==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 21-FEB-13 4JCC . COMPND 2 MOLECULE: IRON-COMPOUND ABC TRANSPORTER, IRON-COMPOUND-BIND . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR P.J.STOGIOS,Z.WAWRZAK,M.KUDRITSKA,V.YIM,A.SAVCHENKO,W.F.ANDE . 284 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13431.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 5.3 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 15 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 4 0 2 2 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 37 A S 0 0 172 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.8 13.4 16.5 -10.2 2 38 A A - 0 0 62 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.299 360.0 -94.3 -66.8 147.4 9.6 15.9 -9.9 3 39 A P - 0 0 106 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.272 44.1-100.3 -64.3 150.5 7.7 18.3 -7.7 4 40 A T + 0 0 76 1,-0.1 14,-0.3 -3,-0.1 3,-0.1 -0.501 41.7 167.1 -72.2 132.0 7.0 17.3 -4.1 5 41 A E + 0 0 138 12,-3.0 2,-0.3 1,-0.3 13,-0.2 0.635 68.2 25.0-112.8 -28.9 3.6 15.9 -3.3 6 42 A V E -A 17 0A 12 11,-2.1 11,-2.6 13,-0.1 2,-0.3 -0.984 62.0-162.5-136.9 149.3 4.2 14.5 0.3 7 43 A T E -A 16 0A 55 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.983 1.9-162.2-132.5 144.4 6.6 15.4 3.0 8 44 A I E -A 15 0A 0 7,-2.4 7,-2.4 -2,-0.3 2,-0.3 -0.938 6.0-162.8-133.6 106.4 7.6 13.4 6.1 9 45 A K + 0 0 139 -2,-0.5 2,-0.2 5,-0.2 4,-0.1 -0.652 27.6 136.7 -85.8 146.0 9.3 15.0 9.1 10 46 A S S S- 0 0 28 2,-0.7 97,-0.2 -2,-0.3 4,-0.1 -0.807 72.6 -62.9-160.0-161.3 11.1 12.9 11.6 11 47 A S S S+ 0 0 61 95,-2.5 96,-0.1 -2,-0.2 2,-0.1 0.714 118.4 64.2 -71.8 -21.1 14.4 12.9 13.6 12 48 A L S S- 0 0 30 94,-0.4 -2,-0.7 1,-0.2 3,-0.1 -0.339 112.0 -59.4 -89.5 178.3 16.2 12.7 10.2 13 49 A D S S- 0 0 127 1,-0.1 -1,-0.2 -2,-0.1 91,-0.1 -0.286 72.7 -88.9 -54.2 141.5 16.2 15.3 7.4 14 50 A E - 0 0 63 -3,-0.1 2,-0.4 -5,-0.1 -5,-0.2 -0.324 41.9-135.9 -57.8 132.0 12.7 15.9 6.1 15 51 A V E -A 8 0A 10 -7,-2.4 -7,-2.4 -3,-0.1 2,-0.4 -0.761 18.3-167.9 -92.0 135.4 11.8 13.5 3.3 16 52 A K E -A 7 0A 128 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.992 7.6-175.8-128.0 120.7 10.1 14.9 0.2 17 53 A L E -A 6 0A 18 -11,-2.6 -12,-3.0 -2,-0.4 -11,-2.1 -0.893 29.5-139.5-120.4 150.6 8.5 12.5 -2.3 18 54 A S S S+ 0 0 48 -2,-0.3 2,-0.3 -14,-0.3 -1,-0.1 0.469 86.7 5.2 -87.0 -2.3 6.8 13.2 -5.6 19 55 A K S S- 0 0 128 -13,-0.1 -13,-0.1 109,-0.0 -14,-0.1 -0.959 99.5 -63.8-167.1 166.3 4.0 10.6 -5.0 20 56 A V - 0 0 43 -2,-0.3 2,-0.3 1,-0.1 109,-0.1 -0.402 61.1-110.5 -60.0 130.5 2.7 8.3 -2.4 21 57 A P + 0 0 1 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.500 36.0 179.0 -71.5 130.4 5.3 5.6 -1.6 22 58 A E S S+ 0 0 121 -2,-0.3 2,-0.3 1,-0.2 -2,-0.1 0.450 71.5 52.6-105.7 -13.2 4.2 2.2 -2.8 23 59 A K S S+ 0 0 80 21,-0.1 60,-2.1 2,-0.0 61,-1.3 -0.739 71.8 171.7-132.8 83.3 7.3 0.2 -1.7 24 60 A I E -bc 44 84B 0 19,-3.0 21,-2.6 -2,-0.3 22,-1.7 -0.796 18.8-164.0-103.1 135.3 8.0 0.8 1.9 25 61 A V E -bc 46 85B 0 59,-2.3 61,-3.1 -2,-0.4 2,-0.4 -0.963 17.6-173.4-109.7 130.2 10.6 -1.1 4.1 26 62 A T E + c 0 86B 0 20,-2.3 61,-0.2 -2,-0.5 40,-0.1 -0.988 33.7 174.2-133.5 132.5 10.1 -0.6 7.8 27 63 A F S S+ 0 0 0 59,-2.9 2,-0.7 -2,-0.4 60,-0.1 0.338 72.7 87.9 -99.1 -2.1 12.1 -1.6 10.9 28 64 A D > - 0 0 28 58,-0.5 4,-1.8 1,-0.2 5,-0.1 -0.893 60.8-168.1 -99.5 110.5 9.6 0.4 13.1 29 65 A L H > S+ 0 0 3 -2,-0.7 4,-2.2 236,-0.4 -1,-0.2 0.828 86.0 56.5 -74.5 -32.4 6.8 -2.0 14.0 30 66 A G H > S+ 0 0 1 237,-0.3 4,-2.3 2,-0.2 240,-0.3 0.919 107.6 50.2 -59.9 -43.0 4.6 0.8 15.3 31 67 A A H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.899 107.7 53.2 -62.0 -42.7 4.9 2.5 11.9 32 68 