==== 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 3K6U . 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) . 13594.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 74.7 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 . 36 11.5 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 . 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 . 21 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.2 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 3 0 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 4 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 . 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 0 140 0, 0.0 29,-3.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 136.8 20.5 14.5 45.3 2 42 A V E -a 30 0A 62 27,-0.2 2,-0.5 29,-0.1 29,-0.2 -0.948 360.0-161.4-115.9 137.1 20.1 13.6 41.6 3 43 A L E -a 31 0A 0 27,-2.5 29,-3.1 -2,-0.4 2,-0.6 -0.970 9.7-154.5-118.5 117.6 18.5 15.8 38.9 4 44 A T E -a 32 0A 19 -2,-0.5 49,-2.6 27,-0.2 50,-1.7 -0.808 13.9-176.8 -97.0 120.3 17.3 14.0 35.7 5 45 A V E -ab 33 54A 0 27,-2.2 29,-2.5 -2,-0.6 2,-0.6 -0.965 12.0-166.2-123.8 117.6 17.2 16.1 32.6 6 46 A F E +ab 34 55A 3 48,-2.9 50,-2.3 -2,-0.5 2,-0.3 -0.913 25.7 166.0-100.7 118.2 15.9 14.9 29.2 7 47 A H E -ab 35 56A 0 27,-2.4 29,-1.9 -2,-0.6 50,-0.2 -0.955 40.6 -96.3-137.4 151.8 16.9 17.4 26.5 8 48 A A E > -a 36 0A 3 48,-1.6 3,-2.4 -2,-0.3 29,-0.2 -0.330 40.4-115.4 -55.4 142.3 17.1 17.7 22.7 9 49 A G G > S+ 0 0 39 27,-1.7 3,-2.1 1,-0.3 4,-0.2 0.860 114.7 62.0 -47.8 -40.6 20.6 17.1 21.2 10 50 A S G 3 S+ 0 0 56 1,-0.3 -1,-0.3 26,-0.2 3,-0.2 0.619 96.8 59.9 -69.4 -8.5 20.8 20.7 20.0 11 51 A L G <> S+ 0 0 0 -3,-2.4 4,-2.5 1,-0.2 -1,-0.3 0.370 77.2 102.4 -94.8 6.2 20.5 21.9 23.7 12 52 A S H <> S+ 0 0 30 -3,-2.1 4,-1.9 1,-0.2 5,-0.2 0.906 76.5 46.4 -61.0 -49.6 23.6 20.0 24.6 13 53 A V H > S+ 0 0 58 -4,-0.2 4,-1.7 -3,-0.2 3,-0.2 0.962 118.0 40.7 -62.2 -52.2 26.2 22.9 24.7 14 54 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.894 114.1 53.8 -66.0 -34.4 24.0 25.4 26.8 15 55 A F H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.802 104.9 54.6 -70.2 -27.2 22.7 22.6 29.1 16 56 A E H X S+ 0 0 99 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.920 109.7 46.8 -64.7 -45.9 26.3 21.6 29.9 17 57 A E H X S+ 0 0 75 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.862 113.4 50.3 -62.8 -38.2 27.0 25.2 30.9 18 58 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.908 108.5 51.2 -63.8 -45.8 23.8 25.1 32.9 19 59 A E H X S+ 0 0 46 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.923 