.2-172.2-105.8 135.9 5.1 -10.5 -16.7 34 41 A V E + c 0 145B 0 96,-2.1 99,-2.5 -2,-0.5 2,-0.3 -0.987 29.1 131.5-115.8 134.3 4.1 -9.2 -13.3 35 42 A G E - c 0 146B 0 110,-1.7 112,-3.0 -2,-0.5 2,-0.3 -0.939 35.6-139.5-162.5-174.6 3.7 -5.5 -13.0 36 43 A N E - c 0 147B 0 -2,-0.3 112,-0.1 110,-0.2 99,-0.1 -0.834 22.7-118.9-149.4-179.7 1.5 -2.7 -11.8 37 44 A L S S+ 0 0 0 110,-0.6 127,-3.6 -2,-0.3 128,-0.9 0.481 84.4 48.6-106.6 -6.8 0.3 0.8 -12.9 38 45 A S B S-J 163 0C 2 125,-0.3 3,-0.4 126,-0.2 125,-0.2 -0.878 72.2-117.0-138.0 161.4 1.6 3.0 -10.0 39 46 A V S S+ 0 0 55 123,-2.2 -2,-0.1 -2,-0.3 123,-0.0 -0.623 85.1 66.9 -87.9 158.3 4.7 3.8 -7.9 40 47 A G S S- 0 0 24 -2,-0.2 -1,-0.2 190,-0.0 188,-0.0 0.452 109.1 -72.2 109.4 -1.8 4.5 3.1 -4.2 41 48 A G - 0 0 25 -3,-0.4 -2,-0.1 188,-0.2 187,-0.0 0.496 37.4-166.8 94.7 133.5 4.3 -0.7 -4.2 42 49 A S - 0 0 1 -4,-0.0 -1,-0.1 106,-0.0 138,-0.1 0.159 58.3 -91.0-135.5 19.4 1.6 -3.1 -5.1 43 50 A G S > S+ 0 0 8 136,-0.1 4,-1.9 104,-0.1 5,-0.1 0.769 77.6 141.7 70.7 27.4 2.7 -6.5 -3.8 44 51 A K H > + 0 0 32 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.906 68.7 51.2 -64.8 -47.1 4.5 -7.4 -6.9 45 52 A T H > S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.928 111.4 48.9 -56.9 -46.0 7.4 -9.1 -5.2 46 53 A S H > S+ 0 0 9 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.876 111.4 48.5 -59.9 -41.4 5.0 -11.2 -3.1 47 54 A F H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.924 108.7 54.4 -68.6 -39.7 3.1 -12.2 -6.1 48 55 A V H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 -2,-0.2 0.930 108.6 48.9 -56.6 -45.6 6.3 -13.2 -8.0 49 56 A M H X S+ 0 0 30 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.899 110.8 50.5 -63.5 -38.5 7.2 -15.4 -5.1 50 57 A Y H X S+ 0 0 19 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.963 111.6 47.7 -61.8 -49.2 3.8 -17.0 -5.1 51 58 A L H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.934 107.4 55.9 -56.7 -46.6 4.1 -17.6 -8.9 52 59 A A H < S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.892 107.4 50.2 -57.9 -37.3 7.6 -19.1 -8.4 53 60 A D H >< S+ 0 0 71 -4,-2.0 3,-1.1 1,-0.2 -1,-0.3 0.870 107.6 52.8 -69.7 -33.0 6.1 -21.6 -6.0 54 61 A L H 3< S+ 0 0 27 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.851 111.0 49.0 -60.7 -35.1 3.3 -22.5 -8.4 55 62 A L T >< S+ 0 0 0 -4,-1.9 3,-2.8 1,-0.2 -1,-0.2 0.093 71.1 124.3 -98.3 19.2 6.0 -23.1 -11.0 56 63 A K T < + 0 0 140 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.697 65.9 64.5 -62.9 -23.2 8.3 -25.3 -8.8 57 64 A D T 3 S+ 0 0 106 -3,-0.4 -1,-0.3 -4,-0.1 2,-0.3 0.483 102.1 62.6 -76.7 -2.6 8.2 -28.2 -11.3 58 65 A K S < S- 0 0 51 -3,-2.8 2,-0.8 69,-0.0 -3,-0.0 -0.833 93.9-104.4-119.5 159.0 10.0 -25.9 -13.8 59 66 A R - 0 0 114 -2,-0.3 67,-2.4 65,-0.1 68,-1.3 -0.767 49.2-163.6 -80.4 114.5 13.4 -24.2 -13.9 60 67 A V E -d 127 0B 0 -2,-0.8 45,-2.8 43,-0.4 2,-0.4 -0.811 18.3-174.1-109.1 139.5 12.5 -20.6 -13.1 61 68 A C E -de 128 105B 0 66,-2.1 68,-2.2 -2,-0.4 2,-0.5 -0.997 14.8-147.2-131.2 131.3 14.5 -17.4 -13.5 62 69 A I E -de 129 106B 0 43,-2.7 45,-2.7 -2,-0.4 2,-0.6 -0.825 9.6-151.9 -96.5 129.6 13.3 -14.0 -12.4 63 70 A L E +de 130 107B 2 66,-2.7 68,-1.7 -2,-0.5 69,-0.5 -0.946 26.1 170.6-105.4 118.7 14.3 -11.0 -14.5 64 71 A S E - e 0 108B 3 43,-3.0 45,-2.8 -2,-0.6 66,-0.0 -0.811 43.4-137.6-128.9 151.6 14.6 -7.9 -12.5 65 72 A R - 0 0 59 -2,-0.3 4,-0.1 43,-0.2 -1,-0.1 0.792 38.2-141.1 -66.0 -35.9 15.9 -4.3 -12.9 66 73 A G > - 0 0 4 1,-0.1 3,-1.6 41,-0.1 44,-0.1 0.984 19.1-138.3 60.2 68.3 17.4 -4.4 -9.4 67 74 A Y T 3 S+ 0 0 119 1,-0.2 25,-0.4 24,-0.1 26,-0.3 -0.215 75.7 4.7 -61.6 135.3 16.6 -0.8 -8.4 68 75 A K T 3 S+ 0 0 132 1,-0.2 -1,-0.2 23,-0.1 23,-0.2 0.511 90.0 154.6 79.9 4.9 19.3 1.2 -6.5 69 76 A R < - 0 0 32 -3,-1.6 2,-0.9 21,-0.2 20,-0.2 -0.340 49.1-128.2 -68.6 144.2 21.9 -1.5 -6.9 70 77 A K S S+ 0 0 125 18,-2.6 2,-0.3 -2,-0.0 -1,-0.1 -0.597 80.8 76.4 -88.4 67.8 25.7 -0.8 -6.9 71 78 A S - 0 0 37 -2,-0.9 4,-0.1 1,-0.1 -2,-0.0 -0.910 59.9-153.4-158.0 178.5 26.5 -2.6 -10.1 72 79 A K + 0 0 198 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.804 58.5 58.6-118.9 -51.3 26.1 -1.8 -13.7 73 80 A G S S- 0 0 45 1,-0.2 2,-0.4 36,-0.1 37,-0.1 0.162 97.9 -61.0 -81.6-167.2 25.9 -4.6 -16.2 74 81 A T - 0 0 54 35,-0.1 2,-0.4 40,-0.0 35,-0.2 -0.702 67.2-167.6 -65.5 129.3 23.7 -7.5 -16.7 75 82 A L E -F 108 0B 37 33,-2.8 33,-3.2 -2,-0.4 2,-0.7 -0.983 28.8-139.7-136.5 131.5 24.2 -9.5 -13.5 76 83 A I E +F 107 0B 24 -2,-0.4 31,-0.2 31,-0.2 3,-0.1 -0.764 23.2 178.2 -83.0 114.8 23.3 -13.0 -12.2 77 84 A V E + 0 0 0 29,-2.3 7,-3.1 -2,-0.7 8,-0.8 0.871 67.4 5.8 -85.3 -41.6 22.2 -12.4 -8.7 78 85 A S E -FG 106 83B 0 28,-2.0 28,-2.1 5,-0.3 2,-0.6 -0.999 56.7-153.2-146.2 135.5 21.4 -16.0 -7.9 79 86 A E E > S- G 0 82B 65 3,-2.1 3,-2.7 -2,-0.3 26,-0.2 -0.937 84.1 -38.3-108.1 106.4 21.8 -19.3 -9.7 80 87 A Y T 3 S- 0 0 78 -2,-0.6 25,-0.2 1,-0.3 -1,-0.1 0.855 128.7 -37.4 52.0 41.3 19.2 -21.7 -8.5 81 88 A G T 3 S+ 0 0 23 23,-1.2 2,-1.0 1,-0.2 -1,-0.3 0.214 108.6 120.4 93.8 -9.7 19.6 -20.4 -4.9 82 89 A N E < -G 79 0B 88 -3,-2.7 -3,-2.1 21,-0.0 2,-0.3 -0.767 59.6-141.7 -86.2 104.0 23.3 -19.8 -4.9 83 90 A L E -G 78 0B 52 -2,-1.0 -5,-0.3 -5,-0.2 -6,-0.1 -0.533 19.0-174.4 -64.7 123.2 23.6 -16.1 -4.2 84 91 A K + 0 0 108 -7,-3.1 2,-0.3 -2,-0.3 -6,-0.2 0.587 62.1 30.7 -97.1 -13.2 26.5 -14.6 -6.3 85 92 A V S S- 0 0 20 -8,-0.8 2,-0.1 10,-0.0 -1,-0.0 -0.907 82.7 -93.9-141.4 167.5 26.4 -11.1 -4.9 86 93 A S > - 0 0 44 -2,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.371 43.0-108.4 -74.0 163.3 25.7 -9.0 -1.8 87 94 A W H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.883 120.2 56.7 -64.9 -36.1 22.3 -7.3 -1.4 88 95 A E H 4 S+ 0 0 71 1,-0.2 -18,-2.6 2,-0.2 -1,-0.2 0.883 110.0 45.0 -62.5 -39.1 23.8 -3.9 -2.2 89 96 A E H 4 S+ 0 0 80 -20,-0.2 -2,-0.2 -3,-0.2 -1,-0.2 0.870 120.0 40.5 -70.4 -37.0 25.1 -5.2 -5.5 90 97 A A H < S- 0 0 0 -4,-2.2 -21,-0.2 -21,-0.1 -2,-0.2 0.796 113.8-110.8 -78.0 -30.6 21.9 -7.0 -6.4 91 98 A G X - 0 0 2 -4,-2.5 4,-2.2 -5,-0.2 5,-0.3 0.088 34.6 -91.1 91.3 140.4 19.4 -4.3 -5.2 92 99 A D H > S+ 0 0 4 -25,-0.4 4,-2.4 1,-0.2 5,-0.2 0.897 122.3 49.1 -59.9 -39.5 17.3 -5.2 -2.1 93 100 A E H > S+ 0 0 43 -26,-0.3 4,-2.5 2,-0.2 5,-0.2 0.941 111.2 45.7 -73.5 -43.2 14.4 -6.7 -4.0 94 101 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.936 116.0 48.3 -60.1 -41.4 16.3 -9.0 -6.3 95 102 A Y H X S+ 0 0 30 -4,-2.2 4,-3.0 -8,-0.2 -2,-0.2 0.906 110.5 51.9 -61.1 -40.1 18.3 -10.2 -3.3 96 103 A L H X S+ 0 0 10 -4,-2.4 4,-2.2 -5,-0.3 5,-0.2 0.943 111.8 45.9 -65.6 -44.7 15.1 -10.6 -1.2 97 104 A M H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.945 113.5 48.7 -62.4 -45.7 13.6 -12.8 -3.9 98 105 A A H < S+ 0 0 1 -4,-2.6 3,-0.3 -5,-0.2 -2,-0.2 0.935 113.5 48.4 -59.0 -45.4 16.7 -14.8 -4.3 99 106 A K H < S+ 0 0 70 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.815 116.1 40.2 -67.5 -34.3 17.0 -15.3 -0.6 100 107 A L H < S+ 0 0 54 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.579 115.1 55.7 -91.8 -10.0 13.4 -16.4 -0.1 101 108 A L >< + 0 0 3 -4,-1.5 3,-2.0 -3,-0.3 -1,-0.2 -0.631 60.2 170.5-122.1 73.7 13.3 -18.5 -3.2 102 109 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.494 78.6 53.5 -65.7 -2.5 16.3 -21.0 -2.9 103 110 A H