==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 18-OCT-12 4HMP . COMPND 2 MOLECULE: IRON-COMPOUND ABC TRANSPORTER, IRON COMPOUND-BIND . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR W.CHENG,Q.LI,Y.-L.JIANG,Y.CHEN,C.-Z.ZHOU . 578 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26812.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 380 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 5.5 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 . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 35 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 2 3 5 4 2 2 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 2 2 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 PARALLEL BRIDGES PER LADDER . 0 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 4 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 40 A I 0 0 55 0, 0.0 11,-3.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 125.8 28.6 48.2 -15.6 2 41 A V E -A 11 0A 71 9,-0.2 2,-0.4 7,-0.0 9,-0.2 -0.889 360.0-171.4-102.4 133.5 31.4 45.6 -16.1 3 42 A L E -A 10 0A 6 7,-1.2 7,-1.7 -2,-0.4 2,-0.4 -0.981 10.1-152.9-130.3 122.3 31.7 42.8 -13.6 4 43 A D E +A 9 0A 63 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.769 29.9 150.8 -91.6 134.5 34.5 40.3 -13.4 5 44 A H E > -A 8 0A 17 3,-2.7 3,-2.3 -2,-0.4 104,-0.2 -0.887 60.4 -70.6-151.7-178.2 33.8 36.8 -12.0 6 45 A A T 3 S+ 0 0 44 102,-2.2 103,-0.1 1,-0.3 3,-0.1 0.642 129.0 43.1 -55.5 -18.8 34.8 33.1 -12.2 7 46 A F T 3 S- 0 0 51 101,-0.3 2,-0.4 1,-0.3 -1,-0.3 0.367 120.4 -95.7-112.0 3.0 33.4 32.7 -15.7 8 47 A G E < -A 5 0A 35 -3,-2.3 -3,-2.7 2,-0.0 2,-0.3 -0.968 67.7 -16.9 125.9-137.7 34.7 35.9 -17.3 9 48 A Q E -A 4 0A 137 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.841 45.4-159.9-114.1 149.0 33.1 39.3 -17.8 10 49 A T E -A 3 0A 7 -7,-1.7 -7,-1.2 -2,-0.3 2,-0.7 -0.962 11.9-147.1-132.3 116.1 29.4 40.5 -17.6 11 50 A I E -A 2 0A 124 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.703 33.0-168.1 -75.2 112.0 28.0 43.6 -19.2 12 51 A L - 0 0 8 -11,-3.2 2,-0.3 -2,-0.7 71,-0.1 -0.750 27.0-102.7-108.9 157.0 25.2 44.6 -16.8 13 52 A D - 0 0 59 69,-0.4 69,-0.0 -2,-0.3 -1,-0.0 -0.606 23.6-146.5 -72.5 126.1 22.4 47.0 -16.9 14 53 A K S S+ 0 0 128 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.859 96.3 33.0 -65.2 -36.9 23.2 50.1 -14.8 15 54 A K S S- 0 0 163 67,-0.0 2,-0.7 -3,-0.0 -1,-0.3 -0.725 79.3-167.3-120.8 81.0 19.6 50.5 -13.7 16 55 A P - 0 0 17 0, 0.0 3,-0.1 0, 0.0 67,-0.0 -0.566 6.3-174.4 -71.0 109.5 18.0 47.0 -13.5 17 56 A E S S+ 0 0 141 -2,-0.7 2,-0.4 1,-0.2 