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.924 109.8 48.3 -55.8 -44.8 4.0 -0.8 10.2 33 69 A D H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.874 110.3 51.3 -70.8 -29.7 0.8 -1.0 12.3 34 70 A T H X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.939 109.3 50.4 -64.6 -50.3 -0.1 2.6 11.6 35 71 A I H <>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 4,-0.4 0.926 113.5 45.7 -55.6 -44.7 0.3 2.1 7.9 36 72 A R H ><5S+ 0 0 62 -4,-2.4 3,-1.4 4,-0.3 5,-0.4 0.908 109.6 53.9 -65.9 -42.2 -1.9 -1.0 8.1 37 73 A A H 3<5S+ 0 0 38 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.818 105.8 54.8 -61.5 -29.9 -4.5 0.8 10.2 38 74 A L T 3<5S- 0 0 8 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.529 123.8-103.7 -79.7 -9.5 -4.7 3.6 7.6 39 75 A G T < 5S+ 0 0 61 -3,-1.4 3,-0.2 -4,-0.4 -3,-0.2 0.536 95.3 104.5 98.8 13.3 -5.5 1.0 4.9 40 76 A F > < + 0 0 42 -5,-2.3 3,-1.8 -6,-0.2 4,-0.3 0.033 28.0 123.3-118.8 25.7 -2.1 1.0 3.2 41 77 A A G > + 0 0 23 -5,-0.4 3,-2.0 -6,-0.3 -1,-0.2 0.832 69.5 66.3 -55.0 -35.4 -0.6 -2.3 4.3 42 78 A K G 3 S+ 0 0 196 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.776 91.0 65.5 -58.4 -26.5 -0.1 -3.4 0.7 43 79 A N G < S+ 0 0 26 -3,-1.8 -19,-3.0 -20,-0.1 2,-0.6 0.605 81.1 90.3 -72.2 -14.7 2.4 -0.6 0.4 44 80 A I E < +b 24 0B 2 -3,-2.0 -19,-0.2 -4,-0.3 3,-0.1 -0.782 45.5 165.2 -84.4 117.3 4.8 -2.3 2.9 45 81 A V E + 0 0 33 -21,-2.6 19,-2.5 -2,-0.6 2,-0.3 0.612 60.2 33.9-107.7 -17.1 7.1 -4.6 1.0 46 82 A G E +bd 25 64B 0 -22,-1.7 -20,-2.3 17,-0.2 -1,-0.2 -0.998 54.7 150.4-145.2 141.4 9.8 -5.4 3.6 47 83 A M E - d 0 65B 0 17,-1.7 19,-1.2 -2,-0.3 20,-0.4 -0.963 51.1 -96.7-157.1 147.6 9.9 -5.9 7.3 48 84 A P - 0 0 1 0, 0.0 20,-0.2 0, 0.0 17,-0.1 -0.571 35.4-174.4 -66.4 133.1 12.2 -7.9 9.6 49 85 A T + 0 0 37 18,-0.8 3,-0.4 -2,-0.3 19,-0.1 0.344 56.1 97.0-114.2 10.8 10.4 -11.1 10.3 50 86 A K S S+ 0 0 159 17,-1.3 2,-0.4 1,-0.3 18,-0.1 0.914 101.8 14.5 -63.3 -43.6 12.7 -12.7 12.9 51 87 A T S S+ 0 0 38 -3,-0.1 -1,-0.3 214,-0.0 178,-0.0 -0.838 78.3 169.0-137.9 96.7 10.7 -11.5 15.9 52 88 A V - 0 0 33 -2,-0.4 5,-0.1 -3,-0.4 209,-0.1 -0.935 36.1-117.3-116.2 125.9 7.2 -10.2 15.1 53 89 A P > - 0 0 0 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.301 28.9-116.4 -58.6 145.1 4.6 -9.5 17.8 54 90 A T G > S+ 0 0 104 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.834 112.7 62.2 -52.9 -39.4 1.5 -11.7 17.5 55 91 A Y G 3 S+ 0 0 40 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.736 110.0 42.0 -62.6 -20.6 -0.8 -8.7 16.8 56 92 A L G X S+ 0 0 0 -3,-2.1 3,-2.3 1,-0.1 4,-0.5 0.312 80.0 111.8-103.8 5.0 1.3 -8.1 13.6 57 93 A K G X + 0 0 138 -3,-1.8 3,-1.4 -4,-0.3 4,-0.5 0.776 67.0 64.4 -55.6 -33.2 1.7 -11.7 12.4 58 94 A D G 3 S+ 0 0 134 -4,-0.3 4,-0.3 1,-0.3 -1,-0.3 0.676 92.7 64.2 -70.8 -12.8 -0.5 -11.3 9.4 59 95 A L G X> S+ 0 0 3 -3,-2.3 4,-1.0 1,-0.2 3,-0.8 0.716 84.1 76.6 -77.8 -19.3 1.9 -8.8 7.8 60 96 A V G X4 S+ 0 0 53 -3,-1.4 3,-0.8 -4,-0.5 -1,-0.2 0.930 93.2 50.1 -56.6 -45.3 4.6 -11.5 7.6 61 97 A G G 34 S+ 0 0 75 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.722 109.6 51.0 -67.4 -20.6 3.0 -13.1 4.6 62 98 A T G <4 S+ 0 0 93 -3,-0.8 -1,-0.2 -4,-0.3 2,-0.2 0.576 106.6 57.2 -97.3 -7.1 2.7 -9.9 2.7 63 99 A V S << S- 0 0 17 -4,-1.0 2,-0.4 -3,-0.8 -17,-0.2 -0.654 78.9-117.0-111.7 167.2 6.3 -8.7 3.0 64 100 A K E -d 46 0B 144 -19,-2.5 -17,-1.7 -2,-0.2 2,-0.3 -0.873 41.6-105.7 -98.5 142.9 9.7 -9.9 2.2 65 101 A N E -d 47 0B 83 -2,-0.4 3,-0.1 -19,-0.2 -19,-0.0 -0.534 34.2-179.6 -69.9 125.2 12.0 -10.5 5.2 66 102 A V - 0 0 0 -19,-1.2 7,-2.8 -2,-0.3 2,-0.4 0.097 52.3 -90.9-114.2 20.7 14.7 -7.8 5.5 67 103 A G B -F 72 0C 18 -20,-0.4 -17,-1.3 5,-0.2 -18,-0.8 -0.912 63.0 -30.4 123.2-138.0 16.4 -9.2 8.6 68 104 A S - 0 0 23 3,-2.5 5,-0.1 -2,-0.4 -19,-0.0 -0.687 60.5 -94.9-119.5 175.7 16.0 -8.7 12.4 69 105 A M S S+ 0 0 16 1,-0.2 19,-0.1 -2,-0.2 21,-0.0 0.740 126.8 24.0 -65.0 -19.8 14.9 -5.9 14.6 70 106 A K S S+ 0 0 97 1,-0.2 -1,-0.2 21,-0.1 18,-0.0 0.528 121.1 56.3-118.4 -12.0 18.6 -4.9 15.1 71 107 A E - 0 0 112 2,-0.0 -3,-2.5 23,-0.0 -1,-0.2 -0.884 67.9-155.7-134.8 103.2 20.3 -6.3 12.0 72 108 A P B -F 67 0C 19 0, 0.0 2,-0.9 0, 0.0 -5,-0.2 -0.438 17.2-135.4 -80.2 148.4 19.2 -5.4 8.4 73 109 A D > - 0 0 66 -7,-2.8 4,-2.1 1,-0.2 5,-0.2 -0.855 24.0-173.0 -96.7 93.5 19.7 -7.5 5.3 74 110 A L H > S+ 0 0 59 -2,-0.9 4,-2.5 1,-0.2 5,-0.2 0.845 80.5 54.6 -65.3 -33.9 20.9 -4.7 3.1 75 111 A E H > S+ 0 0 158 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.913 108.8 48.2 -60.7 -45.8 20.9 -6.8 -0.1 76 112 A A H > S+ 0 0 23 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.891 111.4 51.5 -63.5 -39.4 17.3 -7.8 0.5 77 113 A I H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 4,-0.3 0.947 109.8 47.7 -64.9 -48.1 16.4 -4.2 1.1 78 114 A A H >< S+ 0 0 52 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.890 106.0 59.1 -59.1 -39.4 18.0 -3.0 -2.2 79 115 A A H 3< S+ 0 0 85 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.752 97.6 61.1 -63.9 -26.3 16.3 -5.8 -4.2 80 116 A L T << S- 0 0 27 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.521 98.2-139.1 -76.8 -7.9 12.9 -4.5 -3.1 81 117 A E < - 0 0 145 -3,-1.8 -3,-0.1 -4,-0.3 -2,-0.1 0.925 29.6-160.7 49.8 51.5 13.6 -1.1 -4.8 82 118 A P - 0 0 11 0, 0.0 -58,-0.2 0, 0.0 3,-0.1 -0.255 27.1-159.5 -67.2 149.3 12.0 0.8 -1.9 83 119 A D S S+ 0 0 42 -60,-2.1 2,-0.3 1,-0.3 -59,-0.2 0.563 83.7 22.7 -97.7 -7.8 10.8 4.3 -2.3 84 120 A L E -c 24 0B 0 -61,-1.3 -59,-2.3 18,-0.1 2,-0.5 -0.956 62.5-161.6-154.6 134.6 10.9 4.8 1.5 85 121 A I E -ce 25 104B 0 18,-2.5 20,-2.3 -2,-0.3 2,-0.8 -0.983 8.3-156.7-115.8 127.8 12.8 3.2 4.4 86 122 A I E -ce 26 105B 0 -61,-3.1 -59,-2.9 -2,-0.5 -58,-0.5 -0.914 16.9-168.7-102.8 104.7 11.6 3.6 7.9 87 123 A A - 0 0 0 18,-2.9 20,-0.5 -2,-0.8 -59,-0.1 -0.128 6.4-144.5 -76.7-175.7 14.5 3.1 10.2 88 124 A S > - 0 0 6 18,-0.2 3,-1.0 1,-0.1 4,-0.4 -0.955 30.8 -99.6-147.1 161.7 14.1 2.7 14.0 89 125 A P G > S+ 0 0 70 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.922 124.8 54.5 -49.7 -44.6 16.1 3.7 17.1 90 126 A R G 3 S+ 0 0 53 1,-0.3 3,-0.2 2,-0.1 -62,-0.0 0.770 114.9 39.2 -60.0 -29.0 17.4 0.1 17.2 91 127 A T G X S+ 0 0 0 -3,-1.0 3,-2.2 1,-0.2 -1,-0.3 0.186 77.9 114.2-108.3 17.6 18.7 0.4 13.6 92 128 A Q G X + 0 0 92 -3,-1.5 3,-1.9 -4,-0.4 4,-0.3 0.837 67.7 67.5 -60.1 -31.1 20.0 4.0 13.7 93 129 A K G 3 S+ 0 0 135 -4,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.655 100.8 50.3 -62.2 -14.3 23.5 2.7 13.1 94 130 A F G <> S+ 0 0 35 -3,-2.2 4,-2.4 1,-0.1 -1,-0.3 0.321 75.7 106.2-105.1 5.7 22.5 1.6 9.6 95 131 A V H <> S+ 0 0 17 -3,-1.9 4,-2.6 1,-0.2 5,-0.2 0.858 77.9 53.8 -58.2 -38.6 20.9 4.9 8.5 96 132 A D H > S+ 0 0 100 -4,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.932 111.1 46.1 -61.9 -41.7 23.8 5.8 6.2 97 133 A K H > S+ 0 0 90 -3,-0.3 4,-0.5 1,-0.2 3,-0.3 0.891 111.7 52.2 -66.7 -39.6 23.4 2.5 4.4 98 134 A F H >X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 3,-1.7 0.930 105.3 55.0 -60.7 -44.9 19.7 2.9 4.2 99 135 A K H 3< S+ 0 0 96 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.783 97.7 63.3 -64.4 -26.0 20.0 6.3 2.6 100 136 A E H 3< S+ 0 0 147 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.739 113.4 36.6 -64.2 -23.4 22.2 4.9 -0.1 101 137 A I H << S- 0 0 53 -3,-1.7 -2,-0.2 -4,-0.5 -1,-0.2 0.846 129.9 -23.7 -97.9 -44.9 19.2 