T 3 S+ 0 0 68 -22,-0.1 -43,-0.4 -3,-0.1 2,-0.2 0.464 98.6 77.8-106.3 -2.3 15.1 -23.0 -5.9 104 111 A V < - 0 0 0 -3,-2.0 -23,-1.2 -6,-0.2 2,-0.3 -0.694 70.0-130.4-112.7 149.1 14.9 -20.0 -8.4 105 112 A S E -e 61 0B 0 -45,-2.8 -43,-2.7 -2,-0.2 2,-0.4 -0.717 19.4-158.5 -93.5 155.7 17.5 -17.9 -10.4 106 113 A V E -eF 62 78B 0 -28,-2.1 -29,-2.3 -2,-0.3 -28,-2.0 -0.997 9.3-177.4-136.2 129.4 17.5 -14.2 -10.4 107 114 A V E -eF 63 76B 0 -45,-2.7 -43,-3.0 -2,-0.4 2,-0.5 -0.992 12.6-151.4-125.8 137.0 19.1 -11.9 -12.9 108 115 A A E +eF 64 75B 0 -33,-3.2 -33,-2.8 -2,-0.4 2,-0.3 -0.932 31.2 142.3-109.5 122.8 19.3 -8.1 -12.9 109 116 A S - 0 0 8 -45,-2.8 -35,-0.1 -2,-0.5 -36,-0.1 -0.973 48.9-139.9-149.0 146.2 19.4 -6.1 -16.1 110 117 A E S S+ 0 0 122 -2,-0.3 2,-0.9 1,-0.2 -1,-0.1 0.920 106.1 54.2 -64.0 -40.9 17.9 -2.8 -17.3 111 118 A D S > S- 0 0 36 1,-0.2 4,-1.8 -3,-0.1 -1,-0.2 -0.823 76.5-166.3 -97.6 105.0 17.3 -4.6 -20.6 112 119 A R H > S+ 0 0 4 -2,-0.9 4,-2.7 1,-0.2 -1,-0.2 0.847 85.6 57.7 -65.0 -38.5 15.3 -7.7 -19.7 113 120 A Y H > S+ 0 0 53 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.946 108.0 48.9 -55.2 -48.3 15.8 -9.4 -23.0 114 121 A K H > S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.867 110.2 50.8 -57.7 -42.6 19.6 -9.1 -22.5 115 122 A G H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.917 110.5 50.1 -60.9 -42.9 19.2 -10.6 -19.0 116 123 A G H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.889 108.3 51.3 -65.4 -41.3 17.1 -13.4 -20.4 117 124 A L H X S+ 0 0 79 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.899 111.3 48.7 -62.6 -41.1 19.7 -14.2 -23.1 118 125 A L H X S+ 0 0 40 -4,-2.0 4,-2.2 -5,-0.2 5,-0.3 0.917 112.2 48.4 -63.0 -46.0 22.5 -14.3 -20.5 119 126 A A H X>S+ 0 0 0 -4,-2.4 4,-3.6 1,-0.2 5,-1.1 0.906 108.9 53.3 -59.7 -42.5 20.3 -16.6 -18.3 120 127 A L H X5S+ 0 0 40 -4,-2.5 4,-0.5 3,-0.2 -1,-0.2 0.900 111.4 47.2 -61.1 -39.1 19.6 -18.9 -21.2 121 128 A E H <5S+ 0 0 135 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.935 128.5 21.6 -66.3 -47.0 23.3 -19.3 -21.9 122 129 A K H <5S+ 0 0 121 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.751 134.2 28.2 -98.1 -30.3 24.4 -19.9 -18.3 123 130 A L H <5S- 0 0 11 -4,-3.6 -3,-0.2 -5,-0.3 -2,-0.1 0.600 79.9-142.2-115.1 -15.6 21.3 -21.2 -16.4 124 131 A S << - 0 0 70 -5,-1.1 -4,-0.2 -4,-0.5 -65,-0.1 0.873 29.8-172.2 55.9 45.1 19.0 -23.0 -19.0 125 132 A P - 0 0 5 0, 0.0 -65,-0.2 0, 0.0 -1,-0.1 -0.357 26.6-152.3 -74.5 155.2 15.6 -21.8 -17.5 126 133 A E S S+ 0 0 63 -67,-2.4 2,-0.3 1,-0.3 -66,-0.2 0.546 81.1 19.3 -93.8 -13.1 12.2 -23.1 -18.7 127 134 A V E - d 0 60B 0 -68,-1.3 -66,-2.1 -98,-0.1 2,-0.4 -0.948 64.4-148.4-158.2 135.9 10.3 -19.9 -17.8 128 135 A F E -bd 31 61B 0 -98,-2.4 -96,-2.8 -2,-0.3 2,-0.5 -0.877 7.2-162.1-102.8 140.5 11.1 -16.3 -17.1 129 136 A I E -bd 32 62B 0 -68,-2.2 -66,-2.7 -2,-0.4 2,-0.5 -0.988 10.9-148.0-115.4 124.4 9.1 -14.1 -14.7 130 137 A L E -bd 33 63B 0 -98,-2.8 -96,-2.1 -2,-0.5 3,-0.5 -0.785 4.9-158.1 -88.3 131.4 9.5 -10.4 -15.0 131 138 A D S S+ 0 0 7 -68,-1.7 -1,-0.1 -2,-0.5 -83,-0.1 0.734 88.9 14.2 -90.0 -25.9 9.2 -8.8 -11.6 132 139 A D S S+ 0 0 15 -69,-0.5 -1,-0.3 -97,-0.1 -97,-0.3 -0.503 88.7 133.4-139.6 72.6 8.3 -5.4 -12.8 133 140 A G > + 0 0 0 -99,-2.5 3,-0.6 -3,-0.5 -98,-0.2 0.418 30.2 96.6-109.9 -2.7 7.4 -5.8 -16.4 134 141 A F T 3 S+ 0 0 0 1,-0.3 -1,-0.1 -100,-0.2 -99,-0.1 0.831 93.8 40.1 -69.7 -38.6 4.2 -4.1 -17.5 135 142 A Q T 3 S+ 0 0 26 -3,-0.2 2,-1.8 1,-0.2 -1,-0.3 0.544 93.9 90.3 -80.2 -15.2 5.8 -0.9 -18.9 136 143 A H X + 0 0 29 -3,-0.6 3,-1.6 1,-0.2 -1,-0.2 -0.457 49.4 159.9 -85.8 68.1 8.7 -2.9 -20.5 137 144 A