==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 18-SEP-12 4H59 . COMPND 2 MOLECULE: IRON-COMPOUND ABC TRANSPORTER, IRON COMPOUND-BIND . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR P.J.STOGIOS,Z.WAWRZAK,M.KUDRITSKA,G.MINASOV,V.YIM,A.SAVCHENK . 306 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14381.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 4.9 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 . 0 0.0 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 . 20 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 2 2 2 2 1 0 1 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 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 . 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 36 A A 0 0 117 0, 0.0 3,-0.1 0, 0.0 17,-0.1 0.000 360.0 360.0 360.0 133.8 47.6 52.3 15.2 2 37 A P + 0 0 131 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.989 360.0 84.7 -74.4 -2.0 48.6 53.7 12.7 3 38 A D S S- 0 0 132 1,-0.1 3,-0.0 3,-0.0 0, 0.0 -0.406 80.3-126.3 -65.4 135.9 51.9 52.6 14.3 4 39 A K - 0 0 115 -2,-0.1 2,-0.5 -3,-0.1 13,-0.2 -0.208 29.2-105.4 -65.0 169.7 53.1 49.1 13.6 5 40 A I E -A 16 0A 19 11,-2.9 11,-2.4 13,-0.1 2,-0.6 -0.917 34.0-166.7-104.1 124.1 53.9 46.9 16.5 6 41 A V E -A 15 0A 56 -2,-0.5 2,-0.5 9,-0.2 9,-0.2 -0.943 2.7-169.4-117.8 112.2 57.7 46.4 17.1 7 42 A L E -A 14 0A 11 7,-3.3 7,-2.3 -2,-0.6 2,-0.5 -0.866 6.6-157.7-103.1 130.7 58.8 43.7 19.4 8 43 A D E +A 13 0A 110 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.926 30.0 144.3-105.7 131.7 62.3 43.3 20.6 9 44 A H E > -A 12 0A 18 3,-2.6 3,-1.7 -2,-0.5 110,-0.3 -0.787 63.0 -64.7-148.7-169.9 63.4 39.9 21.9 10 45 A A T 3 S+ 0 0 38 108,-2.9 109,-0.1 1,-0.3 3,-0.1 0.685 127.8 44.1 -60.7 -22.1 66.3 37.4 22.0 11 46 A F T 3 S- 0 0 48 107,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.259 120.7 -92.5-112.4 12.5 66.3 36.9 18.3 12 47 A G E < S-A 9 0A 36 -3,-1.7 -3,-2.6 2,-0.0 2,-0.4 -0.966 72.3 -23.6 120.2-128.6 66.0 40.5 17.0 13 48 A Q E -A 8 0A 113 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.959 40.0-157.5-128.3 146.7 62.8 42.2 16.2 14 49 A T E -A 7 0A 7 -7,-2.3 -7,-3.3 -2,-0.4 2,-0.4 -0.976 14.8-160.9-115.1 134.1 59.3 41.1 15.2 15 50 A I E -A 6 0A 87 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.960 6.7-171.0-118.0 130.4 57.0 43.6 13.4 16 51 A L E -A 5 0A 6 -11,-2.4 -11,-2.9 -2,-0.4 3,-0.1 -0.957 14.8-153.3-113.5 141.7 53.2 43.4 13.1 17 52 A D S S- 0 0 113 -2,-0.4 2,-0.3 -13,-0.2 -1,-0.1 0.662 77.7 -4.9 -88.2 -20.4 51.3 45.7 10.7 18 53 A K S S- 0 0 162 -13,-0.1 -1,-0.1 -17,-0.1 -13,-0.1 -0.941 98.8 -59.7-157.1 179.0 48.1 45.6 12.7 19 54 A K - 0 0 111 -2,-0.3 2,-0.2 120,-0.1 119,-0.1 -0.486 58.7-117.9 -73.5 128.0 46.6 43.9 15.7 20 55 A P - 0 0 15 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.432 24.6-170.1 -71.6 135.9 46.5 40.1 15.2 21 56 A E S S+ 0 0 162 1,-0.2 2,-0.7 -2,-0.2 -2,-0.0 0.902 73.3 54.3 -90.0 -51.4 43.1 38.4 15.1 22 57 A R S S- 0 0 108 68,-0.1 70,-3.7 19,-0.1 71,-1.1 -0.793 75.6-163.1 -93.4 115.5 44.0 34.7 15.2 23 58 A V E -b 93 0B 1 -2,-0.7 19,-2.5 17,-0.3 20,-0.8 -0.856 12.0-179.9-108.3 117.3 46.2 34.0 18.2 24 59 A A E -bc 94 43B 0 69,-2.3 71,-2.5 -2,-0.6 2,-0.3 -0.850 9.1-168.1-104.0 150.6 48.3 30.9 18.6 25 60 A T E -b 95 0B 0 18,-2.2 2,-0.3 -2,-0.3 71,-0.2 -0.952 3.9-162.5-131.5 158.1 50.5 30.3 21.6 26 61 A I + 0 0 1 69,-2.3 4,-0.3 -2,-0.3 72,-0.2 -0.938 48.4 14.3-134.3 161.3 53.2 27.8 22.4 27 62 A A S S- 0 0 21 -2,-0.3 4,-0.4 2,-0.1 18,-0.3 0.061 100.0 -20.4 67.8-177.6 54.9 26.6 25.6 28 63 A W S S- 0 0 63 1,-0.2 2,-1.0 2,-0.1 70,-0.2 -0.272 116.3 -12.1 -69.0 138.4 53.9 27.1 29.2 29 64 A G S >> S+ 0 0 1 1,-0.2 3,-1.3 -4,-0.1 4,-0.8 0.019 92.9 106.9 80.8 -31.2 51.5 29.7 30.4 30 65 A N H >> S+ 0 0 0 -2,-1.0 4,-1.6 68,-0.3 3,-0.9 0.843 76.2 59.1 -60.1 -35.2 51.2 32.0 27.3 31 66 A H H 3> S+ 0 0 17 -4,-0.4 4,-2.7 1,-0.3 -1,-0.3 0.817 98.8 60.2 -60.7 -31.1 47.7 30.9 26.4 32 67 A D H <> S+ 0 0 2 -3,-1.3 4,-2.2 2,-0.2 -1,-0.3 0.787 100.6 54.7 -69.5 -27.2 46.6 32.1 29.9 33 68 A V H <>S+ 0 0 0 -4,-1.6 5,-2.4 1,-0.2 3,-0.6 0.942 116.0 47.6 -58.0 -48.3 45.5 35.6 25.9 35 70 A L H ><5S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.2 -1,-0.2 0.888 108.1 53.6 -62.9 -40.7 42.6 34.0 27.7 36 71 A A H 3<5S+ 0 0 26 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.750 106.6 54.9 -66.9 -21.1 42.8 36.4 30.7 37 72 A L T <<5S- 0 0 26 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.330 129.2 -99.9 -91.8 5.4 42.6 39.2 28.0 38 73 A G T < 5S+ 0 0 43 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.655 83.1 124.6 92.2 18.4 39.4 37.7 26.7 39 74 A I < - 0 0 40 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.2 -0.943 51.2-147.0-119.9 128.1 40.8 35.8 23.7 40 75 A V - 0 0 42 -2,-0.5 -17,-0.3 28,-0.1 -9,-0.0 -0.811 29.5-126.4 -91.0 113.7 40.5 32.1 22.9 41 76 A P - 0 0 0 0, 0.0 32,-0.3 0, 0.0 -17,-0.2 -0.164 4.2-134.9 -56.4 147.9 43.7 31.0 21.1 42 77 A V S S- 0 0 26 -19,-2.5 2,-0.3 1,-0.3 -18,-0.2 0.597 91.1 -5.8 -76.9 -11.4 43.2 29.2 17.8 43 78 A G B +c 24 0B 1 -20,-0.8 -18,-2.2 32,-0.0 -1,-0.3 -0.871 68.5 176.6-173.7 146.4 45.8 26.7 19.1 44 79 A F E -e 74 0C 2 