0, 0.0 0.735 76.5 43.8 -75.3 -22.6 14.3 47.6 -13.3 18 57 A R S S- 0 0 100 -3,-0.1 64,-3.4 19,-0.0 65,-1.0 -0.979 73.7-170.7-128.9 121.1 13.7 43.8 -12.7 19 58 A V E -b 83 0B 2 -2,-0.4 19,-2.8 17,-0.3 20,-0.8 -0.933 5.8-176.9-118.9 127.3 15.9 41.8 -10.4 20 59 A A E -bc 84 39B 0 63,-2.5 65,-3.1 -2,-0.5 2,-0.3 -0.917 6.8-166.9-115.4 148.4 16.1 38.1 -9.9 21 60 A T E -bc 85 40B 0 18,-1.9 20,-0.5 -2,-0.4 2,-0.3 -0.963 1.4-167.1-131.7 151.2 18.2 36.2 -7.4 22 61 A I + 0 0 1 63,-2.1 4,-0.4 -2,-0.3 66,-0.2 -0.830 49.1 16.1-129.1 171.1 19.2 32.6 -6.9 23 62 A A S S- 0 0 16 -2,-0.3 2,-0.3 2,-0.1 4,-0.3 -0.125 102.4 -25.0 63.4-160.0 20.8 30.4 -4.2 24 63 A W S S- 0 0 134 64,-0.2 2,-1.0 1,-0.1 64,-0.2 -0.628 117.3 -6.7 -91.0 143.4 21.1 31.5 -0.6 25 64 A G S >> S+ 0 0 10 -2,-0.3 4,-1.2 1,-0.1 3,-1.2 -0.034 93.0 107.1 79.8 -33.6 21.2 35.1 0.7 26 65 A N H 3> S+ 0 0 0 -2,-1.0 4,-1.5 -4,-0.4 3,-0.2 0.802 78.8 53.0 -52.9 -36.7 21.4 36.9 -2.6 27 66 A H H 3> S+ 0 0 17 -4,-0.3 4,-2.7 1,-0.2 -1,-0.3 0.824 103.3 57.9 -67.7 -33.0 17.8 38.2 -2.3 28 67 A D H <> S+ 0 0 2 -3,-1.2 4,-2.7 2,-0.2 -1,-0.2 0.828 103.0 53.9 -66.8 -31.2 18.5 39.6 1.2 29 68 A V H X S+ 0 0 0 -4,-1.2 4,-0.6 2,-0.2 -2,-0.2 0.935 112.1 43.1 -68.0 -48.2 21.2 41.8 -0.3 30 69 A A H ><>S+ 0 0 0 -4,-1.5 5,-2.5 2,-0.2 3,-1.0 0.932 115.9 49.1 -60.2 -48.9 18.9 43.2 -2.8 31 70 A L H ><5S+ 0 0 0 -4,-2.7 3,-2.1 1,-0.3 -2,-0.2 0.893 105.7 55.8 -60.9 -42.6 16.1 43.6 -0.2 32 71 A A H 3<5S+ 0 0 24 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.688 106.7 54.2 -62.5 -17.5 18.5 45.3 2.2 33 72 A L T <<5S- 0 0 24 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.238 127.0 -99.8-100.9 10.7 19.1 47.8 -0.6 34 73 A G T < 5S+ 0 0 44 -3,-2.1 2,-0.6 1,-0.2 -3,-0.2 0.523 83.0 128.9 86.1 7.6 15.4 48.6 -1.1 35 74 A I < - 0 0 40 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.861 46.3-155.2-105.0 119.7 14.9 46.3 -4.0 36 75 A V - 0 0 47 -2,-0.6 -17,-0.3 22,-0.1 26,-0.0 -0.798 25.9-127.7 -86.1 118.5 12.1 43.8 -4.1 37 76 A P - 0 0 4 0, 0.0 26,-0.4 0, 0.0 -17,-0.2 -0.319 4.4-136.2 -65.5 148.7 13.1 40.9 -6.4 38 77 A V S S- 0 0 28 -19,-2.8 2,-0.2 1,-0.3 -18,-0.2 0.543 93.2 -7.7 -76.6 -8.3 10.7 39.9 -9.2 39 78 A G E -c 20 0B 0 -20,-0.8 -18,-1.9 26,-0.0 -1,-0.3 -0.739 67.3-177.9 176.0 136.3 11.6 36.4 -8.0 40 79 A F E -cd 21 64B 3 23,-2.0 25,-2.5 -2,-0.2 -18,-0.2 -0.959 42.6 -74.8-141.3 160.8 14.1 34.7 -5.7 41 80 A S E - d 0 65B 9 -20,-0.5 2,-0.2 -2,-0.3 25,-0.1 -0.277 47.4-119.2 -61.2 128.8 15.0 31.1 -4.7 42 81 A K - 0 0 74 23,-2.2 2,-0.2 1,-0.1 5,-0.1 -0.483 29.1-131.7 -69.2 130.8 12.5 29.3 -2.4 43 82 A A 0 0 31 3,-2.3 -1,-0.1 -2,-0.2 25,-0.0 -0.532 360.0 360.0 -82.6 150.7 14.0 28.3 0.9 44 83 A N 0 0 172 -2,-0.2 -1,-0.1 24,-0.1 3,-0.1 0.802 360.0 360.0 -62.7 360.0 13.7 24.9 2.4 45 ! 