==== 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 TRANSPORT PROTEIN 10-MAY-07 2PVU . COMPND 2 MOLECULE: ARTJ; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR A.VAHEDI-FARIDI,F.SCHEFFEL,V.ECKEY,W.SAENGER,E.SCHNEIDER . 236 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11921.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 11.9 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 12 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 0 0 1 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 PARALLEL BRIDGES PER LADDER . 3 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 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 17 A G 0 0 137 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.5 7.6 5.7 -18.1 2 18 A A - 0 0 97 2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.182 360.0 -14.2 -75.4 157.9 6.8 9.0 -16.4 3 19 A T - 0 0 123 3,-0.0 2,-0.1 0, 0.0 0, 0.0 0.863 12.8-167.5 77.2 139.9 4.6 10.2 -13.5 4 20 A K - 0 0 130 2,-0.1 2,-0.1 40,-0.0 3,-0.0 0.562 18.7-171.9 -84.2 -90.2 1.9 9.9 -11.0 5 21 A K - 0 0 174 1,-0.1 2,-0.3 -2,-0.1 39,-0.2 0.753 10.1-159.8 -90.1 155.5 1.5 12.7 -9.9 6 22 A K - 0 0 52 -2,-0.1 39,-0.3 37,-0.1 2,-0.3 -0.640 27.7-103.0 -91.3 151.7 -0.9 12.2 -7.0 7 23 A V E -a 45 0A 15 37,-3.0 39,-2.3 -2,-0.3 2,-0.7 -0.556 36.7-133.9 -65.7 132.7 -3.1 14.9 -5.5 8 24 A V E -a 46 0A 35 -2,-0.3 57,-2.1 37,-0.2 58,-1.3 -0.839 24.5-171.1 -96.8 115.6 -1.4 15.9 -2.3 9 25 A V E -ab 47 66A 0 37,-3.0 39,-2.8 -2,-0.7 2,-0.3 -0.909 4.6-157.5-112.3 122.9 -4.0 16.1 0.5 10 26 A G E +ab 48 67A 0 56,-2.8 58,-1.9 -2,-0.5 2,-0.3 -0.706 15.8 166.0 -98.3 157.2 -3.0 17.6 3.9 11 27 A T E -a 49 0A 1 37,-1.8 39,-2.0 -2,-0.3 40,-1.7 -0.963 40.5-122.7-157.6 164.1 -4.6 17.0 7.4 12 28 A D - 0 0 4 -2,-0.3 2,-2.5 38,-0.2 7,-0.1 -0.889 29.7-161.5-109.7 89.3 -4.0 17.6 11.1 13 29 A A + 0 0 5 -2,-0.7 8,-0.3 1,-0.2 7,-0.1 -0.360 68.3 87.1 -83.0 68.6 -4.2 14.0 12.3 14 30 A A + 0 0 21 -2,-2.5 128,-0.6 6,-0.2 127,-0.4 -0.332 63.7 90.7-146.9 48.4 -4.8 14.8 16.0 15 31 A F B >> S-E 19 0B 3 4,-2.9 3,-1.8 126,-0.1 4,-1.4 -0.389 72.3-138.9-153.4 56.4 -8.6 15.2 15.9 16 32 A A T 34 S+ 0 0 32 1,-0.3 150,-0.2 2,-0.2 149,-0.1 -0.421 80.9 25.2 -60.8 139.0 -10.4 11.9 16.6 17 33 A P T 34 S+ 0 0 0 0, 0.0 12,-2.8 0, 0.0 -1,-0.3 -0.972 127.5 46.4 -93.6 5.9 -12.8 10.7 15.3 18 34 A F T <4 S- 0 0 0 -3,-1.8 12,-1.4 1,-0.3 13,-1.1 0.940 131.0 -14.6 -77.0 -46.0 -12.2 12.7 12.0 19 35 A E B < S+E 15 0B 0 -4,-1.4 -4,-2.9 9,-0.2 -1,-0.3 -0.928 76.5 140.0-157.8 132.9 -8.5 12.0 11.7 20 36 A Y E -F 27 0C 52 7,-2.2 7,-2.9 -2,-0.3 2,-0.4 -0.933 48.3 -91.2-159.8 172.6 -6.0 10.6 14.2 21 37 A M E +F 26 0C 85 -8,-0.3 2,-0.3 -2,-0.3 5,-0.2 -0.819 37.2 169.8 -97.8 138.5 -3.0 8.2 14.3 22 38 A Q E > S-F 25 0C 104 3,-2.6 3,-1.6 -2,-0.4 -2,-0.1 -0.914 74.5 -16.9-148.0 117.7 -3.4 4.6 15.1 23 39 A K T 3 S- 0 0 194 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.830 126.5 -53.7 56.6 41.3 -0.5 2.2 14.7 24 40 A G T 3 S+ 0 0 73 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.490 