==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 21-JUL-11 3ZUY . COMPND 2 MOLECULE: TRANSPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR N.-J.HU,S.IWATA,A.D.CAMERON,D.DREW . 308 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14098.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 85.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 0 1 0 0 1 0 0 2 2 0 4 0 0 0 0 0 0 0 0 0 1 2 0 1 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A N > 0 0 156 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -49.8 29.8 93.0 64.7 2 3 A I H > + 0 0 129 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.884 360.0 54.1 -71.1 -40.8 32.0 92.5 67.9 3 4 A L H > S+ 0 0 141 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.810 109.2 48.5 -62.7 -35.4 28.9 91.9 70.1 4 5 A S H > S+ 0 0 92 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.874 112.0 47.9 -73.0 -40.6 27.6 89.1 67.8 5 6 A K H X S+ 0 0 140 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.833 107.5 56.9 -67.6 -35.8 31.0 87.3 67.7 6 7 A I H X S+ 0 0 83 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.910 108.6 46.6 -60.4 -44.8 31.2 87.6 71.5 7 8 A S H X S+ 0 0 24 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.867 110.9 53.3 -63.9 -41.4 27.9 85.7 71.7 8 9 A S H X S+ 0 0 56 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.926 111.7 43.9 -60.9 -49.4 29.2 83.1 69.2 9 10 A F H X S+ 0 0 124 -4,-2.5 4,-0.6 2,-0.2 -2,-0.2 0.955 113.2 50.8 -60.0 -54.9 32.4 82.4 71.2 10 11 A I H >< S+ 0 0 37 -4,-2.3 3,-0.7 1,-0.2 7,-0.2 0.850 112.7 47.5 -51.4 -42.7 30.5 82.2 74.6 11 12 A G H >< S+ 0 0 46 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.897 112.9 47.3 -66.1 -43.3 28.0 79.8 73.0 12 13 A K H 3< S+ 0 0 177 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.401 121.7 37.8 -78.6 -2.6 30.8 77.6 71.5 13 14 A T T XX S+ 0 0 26 -3,-0.7 4,-1.6 -4,-0.6 3,-0.8 0.028 77.7 130.0-133.8 19.6 32.6 77.6 74.9 14 15 A F H <> + 0 0 27 -3,-1.0 4,-3.2 1,-0.2 3,-0.3 0.870 68.4 54.7 -42.4 -60.5 29.5 77.4 77.2 15 16 A S H 3> S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.813 108.1 50.9 -45.7 -42.8 30.8 74.5 79.4 16 17 A L H <> S+ 0 0 115 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.916 113.4 43.6 -64.6 -46.3 34.0 76.5 80.2 17 18 A W H X S+ 0 0 92 -4,-1.6 4,-2.6 -3,-0.3 -2,-0.2 0.909 114.6 50.3 -65.9 -41.3 32.0 79.6 81.2 18 19 A A H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.918 112.0 48.3 -64.0 -39.6 29.5 77.5 83.2 19 20 A A H X S+ 0 0 42 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.837 111.1 51.1 -66.6 -35.5 32.5 75.7 84.9 20 21 A L H X S+ 0 0 107 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.932 112.5 44.7 -68.5 -46.7 34.1 79.2 85.7 21 22 A F H X S+ 0 0 71 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.911 113.0 51.2 -63.6 -41.9 30.9 80.6 87.2 22 23 A A