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 46 91 A G 0 0 52 0, 0.0 -3,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 42.1 9.5 29.3 1.7 47 92 A V - 0 0 42 -5,-0.1 -5,-0.1 -3,-0.1 15,-0.0 -0.990 360.0-127.8-130.0 132.2 10.6 32.6 3.2 48 93 A L > - 0 0 34 -2,-0.4 4,-2.1 1,-0.1 3,-0.4 -0.435 32.2-108.0 -74.2 153.2 12.6 33.3 6.3 49 94 A P H > S+ 0 0 39 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.863 117.4 46.1 -48.6 -48.4 11.1 35.7 8.9 50 95 A W H > S+ 0 0 9 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.802 110.8 52.2 -71.2 -31.4 13.6 38.5 8.2 51 96 A T H > S+ 0 0 1 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.885 112.2 46.7 -68.5 -40.6 13.2 38.2 4.5 52 97 A E H X S+ 0 0 84 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.895 107.8 57.2 -64.8 -42.4 9.5 38.5 4.9 53 98 A E H X S+ 0 0 77 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.871 109.7 44.1 -58.8 -40.7 9.8 41.5 7.2 54 99 A K H X S+ 0 0 47 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.870 110.1 54.7 -74.3 -38.5 11.8 43.5 4.6 55 100 A I H ><>S+ 0 0 7 -4,-1.8 5,-2.7 1,-0.2 3,-0.5 0.916 110.6 47.1 -58.7 -44.7 9.4 42.5 1.8 56 101 A K H ><5S+ 0 0 128 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.891 108.9 54.4 -61.1 -42.4 6.5 43.9 3.9 57 102 A E H 3<5S+ 0 0 106 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.659 109.7 47.3 -69.9 -16.8 8.5 47.1 4.7 58 103 A L T <<5S- 0 0 57 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.260 115.3-116.9-104.7 9.1 9.0 47.7 1.0 59 104 A N T < 5S+ 0 0 154 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.704 73.1 127.7 63.8 24.8 5.3 47.1 0.3 60 105 A G < - 0 0 32 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.341 54.2-128.6-100.4-179.4 6.1 44.0 -1.9 61 106 A K - 0 0 159 -2,-0.1 2,-0.7 -3,-0.1 -1,-0.0 -0.866 30.8-105.1-121.9 161.6 5.1 40.4 -2.1 62 107 A A - 0 0 38 -2,-0.3 2,-0.5 -26,-0.0 -24,-0.1 -0.800 30.5-169.9 -91.5 117.9 7.4 37.4 -2.2 63 108 A N - 0 0 69 -2,-0.7 -23,-2.0 -26,-0.4 2,-0.4 -0.935 15.4-157.3-105.6 125.2 7.7 35.8 -5.6 64 109 A L E -d 40 0B 41 -2,-0.5 2,-0.4 -25,-0.2 -23,-0.2 -0.844 16.9-144.5-114.6 134.3 9.5 32.5 -5.4 65 110 A F E -d 41 0B 2 -25,-2.5 2,-2.2 -2,-0.4 -23,-2.2 -0.740 31.6-120.9 -81.7 138.6 11.4 30.3 -7.8 66 111 A D + 0 0 88 -2,-0.4 2,-1.1 -25,-0.1 3,-0.3 -0.418 53.7 155.5 -80.5 65.4 10.9 26.6 -7.2 67 112 A D + 0 0 22 -2,-2.2 4,-0.2 1,-0.2 -1,-0.1 -0.699 32.0 98.3 -97.1 82.0 14.6 25.9 -6.6 68 113 A L S S+ 0 0 106 -2,-1.1 -1,-0.2 2,-0.4 3,-0.1 0.571 88.4 35.9-124.5 -54.7 14.7 22.8 -4.4 69 114 A D S S- 0 0 160 -3,-0.3 2,-0.3 1,-0.3 -2,-0.1 0.549 135.5 -62.4 -75.9 -7.8 15.3 19.9 -6.8 70 115 A G S S- 0 0 38 -4,-0.2 -2,-0.4 2,-0.0 -1,-0.3 -0.909 83.4 -25.3 151.0-176.9 17.6 22.4 -8.8 71 116 A L - 0 0 47 -2,-0.3 2,-1.1 -4,-0.2 3,-0.1 -0.458 50.9-142.8 -65.4 129.8 17.6 25.6 -10.8 72 117 A N > + 0 0 49 -2,-0.2 4,-2.1 1,-0.2 5,-0.2 -0.758 21.7 178.6 -96.7 90.8 14.2 26.4 -12.3 73 118 A F H > S+ 0 0 69 -2,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.804 79.4 51.0 -65.9 -32.7 15.3 27.9 -15.6 74 119 A E H > S+ 0 0 140 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.876 110.2 49.6 -70.6 -38.8 11.7 28.4 -16.8 75 120 A A H > S+ 0 0 23 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.943 111.7 46.8 -65.0 -50.0 10.7 30.2 -13.6 76 121 A I H < S+ 0 0 0 -4,-2.1 4,-0.4 1,-0.2 3,-0.3 0.900 115.1 48.2 -57.9 -43.2 13.7 32.6 -13.7 77 122 A S H >< S+ 0 0 49 -4,-1.7 3,-1.4 -5,-0.2 -1,-0.2 0.896 107.6 55.4 -63.0 -42.7 12.9 33.2 -17.4 78 123 A N H 3< S+ 0 0 108 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.753 99.9 59.5 -64.5 -26.7 9.2 33.8 -16.7 79 124 A S T 3< S- 0 0 6 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.629 101.1-140.2 -76.3 -13.7 10.0 36.5 -14.1 80 125 A K < - 0 0 137 -3,-1.4 2,-0.2 -4,-0.4 -3,-0.1 0.967 26.9-169.0 52.2 69.4 11.8 38.4 -16.9 81 126 A P - 0 0 10 0, 0.0 -62,-0.2 0, 0.0 3,-0.1 -0.505 31.1-154.6 -87.2 156.4 14.8 39.8 -15.0 82 127 A D S S+ 0 0 40 -64,-3.4 -69,-0.4 1,-0.3 2,-0.3 0.555 89.1 19.8 -94.3 -16.3 17.3 42.4 -16.2 83 128 A V E -b 19 0B 0 -65,-1.0 -63,-2.5 20,-0.2 2,-0.6 -0.989 64.8-147.9-152.7 143.3 19.9 40.9 -13.9 84 129 A I E -be 20 105B 0 20,-2.7 22,-3.3 -2,-0.3 2,-0.5 -0.962 19.0-147.8-115.0 113.0 20.4 37.6 -12.0 85 130 A L E +be 21 106B 0 -65,-3.1 -63,-2.1 -2,-0.6 22,-0.1 -0.699 37.5 145.9 -84.1 121.8 22.2 37.9 -8.7 86 131 A A + 0 0 0 20,-2.0 22,-0.5 -2,-0.5 5,-0.2 0.040 15.6 135.1-144.5 27.1 24.3 34.9 -7.8 87 132 A G S S+ 0 0 0 1,-0.2 2,-0.5 20,-0.2 22,-0.3 0.807 83.8 37.5 -51.2 -36.5 27.3 36.4 -5.9 88 133 A Y S S+ 0 0 5 -66,-0.2 -62,-0.3 -64,-0.2 2,-0.3 -0.936 95.4 109.1-117.6 105.7 26.9 33.5 -3.5 89 134 A S - 0 0 1 -2,-0.5 24,-3.0 -66,-0.1 25,-0.3 -0.964 67.5-121.6-162.4 170.3 25.9 30.4 -5.3 90 135 A G + 0 0 23 22,-0.3 -67,-0.0 -2,-0.3 2,-0.0 -0.098 53.4 154.9-113.1 34.1 27.1 26.9 -6.4 91 136 A I - 0 0 5 -5,-0.2 2,-0.1 1,-0.1 -2,-0.1 -0.296 32.5-141.7 -67.9 143.9 26.6 27.5 -10.2 92 