118.8 105.5 77.0 3.4 1.4 4.6 12.4 25 41 A K E < S-F 22 0C 141 -3,-1.6 -3,-2.6 0, 0.0 2,-0.6 -0.830 73.8-120.4-113.0 154.1 -1.5 5.0 10.0 26 42 A I E +F 21 0C 36 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.851 44.2 171.0 -92.5 122.9 -3.9 8.0 9.7 27 43 A V E +F 20 0C 27 -7,-2.9 -7,-2.2 -2,-0.6 2,-0.2 -0.841 12.3 90.3-127.2 165.0 -7.5 6.8 10.4 28 44 A G S > S- 0 0 0 -2,-0.3 4,-2.5 -9,-0.2 -10,-0.3 -0.729 78.3 -61.1 139.2 176.8 -10.9 8.4 10.9 29 45 A F H > S+ 0 0 0 -12,-2.8 4,-2.6 1,-0.2 5,-0.2 0.914 129.5 48.1 -59.4 -46.2 -14.1 9.5 9.4 30 46 A D H > S+ 0 0 0 -12,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.867 110.6 54.6 -63.3 -36.7 -12.5 12.2 7.2 31 47 A V H > S+ 0 0 22 -13,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.938 111.7 41.6 -59.9 -48.9 -10.0 9.5 6.1 32 48 A D H X S+ 0 0 42 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.876 115.6 50.4 -69.9 -39.0 -12.6 7.0 4.9 33 49 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 5,-0.2 0.951 108.5 52.4 -65.2 -45.7 -14.7 9.8 3.3 34 50 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.923 108.4 51.2 -54.5 -44.5 -11.7 11.1 1.4 35 51 A D H X S+ 0 0 50 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.916 112.4 45.5 -61.5 -44.9 -10.9 7.7 0.0 36 52 A A H X S+ 0 0 14 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.926 115.9 47.3 -59.4 -47.6 -14.5 7.2 -1.2 37 53 A V H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.961 113.5 44.8 -62.5 -53.9 -14.6 10.7 -2.7 38 54 A M H X>S+ 0 0 1 -4,-3.1 5,-2.6 1,-0.2 4,-0.5 0.851 113.5 51.8 -62.9 -32.1 -11.2 10.5 -4.5 39 55 A K H ><5S+ 0 0 145 -4,-1.9 3,-1.0 -5,-0.3 -1,-0.2 0.930 110.6 47.2 -67.0 -43.2 -12.0 7.1 -5.8 40 56 A A H 3<5S+ 0 0 52 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.831 112.6 51.7 -64.1 -31.1 -15.4 8.3 -7.2 41 57 A A H 3<5S- 0 0 18 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.548 110.1-124.0 -83.3 -8.2 -13.5 11.3 -8.6 42 58 A G T <<5 + 0 0 70 -3,-1.0 2,-0.5 -4,-0.5 -3,-0.2 0.774 63.6 143.0 66.0 30.9 -10.9 9.0 -10.4 43 59 A L < - 0 0 28 -5,-2.6 2,-0.2 -6,-0.1 -1,-0.2 -0.907 46.8-143.4-109.7 119.9 -8.1 10.9 -8.6 44 60 A D + 0 0 104 -2,-0.5 -37,-3.0 -39,-0.2 2,-0.3 -0.587 35.9 168.8 -72.8 141.8 -5.0 9.3 -7.2 45 61 A Y E -a 7 0A 46 -39,-0.3 2,-0.4 -2,-0.2 -37,-0.2 -0.932 34.2-142.8-153.5 164.5 -3.9 10.9 -4.0 46 62 A E E -a 8 0A 52 -39,-2.3 -37,-3.0 -2,-0.3 2,-0.5 -0.990 18.1-144.7-131.5 138.3 -1.7 10.8 -0.9 47 63 A L E -a 9 0A 38 -2,-0.4 2,-0.4 -39,-0.2 -37,-0.2 -0.939 20.3-172.2-108.8 124.4 -2.8 11.9 2.6 48 64 A K E -a 10 0A 94 -39,-2.8 -37,-1.8 -2,-0.5 2,-1.3 -0.959 25.4-135.5-121.5 132.9 -0.2 13.6 4.7 49 65 A N E +a 11 0A 71 -2,-0.4 -37,-0.2 -39,-0.2 -39,-0.1 -0.698 41.8 153.7 -84.2 98.3 -0.3 14.6 8.4 50 66 A I - 0 0 52 -39,-2.0 -38,-0.2 -2,-1.3 -1,-0.2 0.585 50.4-110.1-105.3 -8.7 1.2 18.1 8.2 51 67 A G > - 0 0 15 -40,-1.7 4,-1.5 -3,-0.2 -1,-0.2 -0.102 31.4 -82.7 95.0 161.3 -0.4 19.8 11.2 52 68 A W H > S+ 0 0 0 87,-0.5 4,-1.6 2,-0.2 5,-0.2 0.956 121.2 37.7 -76.7 -57.1 -3.0 22.5 11.4 53 69 A D H > S+ 0 0 49 86,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.938 118.2 51.5 -65.9 -41.4 -1.2 25.8 10.9 54 70 A P H > S+ 0 0 60 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.846 102.6 61.9 -56.3 -34.6 1.2 24.3 8.2 55 71 A L H X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.932 107.8 41.9 -58.8 -46.1 -1.9 22.9 6.4 56 72 A F H X S+ 0 0 25 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.889 114.5 50.7 -71.5 -38.2 -3.2 26.5 5.8 57 73 A A H X S+ 0 0 59 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.904 111.7 48.6 -60.5 -42.3 0.3 27.8 4.9 58 74 A S H X>S+ 0 0 20 -4,-2.7 6,-1.8 2,-0.2 5,-1.1 0.735 107.4 54.3 -73.9 -28.5 0.7 24.9 2.4 59 75 A L H <5S+ 0 0 1 -4,-1.8 3,-0.4 3,-0.2 -1,-0.2 0.896 108.2 51.2 -67.7 -41.0 -2.7 25.5 0.8 60 76 A Q H <5S+ 0 0 130 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.905 115.0 39.9 -63.7 -42.6 -1.6 29.1 0.3 61 77 A S H <5S- 0 0 80 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.576 109.3-125.9 -77.2 -10.8 1.7 28.2 -1.4 62 78 A K T <5S+ 0 0 141 -4,-0.6 -3,-0.2 -3,-0.4 -4,-0.1 0.596 74.6 128.2 65.0 19.8 -0.1 25.3 -3.2 63 79 A E S - 0 0 27 -2,-0.5 4,-2.0 1,-0.1 5,-0.2 -0.966 44.3-121.1-137.9 157.3 -16.4 30.3 6.9 75 91 A D H > S+ 0 0 129 -2,-0.3 4,-0.6 1,-0.2 -1,-0.1 0.894 114.0 51.8 -62.4 -39.5 -16.8 33.5 5.1 76 92 A E H >4 S+ 0 0 138 1,-0.2 3,-1.0 2,-0.2 4,-0.4 0.916 110.1 48.0 -64.2 -43.9 -13.4 34.7 6.2 77 93 A R H >> S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 3,-1.4 0.826 102.1 63.7 -64.5 -32.2 -11.7 31.5 5.0 78 94 A K H 3< S+ 0 0 100 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.656 90.8 68.9 -66.2 -14.9 -13.5 31.7 1.6 79 95 A Q T << S+ 0 0 154 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.811 117.3 20.3 -68.4 -26.9 -11.5 34.9 1.1 80 96 A S T <4 S+ 0 0 60 -3,-1.4 115,-0.7 -4,-0.4 2,-0.3 0.618 128.6 31.5-116.9 -20.9 -8.3 32.9 0.8 81 97 A Y E < -D 194 0A 15 -4,-2.2 2,-0.3 113,-0.2 -1,-0.1 -0.848 67.6-123.4-135.9 165.5 -9.5 29.3 -0.0 82 98 A D E -D 193 0A 37 111,-2.4 111,-2.5 -2,-0.3 2,-0.3 -0.866 26.4-153.1-106.9 151.5 -12.2 27.4 -1.9 83 99 A F E -D 192 0A 14 -2,-0.3 109,-0.2 109,-0.2 2,-0.0 -0.925 12.5-123.1-122.1 151.0 -14.4 24.8 -0.2 84 100 A S - 0 0 4 107,-2.3 3,-0.1 -2,-0.3 117,-0.1 -0.240 53.7 -74.8 -66.9 169.2 -16.3 21.7 -1.4 85 101 A D S S- 0 0 61 115,-0.2 106,-0.4 1,-0.1 -1,-0.2 -0.323 72.9 -79.7 -54.3 153.6 -20.0 21.5 -0.7 86 102 A P + 0 0 33 0, 0.0 104,-0.2 0, 0.0 -1,-0.1 -0.276 44.9 179.6 -66.1 148.2 -20.6 20.7 3.0 87 103 A Y + 0 0 0 102,-2.6 2,-0.3 1,-0.3 103,-0.1 0.349 65.0 22.0-124.7 2.3 -20.1 17.1 4.2 88 104 A F E -H 189 0D 9 101,-0.8 101,-2.0 144,-0.1 2,-0.4 -0.966 61.8-138.8-162.4 150.3 -20.8 17.3 8.0 89 105 A E E +H 188 0D 39 -2,-0.3 2,-0.3 99,-0.2 99,-0.2 -0.969 34.0 154.7-118.7 139.6 -22.7 19.6 10.4 90 106 A A E -H 187 0D 6 97,-3.2 97,-2.6 -2,-0.4 2,-0.3 -0.848 24.8-151.6-146.0 177.1 -21.1 20.4 13.8 91 107 A T - 0 0 28 -2,-0.3 69,-2.5 95,-0.2 2,-0.2 -0.977 29.2-103.3-152.3 156.5 -21.1 23.0 