R T 3 + 0 0 35 -2,-1.8 -1,-0.2 1,-0.3 4,-0.1 0.731 56.1 77.0 -65.7 -27.2 6.9 -3.4 -23.8 138 145 A K T 3 S+ 0 0 71 -3,-0.2 -113,-3.4 -114,-0.1 2,-0.6 0.616 86.4 71.0 -67.0 -13.5 10.0 -4.1 -25.8 139 146 A L B < S-a 25 0A 0 -3,-1.6 -113,-0.2 -115,-0.2 -1,-0.1 -0.932 87.2-129.7-104.9 117.7 10.0 -7.6 -24.3 140 147 A H - 0 0 63 -115,-3.2 2,-0.4 -2,-0.6 -113,-0.3 -0.371 24.2-164.8 -54.7 137.1 7.3 -10.0 -25.5 141 148 A R - 0 0 30 1,-0.1 -109,-0.2 -4,-0.1 3,-0.2 -0.990 19.7-154.0-125.2 145.0 5.4 -11.7 -22.7 142 149 A D S S+ 0 0 56 -111,-2.6 2,-0.4 -2,-0.4 -110,-0.2 0.701 91.9 27.3 -87.5 -21.9 3.1 -14.7 -23.1 143 150 A L E S-c 32 0B 6 -112,-1.3 -110,-2.9 2,-0.0 2,-0.8 -0.958 72.7-160.8-140.9 120.8 1.1 -13.8 -20.0 144 151 A N E -c 33 0B 9 -2,-0.4 30,-2.6 -112,-0.2 31,-1.6 -0.865 11.4-171.1-107.6 105.3 0.8 -10.2 -18.9 145 152 A I E -ch 34 175B 1 -112,-2.6 -110,-1.7 -2,-0.8 2,-0.5 -0.858 2.8-163.7-104.9 123.4 -0.3 -10.0 -15.3 146 153 A L E -ch 35 176B 0 29,-2.7 31,-2.5 -2,-0.6 2,-0.4 -0.923 5.8-152.0-108.9 127.2 -1.3 -6.6 -13.9 147 154 A L E -ch 36 177B 0 -112,-3.0 -110,-0.6 -2,-0.5 2,-0.4 -0.762 16.6-177.3 -94.4 134.2 -1.6 -5.9 -10.2 148 155 A L E - h 0 178B 0 29,-2.4 31,-2.3 -2,-0.4 2,-0.3 -0.994 9.6-161.2-131.4 143.6 -4.0 -3.2 -9.0 149 156 A K >> - 0 0 13 -2,-0.4 3,-1.2 29,-0.2 4,-0.6 -0.860 36.0-105.6-123.6 157.6 -4.7 -1.8 -5.6 150 157 A K G >4 S+ 0 0 100 29,-0.5 3,-1.3 34,-0.4 4,-0.3 0.839 116.8 60.0 -49.2 -43.9 -7.7 0.2 -4.5 151 158 A K G >> S+ 0 0 116 1,-0.3 3,-1.8 2,-0.2 4,-0.6 0.886 94.4 65.5 -54.1 -41.4 -5.9 3.4 -4.3 152 159 A D G X4 S+ 0 0 0 -3,-1.2 3,-1.1 1,-0.3 -1,-0.3 0.812 88.1 69.5 -49.1 -37.1 -5.0 3.2 -8.1 153 160 A L G << S+ 0 0 49 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.658 112.1 26.5 -65.0 -18.8 -8.6 3.5 -9.1 154 161 A K G <4 S+ 0 0 203 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.262 102.0 104.3-125.4 7.9 -8.9 7.2 -8.0 155 162 A D << - 0 0 32 -3,-1.1 2,-0.3 -4,-0.6 6,-0.1 -0.122 56.8-142.6 -81.6-179.4 -5.3 8.1 -8.5 156 163 A R - 0 0 142 10,-0.1 7,-2.5 1,-0.1 -2,-0.1 -0.902 29.6 -66.6-140.5 171.6 -3.9 10.2 -11.3 157 164 A L B >> -k 163 0C 12 -2,-0.3 4,-2.5 5,-0.2 3,-0.9 -0.202 69.4 -65.2 -57.3 142.5 -0.8 10.4 -13.5 158 165 A L T 34 S+ 0 0 43 5,-2.5 -151,-0.1 1,-0.3 4,-0.1 -0.319 111.0 28.0 -50.1 149.8 2.6 11.4 -12.2 159 166 A P T 34 S+ 0 0 85 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.981 129.4 41.0 -99.1 6.6 3.8 13.7 -11.0 160 167 A A T <4 S+ 0 0 45 -3,-0.9 -2,-0.3 3,-0.1 2,-0.1 0.921 132.6 7.9 -67.8 -47.2 0.5 14.9 -9.6 161 168 A G S < S- 0 0 8 -4,-2.5 -4,-0.1 2,-0.2 -6,-0.1 -0.402 87.9 -96.0-119.3-163.6 -0.5 11.4 -8.6 162 169 A N S S+ 0 0 52 -2,-0.1 -123,-2.2 -4,-0.1 -5,-0.2 0.449 75.5 118.8-102.4 -0.5 1.2 8.0 -8.5 163 170 A L B -Jk 38 157C 5 -7,-2.5 -5,-2.5 -125,-0.2 -125,-0.3 -0.467 43.8-165.6 -69.9 133.4 0.1 6.4 -11.8 164 171 A R S S+ 0 0 36 -127,-3.6 -126,-0.2 1,-0.2 -1,-0.2 0.619 81.2 11.6 -83.4 -22.0 2.9 5.6 -14.2 165 172 A E S S- 0 0 2 -128,-0.9 -1,-0.2 -9,-0.0 -158,-0.1 -0.969 95.1 -84.9-149.6 158.8 0.3 5.2 -17.0 166 173 A P > - 0 0 10 0, 0.0 3,-1.5 0, 0.0 4,-0.1 -0.249 41.9-113.2 -65.8 157.9 -3.4 6.0 -17.5 167 174 A L G > S+ 0 0 51 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.698 109.1 75.5 -69.6 -21.0 -5.9 3.5 -16.3 168 175 A K G > S+ 0 0 98 1,-0.3 3,-2.5 2,-0.2 -1,-0.3 0.809 78.8 76.0 -60.7 -24.2 -7.1 2.7 -19.8 169 176 A E G X + 0 0 1 -3,-1.5 3,-2.0 1,-0.3 4,-0.3 0.589 66.6 89.7 -69.6 -4.2 -3.9 0.7 -20.2 170 177 A I G X S+ 0 0 15 -3,-2.0 3,-2.0 1,-0.3 -1,-0.3 0.815 70.3 78.3 -55.1 -26.4 -5.5 -1.9 -18.0 171 178 A R G < S+ 0 0 137 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.767 