137 A T > - 0 0 71 1,-0.1 4,-2.3 20,-0.0 5,-0.2 -0.415 33.5 -95.5 -92.9 174.7 28.6 25.5 -12.7 93 138 A K H > S+ 0 0 122 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.876 128.4 48.0 -58.0 -38.9 30.0 26.7 -16.0 94 139 A E H > S+ 0 0 134 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.827 107.0 55.6 -73.8 -33.7 26.9 25.4 -17.8 95 140 A D H > S+ 0 0 34 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.945 108.5 48.8 -58.5 -50.2 24.5 27.0 -15.2 96 141 A Y H X S+ 0 0 23 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.902 113.2 47.2 -56.0 -45.9 26.1 30.4 -16.0 97 142 A D H X S+ 0 0 59 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.907 113.8 46.3 -64.6 -45.7 25.8 29.8 -19.7 98 143 A T H >< S+ 0 0 37 -4,-2.7 3,-0.9 1,-0.2 4,-0.3 0.935 116.3 45.7 -62.1 -47.7 22.1 28.7 -19.5 99 144 A L H >X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 3,-1.9 0.844 103.7 63.9 -62.4 -36.4 21.3 31.6 -17.2 100 145 A S H 3< S+ 0 0 45 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.700 91.6 64.8 -64.7 -20.7 23.2 34.1 -19.4 101 146 A K T << S+ 0 0 179 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.658 109.1 40.4 -73.4 -17.0 20.7 33.4 -22.2 102 147 A I T <4 S- 0 0 47 -3,-1.9 -2,-0.2 1,-0.4 -1,-0.1 0.876 131.2 -32.5 -94.1 -52.6 18.0 34.9 -19.9 103 148 A A S < S- 0 0 7 -4,-1.9 -1,-0.4 -19,-0.0 -20,-0.2 -0.981 77.6 -65.5-164.4 158.9 19.9 37.9 -18.4 104 149 A P - 0 0 45 0, 0.0 -20,-2.7 0, 0.0 2,-0.5 -0.288 54.3-142.8 -52.9 135.2 23.3 39.1 -17.2 105 150 A V E -e 84 0B 0 -22,-0.2 2,-1.1 -9,-0.1 -20,-0.2 -0.900 11.6-148.3-113.1 129.0 24.4 37.0 -14.3 106 151 A A E -e 85 0B 0 -22,-3.3 -20,-2.0 -2,-0.5 2,-0.1 -0.766 34.0-177.4 -91.2 90.3 26.4 38.2 -11.2 107 152 A A - 0 0 1 -2,-1.1 -20,-0.2 1,-0.2 -21,-0.1 -0.295 31.6 -85.0 -83.7 169.8 28.3 35.0 -10.4 108 153 A Y - 0 0 9 -22,-0.5 -102,-2.2 -103,-0.1 -101,-0.3 -0.223 34.7-124.9 -65.6 164.8 30.8 34.4 -7.6 109 154 A K S S+ 0 0 109 -22,-0.3 -1,-0.1 -104,-0.2 6,-0.1 0.889 86.1 0.8 -83.5 -41.8 34.4 35.4 -7.9 110 155 A S S S- 0 0 55 4,-0.4 5,-0.1 1,-0.3 -2,-0.1 0.698 115.0 -6.7-113.3 -89.5 36.3 32.2 -7.3 111 156 A K S > S- 0 0 88 3,-0.4 3,-1.7 1,-0.1 -1,-0.3 -0.820 79.9 -75.7-121.8 157.2 34.7 28.8 -6.5 112 157 A P T 3 S+ 0 0 47 0, 0.0 -22,-0.3 0, 0.0 94,-0.2 -0.108 111.5 1.8 -51.9 141.1 31.2 27.5 -5.8 113 158 A W T 3 S+ 0 0 73 -24,-3.0 2,-0.5 1,-0.1 -23,-0.1 0.608 100.7 114.6 58.3 15.4 29.6 28.2 -2.4 114 159 A Q < + 0 0 14 -3,-1.7 2,-0.4 -25,-0.3 -3,-0.4 -0.635 34.8 117.6-117.4 71.7 32.8 30.2 -1.4 115 160 A T - 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0 