16.6 92 108 A Q E -I 159 0E 2 93,-0.5 88,-0.4 -2,-0.3 2,-0.3 -0.531 41.5-179.2 -71.7 151.6 -18.6 24.1 19.2 93 109 A V E -I 158 0E 0 65,-2.5 65,-1.6 -2,-0.2 2,-0.5 -0.899 28.5-105.8-139.9 173.1 -19.2 22.9 22.7 94 110 A I E -IJ 157 178E 0 84,-2.8 84,-3.2 -2,-0.3 2,-0.5 -0.877 24.4-159.3-105.7 131.3 -17.5 23.3 26.1 95 111 A L E +IJ 156 177E 0 61,-3.3 61,-2.3 -2,-0.5 2,-0.3 -0.945 24.8 157.0-108.9 128.3 -15.4 20.5 27.5 96 112 A V E - J 0 176E 0 80,-2.3 80,-2.7 -2,-0.5 2,-0.2 -0.902 45.6 -91.4-141.0 165.1 -14.8 20.7 31.3 97 113 A K E > - J 0 175E 87 57,-0.4 3,-2.2 -2,-0.3 78,-0.3 -0.558 52.8 -99.9 -72.6 146.6 -14.0 18.4 34.3 98 114 A Q T 3 S+ 0 0 106 76,-2.8 -1,-0.1 1,-0.3 78,-0.0 -0.505 116.7 47.3 -62.9 139.0 -17.0 17.0 36.0 99 115 A G T 3 S+ 0 0 79 1,-0.5 -1,-0.3 -2,-0.1 76,-0.1 0.123 79.5 131.3 107.7 -21.5 -17.3 19.2 39.1 100 116 A S < - 0 0 29 -3,-2.2 -1,-0.5 1,-0.1 -4,-0.1 -0.435 56.6-142.6 -62.1 140.8 -16.9 22.4 37.0 101 117 A P + 0 0 96 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.528 60.5 125.9 -79.6 -3.7 -19.7 24.9 37.9 102 118 A V + 0 0 9 1,-0.2 3,-0.1 5,-0.0 -3,-0.1 -0.342 24.9 164.6 -63.8 126.4 -19.9 25.9 34.2 103 119 A K - 0 0 137 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.583 66.8 -0.6-112.0 -20.5 -23.5 25.7 32.8 104 120 A N S > S- 0 0 46 76,-0.1 3,-1.2 74,-0.1 -1,-0.3 -0.914 85.5 -85.2-160.5 175.8 -23.2 27.8 29.6 105 121 A A G > S+ 0 0 0 -2,-0.3 3,-1.9 1,-0.3 4,-0.1 0.835 120.4 62.6 -65.3 -34.2 -20.6 29.8 27.7 106 122 A L G > S+ 0 0 88 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.751 90.7 67.8 -65.0 -21.9 -21.2 32.9 29.7 107 123 A D G < S+ 0 0 46 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.548 85.0 73.0 -73.8 -5.9 -20.1 31.1 32.8 108 124 A L G X + 0 0 1 -3,-1.9 3,-2.3 -4,-0.2 -1,-0.3 0.412 67.1 128.7 -85.5 -1.2 -16.5 31.0 31.3 109 125 A K T < S+ 0 0 160 -3,-1.4 3,-0.1 1,-0.3 20,-0.0 -0.365 81.2 7.0 -54.9 126.8 -16.2 34.8 31.9 110 126 A G T 3 S+ 0 0 60 1,-0.3 -1,-0.3 -2,-0.1 2,-0.2 0.419 109.0 113.4 79.9 -3.0 -12.9 35.4 33.8 111 127 A K S < S- 0 0 61 -3,-2.3 2,-0.4 1,-0.0 -1,-0.3 -0.602 74.1-104.3 -99.6 163.1 -11.8 31.7 33.4 112 128 A T - 0 0 30 -2,-0.2 42,-1.9 -3,-0.1 43,-1.0 -0.736 36.2-163.0 -91.9 132.3 -9.0 30.3 31.3 113 129 A I E -kl 135 155E 3 21,-2.8 23,-3.2 -2,-0.4 2,-0.4 -0.952 6.9-149.8-119.8 128.7 -10.1 28.7 28.1 114 130 A G E +kl 136 156E 0 41,-3.3 43,-1.9 -2,-0.5 2,-0.3 -0.806 25.7 161.6 -97.0 139.5 -8.0 26.3 26.0 115 131 A V E -k 137 0E 0 21,-2.5 23,-2.4 -2,-0.4 2,-0.4 -0.960 44.2 -99.3-143.5 161.7 -8.5 26.2 22.2 116 132 A Q E > -k 138 0E 4 41,-0.4 3,-0.8 -2,-0.3 6,-0.5 -0.695 55.8 -98.1 -80.5 134.9 -6.6 25.0 19.1 117 133 A N T 3 S+ 0 0 48 21,-3.0 -1,-0.1 -2,-0.4 4,-0.1 -0.250 101.6 9.1 -50.8 140.0 -4.9 27.9 17.4 118 134 A A T 3 S+ 0 0 45 1,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.873 97.8 129.6 56.5 45.7 -6.8 29.4 14.4 119 135 A T S <> S- 0 0 10 -3,-0.8 4,-2.4 1,-0.0 -1,-0.2 -0.790 75.0-109.9-121.9 165.4 -10.1 27.5 14.9 120 136 A T H > S+ 0 0 8 117,-1.7 4,-2.4 -2,-0.3 5,-0.1 0.730 120.5 60.7 -67.9 -19.1 -13.7 28.5 15.1 121 137 A G H > S+ 0 0 0 116,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.924 105.0 46.0 -72.0 -40.9 -13.4 27.6 18.9 122 138 A Q H > S+ 0 0 23 -6,-0.5 4,-2.5 1,-0.2 -2,-0.2 0.927 113.2 52.3 -59.1 -44.7 -10.8 30.2 19.3 123 139 A E H X S+ 0 0 79 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.920 108.3 48.1 -56.7 -48.4 -13.1 32.5 17.3 124 140 A A H X S+ 0 0 17 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.912 111.7 50.7 -62.5 -38.5 -16.1 31.8 19.6 125 141 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 5,-0.4 0.925 113.2 45.4 -66.3 -41.8 -14.0 32.4 22.7 126 142 A E H X S+ 0 0 39 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.884 112.3 51.2 -69.8 -38.0 -12.7 35.8 21.4 127 143 A K H < S+ 0 0 157 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.855 115.4 42.5 -63.3 -39.6 -16.2 36.8 20.2 128 144 A L H < S+ 0 0 52 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.819 136.0 10.9 -75.9 -35.4 -17.6 36.1 23.7 129 145 A F H < S- 0 0 58 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.494 102.7-112.3-126.2 -10.0 -14.8 37.5 25.9 130 146 A G < - 0 0 37 -4,-2.4 2,-0.1 -5,-0.4 -1,-0.1 -0.013 49.2 -56.4 85.0 159.8 -12.5 39.5 23.6 131 147 A K S S+ 0 0 176 -5,-0.1 3,-0.0 -4,-0.1 -5,-0.0 -0.466 78.7 116.8 -69.1 143.7 -8.9 38.7 22.8 132 148 A G S > S- 0 0 32 -2,-0.1 3,-1.6 3,-0.1 -2,-0.0 -0.950 74.8 -72.2 173.5 175.4 -6.5 38.3 25.7 133 149 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.669 112.6 74.0 -59.2 -22.9 -4.2 36.0 27.8 134 150 A H T 3 S+ 0 0 102 -22,-0.1 -21,-2.8 2,-0.1 2,-0.7 0.675 83.4 76.2 -67.0 -15.5 -7.1 34.0 29.3 135 151 A I E < S-k 113 0E 10 -3,-1.6 2,-0.5 -23,-0.2 -21,-0.2 -0.871 74.7-160.7 -96.7 113.9 -7.5 32.3 25.9 136 152 A K E -k 114 0E 84 -23,-3.2 -21,-2.5 -2,-0.7 2,-0.4 -0.878 4.3-153.5-101.9 128.9 -4.7 29.8 25.7 137 153 A K E -k 115 0E 80 -2,-0.5 2,-0.3 -23,-0.2 -21,-0.2 -0.858 11.3-173.7-111.3 133.3 -3.9 28.6 22.1 138 154 A F E -k 116 0E 36 -23,-2.4 -21,-3.0 -2,-0.4 6,-0.0 -0.890 32.7-126.6-125.7 153.4 -2.4 25.2 21.2 139 155 A E S S+ 0 0 83 -2,-0.3 -87,-0.5 -23,-0.2 2,-0.3 0.744 97.3 30.8 -74.7 -21.6 -1.2 23.7 17.9 140 156 A T S > S- 0 0 30 -25,-0.1 4,-1.6 1,-0.1 5,-0.1 -0.965 72.5-131.4-127.3 154.1 -3.4 20.6 18.4 141 157 A T H > S+ 0 0 5 -127,-0.4 4,-2.4 -2,-0.3 5,-0.2 0.819 109.1 66.8 -64.8 -30.0 -6.7 20.0 20.1 142 158 A V H > S+ 0 0 64 -128,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.944 102.7 43.9 -55.2 -50.2 -5.0 17.0 21.7 143 159 A V H > S+ 0 0 60 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.871 108.5 58.1 -65.0 -39.6 -2.7 19.4 23.7 144 160 A A H X S+ 0 0 0 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.930 108.8 46.2 -49.2 -50.8 -5.7 21.7 24.6 145 161 A I H X S+ 0 0 9 -4,-2.4 4,-2.6 1,-0.2 3,-0.5 0.917 108.8 54.7 -62.2 -44.4 -7.4 18.7 26.2 146 162 A M H X S+ 0 0 109 -4,-2.2 4,-2.0 1,-0.2 6,-0.2 0.857 106.3 52.2 -55.0 -38.8 -4.2 17.7 28.0 147 163 A E H <>S+ 0 0 61 -4,-2.1 6,-2.0 2,-0.2 5,-1.3 