==== 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 09-OCT-09 3K6V . COMPND 2 MOLECULE: SOLUTE-BINDING PROTEIN MA_0280; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA ACETIVORANS; . AUTHOR S.CHAN,I.GIUROIU,I.CHERNISHOF,M.R.SAWAYA,J.CHIANG,R.P.GUNSAL . 312 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13427.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 11.2 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 19 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.9 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 3 2 1 1 0 2 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 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 PARALLEL BRIDGES PER LADDER . 0 0 2 5 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 . 0 0 1 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 41 A E 0 0 135 0, 0.0 29,-3.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 171.5 39.1 45.8 -16.4 2 42 A V E -a 30 0A 58 27,-0.2 2,-0.5 29,-0.1 29,-0.2 -0.897 360.0-163.9-119.3 137.9 39.1 46.7 -12.7 3 43 A L E -a 31 0A 0 27,-2.2 29,-3.3 -2,-0.4 2,-0.6 -0.975 14.0-154.6-118.1 115.9 36.4 47.0 -10.0 4 44 A T E -a 32 0A 22 -2,-0.5 49,-2.5 27,-0.2 50,-1.8 -0.812 14.1-176.0 -95.0 119.6 37.5 48.9 -6.9 5 45 A V E -ab 33 54A 0 27,-2.2 29,-2.9 -2,-0.6 2,-0.6 -0.963 12.4-166.0-122.5 117.3 35.5 47.9 -3.8 6 46 A F E +ab 34 55A 2 48,-3.0 50,-2.5 -2,-0.5 2,-0.3 -0.916 25.6 166.4 -98.2 120.8 35.9 49.5 -0.3 7 47 A H E -ab 35 56A 0 27,-2.4 29,-1.8 -2,-0.6 50,-0.2 -0.976 40.9 -96.6-138.0 150.9 34.2 47.5 2.4 8 48 A A E > -a 36 0A 2 48,-1.7 3,-1.9 -2,-0.3 29,-0.2 -0.288 40.3-116.2 -54.3 143.5 34.0 47.1 6.1 9 49 A G G > S+ 0 0 36 27,-1.8 3,-2.1 1,-0.3 4,-0.2 0.861 114.0 61.7 -51.5 -41.6 36.3 44.4 7.5 10 50 A S G 3 S+ 0 0 57 1,-0.3 -1,-0.3 26,-0.2 3,-0.2 0.606 97.1 60.4 -66.4 -11.5 33.3 42.4 8.8 11 51 A L G <> S+ 0 0 0 -3,-1.9 4,-2.4 1,-0.1 -1,-0.3 0.349 76.8 102.7 -91.5 5.2 32.1 42.1 5.2 12 52 A S H <> S+ 0 0 26 -3,-2.1 4,-2.0 1,-0.2 5,-0.2 0.908 76.8 45.9 -60.4 -51.4 35.3 40.3 4.1 13 53 A V H > S+ 0 0 54 -4,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.938 118.0 41.4 -61.3 -50.6 34.0 36.7 3.9 14 54 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.902 115.6 50.6 -64.3 -37.7 30.8 37.4 2.0 15 55 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.777 106.1 56.3 -72.0 -26.6 32.6 39.9 -0.3 16 56 A E H X S+ 0 0 98 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.907 109.4 46.1 -63.1 -44.6 