111.5 47.6 -55.7 -46.5 24.7 21.8 34.6 20 60 A A H X S+ 0 0 59 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.957 114.8 45.4 -60.6 -51.7 28.2 23.2 35.7 21 61 A E H X S+ 0 0 83 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.901 113.4 50.4 -59.7 -44.5 26.6 26.4 37.0 22 62 A F H X S+ 0 0 0 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.874 111.3 47.2 -62.5 -41.8 23.9 24.5 38.8 23 63 A E H < S+ 0 0 59 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.856 108.3 57.5 -69.4 -33.0 26.3 22.1 40.5 24 64 A A H < S+ 0 0 76 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.912 114.3 36.3 -61.0 -46.2 28.5 25.1 41.5 25 65 A Q H < S+ 0 0 98 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.583 123.6 46.3 -85.9 -10.8 25.7 26.8 43.4 26 66 A H >< - 0 0 46 -4,-1.0 3,-1.6 -5,-0.2 -1,-0.2 -0.729 69.4-175.9-131.5 86.4 24.3 23.5 44.6 27 67 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.772 77.3 53.4 -55.5 -38.1 27.2 21.3 46.0 28 68 A G T 3 S+ 0 0 63 2,-0.0 2,-0.3 -26,-0.0 -5,-0.1 0.621 87.7 107.4 -71.8 -11.0 25.2 18.1 46.8 29 69 A V < - 0 0 11 -3,-1.6 2,-0.7 -6,-0.2 -27,-0.2 -0.516 49.7-162.5 -94.2 129.6 23.6 17.7 43.4 30 70 A D E -a 2 0A 72 -29,-3.5 -27,-2.5 -2,-0.3 2,-0.7 -0.890 14.9-157.5-101.0 104.2 24.3 15.2 40.6 31 71 A V E -a 3 0A 6 -2,-0.7 2,-0.7 -29,-0.2 -27,-0.2 -0.737 7.3-168.1 -83.3 116.8 22.8 16.5 37.3 32 72 A Q E -a 4 0A 84 -29,-3.1 -27,-2.2 -2,-0.7 2,-0.2 -0.877 6.3-170.5-110.9 98.0 22.2 13.6 34.9 33 73 A R E -a 5 0A 73 -2,-0.7 2,-0.4 -29,-0.2 -27,-0.2 -0.611 9.2-165.5 -84.6 146.0 21.4 14.8 31.4 34 74 A E E -a 6 0A 79 -29,-2.5 -27,-2.4 -2,-0.2 2,-0.4 -0.985 10.7-156.0-129.4 117.7 20.2 12.5 28.6 35 75 A A E +a 7 0A 56 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.812 30.4 133.4 -95.5 135.9 20.4 13.9 25.1 36 76 A A E -a 8 0A 24 -29,-1.9 -27,-1.7 -2,-0.4 -26,-0.2 -0.921 61.4 -61.1-157.6-179.6 18.1 12.6 22.2 37 77 A G > - 0 0 47 -2,-0.3 4,-2.2 -29,-0.2 5,-0.1 -0.282 56.6-111.2 -61.6 161.3 15.9 13.9 19.5 38 78 A S H > S+ 0 0 18 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.946 116.2 45.1 -66.7 -49.8 12.9 16.0 20.9 39 79 A A H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 114.5 51.1 -59.9 -38.9 10.1 13.5 20.0 40 80 A Q H > S+ 0 0 80 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.885 108.2 51.4 -63.5 -42.4 12.3 10.7 21.4 41 81 A S H X S+ 0 0 0 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.912 112.1 46.9 -60.8 -44.0 12.9 12.6 24.6 42 82 A V H >X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 3,-0.8 0.911 108.2 