0.746 108.3 51.6 -73.0 -26.3 -4.0 21.3 29.5 148 164 A L H ><5S+ 0 0 2 -4,-1.2 3,-1.2 -3,-0.5 -2,-0.2 0.931 110.6 49.0 -66.2 -48.4 -7.7 20.8 30.7 149 165 A L H 3<5S+ 0 0 43 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.871 112.9 45.3 -61.7 -37.7 -6.7 17.5 32.4 150 166 A N T 3<5S- 0 0 102 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.393 116.6-109.9 -92.1 6.3 -3.6 19.0 34.2 151 167 A G T < 5S+ 0 0 48 -3,-1.2 -3,-0.2 2,-0.2 -2,-0.1 0.556 82.9 124.9 80.0 8.0 -5.5 22.1 35.3 152 168 A G S -I 92 0E 0 -2,-0.3 4,-2.6 -67,-0.2 3,-0.4 -0.375 46.3-121.8 -77.6 145.7 -16.1 20.5 18.1 160 176 A N H > S+ 0 0 34 -69,-2.5 4,-2.7 1,-0.2 5,-0.2 0.824 108.3 46.0 -54.8 -46.1 -19.0 18.5 19.3 161 177 A A H > S+ 0 0 10 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.838 113.7 50.8 -72.4 -28.8 -18.1 15.1 17.9 162 178 A V H > S+ 0 0 7 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.950 114.8 41.6 -70.4 -49.6 -14.5 15.5 19.1 163 179 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.944 116.2 50.0 -60.7 -47.3 -15.5 16.4 22.7 164 180 A N H X S+ 0 0 68 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.893 112.5 45.5 -60.9 -42.0 -18.2 13.7 22.8 165 181 A E H X S+ 0 0 40 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.871 109.9 55.1 -72.8 -35.7 -16.0 10.9 21.5 166 182 A Y H X S+ 0 0 49 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.932 112.3 43.2 -59.3 -46.1 -13.2 11.9 23.9 167 183 A V H < S+ 0 0 41 -4,-2.2 3,-0.4 2,-0.2 -2,-0.2 0.935 114.6 49.7 -66.3 -44.5 -15.6 11.7 26.9 168 184 A K H < S+ 0 0 176 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.868 117.3 41.2 -65.4 -37.1 -17.1 8.4 25.7 169 185 A N H < S+ 0 0 94 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.609 118.9 46.2 -84.2 -12.9 -13.6 6.9 25.1 170 186 A N >< + 0 0 46 -4,-1.2 3,-2.0 -3,-0.4 5,-0.4 -0.335 57.5 152.1-129.2 59.6 -12.1 8.3 28.4 171 187 A P G > S+ 0 0 84 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.838 73.7 61.6 -56.6 -34.6 -14.6 7.7 31.2 172 188 A N G 3 S+ 0 0 144 1,-0.3 -2,-0.1 -3,-0.1 -5,-0.1 0.642 92.6 65.3 -71.7 -13.6 -11.8 7.5 33.8 173 189 A K G < S- 0 0 91 -3,-2.0 -1,-0.3 -6,-0.2 -6,-0.1 0.552 96.9-142.7 -78.9 -14.0 -10.8 11.1 32.9 174 190 A K < + 0 0 123 -3,-1.9 -76,-2.8 -4,-0.3 2,-0.2 0.894 43.3 151.1 48.8 56.3 -14.2 12.3 34.4 175 191 A L E -J 97 0E 3 -5,-0.4 2,-0.3 -78,-0.3 -78,-0.2 -0.634 26.8-158.2-103.2 167.7 -14.8 15.0 31.8 176 192 A Q E -J 96 0E 72 -80,-2.7 -80,-2.3 -2,-0.2 2,-0.5 -0.992 13.5-126.9-148.2 155.7 -18.2 16.3 30.6 177 193 A V E -J 95 0E 37 -2,-0.3 2,-0.6 -82,-0.2 -82,-0.2 -0.846 15.7-163.6-102.8 128.6 -19.6 18.2 27.5 178 194 A I E -J 94 0E 23 -84,-3.2 -84,-2.8 -2,-0.5 2,-0.3 -0.974 8.9-156.8-109.4 123.4 -21.7 21.3 27.9 179 195 A E - 0 0 104 -2,-0.6 -86,-0.1 -86,-0.2 -87,-0.0 -0.746 11.0-176.6 -93.0 144.7 -23.7 22.3 24.9 180 196 A D >> + 0 0 16 -88,-0.4 4,-1.8 -2,-0.3 3,-0.9 -0.661 9.5 172.5-140.5 82.7 -24.8 25.9 24.5 181 197 A P T 34 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.682 79.3 62.5 -62.2 -20.1 -27.0 26.4 21.3 182 198 A K T 34 S+ 0 0 156 1,-0.1 3,-0.0 3,-0.1 -78,-0.0 0.846 116.4 27.0 -73.5 -28.8 -27.8 30.0 22.4 183 199 A N T <4 S+ 0 0 39 -3,-0.9 2,-0.5 1,-0.1 -1,-0.1 0.596 112.0 67.3-111.3 -17.1 -24.1 31.0 22.1 184 200 A F S < S- 0 0 12 -4,-1.8 -1,-0.1 -92,-0.1 2,-0.1 -0.952 72.3-137.0-115.7 132.8 -22.6 28.7 19.5 185 201 A A - 0 0 71 -2,-0.5 -93,-0.5 1,-0.1 2,-0.2 -0.304 26.9 -95.7 -79.4 157.2 -23.5 28.7 15.8 186 202 A S - 0 0 80 -95,-0.1 2,-0.3 -5,-0.1 -95,-0.2 -0.504 44.9-163.4 -65.2 141.0 -24.2 25.8 13.4 187 203 A E E - H 0 90D 18 -97,-2.6 -97,-3.2 -2,-0.2 2,-0.4 -0.977 10.4-154.8-131.6 146.7 -21.0 24.9 11.5 188 204 A Y E - H 0 89D 57 -115,-0.4 -115,-2.9 -2,-0.3 -99,-0.2 -0.987 15.1-135.5-122.8 133.8 -20.5 22.9 8.3 189 205 A Y E -GH 72 88D 0 -101,-2.0 -102,-2.6 -2,-0.4 -101,-0.8 -0.611 24.8-179.3 -86.0 144.0 -17.3 21.1 7.4 190 206 A G - 0 0 0 -119,-2.4 -119,-0.4 -104,-0.2 -121,-0.3 -0.956 34.0-111.3-131.5 153.6 -15.9 21.3 3.8 191 207 A M - 0 0 0 -106,-0.4 -107,-2.3 -2,-0.3 2,-0.3 -0.561 45.8-136.8 -70.6 152.1 -12.9 19.8 2.0 192 208 A I E +CD 67 83A 0 -125,-2.4 -125,-2.4 -109,-0.2 -109,-0.2 -0.882 24.4 180.0-125.6 151.1 -10.6 22.8 1.3 193 209 A F E - D 0 82A 0 -111,-2.5 -111,-2.4 -2,-0.3 -127,-0.2 -0.969 38.7 -89.3-142.2 155.0 -8.5 23.9 -1.8 194 210 A P E > - D 0 81A 11 0, 0.0 3,-1.6 0, 0.0 -113,-0.2 -0.367 68.7 -78.9 -59.7 150.7 -6.2 26.6 -2.9 195 211 A K T 3 S+ 0 0 72 -115,-0.7 -114,-0.1 1,-0.3 -116,-0.0 -0.229 118.2 14.9 -52.3 134.1 -8.2 29.4 -4.5 196 212 A N T 3 S+ 0 0 138 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.692 87.1 173.1 69.6 21.7 -9.2 28.6 -8.1 197 213 A S X - 0 0 27 -3,-1.6 3,-0.7 1,-0.1 4,-0.3 -0.367 34.7-146.6 -59.9 134.9 -8.4 24.9 -7.8 198 214 A E T 3 S+ 0 0 190 1,-0.2 4,-0.4 2,-0.1 -1,-0.1 0.464 93.7 67.8 -78.7 -0.6 -9.4 22.7 -10.7 199 215 A L T 3> S+ 0 0 32 -134,-0.2 4,-2.3 1,-0.1 5,-0.2 0.711 77.9 79.6 -86.6 -20.7 -10.1 19.8 -8.2 200 216 A K H <> S+ 0 0 58 -3,-0.7 4,-3.0 1,-0.2 5,-0.2 0.890 91.0 49.8 -59.8 -45.1 -13.2 21.4 -6.5 201 217 A A H > S+ 0 0 76 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.916 113.3 46.1 -61.4 -46.1 -15.7 20.5 -9.2 202 218 A K H > S+ 0 0 117 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.886 113.8 48.8 -62.0 -41.8 -14.6 16.8 -9.4 203 219 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.922 110.4 51.4 -68.0 -44.0 -14.7 16.5 -5.6 204 220 A D H X S+ 0 0 19 -4,-3.0 4,-1.8 -5,-0.2 -2,-0.2 0.915 113.3 44.5 -58.1 -43.1 -18.2 18.1 -5.4 205 221 A E H X S+ 0 0 103 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.915 114.3 49.8 -68.1 -40.5 -19.5 15.7 -8.0 206 222 A A H X S+ 0 0 1 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.883 108.2 52.2 -65.5 -43.0 -17.8 12.7 -6.2 207 223 A L H X S+ 0 0 3 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.920 109.5 50.6 -58.3 -43.0 -19.2 13.7 -2.8 208 224 A K H X S+ 0 0 102 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.911 111.6 48.1 -55.7 -47.4 -22.7 13.8 -4.4 209 225 A N H X S+ 0 0 68 -4,-2.2 