29,-1.9 31,-3.0 -2,-0.3 -18,-0.2 -0.971 39.1 -76.1-152.5 166.5 48.0 26.3 22.2 45 80 A S E -e 75 0C 14 -18,-0.3 31,-0.1 -2,-0.3 -14,-0.1 -0.375 44.5-118.4 -72.3 140.6 50.5 23.8 23.6 46 81 A K - 0 0 52 29,-1.0 2,-0.3 -2,-0.1 11,-0.2 -0.351 25.5-149.1 -70.3 150.5 49.3 20.6 25.3 47 82 A A + 0 0 11 9,-1.8 9,-0.1 5,-0.2 31,-0.1 -0.908 25.6 170.6-119.2 152.3 50.1 20.0 29.0 48 83 A N + 0 0 92 -2,-0.3 2,-0.6 1,-0.1 5,-0.2 0.157 56.3 92.9-142.3 18.6 50.6 16.7 30.9 49 84 A Y S S+ 0 0 60 1,-0.1 225,-0.1 3,-0.1 3,-0.1 -0.969 104.5 3.3-115.8 114.4 51.9 18.0 34.3 50 85 A G S S+ 0 0 12 -2,-0.6 2,-0.3 223,-0.3 -1,-0.1 0.320 134.5 54.6 90.8 -5.2 49.0 18.4 36.8 51 86 A V S S- 0 0 22 223,-0.1 -1,-0.1 7,-0.1 7,-0.1 -0.979 93.5-101.1-150.9 151.5 46.6 17.0 34.2 52 87 A S >> - 0 0 67 -2,-0.3 4,-2.9 1,-0.1 3,-0.5 -0.417 31.1-122.9 -68.9 152.4 46.5 13.8 32.1 53 88 A A T 34 S+ 0 0 37 1,-0.2 -1,-0.1 -5,-0.2 -6,-0.1 0.766 109.9 69.8 -68.9 -21.7 47.6 14.3 28.5 54 89 A D T 34 S+ 0 0 159 1,-0.1 -1,-0.2 -6,-0.1 -6,-0.1 0.890 112.4 27.8 -60.8 -42.7 44.2 12.9 27.5 55 90 A K T <4 S- 0 0 104 -3,-0.5 -2,-0.2 -8,-0.1 -1,-0.1 0.915 89.9-174.8 -80.4 -52.9 42.6 16.1 28.7 56 91 A G < + 0 0 1 -4,-2.9 -9,-1.8 -9,-0.1 2,-0.4 0.494 46.8 90.5 78.3 5.5 45.7 18.2 28.1 57 92 A V S S- 0 0 9 -5,-0.2 -5,-0.1 -11,-0.2 -1,-0.1 -0.998 74.9-119.7-139.0 131.6 44.6 21.4 29.6 58 93 A L > - 0 0 8 -2,-0.4 4,-2.4 1,-0.1 3,-0.2 -0.258 32.1-109.8 -69.3 158.1 45.0 22.7 33.2 59 94 A P H > S+ 0 0 23 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.816 113.9 49.6 -67.1 -36.3 41.8 23.4 35.2 60 95 A W H > S+ 0 0 7 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.865 113.7 48.7 -67.6 -35.7 42.0 27.2 35.4 61 96 A T H > S+ 0 0 0 -3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.933 111.2 48.6 -66.5 -47.6 42.6 27.4 31.6 62 97 A E H X S+ 0 0 42 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.894 110.0 53.1 -60.0 -41.2 39.7 25.1 30.8 63 98 A E H X S+ 0 0 107 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.871 109.6 46.5 -65.2 -39.4 37.4 27.1 33.1 64 99 A K H X S+ 0 0 41 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.901 109.9 54.3 -70.2 -41.1 38.3 30.4 31.4 65 100 A I H <>S+ 0 0 6 -4,-2.3 5,-2.6 1,-0.2 -2,-0.2 0.917 109.7 47.8 -55.4 -45.0 37.8 28.9 27.9 66 101 A K H ><5S+ 0 0 132 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.868 108.5 53.7 -67.3 -36.3 34.3 27.7 28.9 67 102 A E H 3<5S+ 0 0 119 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.881 108.5 50.6 -62.5 -36.7 33.5 31.2 30.3 68 103 A L T 3<5S- 0 0 49 