H X S+ 0 0 15 -4,-2.6 4,-1.5 -5,-0.2 -2,-0.2 0.914 113.9 45.7 -59.7 -42.3 30.4 77.3 89.2 23 24 A A H X S+ 0 0 37 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.898 111.3 51.8 -66.9 -41.6 34.0 77.7 90.4 24 25 A A H X S+ 0 0 41 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.889 112.4 46.2 -60.3 -42.7 33.5 81.4 91.2 25 26 A A H < S+ 0 0 0 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.783 111.1 53.7 -69.0 -33.9 30.4 80.5 93.3 26 27 A F H < S+ 0 0 42 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.970 116.6 35.1 -67.9 -53.1 32.3 77.7 95.0 27 28 A F H < S+ 0 0 166 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.757 135.6 27.3 -71.6 -26.2 35.2 79.8 96.2 28 29 A A >< + 0 0 40 -4,-1.8 3,-1.6 -5,-0.3 4,-0.3 -0.677 67.0 175.5-137.9 79.4 32.9 82.9 96.8 29 30 A P G >> S+ 0 0 21 0, 0.0 4,-1.8 0, 0.0 3,-1.6 0.842 76.5 62.2 -54.8 -39.9 29.2 81.8 97.6 30 31 A D G 34 S+ 0 0 132 1,-0.3 4,-0.4 2,-0.2 -5,-0.1 0.579 87.7 75.4 -64.0 -11.2 27.9 85.3 98.3 31 32 A T G <4 S+ 0 0 74 -3,-1.6 -1,-0.3 -7,-0.2 177,-0.1 0.758 116.8 12.4 -71.1 -28.6 28.7 86.3 94.7 32 33 A F T X4 S+ 0 0 20 -3,-1.6 3,-2.4 -4,-0.3 4,-0.3 0.595 97.1 96.2-125.4 -18.2 25.6 84.4 93.4 33 34 A K G >< S+ 0 0 93 -4,-1.8 3,-1.6 1,-0.3 -3,-0.1 0.733 77.3 69.2 -47.2 -30.2 23.4 83.4 96.4 34 35 A W G 3 S+ 0 0 147 -4,-0.4 -1,-0.3 1,-0.3 4,-0.2 0.764 90.8 62.0 -58.7 -31.4 21.2 86.5 95.7 35 36 A A G X> S+ 0 0 0 -3,-2.4 3,-1.1 1,-0.2 4,-0.6 0.539 77.2 93.5 -75.2 -11.4 20.0 84.8 92.4 36 37 A G G X4 S+ 0 0 27 -3,-1.6 3,-1.6 -4,-0.3 -1,-0.2 0.922 86.1 45.0 -48.3 -56.1 18.4 81.9 94.4 37 38 A P G 34 S+ 0 0 102 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.649 111.2 57.5 -67.0 -10.7 14.9 83.4 94.7 38 39 A Y G <> S+ 0 0 135 -3,-1.1 4,-2.8 -4,-0.2 3,-0.5 0.527 75.1 100.7 -94.7 -7.1 15.2 84.3 90.9 39 40 A I H S+ 0 0 50 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.878 114.8 46.7 -60.6 -38.1 12.1 80.1 88.6 41 42 A W H > S+ 0 0 192 -3,-0.5 4,-1.4 -4,-0.2 -2,-0.2 0.881 112.5 50.6 -68.9 -38.9 12.2 83.5 86.7 42 43 A L H >X S+ 0 0 23 -4,-2.8 4,-1.6 2,-0.2 3,-0.7 0.961 114.8 41.6 -63.6 -51.9 15.6 82.6 85.2 43 44 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.884 110.6 59.7 -62.6 -37.3 14.4 79.2 84.0 44 45 A G H 3X S+ 0 0 13 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.814 104.6 49.5 -57.3 -34.6 11.1 80.8 82.9 45 46 A I H < S+ 0 0 0 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.854 108.8 58.4 -62.2 -37.4 8.9 78.5 72.6 52 53 A L H 3< S+ 0 0 7 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.833 109.1 44.3 -61.5 -36.6 9.9 81.7 70.8 53 54 A T T 3< S+ 0 0 60 -4,-1.5 2,-0.3 -3,-0.4 -1,-0.3 0.479 99.0 97.8 -85.2 -9.6 12.2 79.7 68.5 54 55 A L < + 0 0 6 -3,-0.8 126,-0.1 -4,-0.5 -3,-0.0 -0.642 49.7 179.0 -85.4 142.5 9.4 77.0 68.1 55 56 A K > - 0 0 83 -2,-0.3 3,-1.8 125,-0.1 4,-0.2 -0.937 