82.2 63.3 -53.9 -28.0 -6.6 -3.2 -21.5 172 179 A R G < S+ 0 0 30 -3,-2.0 -1,-0.3 -4,-0.1 2,-0.2 0.616 82.9 99.2 -77.2 -13.8 -3.1 -4.6 -22.1 173 180 A A < - 0 0 0 -3,-2.0 -28,-0.2 -4,-0.3 3,-0.1 -0.509 53.9-164.1 -74.0 140.6 -3.4 -7.2 -19.2 174 181 A D S S+ 0 0 72 -30,-2.6 2,-0.3 1,-0.3 -29,-0.2 0.713 85.3 16.2 -84.1 -25.0 -4.4 -10.8 -19.8 175 182 A A E -h 145 0B 0 -31,-1.6 -29,-2.7 17,-0.1 2,-0.4 -0.996 68.6-147.4-150.9 140.4 -5.1 -11.1 -16.0 176 183 A L E -hi 146 194B 0 17,-2.4 19,-2.4 -2,-0.3 2,-0.5 -0.909 5.1-161.5-107.9 139.4 -5.7 -8.7 -13.2 177 184 A V E -hi 147 195B 0 -31,-2.5 -29,-2.4 -2,-0.4 2,-0.9 -0.977 11.9-148.4-119.0 118.5 -4.7 -9.4 -9.5 178 185 A L E -hi 148 196B 2 17,-2.2 19,-2.8 -2,-0.5 3,-0.3 -0.778 29.9-162.3 -91.4 105.2 -6.5 -7.2 -7.0 179 186 A T + 0 0 0 -31,-2.3 -29,-0.5 -2,-0.9 19,-0.1 -0.237 53.4 32.2 -94.4 174.0 -4.0 -6.8 -4.2 180 187 A Y >> + 0 0 20 -31,-0.1 4,-3.1 1,-0.1 3,-1.5 0.793 63.3 153.7 54.9 34.9 -3.8 -5.7 -0.6 181 188 A Q T 34 + 0 0 5 16,-1.8 17,-0.2 -3,-0.3 -1,-0.1 0.786 65.1 61.2 -63.4 -27.8 -7.2 -7.2 0.1 182 189 A E T 34 S+ 0 0 48 15,-0.3 -1,-0.3 2,-0.2 16,-0.1 0.660 120.4 24.2 -73.9 -14.0 -6.4 -7.8 3.8 183 190 A V T <4 S+ 0 0 8 -3,-1.5 -2,-0.2 1,-0.1 -1,-0.1 0.705 139.8 18.2-119.2 -38.6 -5.9 -4.0 4.3 184 191 A E S < S- 0 0 81 -4,-3.1 -34,-0.4 -5,-0.1 -2,-0.2 -0.652 79.5-164.9-133.6 76.5 -7.9 -2.2 1.6 185 192 A P + 0 0 81 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.330 19.6 156.9 -61.9 147.5 -10.4 -4.7 0.3 186 193 A F - 0 0 19 -8,-0.1 2,-0.4 2,-0.0 -2,-0.1 -0.982 34.5-126.8-163.9 164.0 -12.1 -3.8 -3.1 187 194 A E + 0 0 145 -2,-0.3 2,-0.4 -37,-0.0 9,-0.0 -0.951 18.9 179.9-117.5 133.3 -13.9 -5.1 -6.2 188 195 A F - 0 0 55 -2,-0.4 2,-0.5 -10,-0.0 -10,-0.1 -0.989 5.2-170.1-126.4 127.9 -13.0 -4.4 -9.8 189 196 A F + 0 0 188 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.970 26.6 141.6-115.7 129.8 -15.0 -5.9 -12.6 190 197 A T - 0 0 54 -2,-0.5 -1,-0.1 2,-0.4 0, 0.0 0.451 68.6-106.3-133.9 -11.6 -13.7 -5.6 -16.2 191 198 A G S S+ 0 0 60 1,-0.4 3,-0.1 3,-0.0 -2,-0.0 0.102 87.1 117.0 91.5 -23.4 -14.5 -8.9 -17.9 192 199 A K S S- 0 0 60 1,-0.1 -1,-0.4 -17,-0.0 -2,-0.4 -0.566 86.8 -86.1 -74.3 147.1 -10.9 -9.8 -17.7 193 200 A P - 0 0 43 0, 0.0 -17,-2.4 0, 0.0 2,-0.4 -0.330 59.7-169.3 -49.0 118.0 -9.8 -12.9 -15.6 194 201 A T E -i 176 0B 20 -19,-0.2 2,-0.4 -2,-0.1 -17,-0.2 -0.955 15.2-173.7-131.3 137.2 -9.5 -11.3 -12.2 195 202 A F E -i 177 0B 0 -19,-2.4 -17,-2.2 -2,-0.4 2,-0.3 -0.984 19.4-135.4-136.0 123.9 -8.1 -12.7 -8.9 196 203 A K E -i 178 0B 36 -2,-0.4 98,-2.1 -19,-0.2 2,-0.5 -0.598 20.1-151.8 -78.5 136.2 -8.0 -11.3 -5.4 197 204 A M E -L 293 0D 1 -19,-2.8 -16,-1.8 -2,-0.3 2,-0.4 -0.931 11.7-172.1-111.3 132.4 -4.7 -11.5 -3.5 198 205 A F E -L 292 0D 72 94,-2.7 94,-2.8 -2,-0.5 2,-0.6 -0.939 17.6-144.3-121.9 140.8 -4.5 -11.7 0.3 199 206 A R E -L 291 0D 20 -2,-0.4 2,-0.8 92,-0.2 92,-0.2 -0.939 14.3-156.0-101.8 118.4 -1.5 -11.5 2.5 200 207 A E E -L 290 0D 77 90,-3.3 90,-2.4 -2,-0.6 2,-1.0 -0.848 8.4-148.7 -99.6 104.1 -2.0 -13.8 5.5 201 208 A F E +L 289 0D 38 -2,-0.8 88,-0.2 88,-0.2 3,-0.0 -0.631 45.5 136.2 -78.7 104.1 0.3 -12.5 8.3 202 209 A C E + 0 0 41 -2,-1.0 2,-0.3 86,-0.9 87,-0.2 0.461 46.1 58.5-129.3 -11.1 1.2 -15.6 10.1 203 210 A C E -L 288 0D 24 85,-1.8 85,-2.6 -3,-0.1 2,-0.4 -0.905 50.3-148.3-139.9 156.9 4.9 -15.6 11.0 204 211 A L E -LM 287 212D 1 8,-0.6 8,-2.4 -2,-0.3 2,-0.4 -0.981 16.8-160.9-124.2 134.8 7.8 -14.0 12.7 205 212 A L E -LM 286 211D 8 81,-2.6 81,-2.3 -2,-0.4 6,-0.2 -0.942 9.0-143.1-114.1 137.4 11.4 -14.1 11.4 206 213 A N > - 0 0 30 4,-2.7 3,-2.3 -2,-0.4 79,-0.2 -0.395 42.2 -91.8 -83.5 174.9 14.5 -13.4 13.4 207 214 A S T 3 S+ 0 0 6 77,-0.5 73,-1.2 74,-0.4 74,-0.2 0.518 127.7 61.0 -72.5 -4.6 17.5 -11.6 11.8 208 215 A D T 3 S- 0 0 95 71,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.273 118.9-112.8 -93.4 10.5 19.0 -15.0 10.8 209 216 A F S < S+ 0 0 34 -3,-2.3 2,-0.4 1,-0.3 -2,-0.2 0.775 72.8 138.0 61.4 31.7 15.8 -15.6 8.7 210 217 A E - 0 0 115 -4,-0.1 -4,-2.7 1,-0.0 -1,-0.3 -0.847 59.8-109.6-101.4 141.2 14.7 -18.4 11.0 211 218 A E E +M 205 0D 146 -2,-0.4 -6,-0.2 -6,-0.2 -8,-0.0 -0.514 40.2 179.4 -66.8 134.3 11.0 -18.7 12.0 212 219 A V E -M 204 0D 36 -8,-2.4 -8,-0.6 -2,-0.2 0, 0.0 -0.978 29.9-102.2-134.5 150.9 10.4 -17.9 15.7 213 220 A P > - 0 0 84 0, 0.0 3,-0.8 0, 0.0 4,-0.1 -0.206 25.8-118.7 -70.1 162.1 7.1 -17.9 17.6 214 221 A F G > S+ 0 0 79 1,-0.2 3,-3.2 2,-0.1 4,-0.3 0.657 88.7 101.4 -71.4 -16.5 5.3 -14.7 18.5 215 222 A D G > S+ 0 0 134 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.754 77.1 63.6 -42.5 -26.4 5.5 -15.3 22.3 216 223 A I G < S+ 0 0 59 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.1 0.849 95.4 55.8 -69.5 -34.4 8.3 -12.7 22.1 217 224 A L G X S+ 0 0 17 -3,-3.2 2,-0.6 -4,-0.1 3,-0.6 0.241 85.6 112.2 -81.5 15.4 6.0 -9.9 21.0 218 225 A K T < S- 0 0 131 -3,-1.2 3,-0.1 -4,-0.3 25,-0.0 -0.813 90.1 -5.7 -99.4 125.5 3.8 -10.5 24.1 219 226 A E T 3 S+ 0 0 145 -2,-0.6 2,-0.4 1,-0.3 -1,-0.2 0.761 110.2 114.1 64.8 25.5 3.7 -7.8 26.7 220 227 A R < - 0 0 85 -3,-0.6 2,-0.5 24,-0.0 24,-0.3 -0.968 60.3-147.9-119.3 137.2 6.3 -6.0 24.7 221 228 A E - 0 0 107 -2,-0.4 46,-0.4 -3,-0.1 2,-0.2 -0.918 28.7-154.3 -92.5 136.1 5.8 -2.7 23.0 222 229 A V E -n 245 0D 1 22,-2.4 24,-2.6 -2,-0.5 25,-1.0 -0.679 18.7-125.2-108.8 163.5 8.0 -2.7 19.9 223 230 A I E -no 247 268D 6 44,-2.7 46,-1.9 -2,-0.2 2,-0.3 -0.969 36.5-163.4-103.6 117.5 9.6 -0.1 17.9 224 231 A A E +no 248 269D 0 23,-2.5 25,-2.3 -2,-0.6 2,-0.3 -0.741 16.6 157.8-101.1 151.9 8.5 -0.8 14.3 225 232 A F E +n 249 0D 0 44,-2.0 46,-0.3 -2,-0.3 2,-0.3 -0.979 10.1 172.7-161.9 157.1 10.0 0.6 11.1 226 233 A S E -n 250 0D 0 23,-1.3 25,-2.5 -2,-0.3 2,-0.5 -0.958 27.2-140.6-156.1 157.1 10.3 -0.1 7.4 227 234 A G E +n 251 0D 0 -2,-0.3 27,-0.9 23,-0.2 2,-0.2 -0.893 51.6 139.6-117.7 109.4 11.6 1.5 4.2 228 235 A L S S- 0 0 22 23,-0.6 3,-0.4 -2,-0.5 25,-0.3 -0.751 71.2 -97.6-142.0 162.6 9.0 0.7 1.6 229 236 A G S S+ 0 0 34 1,-0.3 2,-0.3 -2,-0.2 -188,-0.2 0.909 123.4 12.5 -54.3 -42.2 7.1 2.0 -1.3 230 237 A D >> - 0 0 62 1,-0.1 3,-1.1 -3,-0.0 4,-0.7 -0.740 62.7-179.1-141.2 99.1 4.4 2.7 1.2 231 238 A N H 3> S+ 0 0 14 -3,-0.4 4,-2.3 -2,-0.3 5,-0.2 0.693 78.2 75.2 -64.0 -19.7 5.2 2.5 5.0 232 239 A G H 3> S+ 0 0 41 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.873 91.2 51.1 -65.2 -39.0 1.6 3.3 5.7 233 240 A Q H <> S+ 0 0 23 -3,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.873 109.4 52.3 -70.0 -30.2 0.2 -0.1 4.8 234 241 A F H X S+ 0 0 8 -4,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.950 110.0 46.7 -67.6 -48.7 2.7 -1.8 7.0 235 242 A R H X S+ 0 0 153 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.851 112.5 51.6 -64.4 -28.2 1.8 0.3 10.0 236 243 A K H X S+ 0 0 83 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.918 107.3 52.5 -71.2 -43.1 -1.9 -0.3 9.3 237 244 A V H X S+ 0 0 4 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.934 107.1 53.3 -54.7 -45.8 -1.3 -4.1 9.1 238 245 A L H <>S+ 0 0 1 -4,-2.2 5,-2.6 1,-0.2 4,-0.3 0.892 110.7 46.7 -60.4 -39.8 0.5 -3.9 12.6 239 246 A K H ><5S+ 0 0 165 -4,-1.5 3,-1.4 1,-0.2 -1,-0.2 0.923 109.7 51.9 -68.7 -45.2 -2.6 -2.2 14.0 240 247 A N H 3<5S+ 0 0 96 