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.365 114.5-120.7 -82.9 7.0 34.5 32.6 26.9 69 104 A N T < 5S+ 0 0 154 -3,-1.3 -3,-0.2 1,-0.2 2,-0.1 0.831 74.8 117.0 55.6 36.1 32.2 30.1 25.2 70 105 A G < - 0 0 33 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.2 -0.386 57.9-122.2-112.0-168.1 35.2 28.6 23.3 71 106 A K - 0 0 153 -2,-0.1 2,-0.6 -3,-0.1 -9,-0.0 -0.968 28.8 -96.6-137.8 161.4 36.9 25.3 23.1 72 107 A A - 0 0 43 -2,-0.3 2,-0.8 1,-0.0 -30,-0.1 -0.641 29.9-167.8 -79.7 117.0 40.5 24.1 23.7 73 108 A N - 0 0 64 -2,-0.6 -29,-1.9 -32,-0.3 2,-0.4 -0.861 18.5-167.7-103.6 96.2 42.4 23.8 20.4 74 109 A L E -e 44 0C 44 -2,-0.8 2,-0.4 -31,-0.2 -29,-0.2 -0.709 19.4-136.4 -96.9 134.2 45.5 21.9 21.5 75 110 A F E -e 45 0C 8 -31,-3.0 2,-2.3 -2,-0.4 -29,-1.0 -0.699 23.2-127.4 -77.3 131.7 48.7 21.3 19.5 76 111 A D + 0 0 100 -2,-0.4 3,-0.1 1,-0.2 9,-0.1 -0.546 69.2 127.8 -76.5 77.1 49.8 17.7 19.7 77 112 A D > + 0 0 13 -2,-2.3 3,-1.3 1,-0.1 -1,-0.2 -0.042 11.2 119.6-130.2 31.0 53.2 19.0 20.8 78 113 A L T 3 S+ 0 0 77 1,-0.2 -1,-0.1 -31,-0.1 3,-0.1 0.859 84.7 48.7 -65.0 -32.2 54.2 17.2 24.1 79 114 A D T 3 S- 0 0 155 1,-0.3 -1,-0.2 -3,-0.1 2,-0.2 0.330 133.3 -58.3 -89.7 8.5 57.2 15.7 22.3 80 115 A G S < S- 0 0 37 -3,-1.3 -1,-0.3 2,-0.0 0, 0.0 -0.548 85.5 -29.3 132.6 164.6 58.3 19.1 20.8 81 116 A L - 0 0 48 -2,-0.2 2,-0.9 -3,-0.1 3,-0.1 -0.104 49.1-149.7 -50.3 131.9 57.0 21.9 18.6 82 117 A N > - 0 0 49 1,-0.2 4,-2.0 2,-0.1 5,-0.2 -0.860 16.8-179.2-106.0 93.5 54.5 20.7 16.1 83 118 A F H > S+ 0 0 64 -2,-0.9 4,-2.7 1,-0.2 5,-0.2 0.856 78.9 53.8 -67.2 -35.3 55.0 23.1 13.2 84 119 A E H > S+ 0 0 142 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.912 109.3 48.9 -64.8 -43.0 52.4 21.6 11.0 85 120 A A H > S+ 0 0 23 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.894 112.3 48.2 -62.5 -43.1 49.8 21.9 13.7 86 121 A I H >< S+ 0 0 0 -4,-2.0 3,-1.1 1,-0.2 4,-0.3 0.949 112.4 48.7 -62.7 -47.8 50.7 25.5 14.3 87 122 A S H >< S+ 0 0 47 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.852 106.5 57.2 -62.5 -34.3 50.6 26.3 10.6 88 123 A N H 3< S+ 0 0 104 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.710 95.6 64.0 -72.5 -18.8 47.2 24.6 10.3 89 124 A S T << S- 0 0 13 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.549 99.7-139.2 -77.8 -6.4 45.7 26.9 12.9 90 125 A K < - 0 0 134 -3,-1.4 -3,-0.1 -4,-0.3 -68,-0.1 0.918 30.7-169.6 47.7 58.8 46.4 29.8 10.5 91 126 A P - 0 0 11 0, 0.0 -68,-0.2 0, 0.0 -1,-0.1 -0.361 32.3-154.0 -80.8 156.7 47.6 32.2 13.2 92 127 A D S S+ 0 0 68 -70,-3.7 2,-0.3 1,-0.3 -69,-0.2 0.493 86.7 10.6 -96.7 -12.4 48.2 