35.3 37.3 -1.0 17 57 A E H X S+ 0 0 72 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.846 112.6 50.5 -67.4 -36.4 32.5 34.9 -2.2 18 58 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.899 108.1 52.7 -66.5 -43.2 31.0 37.8 -4.2 19 59 A E H X S+ 0 0 45 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.921 110.5 47.9 -55.5 -47.9 34.3 38.5 -5.8 20 60 A A H X S+ 0 0 60 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.917 115.2 43.6 -61.4 -47.4 34.8 34.9 -6.9 21 61 A E H X S+ 0 0 79 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.885 113.8 50.8 -66.9 -41.1 31.2 34.6 -8.3 22 62 A F H X S+ 0 0 1 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.882 111.9 46.6 -66.1 -40.8 31.4 38.0 -10.1 23 63 A E H < S+ 0 0 58 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.795 109.9 54.8 -70.4 -29.9 34.8 37.1 -11.7 24 64 A A H < S+ 0 0 76 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.820 114.3 40.4 -69.8 -33.2 33.4 33.7 -12.7 25 65 A Q H < S+ 0 0 100 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.724 122.5 43.0 -84.9 -26.3 30.5 35.5 -14.5 26 66 A H S >< S- 0 0 45 -4,-1.7 3,-1.3 -5,-0.2 -1,-0.2 -0.840 71.7-170.0-126.3 93.3 32.7 38.2 -15.9 27 67 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.830 81.7 43.8 -51.5 -50.7 36.0 36.7 -17.2 28 68 A G T 3 S+ 0 0 61 2,-0.0 2,-0.3 -26,-0.0 -5,-0.1 0.525 90.5 108.6 -78.8 -6.2 38.1 39.9 -17.9 29 69 A V < - 0 0 11 -3,-1.3 2,-0.6 -6,-0.2 -27,-0.2 -0.538 50.7-161.0 -83.4 133.8 37.2 41.6 -14.6 30 70 A D E -a 2 0A 70 -29,-3.2 -27,-2.2 -2,-0.3 2,-0.6 -0.913 10.4-155.2-112.6 101.6 39.6 42.1 -11.8 31 71 A V E -a 3 0A 5 -2,-0.6 2,-0.7 -29,-0.2 -27,-0.2 -0.677 8.3-167.9 -79.5 118.6 37.8 42.8 -8.5 32 72 A Q E -a 4 0A 91 -29,-3.3 -27,-2.2 -2,-0.6 2,-0.3 -0.879 7.0-168.8-113.0 98.5 40.1 44.7 -6.1 33 73 A R E -a 5 0A 71 -2,-0.7 2,-0.4 -29,-0.2 -27,-0.2 -0.614 10.0-162.6 -86.5 143.5 38.7 44.8 -2.6 34 74 A E E -a 6 0A 76 -29,-2.9 -27,-2.4 -2,-0.3 2,-0.4 -0.978 10.8-156.3-123.8 116.8 40.1 47.0 0.2 35 75 A A E +a 7 0A 57 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.788 32.5 127.3 -95.2 133.0 39.0 46.0 3.7 36 76 A A E -a 8 0A 23 -29,-1.8 -27,-1.8 -2,-0.4 -26,-0.2 -0.909 63.0 -57.1-158.9-178.3 39.0 48.6 6.6 37 77 A G > - 0 0 47 -2,-0.3 4,-2.7 -29,-0.2 5,-0.2 -0.398 55.6-112.8 -65.3 154.0 36.7 50.0 9.3 38 78 A S H > S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.918 115.9 44.3 -59.4 -50.3 33.5 51.5 7.9 39 79 A A