42.6-110.2-135.1 153.7 7.1 77.0 65.1 56 57 A P G > S+ 0 0 75 0, 0.0 3,-1.4 0, 0.0 -2,-0.0 0.790 116.1 66.5 -60.0 -22.0 4.2 74.6 64.2 57 58 A S G > S+ 0 0 62 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.757 85.3 71.8 -68.4 -22.9 6.4 73.3 61.3 58 59 A D G < S+ 0 0 30 -3,-1.8 -1,-0.3 1,-0.3 3,-0.1 0.590 95.6 53.3 -65.9 -13.2 8.8 71.8 64.0 59 60 A F G X> S+ 0 0 24 -3,-1.4 4,-1.1 -4,-0.2 3,-0.6 0.292 76.8 102.8-103.6 5.6 6.1 69.2 64.7 60 61 A D H X> S+ 0 0 84 -3,-1.8 4,-1.9 1,-0.2 3,-1.3 0.932 79.7 52.8 -52.3 -50.7 5.8 68.1 61.1 61 62 A I H 3> S+ 0 0 20 -4,-0.3 4,-3.0 1,-0.3 8,-0.3 0.761 101.4 61.2 -57.8 -31.1 7.8 64.9 61.8 62 63 A L H <4 S+ 0 0 37 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.826 113.3 36.4 -66.8 -32.2 5.4 64.1 64.7 63 64 A F H << S+ 0 0 147 -3,-1.3 -2,-0.2 -4,-1.1 -1,-0.2 0.737 124.6 40.7 -91.8 -21.8 2.6 63.9 62.2 64 65 A K H < S+ 0 0 142 -4,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.820 134.1 17.5 -93.5 -37.3 4.6 62.4 59.3 65 66 A H S X S+ 0 0 109 -4,-3.0 4,-1.6 -5,-0.2 3,-0.4 -0.539 70.5 159.4-132.0 65.6 6.7 59.9 61.3 66 67 A P H > S+ 0 0 64 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.796 73.1 58.1 -60.6 -31.6 4.8 59.5 64.7 67 68 A K H > S+ 0 0 174 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.881 105.5 50.3 -66.2 -37.4 6.5 56.1 65.6 68 69 A V H > S+ 0 0 35 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.919 113.9 43.5 -66.1 -43.9 10.0 57.7 65.3 69 70 A V H X S+ 0 0 0 -4,-1.6 4,-2.2 -8,-0.3 -2,-0.2 0.935 113.6 52.4 -68.0 -42.4 9.1 60.6 67.6 70 71 A I H X S+ 0 0 77 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.851 106.6 52.6 -60.6 -39.3 7.3 58.3 70.1 71 72 A I H X S+ 0 0 44 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.907 110.4 48.9 -61.2 -45.4 10.3 55.9 70.3 72 73 A G H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.879 112.6 47.0 -60.6 -44.2 12.5 59.0 71.2 73 74 A V H X S+ 0 0 11 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.912 115.2 45.8 -64.6 -47.4 10.0 60.1 73.9 74 75 A I H X S+ 0 0 107 -4,-2.6 4,-1.8 2,-0.2 5,-0.3 0.924 111.3 52.5 -62.5 -46.7 9.8 56.5 75.3 75 76 A A H >X S+ 0 0 7 -4,-3.1 4,-2.9 1,-0.2 3,-0.6 0.946 110.4 49.3 -53.4 -52.0 13.6 56.2 75.2 76 77 A Q H 3X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.900 117.4 37.8 -51.8 -57.8 13.9 59.5 77.2 77 78 A F H 3< S+ 0 0 17 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.552 121.5 44.0 -79.4 -11.0 11.4 58.6 80.0 78 79 A A H S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.943 118.6 47.0 -67.0 -43.2 14.7 57.8 85.2 82 83 A A H X S+ 0 0 50 -4,-1.3 4,-2.7 1,-0.2 -2,-0.2 0.871 112.1 50.1 -64.6 -38.1 15.6 54.0 85.4 83 84 A T H X S+ 0 0 6 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.901 109.7 51.6 -65.8 -40.1 19.4 54.7 85.0 84 85 A A H X S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.923 113.9 