2.9 -1.2 102 138 A A S < S- 0 0 9 -4,-2.3 -1,-0.4 -17,-0.0 -18,-0.1 -0.986 81.1 -62.4-161.4 163.0 16.2 5.2 -0.6 103 139 A P - 0 0 60 0, 0.0 -18,-2.5 0, 0.0 2,-0.4 -0.315 58.8-155.5 -53.1 136.7 14.9 8.2 1.3 104 140 A T E -e 85 0B 2 -20,-0.2 2,-0.3 -91,-0.1 -18,-0.2 -0.956 16.9-174.4-130.0 135.1 14.9 7.3 5.0 105 141 A V E -e 86 0B 0 -20,-2.3 -18,-2.9 -2,-0.4 2,-0.3 -0.845 5.1-166.7-119.6 161.6 13.0 8.5 8.1 106 142 A L - 0 0 0 -2,-0.3 -95,-2.5 -20,-0.2 2,-0.4 -0.863 13.4-147.3-151.9 112.9 13.4 7.6 11.8 107 143 A F - 0 0 16 -20,-0.5 2,-0.4 -2,-0.3 -97,-0.1 -0.684 16.2-175.7 -87.6 131.4 10.7 8.6 14.3 108 144 A Q - 0 0 84 -2,-0.4 2,-0.3 9,-0.1 13,-0.1 -0.968 11.6-147.4-121.8 142.0 11.7 9.5 17.8 109 145 A A - 0 0 44 -2,-0.4 2,-0.2 12,-0.0 5,-0.1 -0.797 20.4-115.9-102.3 150.6 9.4 10.3 20.7 110 146 A S - 0 0 46 3,-0.5 8,-0.1 -2,-0.3 7,-0.1 -0.592 12.2-144.9 -71.9 143.7 10.0 12.6 23.6 111 147 A K S S+ 0 0 90 -2,-0.2 3,-0.3 2,-0.1 68,-0.2 0.654 101.3 45.4 -82.5 -15.6 10.2 10.9 27.0 112 148 A D S S+ 0 0 89 1,-0.2 2,-1.8 66,-0.1 3,-0.2 0.915 124.5 25.5 -81.3 -77.3 8.6 14.1 28.4 113 149 A D S > S+ 0 0 75 1,-0.2 4,-2.1 2,-0.1 -3,-0.5 -0.492 77.9 161.2 -90.9 69.0 5.7 14.8 26.0 114 150 A Y H > + 0 0 32 -2,-1.8 4,-2.4 -3,-0.3 -1,-0.2 0.919 69.1 41.8 -56.5 -50.4 5.3 11.3 24.8 115 151 A W H > S+ 0 0 22 -3,-0.2 4,-3.0 2,-0.2 5,-0.2 0.921 113.3 49.4 -75.9 -40.7 1.8 11.5 23.4 116 152 A T H > S+ 0 0 95 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.945 116.9 43.4 -60.3 -44.2 2.1 14.9 21.6 117 153 A S H X S+ 0 0 14 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.898 113.5 51.0 -69.9 -38.1 5.4 13.8 20.0 118 154 A T H X S+ 0 0 5 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.925 110.1 49.9 -64.9 -44.7 4.0 10.4 19.1 119 155 A K H X S+ 0 0 43 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.907 108.0 53.5 -59.1 -42.0 0.9 11.9 17.5 120 156 A A H X S+ 0 0 49 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.915 110.6 47.3 -59.3 -42.2 3.1 14.3 15.5 121 157 A N H X S+ 0 0 32 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.917 111.9 49.5 -64.2 -43.7 5.0 11.2 14.2 122 158 A I H X S+ 0 0 4 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.923 112.9 47.5 -60.5 -45.4 1.8 9.3 13.4 123 159 A E H X S+ 0 0 99 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.885 111.0 51.3 -64.9 -40.0 0.4 12.4 11.5 124 160 A S H X S+ 0 0 18 -4,-2.3 4,-0.6 -5,-0.2 -2,-0.2 0.957 113.9 43.5 -61.4 -51.0 3.7 12.8 9.6 125 161 A L H >< S+ 0 0 4 -4,-2.6 3,-1.6 1,-0.2 4,-0.3 0.925 111.5 54.5 -59.7 -44.4 3.7 9.2 8.5 126 162 A A H >< S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.3 8,-0.3 0.860 98.8 63.1 -60.1 -34.5 -0.0 9.2 7.7 127 163 A S H >< S+ 0 0 32 -4,-1.9 3,-1.8 1,-0.3 -1,-0.3 0.693 84.5 75.4 -66.3 -17.5 0.5 12.2 5.4 128 164 A A T << S+ 0 0 0 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.750 94.2 54.2 -62.6 -20.2 2.8 10.1 3.2 129 165 A F T <> S- 0 0 5 -3,-1.9 4,-1.1 1,-0.3 3,-0.5 0.086 112.0-125.4-104.3 23.0 -0.5 8.5 2.0 130 166 A G H <> - 0 0 25 -3,-1.8 4,-2.5 1,-0.2 -1,-0.3 -0.197 59.8 -28.6 72.6-162.8 -2.1 11.9 1.0 131 167 A E H > S+ 0 0 134 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.847 136.2 59.8 -58.1 -35.6 -5.4 13.3 2.2 132 168 A T H > S+ 0 0 90 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.943 109.8 42.0 -59.8 -47.7 -6.7 9.7 2.7 133 169 A G H X S+ 0 0 0 -4,-1.1 4,-2.4 2,-0.2 -6,-0.2 0.930 115.4 49.5 -62.0 -47.0 -4.0 8.9 5.2 134 170 A T H X S+ 0 0 35 -4,-2.5 4,-2.0 -8,-0.3 -2,-0.2 0.924 113.0 46.4 -61.2 -45.1 -4.2 12.3 6.9 135 171 A Q H X S+ 0 0 74 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.938 112.2 49.3 -63.1 -48.7 -8.0 12.1 7.3 136 