H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.878 114.8 50.6 -62.3 -39.5 34.2 55.1 8.7 40 80 A Q H > S+ 0 0 79 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.886 108.5 52.1 -63.6 -41.8 37.8 54.7 7.4 41 81 A S H X S+ 0 0 0 -4,-2.7 4,-0.6 1,-0.2 -2,-0.2 0.889 112.9 45.2 -61.4 -41.7 36.4 53.2 4.2 42 82 A V H >X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 3,-1.1 0.900 107.9 56.9 -67.4 -44.3 34.1 56.2 3.8 43 83 A R H 3X>S+ 0 0 108 -4,-2.5 4,-2.2 1,-0.3 5,-2.1 0.755 94.7 67.2 -62.8 -26.7 36.8 58.7 4.6 44 84 A K H 3<5S+ 0 0 15 -4,-1.3 6,-2.8 3,-0.2 -1,-0.3 0.885 113.3 31.6 -56.0 -40.3 39.0 57.3 1.8 45 85 A I H <<5S+ 0 0 0 -3,-1.1 4,-0.3 -4,-0.6 -2,-0.2 0.894 125.9 41.1 -84.2 -45.4 36.4 58.7 -0.6 46 86 A T H <5S+ 0 0 16 -4,-2.5 -3,-0.2 2,-0.1 -2,-0.2 0.640 134.8 11.1 -84.6 -17.2 35.2 61.8 1.3 47 87 A E T <5S+ 0 0 150 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.1 0.655 125.5 49.1-127.6 -41.0 38.5 63.1 2.6 48 88 A L S S- 0 0 67 196,-0.1 3,-1.9 193,-0.1 4,-0.3 -0.910 74.7-163.4-127.9 103.0 26.7 51.2 9.5 60 100 A Y T > S+ 0 0 63 193,-2.8 3,-1.9 -2,-0.4 194,-0.1 0.808 84.3 70.3 -54.0 -33.5 24.5 52.2 6.7 61 101 A A T 3> S+ 0 0 37 1,-0.3 4,-2.0 192,-0.2 -1,-0.3 0.672 82.2 72.3 -63.8 -20.4 23.9 55.6 8.3 62 102 A L H <> S+ 0 0 32 -3,-1.9 4,-2.3 2,-0.2 5,-0.5 0.786 90.9 60.8 -62.8 -28.4 27.5 56.7 7.6 63 103 A I H <>>S+ 0 0 0 -3,-1.9 4,-2.5 -4,-0.3 5,-1.5 0.975 110.9 34.4 -67.9 -56.2 26.5 57.0 3.9 64 104 A P H 45S+ 0 0 41 0, 0.0 -2,-0.2 0, 0.0 -1,-0.2 0.881 120.3 53.5 -64.4 -34.0 23.8 59.7 4.3 65 105 A S H <5S+ 0 0 89 -4,-2.0 -2,-0.2 1,-0.1 -3,-0.2 0.898 129.2 11.0 -64.5 -42.5 25.8 61.3 7.1 66 106 A L H <5S+ 0 0 78 -4,-2.3 -3,-0.2 -5,-0.1 -1,-0.1 0.668 132.6 37.1-115.0 -23.4 29.1 61.7 5.3 67 107 A M T X>S+ 0 0 1 -4,-2.5 4,-3.4 -5,-0.5 5,-1.5 0.750 81.4 122.6-106.4 -32.2 28.6 61.0 1.5 68 108 A V T 4 - 0 0 15 112,-0.4 3,-1.7 -2,-0.3 6,-0.1 -0.809 43.0 -87.3-134.8 179.0 29.0 25.1 23.1 89 129 A N T 3 S+ 0 0 160 1,-0.3 6,-0.1 -2,-0.2 5,-0.1 0.553 126.1 58.6 -64.1 -9.0 28.4 21.5 24.2 90 130 A E T 3 S+ 0 0 110 104,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.474 81.6 111.8 -96.8 -6.4 30.7 22.3 27.2 91 131 A S S X S- 0 0 11 -3,-1.7 3,-1.7 109,-0.1 4,-0.3 -0.492 77.8-106.5 -75.2 135.8 28.5 25.2 28.5 92 132 A K T 3 S- 0 0 95 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.416 101.5 -0.4 -60.5 127.6 26.7 24.7 31.8 93 133 A Y T >> S+ 0 0 77 -2,-0.2 4,-1.6 1,-0.1 3,-1.0 0.633 84.0 142.3 65.1 20.0 22.9 24.2 31.2 