43.8 -62.1 -43.6 19.1 57.3 87.9 85 86 A W H X S+ 0 0 104 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.920 113.6 50.1 -65.5 -48.0 17.4 54.7 90.1 86 87 A L H X S+ 0 0 89 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.894 113.1 46.0 -58.5 -44.9 19.9 51.9 89.1 87 88 A L H X S+ 0 0 12 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.825 112.5 51.2 -67.6 -33.6 22.9 54.1 89.9 88 89 A S H <>S+ 0 0 11 -4,-1.6 5,-1.5 -5,-0.2 -2,-0.2 0.855 116.5 41.5 -70.5 -36.2 21.3 55.2 93.2 89 90 A K H ><5S+ 0 0 139 -4,-2.3 3,-1.0 3,-0.2 -2,-0.2 0.964 117.9 43.9 -74.2 -55.8 20.7 51.6 94.1 90 91 A L H 3<5S+ 0 0 129 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.798 120.9 39.9 -61.2 -36.1 24.1 50.1 92.9 91 92 A L T 3<5S- 0 0 82 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.393 102.3-133.2 -95.5 2.9 26.2 53.0 94.4 92 93 A N T < 5 - 0 0 144 -3,-1.0 -3,-0.2 -4,-0.2 -4,-0.1 0.884 33.7-164.6 42.9 52.8 24.0 53.1 97.6 93 94 A L < - 0 0 15 -5,-1.5 -1,-0.1 -6,-0.2 5,-0.0 -0.355 26.8 -95.1 -63.0 144.9 23.8 56.9 97.4 94 95 A P >> - 0 0 72 0, 0.0 4,-2.7 0, 0.0 3,-0.7 -0.258 42.9-107.7 -56.6 145.6 22.6 59.0 100.5 95 96 A A H 3> S+ 0 0 78 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.845 118.4 51.6 -44.2 -47.8 18.8 59.6 100.2 96 97 A E H 3> S+ 0 0 92 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.850 113.8 43.9 -61.5 -40.0 19.3 63.4 99.4 97 98 A I H <> S+ 0 0 5 -3,-0.7 4,-1.8 2,-0.2 -2,-0.2 0.946 113.1 51.7 -69.8 -48.0 21.8 62.6 96.6 98 99 A A H X S+ 0 0 14 -4,-2.7 4,-3.0 1,-0.2 3,-0.3 0.906 109.9 49.8 -53.2 -46.6 19.6 59.8 95.2 99 100 A V H X S+ 0 0 21 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.880 111.0 49.3 -61.4 -39.4 16.6 62.2 95.2 100 101 A G H X S+ 0 0 1 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.774 114.2 45.6 -68.9 -32.1 18.7 64.8 93.2 101 102 A V H X S+ 0 0 3 -4,-1.8 4,-2.3 -3,-0.3 -2,-0.2 0.896 112.6 49.1 -78.9 -45.8 19.8 62.2 90.7 102 103 A I H X S+ 0 0 7 -4,-3.0 4,-2.0 2,-0.2 5,-0.2 0.945 109.4 54.7 -59.4 -44.9 16.3 60.7 90.3 103 104 A L H X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.896 108.7 47.3 -54.8 -47.5 15.0 64.3 89.7 104 105 A V H >< S+ 0 0 2 -4,-1.3 3,-1.1 1,-0.2 -1,-0.2 0.921 112.5 49.8 -58.4 -49.1 17.6 64.9 86.9 105 106 A G H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.759 108.5 53.1 -63.5 -27.8 16.7 61.5 85.3 106 107 A C H 3< S+ 0 0 0 -4,-2.0 -1,-0.3 -26,-0.2 -2,-0.2 0.608 90.0 100.0 -84.2 -10.1 12.9 62.3 85.4 107 108 A C S << S- 0 0 0 -3,-1.1 3,-0.1 -4,-0.6 158,-0.1 -0.360 79.9-108.5 -72.2 157.2 13.4 65.6 83.7 108 109 A P - 0 0 0 0, 0.0 156,-2.7 0, 0.0 159,-0.1 -0.182 51.7 -72.7 -69.5 178.1 12.7 66.0 79.9 109 110 A G B -A 263 0A 1 154,-0.3 154,-0.3 21,-0.2 2,-0.3 -0.114 49.8-108.3 -68.8 164.3 15.5 66.4 77.4 110 111 A G > - 0 0 5 152,-0.6 3,-1.5 149,-0.3 4,-0.2 -0.738 14.6-127.3 -96.1 150.2 17.6 