172 A K H X S+ 0 0 71 -4,-2.2 4,-2.5 -5,-0.3 5,-0.2 0.901 110.3 51.9 -60.4 -40.4 -8.0 8.5 8.6 137 173 A A H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.904 106.9 52.8 -64.1 -40.2 -5.3 9.3 11.1 138 174 A K H X S+ 0 0 131 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.927 111.3 47.4 -58.6 -44.5 -7.4 12.3 12.4 139 175 A E H X S+ 0 0 94 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.923 116.2 42.5 -61.5 -48.2 -10.4 10.0 12.9 140 176 A E H X S+ 0 0 44 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.891 112.2 53.1 -70.9 -37.9 -8.4 7.3 14.7 141 177 A L H X S+ 0 0 5 -4,-3.0 4,-2.9 -5,-0.2 -1,-0.2 0.858 103.0 59.1 -65.4 -33.5 -6.4 9.7 16.8 142 178 A A H X S+ 0 0 59 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.908 106.6 47.5 -61.4 -40.9 -9.6 11.3 18.1 143 179 A K H X S+ 0 0 126 -4,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.908 112.1 49.4 -66.4 -41.2 -10.7 8.0 19.4 144 180 A L H X S+ 0 0 11 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.916 108.5 53.5 -63.8 -41.8 -7.4 7.4 21.0 145 181 A D H X S+ 0 0 58 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.897 110.5 47.3 -59.0 -41.0 -7.4 10.8 22.6 146 182 A E H X S+ 0 0 92 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.922 112.3 48.4 -67.4 -43.5 -10.8 10.1 24.1 147 183 A S H X S+ 0 0 44 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.903 111.7 51.0 -62.0 -42.5 -9.8 6.7 25.5 148 184 A I H X S+ 0 0 14 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.930 109.1 50.1 -60.3 -45.4 -6.6 8.2 27.0 149 185 A Q H X S+ 0 0 119 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.902 108.5 52.9 -62.3 -40.9 -8.6 10.9 28.7 150 186 A E H X S+ 0 0 97 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.912 112.8 44.0 -61.7 -42.0 -11.0 8.3 30.2 151 187 A V H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.935 113.2 51.1 -65.2 -47.8 -8.1 6.4 31.6 152 188 A A H X S+ 0 0 10 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.891 108.0 53.0 -58.8 -42.2 -6.3 9.5 32.9 153 189 A T H X S+ 0 0 76 -4,-2.7 4,-0.9 -5,-0.2 -1,-0.2 0.913 109.5 48.5 -60.8 -43.9 -9.5 10.7 34.6 154 190 A K H >< S+ 0 0 111 -4,-1.7 3,-0.9 -5,-0.2 4,-0.3 0.943 113.1 47.2 -61.2 -46.4 -9.9 7.4 36.4 155 191 A N H >< S+ 0 0 11 -4,-2.6 3,-1.8 33,-0.3 -2,-0.2 0.895 106.4 58.1 -63.2 -36.7 -6.2 7.4 37.5 156 192 A E H 3< S+ 0 0 115 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.713 102.1 56.2 -67.2 -17.8 -6.5 11.0 38.7 157 193 A S T << S+ 0 0 103 -4,-0.9 -1,-0.3 -3,-0.9 2,-0.2 0.501 104.0 68.6 -87.5 -3.9 -9.3 9.9 41.0 158 194 A S < - 0 0 42 -3,-1.8 -3,-0.0 -4,-0.3 0, 0.0 -0.622 62.2-154.8-110.4 164.3 -7.0 7.3 42.7 159 195 A D + 0 0 112 -2,-0.2 -1,-0.1 2,-0.1 -3,-0.1 0.232 51.2 131.6-117.9 12.7 -3.9 7.6 44.9 160 196 A K - 0 0 79 -5,-0.1 31,-0.6 57,-0.1 2,-0.4 -0.345 48.2-141.8 -66.7 142.2 -2.4 4.2 43.9 161 197 A K E -g 191 0D 51 54,-0.2 56,-2.1 29,-0.1 57,-1.6 -0.881 12.4-150.7-108.5 138.2 1.3 4.1 43.0 162 198 A A E -gh 192 218D 1 29,-3.3 31,-0.6 -2,-0.4 2,-0.4 -0.928 6.1-160.7-117.5 127.6 2.5 1.9 40.2 163 199 A L E - h 0 219D 2 55,-2.5 57,-2.8 -2,-0.5 2,-0.5 -0.844 10.5-154.6-100.8 140.0 5.9 0.3 39.7 164 200 A A E +Ih 175 220D 0 11,-0.6 11,-2.3 -2,-0.4 2,-0.3 -0.971 16.5 178.1-118.1 124.6 7.0 -0.9 36.3 165 201 A I E -Ih 174 221D 1 55,-2.8 57,-2.5 -2,-0.5 2,-0.5 -0.934 24.7-143.2-127.1 149.8 9.5 -3.7 35.8 166 202 A L E -Ih 173 222D 6 7,-2.8 7,-2.4 -2,-0.3 2,-0.5 -0.919 18.5-152.1-100.1 134.4 11.1 -5.6 33.0 167 203 A L E +Ih 172 223D 4 55,-2.5 57,-2.0 -2,-0.5 58,-1.0 -0.951 20.2 171.5-109.6 124.6 11.7 -9.2 33.7 168 204 A N E > -I 171 0D 42 3,-2.6 3,-2.1 -2,-0.5 -2,-0.0 -0.918 67.6 -32.4-140.5 109.8 14.7 -10.8 