36.0 12.8 93 128 A V E -b 23 0B 0 -71,-1.1 -69,-2.3 20,-0.2 2,-0.5 -0.973 63.9-142.3-159.3 152.4 50.7 35.8 15.7 94 129 A I E -bd 24 115B 0 20,-2.6 22,-2.7 -2,-0.3 2,-0.5 -0.979 18.4-148.7-123.0 117.8 52.5 33.2 17.9 95 130 A L E +bd 25 116B 0 -71,-2.5 -69,-2.3 -2,-0.5 22,-0.1 -0.752 35.5 147.8 -91.2 124.6 52.9 34.1 21.6 96 131 A A E + d 0 117B 0 20,-2.1 22,-0.5 -2,-0.5 5,-0.2 -0.073 15.8 137.3-145.4 34.2 56.1 32.6 23.1 97 132 A G S S+ 0 0 0 1,-0.2 2,-0.5 20,-0.2 22,-0.3 0.794 81.6 36.5 -62.4 -34.3 57.0 35.2 25.8 98 133 A Y S S+ 0 0 13 -72,-0.2 -68,-0.3 -70,-0.2 2,-0.3 -0.986 98.2 106.4-113.5 112.7 57.8 32.5 28.3 99 134 A S - 0 0 0 -2,-0.5 24,-2.8 -72,-0.1 25,-0.3 -0.970 68.1-122.4-170.6 175.9 59.4 29.6 26.3 100 135 A G + 0 0 25 -2,-0.3 -73,-0.0 22,-0.3 -4,-0.0 0.133 50.2 153.8-119.7 20.6 62.5 27.7 25.5 101 136 A I - 0 0 7 -5,-0.2 2,-0.1 1,-0.1 17,-0.1 -0.116 33.4-140.2 -59.5 143.2 62.6 28.2 21.7 102 137 A T > - 0 0 71 1,-0.1 4,-2.8 20,-0.0 5,-0.1 -0.393 30.8 -99.6 -89.3 174.4 65.9 28.0 19.9 103 138 A K H > S+ 0 0 118 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.907 126.8 52.6 -61.6 -41.5 67.0 30.3 17.0 104 139 A E H > S+ 0 0 157 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.920 110.7 47.5 -58.0 -46.0 66.1 27.4 14.6 105 140 A D H > S+ 0 0 40 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.938 111.4 51.2 -56.8 -50.7 62.7 27.2 16.2 106 141 A Y H X S+ 0 0 19 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.894 109.7 48.7 -56.5 -45.9 62.2 30.9 16.0 107 142 A D H X S+ 0 0 63 -4,-2.7 4,-0.7 2,-0.2 -1,-0.2 0.884 113.9 46.1 -63.2 -39.9 63.1 31.0 12.3 108 143 A T H >< S+ 0 0 55 -4,-1.9 3,-0.6 -5,-0.2 4,-0.5 0.918 114.3 47.7 -69.3 -43.4 60.7 28.2 11.4 109 144 A L H >X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 3,-1.7 0.893 105.2 59.9 -63.4 -40.4 57.9 29.7 13.5 110 145 A S H 3< S+ 0 0 42 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.714 94.5 63.4 -65.3 -21.6 58.4 33.1 11.9 111 146 A K T << S+ 0 0 172 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.755 109.2 42.6 -68.9 -24.2 57.7 31.7 8.5 112 147 A I T <4 S- 0 0 47 -3,-1.7 -2,-0.2 -4,-0.5 -1,-0.1 0.921 132.5 -31.2 -85.9 -54.2 54.2 30.9 9.8 113 148 A A S < S- 0 0 5 -4,-2.0 -1,-0.4 -19,-0.0 -20,-0.2 -0.972 79.5 -66.3-160.4 161.2 53.4 34.1 11.7 114 149 A P - 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0 0 7 -2,-0.7 2,-0.1 -7,-0.1 68,-0.0 -0.953 53.6-142.4-137.5 117.7 60.5 35.3 32.0 126 161 A L > - 0 0 38 -2,-0.4 4,-2.1 68,-0.1 3,-0.3 -0.377 33.3-103.8 -72.8 162.1 58.8 36.4 35.2 127 162 A W