69.6 77.0 111 112 A T T >> S+ 0 0 53 -2,-0.3 3,-1.9 1,-0.3 4,-0.7 0.766 104.3 73.8 -65.3 -26.0 17.4 72.0 74.1 112 113 A A H 3> S+ 0 0 28 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.680 80.8 72.7 -63.0 -16.2 21.1 71.8 73.6 113 114 A S H <> S+ 0 0 0 -3,-1.5 4,-2.6 2,-0.2 -1,-0.3 0.822 90.9 59.2 -66.1 -28.3 20.5 68.3 72.2 114 115 A N H <> S+ 0 0 31 -3,-1.9 4,-1.2 -4,-0.2 -1,-0.2 0.923 110.1 40.2 -63.3 -46.3 19.1 70.1 69.1 115 116 A V H X S+ 0 0 90 -4,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.877 115.1 51.9 -70.1 -44.2 22.5 71.9 68.5 116 117 A M H X S+ 0 0 19 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.905 109.0 50.7 -60.6 -41.6 24.5 68.8 69.3 117 118 A T H <>S+ 0 0 0 -4,-2.6 5,-3.3 2,-0.2 -1,-0.2 0.837 108.2 53.2 -61.7 -39.2 22.5 66.7 66.8 118 119 A Y H ><5S+ 0 0 136 -4,-1.2 3,-0.7 3,-0.2 -1,-0.2 0.881 113.3 42.9 -63.9 -39.5 23.1 69.4 64.2 119 120 A L H 3<5S+ 0 0 73 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.881 110.5 55.7 -74.4 -35.8 26.9 69.1 64.9 120 121 A A T 3<5S- 0 0 0 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.428 114.1-119.0 -74.3 -0.1 26.7 65.2 65.0 121 122 A R T < 5 + 0 0 127 -3,-0.7 -3,-0.2 -4,-0.2 -2,-0.1 0.862 67.9 143.0 59.6 37.6 25.1 65.4 61.4 122 123 A G < - 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4,-2.2 -5,-0.2 -1,-0.2 0.966 115.6 33.9 -60.9 -51.0 8.2 64.2 85.4 143 144 A P H > S+ 0 0 10 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.831 118.3 53.7 -75.4 -27.5 6.4 64.1 88.8 144 145 A A H X S+ 0 0 46 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.967 114.9 38.8 -71.0 -45.7 4.6 60.8 88.1 145 146 A I H X S+ 0 0 21 -4,-2.5 4,-2.2 2,-0.2 5,-0.3 0.897 114.7 55.5 -67.5 -39.5 7.9 59.0 87.3 146 147 A F H X>S+ 0 0 0 -4,-2.2 4,-3.1 -5,-0.3 5,-0.5 0.925 108.5 49.1 -55.1 -46.9 9.7 60.9 90.2 147 148 A L H X5S+ 0 0 28 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.855 111.0 48.7 -61.4 -42.0 7.0 59.6 92.6 148 149 A M H <5S+ 0 0 122 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.824 121.9 33.8 -69.7 -34.7 7.4 56.0 91.4 149 150 A L H <5S+ 0 0 44 -4,-2.2 -2,-0.2 2,-0.1 -3,-0.2 0.898 123.9 38.4 -90.7 -44.1 11.2 56.0 91.7 150 151 A A H <5S- 0 0 26 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.1 0.756 122.1 -96.8 -77.9 -24.9 12.0 58.3 94.7 151 152 A G ><< - 0 0 22 -4,-1.1 3,-1.6 -5,-0.5 -1,-0.2 -0.138 21.0 -92.1 120.2 148.1 8.9 56.9 96.6 152 153 A E G > S+ 0 0 124 1,-0.3 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5,-0.2 0.929 113.9 52.2 -54.5 -49.6 3.2 78.4 75.0 175 176 A L H X S+ 0 0 80 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.905 112.4 45.1 -50.9 -51.7 3.6 82.2 75.4 176 177 A G H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.904 112.0 52.2 -59.0 -47.0 6.8 82.1 73.3 177 178 A L H X S+ 0 0 37 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.861 111.3 