31.9 169 205 A E T 3 S- 0 0 93 -2,-0.4 3,-0.1 1,-0.3 66,-0.1 0.864 126.3 -44.6 48.9 42.6 16.0 -14.3 32.5 170 206 A G T 3 S+ 0 0 30 1,-0.3 2,-0.4 62,-0.1 -1,-0.3 0.454 115.2 117.0 85.0 0.9 15.1 -14.0 36.2 171 207 A K E < -I 168 0D 139 -3,-2.1 -3,-2.6 34,-0.0 2,-0.4 -0.872 53.0-147.6-104.3 135.1 16.4 -10.4 36.6 172 208 A M E -I 167 0D 8 34,-0.5 34,-2.0 -2,-0.4 2,-0.4 -0.863 13.6-175.3-102.9 135.1 14.1 -7.5 37.5 173 209 A A E -IJ 166 205D 14 -7,-2.4 -7,-2.8 -2,-0.4 2,-0.3 -0.996 14.1-144.4-129.8 129.6 14.7 -4.0 36.3 174 210 A A E -IJ 165 204D 0 30,-3.1 30,-2.2 -2,-0.4 2,-0.3 -0.688 11.1-157.1 -97.0 147.9 12.7 -1.0 37.3 175 211 A F E -I 164 0D 4 -11,-2.3 -11,-0.6 -2,-0.3 4,-0.1 -0.940 9.0-134.0-126.6 144.4 11.8 1.9 35.1 176 212 A G - 0 0 16 -2,-0.3 5,-0.3 21,-0.3 9,-0.1 -0.126 35.8 -88.7 -91.7-175.1 10.8 5.5 35.9 177 213 A A S S+ 0 0 26 1,-0.2 2,-0.7 16,-0.1 9,-0.5 0.809 123.7 48.7 -65.9 -33.1 8.1 7.9 34.7 178 214 A K S S+ 0 0 105 7,-0.1 -2,-0.3 8,-0.1 2,-0.2 -0.884 95.5 93.3-108.1 96.6 10.3 9.1 31.9 179 215 A S S > S- 0 0 5 -2,-0.7 3,-2.1 -68,-0.2 4,-0.1 -0.871 98.2 -59.7-165.0-174.6 11.5 5.9 30.3 180 216 A R T 3 S+ 0 0 65 1,-0.3 3,-0.2 -2,-0.2 -3,-0.1 0.666 135.0 52.7 -62.9 -11.7 10.6 3.4 27.6 181 217 A F T >> + 0 0 4 -5,-0.3 3,-1.6 1,-0.2 4,-0.6 0.058 68.3 127.2-114.2 28.5 7.3 3.0 29.4 182 218 A S H <>> + 0 0 2 -3,-2.1 4,-2.4 1,-0.3 5,-1.0 0.734 59.3 75.0 -47.8 -32.0 6.4 6.8 29.6 183 219 A F H 34>S+ 0 0 3 -3,-0.2 5,-2.5 1,-0.2 4,-0.5 0.890 93.6 53.3 -54.4 -38.7 3.0 6.1 28.0 184 220 A L H <45S+ 0 0 0 -3,-1.6 6,-2.5 3,-0.2 -1,-0.2 0.873 124.3 22.2 -61.9 -40.9 1.9 4.6 31.3 185 221 A Y H X5S+ 0 0 11 -4,-0.6 4,-0.6 -3,-0.4 -2,-0.2 0.898 127.9 38.9 -99.0 -53.3 2.9 7.7 33.4 186 222 A Q T <5S+ 0 0 51 -4,-2.4 -3,-0.2 -9,-0.5 -2,-0.1 0.897 131.9 22.7 -68.1 -41.0 3.1 10.8 31.2 187 223 A T T 4 - 0 0 58 -2,-2.8 3,-1.2 1,-0.1 -20,-0.2 -0.806 60.8-122.6-105.7 154.4 18.5 3.7 31.5 201 237 A R T 3 S+ 0 0 90 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.679 117.6 46.3 -68.5 -18.3 16.9 1.8 28.6 202 238 A H T 3 S- 0 0 114 1,-0.3 -1,-0.3 -28,-0.0 -36,-0.1 0.350 109.7-138.3-102.0 2.3 17.5 -1.4 30.5 203 239 A G < - 0 0 15 -3,-1.2 2,-0.5 -5,-0.1 -1,-0.3 -0.139 29.6 -59.2 73.1-169.9 16.3 0.1 33.8 204 240 A Q E -J 174 0D 67 -30,-2.2 -30,-3.1 -4,-0.1 -1,-0.1 -0.963 52.1-114.0-116.0 127.2 17.8 -0.3 37.3 205 241 A E E -J 173 0D 133 -2,-0.5 2,-0.4 -32,-0.3 -32,-0.3 -0.318 36.2-168.3 -59.3 135.3 18.2 -3.8 38.8 206 242 A V - 0 0 4 -34,-2.0 -34,-0.5 4,-0.0 2,-0.1 -0.977 10.5-141.8-127.0 145.0 16.0 -4.3 41.9 207 243 A S > - 0 0 47 -2,-0.4 4,-1.8 1,-0.1 5,-0.1 -0.382 33.9-102.1 -89.3 175.3 16.0 -7.0 44.5 208 244 A F H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.908 125.1 53.4 -63.5 -41.5 13.0 -8.6 46.2 209 245 A E H > S+ 0 0 81 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.891 105.2 55.0 -61.0 -39.2 13.7 -6.5 49.2 210 246 A S H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.924 107.8 48.1 -58.8 -46.5 13.6 -3.3 47.0 211 247 A V H X S+ 0 0 1 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.934 111.3 50.6 -63.3 -43.6 10.2 -4.2 45.7 212 248 A K H < S+ 0 0 107 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.919 111.6 48.1 -55.5 -47.4 8.9 -4.8 49.2 213 249 A E H < S+ 0 0 131 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.880 108.4 52.8 -65.9 -37.8 10.3 -1.5 50.4 214 250 A I H < S- 0 0 27 -4,-2.4 -20,-0.2 -5,-0.2 -1,-0.2 0.893 90.2-163.1 -62.9 -40.3 8.8 0.4 47.4 215 251 A N < - 0 0 90 -4,-2.3 -54,-0.2 -5,-0.2 -3,-0.1 0.926 10.9-161.2 63.0 50.5 5.4 -1.2 48.4 216 252 A P - 0 0 0 0, 0.0 33,-1.8 0, 0.0 34,-0.2 -0.308 24.3-153.3 -70.7 150.8 3.6 -0.6 45.1 217 253 A