55.5 -63.5 -43.8 9.1 13.1 25.1 43 83 A R H 3X>S+ 0 0 105 -4,-2.4 4,-2.4 1,-0.3 5,-2.2 0.763 94.8 66.8 -66.0 -26.3 8.3 9.5 24.3 44 84 A K H 3<5S+ 0 0 17 -4,-1.4 6,-2.5 3,-0.2 -1,-0.3 0.925 114.5 31.5 -55.0 -43.7 10.7 8.3 27.1 45 85 A I H <<5S+ 0 0 0 -4,-0.8 4,-0.5 -3,-0.8 -2,-0.2 0.931 125.9 40.9 -78.6 -49.1 8.2 9.9 29.5 46 86 A T H <5S+ 0 0 14 -4,-2.7 -3,-0.2 2,-0.1 -2,-0.2 0.652 135.0 11.9 -81.6 -17.1 4.9 9.5 27.6 47 87 A E T <5S+ 0 0 140 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.663 125.3 49.1-124.0 -43.5 5.5 5.8 26.3 48 88 A L S S- 0 0 66 196,-0.1 3,-2.0 193,-0.1 4,-0.4 -0.886 75.4-161.1-131.8 105.9 9.9 22.1 19.3 60 100 A Y T > S+ 0 0 65 193,-2.5 3,-1.7 -2,-0.4 194,-0.1 0.804 83.9 71.3 -57.0 -30.2 7.8 23.5 22.1 61 101 A A T 3> S+ 0 0 37 1,-0.3 4,-2.0 192,-0.2 -1,-0.3 0.651 81.4 71.5 -66.6 -18.3 4.6 22.2 20.5 62 102 A L H <>>S+ 0 0 32 -3,-2.0 4,-3.2 2,-0.2 5,-0.6 0.824 92.0 61.6 -61.6 -32.0 5.5 18.6 21.3 63 103 A I H <>>S+ 0 0 0 -3,-1.7 4,-2.3 -4,-0.4 5,-1.3 0.975 111.1 32.4 -63.9 -57.7 4.7 19.3 24.9 64 104 A P H 45S+ 0 0 42 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.901 121.7 53.8 -64.5 -34.4 1.0 20.4 24.6 65 105 A S H <5S+ 0 0 90 -4,-2.0 -2,-0.2 1,-0.1 -3,-0.2 0.914 128.6 11.1 -65.2 -46.2 0.6 17.8 21.7 66 106 A L H <5S+ 0 0 82 -4,-3.2 -3,-0.2 -5,-0.1 -1,-0.1 0.684 132.3 37.6-110.0 -22.7 2.0 14.7 23.6 67 107 A M T XXS+ 0 0 2 -4,-2.3 4,-3.5 -5,-0.6 5,-1.3 0.722 80.7 127.1-104.2 -26.9 2.3 15.5 27.3 68 108 A V T 4 - 0 0 14 112,-0.4 3,-2.0 -2,-0.3 6,-0.1 -0.851 42.3 -87.1-135.0-179.1 33.7 33.0 5.6 89 129 A N T 3 S+ 0 0 158 1,-0.3 6,-0.1 -2,-0.3 5,-0.1 0.623 125.4 58.3 -65.5 -11.2 36.4 35.4 4.6 90 130 A E T 3 S+ 0 0 112 104,-0.1 -1,-0.3 2,-0.1 2,-0.3 0.485 81.8 110.1 -92.9 -5.6 37.0 33.1 1.6 91 131 A S S X S- 0 0 10 -3,-2.0 3,-1.9 109,-0.1 4,-0.2 -0.553 78.7-104.5 -76.4 138.2 33.5 33.4 0.2 92 132 A K T 3 S+ 0 0 92 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.1 -0.354 102.3 1.5 -60.0 129.2 32.9 35.3 -3.1 93 133 A Y T >> S+ 0 0 83 -2,-0.1 4,-1.3 1,-0.1 3,-0.9 0.631 84.3 142.3 67.0 18.9 31.4 38.8 -2.5 94 134 A G T <4 + 0 0 10 -3,-1.9 3,-0.2 1,-0.2 -2,-0.1 0.838 68.2 57.3 -57.1 -34.1 31.5 38.2 1.2 95 135 A D T 34 S+ 0 0 176 -4,-0.2 -1,-0.2 1,-0.2 -3,-0.1 0.796 111.1 43.1 -66.1 -29.9 32.5 41.9 1.7 96 136 A E T <4 S+ 0 0 94 -3,-0.9 -1,-0.2 2,-0.0 -2,-0.2 0.695 89.1 106.5 -83.4 -26.0 29.3 43.1 -0.2 97 137 A I < + 0 0 12 -4,-1.3 2,-0.3 -3,-0.2 5,-0.0 -0.292 37.4 145.7 -78.0 143.9 26.6 40.8 1.2 98 138 A N >> - 0 0 70 119,-0.1 4,-1.3 -2,-0.0 3,-0.7 -0.922 62.8 -79.1-158.7 