46.5 -59.8 -40.0 5.1 79.9 70.7 178 179 A I H X S+ 0 0 91 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.851 109.1 54.7 -72.7 -33.4 2.1 82.3 70.4 179 180 A V H X S+ 0 0 36 -4,-2.0 4,-2.9 -5,-0.2 5,-0.3 0.882 106.8 51.9 -65.5 -37.0 4.5 85.3 70.1 180 181 A H H X S+ 0 0 38 -4,-2.0 4,-2.4 2,-0.2 7,-0.2 0.906 111.8 46.3 -64.1 -42.3 6.2 83.6 67.2 181 182 A K H < S+ 0 0 143 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.883 115.0 48.0 -65.8 -40.2 2.8 83.1 65.5 182 183 A V H < S+ 0 0 112 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.926 125.3 26.5 -66.1 -51.3 1.8 86.8 66.3 183 184 A L H >< S- 0 0 77 -4,-2.9 3,-1.5 1,-0.2 2,-0.4 0.698 87.6-173.5 -89.2 -23.1 5.1 88.4 65.0 184 185 A G G >< S+ 0 0 29 -4,-2.4 3,-1.0 -5,-0.3 -1,-0.2 -0.507 71.9 1.2 70.2-120.6 6.1 85.7 62.4 185 186 A S G > S+ 0 0 109 -2,-0.4 3,-1.4 1,-0.2 -1,-0.3 0.646 121.5 76.8 -74.5 -16.7 9.5 86.3 60.8 186 187 A K G X S+ 0 0 159 -3,-1.5 3,-1.0 1,-0.3 4,-0.5 0.692 76.4 75.3 -67.7 -20.4 9.9 89.4 63.0 187 188 A T G <> S+ 0 0 3 -3,-1.0 4,-2.2 1,-0.2 -1,-0.3 0.591 73.9 83.3 -68.1 -10.4 10.7 87.2 66.1 188 189 A E H <> S+ 0 0 124 -3,-1.4 4,-0.8 1,-0.2 -1,-0.2 0.876 86.5 53.7 -59.9 -40.1 14.2 86.6 64.5 189 190 A K H <> S+ 0 0 167 -3,-1.0 4,-0.6 1,-0.2 3,-0.4 0.855 111.1 46.1 -62.1 -38.2 15.5 89.9 66.1 190 191 A L H >> S+ 0 0 78 -4,-0.5 4,-1.0 1,-0.2 3,-0.7 0.858 109.4 55.4 -71.0 -38.5 14.2 88.7 69.6 191 192 A T H 3< S+ 0 0 30 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.591 97.7 63.1 -72.2 -13.7 15.9 85.2 69.0 192 193 A D H 3< S+ 0 0 90 -4,-0.8 4,-0.4 -3,-0.4 -1,-0.2 0.794 104.9 47.5 -77.2 -31.4 19.3 86.9 68.3 193 194 A A H S+ 0 0 55 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.929 113.7 37.2 -53.4 -45.2 21.6 82.8 73.3 196 197 A L H > S+ 0 0 63 -3,-0.4 4,-2.3 -4,-0.4 -2,-0.2 0.878 119.1 48.8 -71.9 -38.9 23.4 85.4 75.6 197 198 A V H X S+ 0 0 71 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.943 113.7 47.1 -63.5 -49.5 20.3 85.9 77.8 198 199 A S H X S+ 0 0 24 -4,-3.6 4,-2.5 2,-0.2 -2,-0.2 0.854 112.0 49.8 -60.6 -42.6 19.8 82.1 78.2 199 200 A V H X S+ 0 0 26 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.930 112.4 48.1 -63.6 -44.7 23.5 81.6 79.0 200 201 A A H X S+ 0 0 47 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.904 112.7 48.6 -61.0 -44.2 23.3 84.4 81.6 201 202 A A H X S+ 0 0 3 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.933 113.7 45.5 -62.7 -48.7 20.1 82.9 83.2 202 203 A I H X S+ 0 0 22 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.838 110.5 51.9 -65.6 -37.2 21.6 79.3 83.4 203 204 A V H X S+ 0 0 9 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.840 109.3 52.5 -69.0 -29.5 25.0 80.4 84.8 204 205 A L H X S+ 0 0 37 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.879 109.4 48.1 -71.3 -35.9 23.1 82.3 87.5 205 206 A I H X S+ 0 0 1 