D S S+ 0 0 43 -56,-2.1 2,-0.4 1,-0.2 -55,-0.2 0.668 89.7 29.7 -88.5 -24.6 -0.2 -0.7 44.7 218 254 A I E -h 162 0D 5 -57,-1.6 -55,-2.5 2,-0.0 2,-0.5 -0.991 69.7-162.2-134.5 137.1 0.1 -1.7 41.0 219 255 A L E -hk 163 255D 1 35,-2.8 37,-3.0 -2,-0.4 2,-0.4 -0.935 4.4-162.5-125.3 105.1 2.9 -3.7 39.5 220 256 A F E -hk 164 256D 0 -57,-2.8 -55,-2.8 -2,-0.5 2,-0.5 -0.758 11.9-165.8 -83.2 129.8 3.3 -3.5 35.7 221 257 A V E -hk 165 257D 3 35,-2.8 37,-1.7 -2,-0.4 2,-0.6 -0.982 15.2-171.8-123.9 125.2 5.4 -6.4 34.3 222 258 A I E -h 166 0D 0 -57,-2.5 -55,-2.5 -2,-0.5 2,-1.0 -0.968 16.5-151.7-110.6 114.3 6.9 -6.6 30.9 223 259 A N E > -h 167 0D 18 -2,-0.6 4,-2.0 35,-0.5 -55,-0.2 -0.740 13.3-176.2 -90.8 99.8 8.5 -10.1 30.4 224 260 A R H > S+ 0 0 68 -57,-2.0 4,-1.9 -2,-1.0 6,-0.2 0.871 80.5 59.8 -62.3 -38.6 11.3 -9.6 27.9 225 261 A T H 4>S+ 0 0 1 -58,-1.0 5,-2.9 1,-0.2 4,-0.5 0.938 109.6 41.5 -59.3 -47.6 12.1 -13.3 27.8 226 262 A L H >45S+ 0 0 90 1,-0.2 3,-0.8 3,-0.2 -1,-0.2 0.878 109.9 60.5 -65.1 -36.5 8.6 -14.1 26.6 227 263 A A H 3<5S+ 0 0 7 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.857 113.1 35.1 -60.5 -37.0 8.6 -11.2 24.2 228 264 A I T 3<5S- 0 0 63 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.349 117.6-105.8-103.6 5.0 11.6 -12.5 22.3 229 265 A G T < 5 + 0 0 68 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.738 66.9 150.4 81.4 25.8 10.7 -16.2 22.5 230 266 A G < - 0 0 33 -5,-2.9 2,-0.8 -6,-0.2 -1,-0.1 -0.166 60.5 -76.1 -81.2 177.0 13.3 -17.2 25.1 231 267 A D > - 0 0 101 1,-0.2 3,-0.8 2,-0.0 -1,-0.1 -0.680 40.7-164.7 -76.0 112.6 13.2 -19.9 27.7 232 268 A N G > + 0 0 47 -2,-0.8 3,-2.0 1,-0.2 4,-0.3 0.496 66.5 97.3 -79.9 -1.8 10.9 -18.5 30.4 233 269 A S G > S+ 0 0 65 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.820 73.6 64.1 -56.7 -33.7 12.0 -21.1 32.9 234 270 A S G < S+ 0 0 45 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.1 0.690 99.0 54.6 -66.5 -18.3 14.5 -18.6 34.4 235 271 A N G X S+ 0 0 8 -3,-2.0 3,-1.9 -4,-0.1 4,-0.5 0.479 78.9 126.5 -91.7 -3.0 11.6 -16.4 35.5 236 272 A D T < S+ 0 0 115 -3,-1.6 -3,-0.0 -4,-0.3 0, 0.0 -0.308 80.5 4.4 -58.4 129.3 9.8 -19.2 37.3 237 273 A G T 3 S+ 0 0 44 1,-0.1 4,-0.3 4,-0.0 -1,-0.3 0.432 96.2 111.6 81.4 -0.3 9.0 -18.2 40.9 238 274 A V S X S+ 0 0 12 -3,-1.9 3,-1.5 2,-0.2 6,-0.2 0.984 84.5 35.9 -71.2 -56.4 10.2 -14.6 40.6 239 275 A L T 3 S+ 0 0 18 -4,-0.5 -1,-0.2 1,-0.3 -3,-0.1 0.760 114.6 60.7 -67.4 -21.3 6.8 -12.8 40.9 240 276 A E T 3 S+ 0 0 132 4,-0.1 -1,-0.3 5,-0.1 -2,-0.2 0.489 73.8 125.3 -84.9 -5.1 5.8 -15.6 43.4 241 277 A N S X> S- 0 0 47 -3,-1.5 4,-3.0 -4,-0.3 3,-1.4 -0.309 73.8-118.8 -52.4 136.5 8.6 -14.6 45.8 242 278 A A H 3> S+ 0 0 69 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.808 112.3 57.5 -52.8 -34.1 6.9 -13.9 49.2 243 279 A L H 34 S+ 0 0 50 2,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.810 114.6 37.1 -72.1 -27.7 8.2 -10.4 49.2 244 280 A I H X4 S+ 0 0 0 -3,-1.4 3,-1.7 -6,-0.2 6,-0.5 0.863 113.4 56.4 -84.7 -39.8 6.4 -9.6 45.9 245 281 A A H 3< S+ 0 0 34 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.714 105.1 54.7 -64.5 -19.8 3.4 -11.8 46.8 246 282 A E T 3< S+ 0 0 123 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.1 0.343 82.4 108.8 -98.0 4.3 2.9 -9.7 50.0 247 283 A T S <> S- 0 0 3 -3,-1.7 4,-2.4 1,-0.1 5,-0.3 -0.471 82.8-117.5 -70.4 154.2 2.8 -6.3 48.2 248 284 A P H > S+ 0 0 32 0, 0.0 4,-2.2 0, 0.0 6,-0.2 0.881 116.3 61.0 -60.9 -31.1 -0.6 -4.6 48.1 249 285 A A H 4>S+ 0 0 0 -33,-1.8 5,-3.3 2,-0.2 6,-0.3 0.946 109.0 40.2 -57.2 -51.0 -0.3 -5.0 44.3 250 286 A A H >45S+ 0 0 25 -6,-0.5 3,-1.6 -34,-0.2 5,-0.2 0.955 116.9 47.7 -63.7 -48.7 -0.1 -8.8 44.5 251 287 A K H 3<5S+ 