H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.860 119.3 49.5 -62.6 -38.3 55.0 36.4 35.2 128 163 A R H > S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.881 112.6 48.6 -64.8 -37.7 54.5 40.2 34.8 129 164 A D H > S+ 0 0 68 -3,-0.3 4,-3.1 2,-0.2 5,-0.3 0.824 105.4 57.6 -73.2 -30.2 56.9 40.2 31.9 130 165 A X H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.921 110.0 45.7 -63.6 -41.0 55.2 37.3 30.2 131 166 A I H X S+ 0 0 0 -4,-1.8 4,-2.8 -5,-0.2 5,-0.3 0.929 113.4 49.5 -64.9 -46.3 52.1 39.4 30.3 132 167 A K H X S+ 0 0 103 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.946 116.2 41.2 -59.1 -48.8 54.0 42.5 29.0 133 168 A I H X S+ 0 0 39 -4,-3.1 4,-1.5 2,-0.2 -2,-0.2 0.949 119.9 42.9 -64.3 -50.6 55.6 40.6 26.1 134 169 A D H X S+ 0 0 0 -4,-2.5 4,-1.0 -5,-0.3 -2,-0.2 0.918 115.5 47.7 -66.1 -43.2 52.5 38.6 25.1 135 170 A S H <>S+ 0 0 1 -4,-2.8 5,-3.0 -5,-0.3 4,-0.4 0.835 106.8 57.1 -71.9 -30.6 50.0 41.5 25.4 136 171 A K H ><5S+ 0 0 90 -4,-1.8 3,-1.4 -5,-0.3 5,-0.2 0.909 104.2 53.5 -61.5 -38.6 52.3 43.9 23.5 137 172 A A H 3<5S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.775 106.9 52.6 -67.8 -25.7 52.2 41.4 20.6 138 173 A L T 3<5S- 0 0 4 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.507 117.0-114.8 -85.1 -5.8 48.4 41.4 20.7 139 174 A G T < 5S+ 0 0 0 -3,-1.4 -3,-0.2 -4,-0.4 3,-0.2 0.763 89.7 112.8 74.3 26.2 48.4 45.2 20.5 140 175 A X >< + 0 0 39 -5,-3.0 4,-2.2 -6,-0.1 -4,-0.2 -0.270 21.8 136.5-127.5 47.0 47.0 45.2 24.0 141 176 A E H > S+ 0 0 94 -5,-0.2 4,-2.0 2,-0.2 5,-0.2 0.907 75.8 49.2 -60.8 -46.9 49.7 46.7 26.1 142 177 A K H > S+ 0 0 116 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.914 112.3 48.1 -62.1 -43.2 47.4 48.9 28.2 143 178 A E H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.868 108.7 55.3 -65.8 -35.8 45.0 45.9 28.9 144 179 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.887 107.5 49.1 -62.0 -39.8 48.1 43.9 29.8 145 180 A D H X S+ 0 0 90 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.892 109.9 50.7 -66.2 -40.2 49.0 46.5 32.4 146 181 A E H X S+ 0 0 96 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.896 109.6 51.8 -64.4 -38.1 45.5 46.6 33.8 147 182 A L H X S+ 0 0 22 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.888 108.4 50.4 -64.3 -41.5 45.7 42.7 34.0 148 183 A I H X S+ 0 0 12 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.958 111.5 48.1 -60.8 -48.9 48.9 43.0 36.0 149 184 A K H X S+ 0 0 144 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.886 112.8 48.9 -59.5 -37.9 47.4 45.5 38.4 150 185 A N H X S+ 0 0 99 