0 5 -4,-0.2 4,-3.1 -241,-0.1 5,-0.3 -0.894 46.1-107.3-126.1 165.6 23.0 38.1 5.4 270 319 A P H > S+ 0 0 8 0, 0.0 4,-1.4 0, 0.0 -241,-0.1 0.833 124.4 46.0 -61.0 -29.6 22.7 41.7 6.5 271 320 A L H > S+ 0 0 16 2,-0.2 4,-0.8 1,-0.1 5,-0.1 0.899 114.3 45.7 -75.7 -43.8 19.0 41.0 7.2 272 321 A S H >> S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 3,-0.5 0.897 112.2 51.5 -67.3 -41.1 19.6 37.7 9.0 273 322 A I H 3X S+ 0 0 2 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.938 109.2 50.5 -60.1 -48.2 22.4 39.2 11.1 274 323 A N H 3< S+ 0 0 82 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.709 117.4 42.1 -60.0 -21.7 20.2 42.1 12.1 275 324 A Y H << S+ 0 0 118 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.794 125.2 23.4 -98.1 -33.7 17.5 39.6 13.1 276 325 A T H X S+ 0 0 5 -4,-2.3 4,-2.5 2,-0.1 5,-0.2 0.353 83.3 103.2-123.7 2.6 19.2 36.8 14.9 277 326 A I H X S+ 0 0 0 -4,-1.5 4,-2.9 1,-0.2 5,-0.2 0.861 85.1 50.3 -64.0 -38.0 22.5 38.0 16.4 278 327 A E H > S+ 0 0 70 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.934 114.7 45.0 -60.1 -47.5 21.2 38.3 20.0 279 328 A E H > S+ 0 0 111 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.846 115.6 47.7 -64.8 -36.5 19.9 34.7 19.7 280 329 A Y H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.893 111.6 48.2 -74.3 -42.0 23.1 33.5 18.1 281 330 A L H X S+ 0 0 3 -4,-2.9 4,-3.3 1,-0.2 -2,-0.2 0.881 109.1 54.4 -64.8 -39.4 25.4 35.2 20.6 282 331 A N H X S+ 0 0 95 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.859 110.5 46.2 -62.4 -37.4 23.4 33.8 23.5 283 332 A L H X S+ 0 0 47 -4,-1.2 4,-1.3 2,-0.2 -1,-0.2 0.872 116.9 43.5 -73.2 -40.1 23.8 30.3 22.1 284 333 A L H X S+ 0 0 3 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.882 109.8 58.8 -68.6 -40.9 27.5 30.8 21.5 285 334 A G H < S+ 0 0 3 -4,-3.3 4,-0.4 1,-0.2 -2,-0.2 0.884 107.6 44.2 -58.3 -44.6 28.0 32.5 24.9 286 335 A N H < S+ 0 0 81 -4,-1.5 3,-0.5 2,-0.2 4,-0.4 0.859 113.2 51.0 -70.2 -37.1 26.7 29.5 26.9 287 336 A A H >< S+ 0 0 6 -4,-1.3 3,-1.6 1,-0.2 -2,-0.2 0.906 107.2 53.0 -65.7 -43.1 28.7 27.0 24.8 288 337 A C G >< S+ 0 0 3 -4,-2.6 3,-0.8 1,-0.3 -1,-0.2 0.595 95.2 71.3 -70.3 -11.1 31.9 28.9 25.3 289 338 A K G 3 S+ 0 0 132 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.711 97.3 50.5 -72.7 -22.0 31.2 28.8 29.1 290 339 A N G < 0 0 84 -3,-1.6 -38,-0.4 -4,-0.4 -1,-0.2 0.298 360.0 360.0 -97.5 6.6 32.1 25.1 28.9 291 340 A A < 0 0 48 -3,-0.8 -2,-0.2 -40,-0.1 -1,-0.1 0.833 360.0 360.0 -91.6 360.0 35.4 25.8 27.1 292 !