94 134 A G T <4 + 0 0 11 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.799 69.4 57.8 -56.4 -32.2 23.3 24.5 27.4 95 135 A D T 34 S+ 0 0 150 -4,-0.3 -1,-0.3 1,-0.2 -3,-0.1 0.781 111.2 42.4 -68.5 -29.1 20.7 21.8 27.0 96 136 A E T <4 S+ 0 0 83 -3,-1.0 -2,-0.2 2,-0.0 -1,-0.2 0.768 90.6 106.5 -84.0 -31.7 18.2 24.0 29.0 97 137 A I < + 0 0 11 -4,-1.6 2,-0.3 5,-0.1 5,-0.0 -0.221 37.5 144.4 -71.7 139.2 18.9 27.4 27.5 98 138 A N >> - 0 0 66 119,-0.1 4,-1.3 1,-0.0 3,-0.8 -0.914 62.9 -79.7-154.1-179.7 16.5 29.1 25.0 99 139 A T T 34 S+ 0 0 51 -2,-0.3 4,-0.2 1,-0.2 -2,-0.1 0.796 124.9 50.1 -58.8 -30.6 15.1 32.5 24.0 100 140 A D T 34 S+ 0 0 122 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.752 123.5 24.1 -79.7 -26.1 12.7 32.5 26.9 101 141 A N T X> S+ 0 0 33 -3,-0.8 4,-1.9 -5,-0.1 3,-0.9 0.305 78.1 114.6-128.3 7.3 15.1 31.7 29.7 102 142 A W H 3X S+ 0 0 0 -4,-1.3 4,-2.0 1,-0.3 5,-0.1 0.869 82.9 48.9 -54.8 -42.7 18.6 32.7 28.8 103 143 A Y H 3> S+ 0 0 30 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.770 106.9 56.4 -70.4 -27.0 18.9 35.4 31.4 104 144 A E H <> S+ 0 0 73 -3,-0.9 4,-0.5 2,-0.2 -1,-0.2 0.889 107.5 49.1 -69.0 -40.3 17.7 33.0 34.1 105 145 A I H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.921 110.2 51.0 -60.0 -45.6 20.5 30.7 33.2 106 146 A L H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.779 101.7 62.8 -65.8 -26.8 23.0 33.6 33.4 107 147 A R H 3< S+ 0 0 67 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.684 78.2 105.5 -68.5 -20.6 21.6 34.4 36.9 108 148 A R S X< S- 0 0 49 -3,-1.3 3,-2.0 -4,-0.5 -3,-0.0 -0.471 76.5-131.7 -68.3 130.6 22.8 31.0 38.2 109 149 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.735 103.1 54.2 -59.4 -27.2 25.9 31.6 40.4 110 150 A D T 3 S+ 0 0 62 2,-0.0 2,-0.4 70,-0.0 -18,-0.1 0.493 89.3 94.7 -85.7 -4.4 27.9 28.8 38.7 111 151 A V < - 0 0 0 -3,-2.0 2,-0.4 -6,-0.2 -20,-0.0 -0.753 57.5-162.7 -93.7 130.9 27.4 30.2 35.2 112 152 A R - 0 0 41 -2,-0.4 88,-2.8 69,-0.0 89,-1.6 -0.946 6.1-169.6-115.0 133.8 30.1 32.5 33.7 113 153 A Y E -hi 181 201B 0 67,-2.7 69,-2.0 -2,-0.4 2,-0.3 -0.910 7.6-146.5-123.9 151.3 29.5 34.8 30.7 114 154 A G E +hi 182 202B 0 87,-2.7 89,-2.3 -2,-0.3 2,-0.3 -0.850 18.8 165.3-115.8 149.3 31.9 36.9 28.6 115 155 A F E -h 183 0B 0 67,-2.0 69,-1.2 -2,-0.3 9,-0.1 -0.969 35.5 -98.7-154.5 160.9 31.5 40.2 26.8 116 156 A S E -h 184 0B 0 87,-0.4 69,-0.2 -2,-0.3 11,-0.1 -0.290 53.3 -76.8 -78.1 162.6 33.8 42.7 25.2 117 157 A N > - 0 0 5 