4,-2.1 2,-0.2 6,-0.3 0.925 111.2 49.9 -62.9 -46.1 -22.0 10.3 -5.8 210 226 A V H <>S+ 0 0 6 -4,-3.2 6,-2.1 2,-0.2 5,-0.8 0.878 114.8 44.1 -58.5 -42.8 -20.8 9.0 -2.4 211 227 A I H ><5S+ 0 0 36 -4,-2.7 3,-1.2 4,-0.2 6,-0.3 0.951 113.4 51.4 -66.9 -47.8 -23.8 10.4 -0.7 212 228 A N H 3<5S+ 0 0 126 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.833 107.0 52.7 -57.6 -37.4 -26.2 9.1 -3.4 213 229 A S T 3<5S- 0 0 88 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.576 113.6-111.2 -78.7 -12.1 -24.9 5.5 -3.3 214 230 A G T <>5S+ 0 0 24 -3,-1.2 4,-1.9 -4,-0.5 -3,-0.1 0.357 89.1 115.1 94.0 -1.5 -25.3 5.1 0.5 215 231 A K H > S+ 0 0 5 -6,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.953 109.7 46.1 -56.8 -49.5 -21.5 8.3 3.0 217 233 A T H > S+ 0 0 25 -7,-0.3 4,-2.7 -6,-0.3 -2,-0.2 0.871 109.1 54.2 -65.7 -32.8 -24.0 6.7 5.4 218 234 A E H X S+ 0 0 110 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.940 113.5 43.3 -59.1 -49.1 -22.0 3.4 5.7 219 235 A I H X S+ 0 0 7 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.922 113.8 51.4 -60.8 -47.6 -18.9 5.5 6.7 220 236 A Y H X S+ 0 0 23 -4,-3.0 4,-2.5 1,-0.2 5,-0.4 0.913 111.0 47.5 -56.5 -46.2 -21.0 7.7 9.0 221 237 A K H X S+ 0 0 87 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.869 106.7 58.2 -65.8 -38.2 -22.5 4.7 10.8 222 238 A K H < S+ 0 0 139 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.948 117.8 31.7 -50.0 -49.8 -19.0 3.1 11.1 223 239 A W H < S+ 0 0 44 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.768 133.5 25.5 -88.4 -26.9 -17.8 6.1 13.1 224 240 A F H < S- 0 0 48 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.528 88.1-132.1-120.8 -11.0 -20.9 7.3 14.9 225 241 A G S < S+ 0 0 70 -4,-2.0 2,-0.3 -5,-0.4 -4,-0.2 0.641 77.2 74.0 70.6 17.2 -23.1 4.2 15.3 226 242 A K S S- 0 0 132 -6,-0.3 -2,-0.2 -9,-0.1 -1,-0.2 -0.934 89.2 -83.9-149.4 167.1 -26.2 6.0 14.1 227 243 A E - 0 0 117 -2,-0.3 2,-0.1 -3,-0.1 -9,-0.0 -0.506 42.9-124.8 -73.5 142.2 -27.8 7.2 10.8 228 244 A P - 0 0 21 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.411 15.4-122.0 -76.9 166.4 -26.8 10.7 9.6 229 245 A K > - 0 0 134 1,-0.1 3,-2.1 -2,-0.1 4,-0.3 -0.863 29.0-173.5-105.2 90.5 -29.4 13.4 8.9 230 246 A L G > S+ 0 0 63 -2,-0.8 3,-1.8 1,-0.3 4,-0.2 0.714 74.9 74.6 -61.8 -22.2 -28.5 14.0 5.2 231 247 A D G > S+ 0 0 112 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.706 83.7 69.8 -63.4 -19.5 -31.0 16.9 5.0 232 248 A R G X S+ 0 0 94 -3,-2.1 3,-0.7 1,-0.2 -1,-0.3 0.732 91.8 59.8 -61.6 -25.2 -28.3 18.9 7.0 233 249 A L G < S+ 0 0 22 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.468 100.2 54.7 -86.7 -2.0 -26.1 18.7 3.9 234 250 A K G < 0 0 181 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.1 0.099 360.0 360.0-114.7 19.0 -28.6 20.6 1.7 235 251 A Q < 0 0 185 -3,-0.7 -3,-0.0 0, 0.0 0, 0.0 -0.245 360.0 360.0 -77.5 360.0 -29.1 23.7 3.9 236 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 237 301 A K 0 0 1 0, 0.0 -117,-1.7 0, 0.0 -116,-0.2 0.000 360.0 360.0 360.0 360.0 -13.1 23.9 13.6