* 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 0.0 293 40 B I 0 0 74 0, 0.0 11,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 124.9 67.3 48.3 14.8 294 41 B V E -K 303 0E 67 9,-0.2 2,-0.5 7,-0.0 9,-0.2 -0.914 360.0-164.3-108.6 136.8 69.8 45.4 14.4 295 42 B L E -K 302 0E 4 7,-1.4 7,-1.6 -2,-0.4 2,-0.4 -0.980 8.1-148.2-126.8 123.4 70.0 42.7 17.0 296 43 B D E +K 301 0E 56 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.747 32.3 148.9 -90.9 130.7 73.0 40.2 17.2 297 44 B H E > -K 300 0E 17 3,-2.7 3,-1.6 -2,-0.4 104,-0.3 -0.825 61.0 -74.8-147.3-174.2 72.2 36.7 18.5 298 45 B A T 3 S+ 0 0 51 102,-2.2 103,-0.1 1,-0.3 3,-0.1 0.698 127.2 46.7 -63.6 -22.5 73.4 33.1 18.2 299 46 B F T 3 S- 0 0 62 101,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.369 120.5 -99.5-102.4 3.2 71.8 32.7 14.7 300 47 B G E < -K 297 0E 35 -3,-1.6 -3,-2.7 2,-0.0 2,-0.3 -0.966 67.8 -15.7 122.8-131.4 73.1 35.9 13.2 301 48 B Q E -K 296 0E 142 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.891 44.8-157.2-119.7 147.3 71.3 39.2 12.8 302 49 B T E -K 295 0E 7 -7,-1.6 -7,-1.4 -2,-0.3 2,-0.8 -0.985 11.4-145.9-124.8 122.8 67.7 40.3 12.9 303 50 B I E -K 294 0E 120 -2,-0.4 -9,-0.2 -9,-0.2 2,-0.2 -0.781 33.1-165.4 -86.7 110.4 66.4 43.4 11.2 304 51 B L - 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0 0 33 -2,-0.4 4,-2.4 -3,-0.1 5,-0.3 -0.338 31.1-107.8 -70.7 154.7 51.0 33.2 36.6 341 94 B P H > S+ 0 0 39 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.864 116.5 44.6 -52.1 -48.3 49.6 35.7 39.2 342 95 B W H > S+ 0 0 9 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.874 111.9 52.3 -68.7 -39.3 52.1 38.5 38.5 343 96 B T H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.932 113.6 43.8 -60.3 -47.4 51.7 38.2 34.8 344 97 B E H X S+ 0 0 120 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.867 110.6 57.2 -64.2 -37.3 47.9 38.4 35.1 345 98 B E H X S+ 0 0 84 -4,-2.0 4,-1.2 -5,-0.3 -2,-0.2 0.880 109.5 43.7 -62.2 -40.2 48.3 41.3 37.6 346 99 B K H X S+ 0 0 52 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.839 111.4 53.3 -76.1 -34.7 50.3 43.3 35.1 347 100 B I H ><>S+ 0 0 6 -4,-2.0 5,-2.2 1,-0.2 3,-0.6 0.908 109.2 49.8 -64.1 -42.7 48.0 42.6 32.2 348 101 B K H ><5S+ 0 0 167 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.838 107.9 53.8 -64.2 -34.9 45.0 43.7 34.3 349 102 B E H 3<5S+ 0 0 107 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.684 108.3 50.3 -72.9 -18.9 46.9 46.9 35.1 350 103 B L T <<5S- 0 0 55 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.279 114.4-117.1-101.8 8.6 47.4 47.6 31.4 351 104 B N T < 5S+ 0 0 156 -3,-1.0 -3,-0.2 1,-0.2 2,-0.1 0.676 71.3 131.2 