67,-1.7 4,-2.6 1,-0.2 7,-0.5 -0.440 38.5-151.7 -59.0 118.6 35.2 45.9 26.7 118 158 A P T 4 S+ 0 0 0 0, 0.0 7,-0.2 0, 0.0 -1,-0.2 0.645 91.4 56.7 -75.2 -14.1 32.2 48.4 26.5 119 159 A N T 4 S+ 0 0 12 122,-0.1 124,-0.1 1,-0.1 122,-0.1 0.847 123.1 20.7 -75.1 -36.2 34.6 51.4 26.3 120 160 A D T 4 S+ 0 0 112 -3,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.679 115.5 57.8-112.8 -25.7 36.4 50.2 23.2 121 161 A D >X - 0 0 38 -4,-2.6 4,-1.7 1,-0.1 3,-1.0 -0.957 61.2-147.0-119.0 125.8 34.3 47.6 21.3 122 162 A P H 3> S+ 0 0 47 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.881 105.0 58.6 -52.6 -39.1 30.8 48.2 20.0 123 163 A A H 3> S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -7,-0.1 0.828 104.5 54.7 -59.6 -30.7 30.1 44.5 20.7 124 164 A G H <> S+ 0 0 0 -3,-1.0 4,-1.0 -7,-0.5 3,-0.2 0.951 111.4 38.4 -67.8 -54.9 30.9 45.4 24.3 125 165 A Y H X S+ 0 0 37 -4,-1.7 4,-2.0 -8,-0.4 -2,-0.2 0.837 113.3 59.5 -68.2 -27.6 28.5 48.2 24.8 126 166 A R H X S+ 0 0 42 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.846 97.1 59.5 -66.0 -34.3 26.0 46.3 22.8 127 167 A S H X S+ 0 0 0 -4,-1.4 4,-1.6 -3,-0.2 -1,-0.2 0.886 108.8 45.3 -58.4 -38.2 26.1 43.5 25.3 128 168 A Q H X S+ 0 0 0 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.898 111.7 51.4 -72.6 -42.4 24.9 46.0 27.9 129 169 A M H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.917 110.3 48.1 -59.0 -49.3 22.2 47.5 25.7 130 170 A V H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.909 111.9 50.0 -60.9 -43.8 20.7 44.1 24.9 131 171 A T H < S+ 0 0 0 -4,-1.6 4,-0.5 -5,-0.2 -1,-0.2 0.879 113.1 45.9 -64.6 -38.5 20.7 43.0 28.5 132 172 A Q H >< S+ 0 0 27 -4,-2.1 3,-1.3 1,-0.2 4,-0.5 0.911 110.5 52.3 -71.7 -42.9 19.0 46.3 29.6 133 173 A L H >X S+ 0 0 7 -4,-2.6 4,-1.4 1,-0.3 3,-0.5 0.786 96.1 71.5 -62.8 -27.8 16.4 46.1 26.8 134 174 A A H 3X S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.2 -1,-0.3 0.793 85.1 69.4 -57.0 -30.3 15.6 42.6 27.9 135 175 A E H <>>S+ 0 0 33 -3,-1.3 5,-2.0 -4,-0.5 4,-0.7 0.918 102.8 39.3 -58.5 -50.0 13.9 44.0 31.1 136 176 A S H <45S+ 0 0 86 -3,-0.5 -1,-0.2 -4,-0.5 -2,-0.2 0.867 116.8 52.0 -68.4 -37.3 10.9 45.6 29.2 137 177 A Y H <5S+ 0 0 120 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.920 120.5 31.1 -65.3 -46.3 10.6 42.6 26.9 138 178 A Y H <5S- 0 0 34 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.391 105.7-121.9 -94.3 1.4 10.5 40.0 29.6 139 179 A N T <5S+ 0 0 151 -4,-0.7 2,-0.4 -5,-0.2 -3,-0.2 0.923 71.6 