0 0 131 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.818 113.2 49.2 -65.4 -31.5 -2.8 -9.2 47.2 252 288 A N T 3<5S- 0 0 87 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.234 117.8-105.3 -95.1 10.1 -5.2 -6.9 45.4 253 289 A G T < 5S+ 0 0 57 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.836 82.9 124.0 72.0 36.3 -5.0 -8.4 42.0 254 290 A K < + 0 0 41 -5,-3.3 -35,-2.8 -6,-0.2 2,-0.8 -0.026 22.2 118.3-122.9 29.2 -2.9 -5.7 40.4 255 291 A I E -k 219 0D 47 -6,-0.3 2,-0.7 -5,-0.2 -35,-0.2 -0.883 53.7-160.4 -84.5 113.3 0.1 -7.5 39.1 256 292 A I E -k 220 0D 3 -37,-3.0 -35,-2.8 -2,-0.8 2,-1.3 -0.867 12.5-158.3-107.1 107.6 -0.4 -6.6 35.5 257 293 A Q E -k 221 0D 135 -2,-0.7 -35,-0.2 -37,-0.2 -37,-0.1 -0.717 19.1-150.9 -87.4 95.3 1.3 -8.9 33.0 258 294 A L - 0 0 2 -37,-1.7 -35,-0.5 -2,-1.3 18,-0.1 -0.337 35.3 -86.4 -67.2 142.3 1.4 -6.6 29.9 259 295 A T > - 0 0 59 1,-0.1 4,-2.1 -37,-0.1 5,-0.3 -0.298 47.0-145.8 -53.0 117.5 1.4 -8.4 26.6 260 296 A P H > S+ 0 0 31 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.912 87.0 40.4 -65.2 -49.8 5.1 -9.0 26.2 261 297 A D H >>S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 5,-0.5 0.909 115.0 52.6 -66.5 -41.2 5.8 -8.7 22.5 262 298 A L H >5S+ 0 0 7 1,-0.2 4,-1.3 3,-0.2 -1,-0.2 0.939 117.9 36.1 -53.6 -51.5 3.5 -5.7 22.0 263 299 A W H <5S+ 0 0 13 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.813 123.5 40.6 -80.1 -31.3 5.1 -3.7 24.8 264 300 A Y H <5S+ 0 0 11 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.863 127.3 27.4 -86.2 -35.7 8.7 -4.7 24.3 265 301 A L H <5S+ 0 0 11 -4,-2.4 -236,-0.4 -5,-0.3 -3,-0.2 0.585 123.0 26.1-103.7 -14.4 8.9 -4.8 20.5 266 302 A S << + 0 0 24 -4,-1.3 2,-0.1 -5,-0.5 -4,-0.0 -0.441 54.1 125.5-135.4-157.3 6.4 -2.2 19.4 267 303 A G + 0 0 16 -2,-0.2 -237,-0.3 0, 0.0 -236,-0.1 -0.371 48.2 77.4 113.7 159.7 4.4 0.9 20.4 268 304 A G S S+ 0 0 25 1,-0.3 2,-0.2 -2,-0.1 -146,-0.1 0.436 76.1 103.6 87.0 -0.3 4.0 4.3 18.9 269 305 A G S > S- 0 0 0 1,-0.1 4,-2.4 -235,-0.0 5,-0.3 -0.632 81.9-107.2-111.5 169.2 1.4 3.3 16.3 270 306 A L H > S+ 0 0 7 -240,-0.3 4,-1.5 -2,-0.2 -236,-0.1 0.930 118.7 35.1 -59.0 -47.3 -2.3 3.6 15.8 271 307 A E H > S+ 0 0 40 -241,-0.3 4,-2.6 2,-0.2 5,-0.2 0.910 117.0 51.6 -77.6 -44.5 -3.0 -0.1 16.5 272 308 A S H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.923 110.5 50.0 -59.3 -40.4 -0.3 -0.7 19.1 273 309 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.935 110.8 50.3 -63.4 -44.3 -1.5 2.4 21.1 274 310 A K H X S+ 0 0 93 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.2 0.927 113.2 45.1 -55.9 -48.1 -5.1 1.1 21.0 275 311 A L H X S+ 0 0 38 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.855 109.7 55.5 -67.9 -36.3 -4.1 -2.4 22.2 276 312 A M H X S+ 0 0 8 -4,-2.5 4,-1.1 -5,-0.2 -1,-0.2 0.914 107.7 49.0 -62.0 -43.4 -1.9 -1.0 24.9 277 313 A I H >X S+ 0 0 6 -4,-2.3 3,-0.6 1,-0.2 4,-0.6 0.924 110.7 50.8 -63.0 -43.3 -4.8 1.0 26.3 278 314 A E H >< S+ 0 0 112 -4,-2.0 3,-1.1 1,-0.2 4,-0.4 0.906 105.7 57.8 -57.4 -40.8 -7.0 -2.2 26.2 279 315 A D H 3< S+ 0 0 17 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.766 105.7 48.5 -65.0 -26.9 -4.2 -4.0 28.1 280 316 A I H X< S+ 0 0 0 -4,-1.1 3,-1.9 -3,-0.6 4,-0.4 0.480 80.4 94.0 -97.4 1.2 -4.3 -1.7 31.0 281 317 A Q G X< S+ 0 0 80 -3,-1.1 3,-1.6 -4,-0.6 -1,-0.2 0.885 82.2 58.8 -57.7 -37.0 -8.0 -1.5 31.7 282 318 A K G 3 S+ 0 0 123 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.593 97.7 61.3 -70.1 -10.2 -7.6 -4.3 34.2 283 319 A A G < 0 0 2 -3,-1.9 -1,-0.3 -65,-0.0 -2,-0.2 0.510 360.0 360.0 -87.5 -8.2 -5.2 -2.1 36.2 284 320 A L < 0 0 61 -3,-1.6 -133,-0.0 -4,-0.4 -129,-0.0 -0.309 360.0 360.0 -87.7 360.0 -7.9 0.6 36.8