64.4 24.7 43.7 47.1 30.7 352 105 B G < - 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0 0 5 -4,-0.2 4,-3.0 -241,-0.1 5,-0.3 -0.912 46.2-103.7-132.2 161.8 61.4 38.0 35.8 562 319 B P H > S+ 0 0 8 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.884 124.6 43.6 -52.8 -37.9 61.0 41.7 36.7 563 320 B L H > S+ 0 0 16 2,-0.2 4,-1.4 1,-0.1 5,-0.1 0.924 114.0 47.5 -73.5 -47.7 57.3 41.0 37.5 564 321 B S H > S+ 0 0 1 2,-0.2 4,-3.4 1,-0.2 3,-0.4 0.936 111.8 51.3 -60.0 -48.6 57.9 37.7 39.4 565 322 B I H X S+ 0 0 1 -4,-3.0 4,-2.2 1,-0.2 5,-0.2 0.946 110.3 48.8 -51.4 -54.3 60.7 39.2 41.5 566 323 B N H < S+ 0 0 86 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.780 119.8 40.0 -55.9 -29.0 58.5 42.1 42.5 567 324 B Y H < S+ 0 0 116 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.851 127.7 24.3 -90.4 -39.3 55.7 39.7 43.4 568 325 B T H X S+ 0 0 5 -4,-3.4 4,-2.1 -5,-0.1 5,-0.2 0.469 85.4 102.2-114.3 -4.3 57.5 36.8 45.1 569 326 B I H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.862 85.6 47.2 -55.8 -44.4 60.8 38.1 46.5 570 327 B E H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.939 114.1 47.8 -62.3 -45.8 59.6 38.4 50.1 571 328 B E H > S+ 0 0 119 -4,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.813 114.8 47.5 -62.3 -31.8 58.1 34.9 50.0 572 329 B Y H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.858 110.7 48.9 -80.5 -38.6 61.3 33.6 48.4 573 330 B L H X S+ 0 0 3 -4,-2.6 4,-3.2 -5,-0.2 5,-0.2 0.847 108.1 56.1 -67.2 -34.9 63.7 35.3 50.9 574 331 B N H X S+ 0 0 87 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.879 109.7 45.6 -64.2 -39.3 61.7 33.9 53.8 575 332 B L H X S+ 0 0 50 -4,-1.0 4,-1.3 2,-0.2 -2,-0.2 0.878 116.9 43.9 -70.9 -41.3 62.1 30.4 52.5 576 333 B L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.907 112.9 52.5 -69.1 -43.8 65.8 30.8 51.9 577 334 B G H < S+ 0 0 2 -4,-3.2 4,-0.4 1,-0.2 -2,-0.2 0.909 109.9 47.0 -59.1 -47.2 66.3 32.6 55.2 578 335 B N H < S+ 0 0 87 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.829 114.4 48.3 -65.5 -32.3 64.7 29.8 57.2 579 336 B A H >< S+ 0 0 7 -4,-1.3 3,-1.6 1,-0.2 -2,-0.2 0.856 104.9 57.8 -74.3 -37.3 66.7 27.2 55.3 580 337 B C G >< S+ 0 0 6 -4,-2.6 3,-0.6 1,-0.3 -1,-0.2 0.525 89.6 75.9 -71.9 -5.8 70.0 29.1 55.8 581 338 B K G 3 S+ 0 0 131 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.2 0.673 92.8 53.1 -74.9 -18.4 69.3 28.8 59.6 582 339 B N G < 0 0 78 -3,-1.6 -38,-0.3 1,-0.2 -1,-0.2 0.411 360.0 360.0 -96.4 -0.4 70.4 25.2 59.3 583 340 B A < 0 0 55 -3,-0.6 -1,-0.2 -40,-0.1 -2,-0.1 0.749 360.0 360.0 -81.6 360.0 73.7 25.9 57.6