127.7 54.3 49.9 8.8 42.2 32.2 140 180 A D > < - 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0 0 19 -5,-0.1 -4,-2.9 1,-0.1 2,-0.4 -0.480 54.0-124.8 -69.9 134.0 15.8 56.6 28.5 164 204 A A E -Jk 158 237C 7 72,-2.6 74,-2.7 -6,-0.2 2,-0.6 -0.692 23.5-157.5 -78.8 129.3 18.1 54.2 30.5 165 205 A L E -Jk 157 238C 23 -8,-3.3 -8,-2.4 -2,-0.4 2,-0.4 -0.929 2.3-160.3-115.6 109.9 21.6 55.5 30.7 166 206 A I E -Jk 156 239C 0 72,-3.0 74,-3.7 -2,-0.6 2,-0.6 -0.751 9.7-151.1 -87.4 128.7 24.4 53.0 31.4 167 207 A H E -Jk 155 240C 34 -12,-3.3 -12,-1.9 -2,-0.4 74,-0.2 -0.906 6.0-162.5-106.7 119.3 27.6 54.6 32.7 168 208 A V - 0 0 5 72,-3.4 -14,-0.1 -2,-0.6 3,-0.1 -0.890 10.2-154.9-100.8 121.1 30.9 52.9 32.0 169 209 A P - 0 0 26 0, 0.0 73,-0.4 0, 0.0 5,-0.1 -0.130 48.4 -49.5 -78.0-176.8 33.9 53.9 34.2 170 210 A A >> - 0 0 16 72,-0.1 3,-2.9 1,-0.1 4,-0.6 -0.252 60.5-113.2 -50.2 140.8 37.6 53.7 33.3 171 211 A S H >> S+ 0 0 40 1,-0.3 3,-1.2 2,-0.2 4,-0.6 0.868 120.0 53.0 -49.1 -42.3 38.3 50.3 31.9 172 212 A E H 34 S+ 0 0 154 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.550 108.2 53.3 -70.5 -8.0 40.5 49.5 34.9 173 213 A E H <4 S+ 0 0 121 -3,-2.9 -1,-0.2 1,-0.1 -2,-0.2 0.423 83.8 81.5-106.3 -3.8 37.6 50.5 37.1 174 214 A I H << + 0 0 1 -3,-1.2 -21,-2.0 -4,-0.6 -20,-0.3 0.903 67.6 176.3 -65.1 -40.8 35.0 48.2 35.6 175 215 A S < - 0 0 83 -4,-0.6 -3,-0.1 -23,-0.2 3,-0.0 0.834 18.0-151.3 41.8 63.1 36.6 45.5 37.8 176 216 A P - 0 0 36 0, 0.0 2,-0.9 0, 0.0 -24,-0.2 -0.245 22.3-107.0 -65.4 148.7 34.2 42.6 37.0 177 217 A N >> - 0 0 69 -26,-2.5 4,-2.5 1,-0.2 3,-1.7 -0.706 33.8-155.0 -68.1 106.5 33.4 39.8 39.4 178 218 A T T 34 S+ 0 0 91 -2,-0.9 -1,-0.2 1,-0.3 -27,-0.0 0.611 87.7 66.5 -72.2 -12.9 35.5 37.1 37.6 179 219 A S T 34 S+ 0 0 85 1,-0.1 -1,-0.3 -67,-0.0 3,-0.1 0.777 119.3 24.4 -69.4 -27.1 33.4 34.3 39.0 180 220 A K T <4 S+ 0 0 17 -3,-1.7 -67,-2.7 1,-0.2 2,-0.4 0.729 125.1 40.3-106.3 -32.5 30.6 35.7 36.9 181 221 A I E < -h 113 0B 0 -4,-2.5 2,-0.5 -69,-0.2 -67,-0.2 -0.945 46.3-164.0-131.2 139.9 32.2 37.6 34.0 182 222 A M E -h 114 0B 3 -69,-2.0 -67,-2.0 -2,-0.4 2,-0.5 -0.993 21.4-174.5-113.5 121.4 35.1 37.5 31.6 183 223 A L E +h 115 0B 23 -2,-0.5 2,-0.3 -69,-0.2 -67,-0.2 -0.971 8.4 169.5-119.0 125.4 35.7 40.9 30.1 184 224 A R E -h 116 0B 81 -69,-1.2 -67,-1.7 -2,-0.5 3,-0.1 -0.978 37.8-147.5-137.0 149.6 38.3 41.4 27.4 185 225 A S S S+ 0 0 78 -2,-0.3 2,-0.7 -69,-0.2 -1,-0.1 0.887 93.6 61.4 -75.0 -43.3 39.5 44.0 24.9 186 226 