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.842 109.5 51.5 -61.6 -30.7 -5.1 -4.6 12.5 241 248 A L T 3<5S- 0 0 80 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.557 114.2-120.4 -79.8 -8.5 -3.0 -7.5 14.0 242 249 A G T < 5 + 0 0 56 -3,-1.4 2,-0.5 -4,-0.3 -3,-0.2 0.810 53.9 161.5 70.4 30.7 -3.1 -5.8 17.4 243 250 A I < - 0 0 29 -5,-2.6 2,-0.8 -6,-0.2 -1,-0.3 -0.736 41.8-124.0 -82.1 132.0 0.6 -5.6 17.7 244 251 A K - 0 0 92 -2,-0.5 -22,-2.4 -24,-0.3 2,-0.5 -0.652 33.5-179.1 -82.4 108.0 1.6 -3.0 20.3 245 252 A V E -n 222 0D 44 -2,-0.8 -22,-0.2 -24,-0.2 3,-0.1 -0.931 16.1-178.1-114.4 119.9 3.9 -0.5 18.6 246 253 A K E S+ 0 0 94 -24,-2.6 2,-0.3 -2,-0.5 -23,-0.2 0.710 75.3 11.9 -92.4 -19.1 5.2 2.4 20.8 247 254 A E E -n 223 0D 103 -25,-1.0 -23,-2.5 2,-0.0 2,-0.4 -0.976 62.0-158.7-156.1 141.1 7.1 4.1 18.0 248 255 A F E -n 224 0D 43 -2,-0.3 2,-0.6 -25,-0.2 -23,-0.2 -0.994 5.6-160.2-124.3 126.3 7.2 3.8 14.2 249 256 A M E -n 225 0D 44 -25,-2.3 -23,-1.3 -2,-0.4 2,-0.7 -0.935 8.2-154.1-108.2 122.1 10.0 5.1 12.1 250 257 A S E -n 226 0D 82 -2,-0.6 -23,-0.2 -25,-0.2 -25,-0.0 -0.854 17.3-172.4 -99.5 110.5 9.2 5.7 8.5 251 258 A F E -n 227 0D 40 -25,-2.5 -23,-0.6 -2,-0.7 -20,-0.2 -0.652 30.7 -89.4-101.8 158.8 12.3 5.3 6.2 252 259 A P > - 0 0 80 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.313 57.6 -86.1 -56.8 142.6 12.8 6.1 2.5 253 260 A D T 3 S+ 0 0 61 -25,-0.3 -25,-0.3 1,-0.3 -24,-0.1 -0.189 115.9 12.5 -45.4 140.0 12.1 3.2 0.1 254 261 A H T 3 S- 0 0 23 -27,-0.9 -1,-0.3 1,-0.2 -162,-0.1 0.657 87.8-179.8 59.3 21.2 15.2 1.0 -0.3 255 262 A Y < - 0 0 40 -3,-1.8 -1,-0.2 1,-0.1 -28,-0.1 -0.200 24.7-145.2 -53.1 141.2 16.9 2.6 2.7 256 263 A D - 0 0 72 1,-0.0 -1,-0.1 -168,-0.0 4,-0.1 0.529 20.1-136.1 -95.3 -6.2 20.3 1.1 3.2 257 264 A Y > + 0 0 7 1,-0.1 3,-1.4 2,-0.1 -2,-0.1 0.702 54.9 143.3 59.5 26.9 20.2 1.4 7.0 258 265 A S T 3 S+ 0 0 88 1,-0.2 -1,-0.1 3,-0.0 -3,-0.0 0.887 73.2 47.8 -59.5 -38.1 23.8 2.6 7.2 259 266 A D T 3 S+ 0 0 126 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 0.280 86.2 121.7 -83.0 7.8 22.8 4.9 10.1 260 267 A F < + 0 0 22 -3,-1.4 0, 0.0 -4,-0.1 0, 0.0 -0.608 27.4 164.9 -94.7 127.5 20.9 2.3 12.1 261 268 A T - 0 0 117 -2,-0.4 2,-0.1 2,-0.0 -2,-0.0 -0.960 29.8-135.1-135.7 115.8 21.9 1.4 15.7 262 269 A P - 0 0 47 0, 0.0 2,-0.5 0, 0.0 22,-0.0 -0.422 20.6-123.1 -67.5 144.7 19.5 -0.6 17.9 263 270 A E > - 0 0 119 -2,-0.1 3,-1.7 1,-0.1 -2,-0.0 -0.799 33.8-103.3 -87.8 131.7 19.0 0.6 21.4 264 271 A E T 3 S+ 0 0 191 -2,-0.5 3,-0.1 1,-0.2 -1,-0.1 -0.188 103.8 21.1 -51.4 136.2 19.8 -2.0 24.1 265 272 A G T 3 S+ 0 0 55 1,-0.3 2,-0.2 -3,-0.0 -1,-0.2 0.315 99.0 113.9 90.7 -10.0 16.7 -3.6 25.7 266 273 A E < - 0 0 32 -3,-1.7 2,-0.5 -46,-0.0 -1,-0.3 -0.653 57.3-140.2-100.2 153.6 14.3 -2.7 22.8 267 274 A I - 0 0 8 -46,-0.4 -44,-2.7 -2,-0.2 2,-0.4 -0.957 17.8-157.9-112.1 130.9 12.5 -5.0 20.4 268 275 A Y E -op 223 284D 12 15,-2.5 17,-2.7 -2,-0.5 2,-0.4 -0.877 4.6-163.1-114.0 136.0 12.3 -4.0 16.7 269 276 A L E +op 224 285D 0 -46,-1.9 -44,-2.0 -2,-0.4 17,-0.2 -0.990 25.3 143.0-124.7 131.1 9.7 -5.1 14.2 270 277 A T E - p 0 286D 0 15,-2.1 17,-2.4 -2,-0.4 -44,-0.2 -0.674 44.6 -83.3-151.9-173.0 10.2 -4.7 10.5 271 278 A T > - 0 0 14 -46,-0.3 4,-2.9 15,-0.3 3,-0.3 -0.679 36.2-109.8-108.5 166.6 9.7 -6.3 7.1 272 279 A P H > S+ 0 0 10 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.862 118.1 59.4 -62.1 -34.5 11.7 -9.0 5.3 273 280 A K H 4 S+ 0 0 19 1,-0.2 4,-0.2 2,-0.2 -177,-0.1 0.879 113.6 38.8 -58.2 -40.0 12.7 -6.4 2.7 274 281 A D H >4 S+ 0 0 0 -3,-0.3 3,-1.8 1,-0.2 -1,-0.2 0.886 109.1 60.9 -74.8 -42.4 14.3 -4.4 5.5 275 282 A L H >< S+ 0 0 0 -4,-2.9 3,-1.9 1,-0.3 -2,-0.2 0.746 88.6 71.0 -63.2 -23.1 15.6 -7.4 7.4 276 283 A I T 3< S+ 0 0 2 -4,-1.5 3,-0.5 1,-0.3 -1,-0.3 0.803 101.0 49.2 -63.4 -22.6 17.9 -8.4 4.5 277 284 A K T < S+ 0 0 17 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.398 111.5 47.7 -93.8 1.2 19.9 -5.4 5.4 278 285 A L S X S+ 0 0 0 -3,-1.9 3,-2.1 -4,-0.1 -1,-0.2 -0.113 74.2 162.9-131.3 35.0 20.1 -6.1 9.1 279 286 A Q T 3 + 0 0 76 -3,-0.5 -71,-0.2 1,-0.3 3,-0.1 -0.285 69.1 14.7 -67.0 140.6 21.1 -9.7 9.2 280 287 A G T 3 S+ 0 0 39 -73,-1.2 2,-0.5 1,-0.3 -1,-0.3 0.383 85.3 138.0 77.0 -3.4 22.5 -10.9 12.5 281 288 A Y X - 0 0 85 -3,-2.1 3,-1.0 -74,-0.2 -74,-0.4 -0.638 54.8-126.7 -72.3 124.7 21.2 -7.8 14.4 282 289 A E T 3 S+ 0 0 138 -2,-0.5 3,-0.1 1,-0.2 -1,-0.1 -0.446 85.9 17.1 -68.6 146.3 19.9 -9.2 17.7 283 290 A N T 3 S+ 0 0 75 1,-0.2 -15,-2.5 -2,-0.1 2,-0.5 0.703 91.7 118.5 62.4 20.3 16.3 -8.2 18.7 284 291 A V E < + p 0 268D 1 -3,-1.0 -77,-0.5 -17,-0.2 2,-0.3 -0.986 40.5 175.1-110.1 120.4 15.4 -7.1 15.2 285 292 A F E - p 0 269D 17 -17,-2.7 -15,-2.1 -2,-0.5 2,-0.4 -0.829 20.2-140.6-120.6 162.5 12.5 -9.3 13.8 286 293 A A E -Lp 205 270D 0 -81,-2.3 -81,-2.6 -2,-0.3 2,-0.4 -0.989 15.2-128.0-124.3 137.9 10.4 -9.2 10.6 287 294 A L E -L 204 0D 4 -17,-2.4 2,-0.3 -2,-0.4 -83,-0.2 -0.659 34.5-170.1 -73.6 128.1 6.7 -9.8 10.2 288 295 A N E -L 203 0D 34 -85,-2.6 -85,-1.8 -2,-0.4 -86,-0.9 -0.841 5.4-172.7-121.8 162.9 6.2 -12.4 7.4 289 296 A F E -L 201 0D 45 -2,-0.3 2,-0.3 -88,-0.2 -88,-0.2 -0.954 22.7-118.1-147.0 161.7 3.2 -13.6 5.6 290 297 A K E -L 200 0D 121 -90,-2.4 -90,-3.3 -2,-0.3 2,-0.5 -0.767 28.1-129.8-100.4 155.6 1.8 -16.1 3.1 291 298 A V E -L 199 0D 27 -2,-0.3 2,-0.4 -92,-0.2 -92,-0.2 -0.888 25.3-172.9-107.3 128.1 0.3 -15.1 -0.2 292 299 A K E -L 198 0D 112 -94,-2.8 -94,-2.7 -2,-0.5 2,-0.4 -0.984 5.1-161.9-127.2 137.9 -3.1 -16.5 -1.1 293 300 A L E > -L 197 0D 16 -2,-0.4 3,-0.5 -96,-0.2 -96,-0.2 -0.953 18.5-124.6-117.8 133.1 -5.1 -16.2 -4.3 294 301 A E T 3 S+ 0 0 68 -98,-2.1 5,-0.2 -2,-0.4 -2,-0.0 -0.393 94.6 14.9 -63.2 149.7 -8.7 -16.8 -5.1 295 302 A R T 3> S+ 0 0 139 1,-0.1 4,-2.5 3,-0.1 -1,-0.2 0.904 75.2 167.8 50.4 52.0 -9.6 -19.2 -7.8 296 303 A E H <> S+ 0 0 69 -3,-0.5 4,-3.2 1,-0.2 5,-0.2 0.853 71.9 56.1 -64.6 -36.2 -6.0 -20.6 -7.8 297 304 A E H > S+ 0 0 122 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.932 108.8 47.9 -66.7 -40.2 -7.0 -23.6 -10.0 298 305 A K H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.939 113.0 49.5 -61.0 -46.3 -8.3 -21.1 -12.6 299 306 A L H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.915 108.1 53.3 -60.2 -43.1 -5.0 -19.1 -12.3 300 307 A K H X S+ 0 0 68 -4,-3.2 4,-2.5 2,-0.2 -1,-0.2 0.845 107.1 50.9 -61.1 -38.8 -2.9 -22.2 -12.7 301 308 A K H X S+ 0 0 110 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.928 110.0 50.3 -65.7 -44.1 -4.6 -23.2 -15.9 302 309 A L H < S+ 0 0 52 -4,-2.0 4,-0.3 1,-0.2 -2,-0.2 0.870 113.7 46.6 -58.2 -38.5 -4.0 -19.7 -17.2 303 310 A I H >< S+ 0 0 1 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.890 110.0 50.5 -76.1 -39.6 -0.4 -20.0 -16.2 304 311 A Y H >< S+ 0 0 46 -4,-2.5 3,-2.1 1,-0.2 -2,-0.2 0.800 91.7 76.7 -75.5 -20.9 0.3 -23.5 -17.6 305 312 A R G >< S+ 0 0 153 -4,-1.7 3,-1.5 1,-0.3 -1,-0.2 0.744 82.5 69.8 -55.4 -26.7 -1.2 -22.6 -21.1 306 313 A I G < S+ 0 0 27 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.695 90.1 59.9 -69.6 -19.2 2.0 -20.7 -21.9 307 314 A F G < 0 0 46 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.423 360.0 360.0 -85.7 1.2 4.0 -24.0 -22.0 308 315 A Y < 0 0 233 -3,-1.5 -3,-0.0 -4,-0.2 0, 0.0 -0.714 360.0 360.0-111.4 360.0 1.9 -25.4 -24.9