178.2 24.0 41.9 3.7 99 139 A T T 34 S+ 0 0 53 -2,-0.3 4,-0.2 1,-0.2 3,-0.1 0.815 125.1 50.2 -59.5 -30.8 20.4 41.4 4.8 100 140 A D T 34 S+ 0 0 122 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.779 123.2 24.5 -78.1 -27.9 19.1 43.6 1.9 101 141 A N T X> S+ 0 0 32 -3,-0.7 4,-2.0 -5,-0.1 3,-1.0 0.321 78.8 113.0-125.1 8.6 21.0 41.9 -1.0 102 142 A W H 3X S+ 0 0 0 -4,-1.3 4,-2.2 1,-0.3 5,-0.2 0.868 82.4 50.4 -58.9 -40.0 21.9 38.3 -0.1 103 143 A Y H 3> S+ 0 0 31 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.784 107.0 55.4 -71.7 -24.6 19.7 36.7 -2.7 104 144 A E H <> S+ 0 0 73 -3,-1.0 4,-0.6 2,-0.2 -1,-0.2 0.915 107.7 49.2 -69.9 -42.8 21.2 38.9 -5.4 105 145 A I H >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 6,-0.2 0.932 109.8 52.2 -58.6 -45.9 24.7 37.7 -4.5 106 146 A L H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.796 102.1 60.8 -63.3 -26.5 23.4 34.1 -4.6 107 147 A R H 3< S+ 0 0 69 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.679 78.6 106.5 -72.2 -18.2 21.9 34.8 -8.1 108 148 A R S X< S- 0 0 50 -3,-1.4 3,-1.8 -4,-0.6 -3,-0.0 -0.446 77.0-129.4 -65.1 136.5 25.4 35.5 -9.5 109 149 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.766 104.0 53.7 -62.1 -26.8 26.6 32.6 -11.7 110 150 A D T 3 S+ 0 0 61 2,-0.0 2,-0.4 70,-0.0 -18,-0.1 0.512 89.5 94.6 -88.3 -3.4 30.0 32.2 -10.0 111 151 A V < - 0 0 0 -3,-1.8 2,-0.4 -6,-0.2 88,-0.0 -0.736 55.8-165.6 -92.7 130.8 28.5 31.9 -6.5 112 152 A R - 0 0 43 -2,-0.4 88,-2.6 69,-0.0 89,-1.4 -0.952 5.1-169.7-117.8 137.3 27.8 28.4 -5.1 113 153 A Y E -hi 181 201B 0 67,-2.8 69,-1.9 -2,-0.4 2,-0.3 -0.922 8.1-144.4-128.0 156.1 25.6 27.8 -2.0 114 154 A G E +hi 182 202B 0 87,-2.4 89,-2.3 -2,-0.3 2,-0.3 -0.803 19.8 163.9-120.4 151.7 24.9 24.7 0.2 115 155 A F E -h 183 0B 0 67,-1.8 69,-1.1 -2,-0.3 9,-0.1 -0.962 37.6 -96.8-159.6 157.8 21.9 23.3 2.0 116 156 A S E -h 184 0B 0 87,-0.3 69,-0.2 -2,-0.3 11,-0.1 -0.319 52.7 -79.8 -75.8 159.0 20.9 20.0 3.6 117 157 A N > - 0 0 5 67,-1.7 4,-2.4 1,-0.2 7,-0.4 -0.472 37.4-149.2 -57.5 118.0 18.7 17.3 1.9 118 158 A P T 4 S+ 0 0 0 0, 0.0 7,-0.3 0, 0.0 -1,-0.2 0.735 94.0 57.5 -72.2 -19.2 15.1 18.6 2.3 119 159 A N T 4 S+ 0 0 21 1,-0.1 122,-0.1 5,-0.1 124,-0.1 0.920 120.3 26.0 -64.5 -42.7 13.8 15.0 2.5 120 160 A D T 4 S+ 0 0 100 -3,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.752 117.1 49.5 -94.6 -37.0 16.0 14.1 5.5 121 161 A D >X - 0 0 36 -4,-2.4 4,-1.5 1,-0.1 3,-1.3 -0.949 59.8-145.4-128.3 124.2 16.8 17.1 7.4 122 162 A P H 3> S+ 0 0 50 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.855 106.8 60.8 -55.0 -35.5 14.6 19.9 8.7 123 163 A A H 3> S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 -7,-0.1 0.882 104.1 54.5 -54.5 -35.1 17.5 22.4 8.0 124 164 A G H <> S+ 0 0 0 -3,-1.3 4,-1.0 -7,-0.4 3,-0.2 0.946 111.2 37.9 -65.3 -56.6 17.0 21.2 4.4 125 165 A Y H X S+ 0 0 32 -4,-1.5 4,-2.1 -8,-0.3 3,-0.4 0.876 112.9 60.8 -70.2 -27.9 13.3 22.0 4.0 126 166 A R H X S+ 0 0 44 -4,-2.8 4,-2.4 -5,-0.3 5,-0.2 0.855 97.2 57.7 -63.3 -35.9 13.8 25.1 6.0 127 167 A S H X S+ 0 0 0 -4,-1.7 4,-1.6 -3,-0.2 -1,-0.2 0.872 109.2 46.6 -58.9 -36.0 16.3 26.5 3.5 128 168 A Q H X S+ 0 0 0 -4,-1.0 4,-2.0 -3,-0.4 -2,-0.2 0.904 111.7 50.5 -71.6 -44.4 13.6 26.2 0.9 129 169 A M H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.901 110.1 48.7 -59.3 -46.1 10.9 27.8 3.1 130 170 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.911 112.2 49.3 -64.7 -42.5 13.1 30.8 3.9 131 171 A T H < S+ 0 0 0 -4,-1.6 4,-0.4 -5,-0.2 -1,-0.2 0.871 113.6 45.9 -65.5 -36.1 14.0 31.3 0.2 132 172 A Q H >< S+ 0 0 27 -4,-2.0 3,-1.3 1,-0.2 4,-0.5 0.916 110.1 53.2 -74.6 -43.1 10.3 31.2 -0.8 133 173 A L H >X S+ 0 0 7 -4,-2.6 4,-1.4 1,-0.2 3,-0.7 0.818 96.6 69.9 -58.4 -35.1 9.2 33.5 2.0 134 174 A A H 3X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.775 85.3 70.1 -50.9 -31.8 11.8 36.0 0.8 135 175 A E H <>>S+ 0 0 31 -3,-1.3 5,-2.1 -4,-0.4 4,-0.7 0.923 103.5 38.2 -59.4 -46.3 9.7 36.7 -2.3 136 176 A S H <45S+ 0 0 99 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.856 116.5 53.4 -72.5 -34.3 6.9 38.5 -0.5 137 177 A Y H <5S+ 0 0 124 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.925 120.5 29.8 -67.3 -46.8 9.3 40.2 1.9 138 178 A Y H <5S- 0 0 37 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.367 106.1-122.0 -94.4 2.1 11.5 41.7 -0.8 139 179 A N T <5S+ 0 0 155 -4,-0.7 2,-0.4 -5,-0.2 -3,-0.2 0.930 71.2 127.1 57.6 49.3 8.8 42.0 -3.5 140 180 A D > < - 0 0 39 -5,-2.1 3,-1.1 -6,-0.2 -1,-0.2 -0.881 42.1-168.3-139.6 103.4 10.6 39.9 -6.0 141 181 A D T 3 S+ 0 0 131 -2,-0.4 4,-0.1 1,-0.2 -6,-0.1 0.224 79.9 62.0 -83.2 16.0 8.7 36.9 -7.4 142 182 A M T 3> S+ 0 0 71 -7,-0.1 4,-3.0 2,-0.1 5,-0.3 0.311 70.7 96.1-119.6 7.7 11.7 35.2 -9.0 143 183 A I H <> S+ 0 0 0 -3,-1.1 4,-2.3 2,-0.2 5,-0.3 0.961 91.0 39.0 -65.3 -51.6 13.9 34.5 -6.0 144 184 A Y H >>S+ 0 0 1 -13,-0.2 4,-2.4 2,-0.2 5,-2.0 0.903 118.7 50.3 -65.6 -39.8 12.8 30.9 -5.4 145 185 A D H 4>S+ 0 0 62 3,-0.2 5,-2.4 1,-0.2 6,-0.2 0.973 114.2 42.8 -62.2 -51.9 12.7 30.3 -9.2 146 186 A D H <5S+ 0 0 62 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.882 125.3 32.4 -64.7 -40.5 16.1 31.6 -9.9 