A M S >> S- 0 0 117 1,-0.2 3,-1.8 -70,-0.1 4,-0.7 -0.789 73.6-154.7 -94.4 112.8 40.4 41.4 22.3 187 227 A E H >> S+ 0 0 44 -2,-0.7 4,-2.2 1,-0.3 3,-0.8 0.792 90.1 67.7 -57.5 -31.7 37.4 39.4 21.2 188 228 A V H 3> S+ 0 0 100 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.803 94.4 58.7 -62.2 -27.0 39.5 36.4 20.2 189 229 A E H <> S+ 0 0 93 -3,-1.8 4,-1.7 2,-0.2 -1,-0.3 0.863 108.3 45.9 -65.2 -35.9 40.4 35.9 23.9 190 230 A L H S+ 0 0 1 -4,-1.7 5,-1.7 1,-0.2 6,-1.3 0.859 109.8 48.4 -62.9 -38.0 37.6 31.0 26.3 194 234 A L H ><5S+ 0 0 0 -4,-2.0 3,-0.6 4,-0.2 -1,-0.2 0.908 109.0 54.1 -67.5 -41.2 34.2 29.8 25.1 195 235 A E H 3<5S+ 0 0 111 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.858 113.0 42.1 -59.2 -38.8 35.9 27.1 23.0 196 236 A T H 3<5S- 0 0 88 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.536 115.4-113.2 -88.2 -8.7 37.8 25.7 26.0 197 237 A G T <<5S+ 0 0 27 -4,-0.7 -3,-0.2 -3,-0.6 -105,-0.1 0.510 79.4 129.0 86.5 6.6 34.8 26.0 28.4 198 238 A E S -F 83 0B 32 -2,-0.3 4,-2.0 -122,-0.2 3,-0.3 -0.440 38.4-119.1 -71.2 150.7 27.4 38.8 16.8 206 246 A R H > S+ 0 0 53 -124,-2.3 4,-2.7 1,-0.2 5,-0.2 0.854 113.6 59.6 -55.3 -39.2 25.7 35.8 15.0 207 247 A S H > S+ 0 0 5 81,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.904 106.8 46.1 -57.5 -45.1 28.3 36.1 12.2 208 248 A V H > S+ 0 0 17 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.916 111.9 50.8 -65.2 -45.8 31.1 35.5 14.7 209 249 A A H X>S+ 0 0 0 -4,-2.0 5,-2.8 1,-0.2 4,-0.6 0.918 112.4 46.7 -57.9 -45.2 29.3 32.6 16.3 210 250 A E H ><5S+ 0 0 63 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.872 109.1 54.5 -68.1 -36.3 28.7 30.9 13.0 211 251 A Q H 3<5S+ 0 0 99 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.861 114.2 41.5 -62.5 -36.8 32.3 31.4 11.9 212 252 A H H 3<5S- 0 0 82 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.483 113.1-118.0 -88.7 -5.4 33.5 29.6 15.0 213 253 A G T <<5 + 0 0 65 -4,-0.6 -3,-0.2 -3,-0.5 2,-0.2 0.771 59.3 157.9 69.9 27.1 30.8 26.9 14.8 214 254 A F < - 0 0 12 -5,-2.8 -1,-0.2 -6,-0.2 -126,-0.2 -0.509 42.2-123.8 -77.2 149.4 29.3 28.0 18.2 215 255 A E E -G 87 0B 118 -128,-2.3 -128,-2.6 -2,-0.2 2,-0.3 -0.489 37.3-169.2 -76.2 161.5 25.8 27.2 19.1 216 256 A Y E -G 86 0B 61 -130,-0.3 2,-0.6 -2,-0.2 -130,-0.2 -0.997 29.0-123.4-155.3 155.5 23.7 30.2 20.1 217 257 A V E -G 85 0B 5 -132,-2.5 -132,-1.7 -2,-0.3 2,-0.3 -0.883 31.9-136.1 -92.6 122.1 20.5 31.5 21.5 218 258 A A E -G 84 0B 45 -2,-0.6 -134,-0.1 -134,-0.2 -135,-0.0 -0.642 22.4-145.1 -73.7 135.5 18.6 33.8 19.1 219 259 A L - 0 0 7 -136,-0.5 5,-0.1 -2,-0.3 -120,-0.1 -0.719 27.3 -85.0-104.4 155.2 17.3 36.8 20.9 220 260 A P >> - 0 0 7 0, 0.0 3,-2.1 0, 0.0 4,-1.7 -0.310 32.6-127.1 -59.3 139.3 14.1 38.7 20.3 221 261 A P T 34 S+ 0 0 61 0, 0.0 6,-0.5 0, 0.0 4,-0.4 0.761 107.4 70.5 -57.4 -25.4 14.3 41.3 17.5 222 262 A A T 34 S+ 0 0 12 1,-0.2 -85,-0.0 2,-0.1 -3,-0.0 0.745 118.4 17.1 -61.0 -23.5 12.9 43.8 20.0 223 263 A I T <4 S+ 0 0 0 -3,-2.1 -1,-0.2 -140,-0.1 -90,-0.2 0.534 105.6 81.2-124.8 -11.2 16.2 43.7 21.9 224 264 A D S < S- 0 0 5 -4,-1.7 -141,-2.3 -5,-0.1 -2,-0.1 0.409 88.4-126.8 -90.4 3.1 18.9 42.1 19.6 225 265 A L S S+ 0 0 0 -4,-0.4 27,-2.8 -143,-0.2 -144,-0.2 0.626 78.7 111.4 68.2 19.1 19.7 45.3 17.6 226 266 A S + 0 0 8 -5,-0.3 2,-0.5 25,-0.2 -1,-0.1 0.654 55.6 75.4 -94.9 -19.3 19.1 43.6 14.3 227 267 A S > - 0 0 16 -6,-0.5 3,-1.6 1,-0.1 -2,-0.1 -0.874 55.2-156.9-120.1 124.1 16.0 45.2 12.9 228 268 A L G > S+ 0 0 36 -2,-0.5 3,-1.5 1,-0.3 4,-0.2 0.843 98.7 63.2 -53.8 -36.3 15.3 48.6 11.4 229 269 A E G 3 S+ 0 0 143 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.637 101.9 49.2 -68.8 -17.3 11.7 48.3 12.4 230 270 A Y G X> S+ 0 0 101 -3,-1.6 4,-2.3 1,-0.1 3,-1.1 0.169 72.7 116.5-108.1 16.8 12.6 48.2 16.2 231 271 A A H <> S+ 0 0 33 -3,-1.5 4,-1.7 1,-0.3 -1,-0.1 0.845 74.1 54.8 -52.1 -40.4 14.9 51.3 16.0 232 272 A D H 34 S+ 0 0 138 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.748 109.7 47.0 -71.2 -24.0 12.5 53.2 18.4 233 273 A N H X4 S+ 0 0 34 -3,-1.1 3,-1.5 2,-0.1 -2,-0.2 0.886 109.7 52.6 -77.5 -42.2 12.8 50.4 21.0 234 274 A Y H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.3 15,-0.5 0.836 99.8 63.9 -60.6 -34.7 16.6 50.2 20.7 235 275 A S T 3< S+ 0 0 47 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.1 0.523 79.1 84.6 -71.8 -4.9 16.9 53.9 21.4 236 276 A K T < S+ 0 0 114 -3,-1.5 -72,-2.6 -73,-0.1 2,-0.4 0.454 89.2 58.4 -76.7 -0.9 15.5 53.5 24.9 237 277 A V E < +k 164 0C 0 -3,-1.3 12,-2.6 -74,-0.2 2,-0.3 -0.996 63.1 179.5-131.1 137.9 19.0 52.6 26.1 238 278 A Q E -kL 165 248C 42 -74,-2.7 -72,-3.0 -2,-0.4 2,-0.4 -0.938 15.1-147.2-130.5 154.6 22.2 54.6 25.9 239 279 A V E -kL 166 247C 0 8,-2.6 8,-2.6 -2,-0.3 2,-0.7 -0.991 3.7-155.8-127.4 124.2 25.7 53.9 27.1 240 280 A E E -kL 167 246C 64 -74,-3.7 -72,-3.4 -2,-0.4 6,-0.2 -0.896 16.8-153.0 -99.3 114.2 28.1 56.6 28.4 241 281 A M > - 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