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.869 110.6 49.2 -71.8 -36.1 44.3 43.3 38.8 151 186 A T H X S+ 0 0 11 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.894 109.4 52.8 -69.5 -40.1 46.4 40.2 39.5 152 187 A E H X S+ 0 0 74 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.863 107.5 52.8 -60.7 -36.6 48.5 42.2 42.0 153 188 A A H X S+ 0 0 56 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.847 106.1 52.9 -67.6 -34.5 45.2 43.1 43.7 154 189 A R H X S+ 0 0 61 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.907 109.9 48.2 -66.1 -42.4 44.1 39.4 43.9 155 190 A I H X S+ 0 0 7 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.951 112.7 48.0 -61.6 -49.3 47.4 38.6 45.6 156 191 A S H X S+ 0 0 63 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.896 110.5 52.4 -59.5 -41.9 47.0 41.4 48.1 157 192 A K H X S+ 0 0 144 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.912 108.4 49.5 -61.6 -44.1 43.4 40.5 48.8 158 193 A E H X S+ 0 0 2 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.902 112.4 48.2 -65.5 -41.3 44.3 36.9 49.6 159 194 A L H >< S+ 0 0 18 -4,-2.2 3,-0.8 1,-0.2 7,-0.4 0.927 111.7 48.8 -60.5 -47.5 47.1 38.0 52.0 160 195 A E H 3< S+ 0 0 114 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.789 106.3 59.6 -63.8 -26.6 44.8 40.5 53.7 161 196 A K H 3< S+ 0 0 126 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.780 114.1 34.9 -72.4 -28.4 42.2 37.7 54.0 162 197 A H XX + 0 0 41 -4,-1.0 4,-2.3 -3,-0.8 3,-0.5 -0.696 68.8 170.0-128.9 77.0 44.6 35.5 56.0 163 198 A P H 3> S+ 0 0 84 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.812 76.3 57.8 -60.6 -35.4 46.7 37.9 58.2 164 199 A E H 3> S+ 0 0 120 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.868 110.5 43.2 -65.6 -36.7 48.2 35.1 60.3 165 200 A I H <> S+ 0 0 12 -3,-0.5 4,-2.4 2,-0.2 5,-0.3 0.925 113.9 51.0 -72.0 -45.3 49.7 33.5 57.2 166 201 A K H X S+ 0 0 73 -4,-2.3 4,-1.6 -7,-0.4 -2,-0.2 0.897 113.8 44.8 -59.8 -41.5 50.8 36.9 55.7 167 202 A G H < S+ 0 0 50 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.852 112.0 53.0 -69.2 -36.7 52.5 37.7 59.0 168 203 A K H < S+ 0 0 85 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.876 117.3 35.2 -66.9 -39.9 54.1 34.2 59.3 169 204 A I H >< S+ 0 0 0 -4,-2.4 3,-2.2 34,-0.1 -1,-0.2 0.725 86.9 114.2 -91.3 -21.8 55.6 34.3 55.8 170 205 A K T 3< S+ 0 0 144 -4,-1.6 35,-0.2 -5,-0.3 3,-0.1 -0.284 92.6 0.3 -57.6 121.5 56.6 37.9 55.5 171 206 A G T 3 S+ 0 0 41 33,-2.8 2,-0.3 1,-0.3 -1,-0.3 0.467 90.9 145.0 81.9 0.5 60.4 38.4 55.4 172 207 A K < - 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0 