147 187 A L H <5S+ 0 0 1 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.866 136.5 11.8 -86.1 -38.9 17.9 30.0 -6.9 148 188 A M T >X5S+ 0 0 0 -4,-2.4 3,-0.7 -5,-0.3 4,-0.6 0.847 123.8 46.1-111.7 -53.6 16.0 26.7 -6.4 149 189 A L G >4> -J 163 0C 44 4,-3.0 3,-3.2 -2,-0.5 4,-0.6 -0.695 30.4-104.8 -83.5 131.4 -2.7 25.8 -3.2 160 200 A E T 34 S+ 0 0 204 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.578 120.6 60.5 -18.2 -37.3 -6.2 27.2 -3.7 161 201 A N T 34 S- 0 0 117 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.342 123.6 -99.3 -84.5 5.8 -5.8 29.0 -0.4 162 202 A G T <4 S+ 0 0 57 -3,-3.2 2,-0.2 1,-0.3 -2,-0.2 0.252 77.9 139.3 98.3 -12.6 -2.8 31.1 -1.5 163 203 A T E < -J 159 0C 18 -4,-0.6 -4,-3.0 -5,-0.1 2,-0.5 -0.445 53.0-127.8 -71.7 134.2 -0.2 28.8 0.2 164 204 A A E -Jk 158 237C 7 72,-2.5 74,-2.7 -6,-0.2 2,-0.6 -0.723 22.8-160.3 -80.7 125.7 3.0 28.0 -1.7 165 205 A L E -Jk 157 238C 22 -8,-3.3 -8,-2.6 -2,-0.5 2,-0.4 -0.934 1.2-160.0-111.8 113.3 3.6 24.3 -1.9 166 206 A I E -Jk 156 239C 0 72,-3.0 74,-3.6 -2,-0.6 2,-0.6 -0.782 9.0-150.8 -89.4 129.5 7.2 23.1 -2.6 167 207 A H E -Jk 155 240C 37 -12,-3.3 -12,-1.8 -2,-0.4 74,-0.2 -0.919 6.1-162.5-106.1 121.3 7.4 19.6 -4.0 168 208 A V - 0 0 4 72,-3.2 -14,-0.1 -2,-0.6 3,-0.1 -0.877 11.0-152.4-100.8 121.5 10.6 17.6 -3.2 169 209 A P - 0 0 32 0, 0.0 73,-0.4 0, 0.0 5,-0.1 -0.104 47.8 -51.2 -78.1-175.9 11.2 14.5 -5.5 170 210 A A >> - 0 0 13 72,-0.1 3,-3.2 1,-0.1 4,-0.5 -0.307 60.0-115.2 -48.9 136.6 13.1 11.3 -4.5 171 211 A S H >> S+ 0 0 38 1,-0.3 3,-1.9 2,-0.2 4,-0.6 0.902 119.3 55.3 -44.0 -49.3 16.5 12.5 -3.1 172 212 A E H 34 S+ 0 0 161 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.574 108.2 51.7 -63.4 -9.4 18.2 10.8 -6.1 173 213 A E H <4 S+ 0 0 124 -3,-3.2 -1,-0.3 1,-0.1 -2,-0.2 0.394 81.8 84.9-107.8 -0.6 16.0 12.9 -8.4 174 214 A I H << - 0 0 2 -3,-1.9 -21,-1.7 -4,-0.5 -20,-0.3 0.864 66.5-179.8 -66.8 -34.7 16.7 16.4 -6.9 175 215 A S < - 0 0 85 -4,-0.6 -3,-0.1 -23,-0.2 3,-0.0 0.818 15.7-151.1 38.1 61.5 19.7 16.4 -9.2 176 216 A P - 0 0 35 0, 0.0 2,-0.9 0, 0.0 -24,-0.2 -0.284 22.4-108.2 -62.9 142.8 21.1 19.8 -8.3 177 217 A N >> - 0 0 69 -26,-2.5 4,-2.3 1,-0.2 3,-1.9 -0.628 34.5-154.5 -63.5 103.1 23.1 21.9 -10.8 178 218 A T T 34 S+ 0 0 93 -2,-0.9 -1,-0.2 1,-0.3 -27,-0.0 0.633 87.3 66.2 -72.3 -10.8 26.4 21.3 -8.9 179 219 A S T 34 S+ 0 0 88 1,-0.1 -1,-0.3 -67,-0.0 3,-0.1 0.785 118.4 25.7 -69.6 -24.8 27.9 24.6 -10.2 180 220 A K T <4 S+ 0 0 17 -3,-1.9 -67,-2.8 1,-0.2 2,-0.4 0.731 124.5 40.2-106.4 -29.9 25.3 26.4 -8.1 181 221 A I E < -h 113 0B 1 -4,-2.3 2,-0.5 -69,-0.2 -67,-0.2 -0.955 46.9-165.2-134.9 138.1 24.4 24.0 -5.3 182 222 A M E -h 114 0B 2 -69,-1.9 -67,-1.8 -2,-0.4 2,-0.5 -0.989 20.9-175.4-114.0 123.2 26.0 21.6 -3.0 183 223 A L E +h 115 0B 24 -2,-0.5 2,-0.3 -69,-0.2 -67,-0.2 -0.967 7.8 168.1-121.7 127.2 23.4 19.4 -1.3 184 224 A R E -h 116 0B 84 -69,-1.1 -67,-1.7 -2,-0.5 3,-0.0 -0.973 38.4-145.6-135.8 153.6 24.3 16.8 1.4 185 225 A S S S+ 0 0 70 -2,-0.3 2,-0.7 -69,-0.2 -1,-0.1 0.838 93.1 66.1 -80.6 -34.9 22.5 14.6 3.9 186 226 A M S >> S- 0 0 113 1,-0.2 3,-1.6 -70,-0.1 4,-0.7 -0.812 71.1-157.1 -96.5 113.2 25.3 15.1 6.4 187 227 A E H >> S+ 0 0 50 -2,-0.7 4,-2.4 1,-0.3 3,-0.6 0.800 90.5 66.5 -57.2 -33.2 25.6 18.7 7.6 188 228 A V H 3> S+ 0 0 96 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.817 96.3 56.8 -61.8 -27.7 29.3 18.2 8.6 189 229 A E H <> S+ 0 0 86 -3,-1.6 4,-1.5 2,-0.2 -1,-0.3 0.868 108.7 46.3 -69.6 -33.6 30.1 17.8 4.9 190 230 A L H S+ 0 0 1 -4,-1.5 6,-1.5 2,-0.2 5,-1.3 0.837 109.8 49.4 -68.2 -34.7 32.9 22.6 2.4 194 234 A L H ><5S+ 0 0 0 -4,-2.0 3,-1.0 4,-0.2 -2,-0.2 0.935 109.5 53.1 -67.6 -43.0 32.2 26.2 3.6 195 235 A E H 3<5S+ 0 0 117 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.842 112.9 42.5 -59.3 -37.3 35.4 26.2 5.6 196 236 A T T 3<5S- 0 0 95 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.491 115.5-114.4 -87.4 -5.5 37.6 25.1 2.6 197 237 A G T < 5S+ 0 0 28 -3,-1.0 -3,-0.2 -4,-0.5 -105,-0.1 0.516 78.3 130.6 80.2 7.4 35.8 27.6 0.3 198 238 A E S -F 83 0B 31 -2,-0.3 4,-2.1 -122,-0.2 3,-0.3 -0.433 38.6-119.2 -72.4 152.9 21.1 27.7 12.0 206 246 A R H > S+ 0 0 58 -124,-2.2 4,-2.9 1,-0.2 5,-0.2 0.851 112.9 59.8 -56.8 -38.6 22.8 30.6 13.8 207 247 A S H > S+ 0 0 7 81,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.917 106.5 46.0 -59.1 -44.3 23.8 28.2 16.6 208 248 A V H > S+ 0 0 15 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.934 112.0 51.4 -68.1 -42.7 25.8 26.0 14.1 209 249 A A H X>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 4,-0.6 0.935 111.1 47.9 -57.7 -47.2 27.4 29.1 12.4 210 250 A E H ><5S+ 0 0 60 -4,-2.9 3,-0.9 1,-0.2 -1,-0.2 0.899 108.3 54.6 -63.7 -37.7 28.5 30.5 15.8 211 251 A Q H 3<5S+ 0 0 102 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.861 114.1 41.7 -60.4 -39.4 29.9 27.1 16.9 212 252 A H H 3<5S- 0 0 87 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.474 112.2-118.0 -85.6 -4.1 32.0 27.0 13.7 213 253 A G T <<5 + 0 0 66 -3,-0.9 2,-0.2 -4,-0.6 -3,-0.2 0.782 59.5 156.8 67.3 26.1 33.1 30.6 13.8 214 254 A F < - 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