0 4 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 -0.192 30.4-178.1 -80.7 153.6 52.3 31.4 37.8 283 318 A T > - 0 0 1 -4,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.887 46.7-100.9-130.3 166.3 49.9 32.9 35.2 284 319 A P H > S+ 0 0 10 0, 0.0 4,-1.1 0, 0.0 -251,-0.1 0.927 124.9 44.5 -54.9 -40.2 47.2 35.4 35.7 285 320 A L H > S+ 0 0 27 1,-0.2 4,-1.3 2,-0.2 -252,-0.0 0.874 111.4 50.9 -72.1 -39.4 44.6 32.5 35.6 286 321 A S H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.855 102.7 61.7 -68.4 -32.8 46.5 30.1 37.8 287 322 A I H >X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 3,-0.6 0.953 105.8 43.5 -60.3 -51.9 47.0 32.6 40.6 288 323 A N H 3< S+ 0 0 88 -4,-1.1 4,-0.3 1,-0.2 -1,-0.2 0.884 115.9 51.1 -59.8 -35.6 43.3 33.2 41.3 289 324 A Y H 3< S+ 0 0 90 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.742 127.2 16.7 -73.7 -25.8 42.7 29.4 41.1 290 325 A T H S+ 0 0 77 -4,-0.3 4,-1.8 -5,-0.2 -1,-0.2 0.945 114.9 42.1 -60.7 -44.9 44.6 30.4 48.8 293 328 A E H > S+ 0 0 99 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.858 114.1 51.2 -73.4 -35.7 45.9 26.9 48.8 294 329 A Y H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.947 111.0 47.8 -64.6 -49.6 49.5 27.8 48.0 295 330 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.870 109.9 53.8 -59.0 -37.1 49.6 30.4 50.8 296 331 A N H X S+ 0 0 82 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.930 111.6 44.7 -63.6 -42.8 48.1 27.9 53.2 297 332 A L H X S+ 0 0 38 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.921 115.6 46.3 -67.1 -45.6 50.9 25.4 52.4 298 333 A L H X S+ 0 0 2 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.892 112.1 52.3 -64.0 -40.4 53.6 28.0 52.6 299 334 A G H X S+ 0 0 3 -4,-2.8 4,-1.3 -5,-0.2 -2,-0.2 0.918 107.5 50.8 -61.9 -44.3 52.2 29.4 55.8 300 335 A N H < S+ 0 0 74 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.886 111.7 48.1 -63.4 -38.2 52.2 25.9 57.4 301 336 A A H >< S+ 0 0 6 -4,-1.9 3,-1.5 1,-0.2 4,-0.2 0.902 107.5 55.3 -65.4 -42.9 55.8 25.3 56.5 302 337 A C H >< S+ 0 0 1 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.749 92.1 71.9 -66.4 -23.6 56.9 28.7 57.8 303 338 A K T 3< S+ 0 0 139 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.820 96.9 52.3 -57.6 -29.8 55.5 28.0 61.2 304 339 A N T < S+ 0 0 81 -3,-1.5 -38,-0.3 -4,-0.4 -1,-0.3 0.529 80.7 121.1 -87.8 -6.6 58.4 25.5 61.6 305 340 A A < 0 0 11 -3,-1.4 -68,-0.1 -4,-0.2 -69,-0.1 -0.396 360.0 360.0 -65.6 132.8 61.1 28.0 60.8 306 341 A K 0 0 180 -70,-0.2 -1,-0.2 -2,-0.1 -2,-0.1 -0.522 360.0 360.0 82.2 360.0 63.7 28.5 63.6