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.984 115.9 44.1 -65.7 -54.1 21.0 79.1 88.3 206 207 A I H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.900 116.1 47.7 -51.9 -52.1 24.3 77.1 88.5 207 208 A G H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 -175,-0.2 0.918 112.6 48.0 -56.0 -51.0 26.0 79.9 90.5 208 209 A A H X S+ 0 0 4 -4,-2.8 4,-2.1 -176,-0.2 -2,-0.2 0.886 114.6 46.5 -59.4 -43.7 23.1 80.2 93.0 209 210 A V H X S+ 0 0 7 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.908 113.3 46.8 -67.7 -45.4 22.9 76.4 93.5 210 211 A V H >< S+ 0 0 5 -4,-2.7 3,-0.6 -5,-0.2 7,-0.2 0.944 113.1 50.4 -63.2 -46.3 26.7 75.9 94.0 211 212 A G H >< S+ 0 0 3 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.919 110.1 48.7 -55.4 -51.6 26.8 78.8 96.4 212 213 A A H 3< S+ 0 0 58 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.710 119.5 39.2 -63.2 -25.5 23.9 77.6 98.6 213 214 A S T S+ 0 0 63 -3,-1.3 4,-2.1 1,-0.2 7,-0.1 0.864 77.3 49.0 -46.1 -50.5 29.2 74.8 99.2 215 216 A G H > S+ 0 0 47 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.868 113.1 45.7 -60.5 -43.3 29.5 72.6 102.4 216 217 A K H > S+ 0 0 78 -3,-0.4 4,-2.7 2,-0.2 5,-0.3 0.859 112.1 50.8 -70.0 -37.5 27.7 69.6 100.8 217 218 A I H X S+ 0 0 26 -4,-2.5 4,-2.2 3,-0.2 5,-0.3 0.866 105.6 59.7 -66.3 -35.2 29.8 69.9 97.6 218 219 A M H < S+ 0 0 128 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.804 118.2 28.2 -63.2 -29.8 32.9 69.9 99.9 219 220 A E H < S+ 0 0 141 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.761 141.3 15.7-101.7 -30.0 31.9 66.5 101.3 220 221 A S H X S+ 0 0 23 -4,-2.7 4,-2.4 -5,-0.1 3,-0.2 0.355 89.1 106.7-125.5 -2.7 30.1 64.8 98.4 221 222 A G H X S+ 0 0 10 -4,-2.2 4,-2.3 -5,-0.3 -3,-0.1 0.830 83.1 48.0 -50.1 -44.7 30.9 66.9 95.3 222 223 A L H > S+ 0 0 140 -5,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.883 111.8 49.9 -67.4 -39.1 33.2 64.3 93.7 223 224 A L H > S+ 0 0 73 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.912 111.7 48.5 -63.9 -45.1 30.7 61.5 94.3 224 225 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.930 111.4 50.4 -61.8 -44.4 27.9 63.6 92.7 225 226 A F H X S+ 0 0 80 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.891 109.3 50.9 -60.7 -41.3 30.2 64.4 89.7 226 227 A A H X S+ 0 0 48 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.874 112.3 46.7 -64.7 -37.4 31.0 60.7 89.2 227 228 A V H X S+ 0 0 1 -4,-2.0 4,-3.2 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2,-0.2 -2,-0.2 0.936 116.9 37.5 -61.8 -52.0 24.8 53.9 75.6 238 239 A L H X S+ 0 0 82 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.811 114.3 58.3 -71.5 -29.1 21.2 52.7 76.2 239 240 A G H X S+ 0 0 0 -4,-1.4 4,-1.5 -5,-0.4 -2,-0.2 0.897 106.9 47.2 -63.7 -43.6 20.0 55.6 73.9 240 241 A F H X S+ 0 0 48 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.919 114.9 45.3 -63.7 -49.0 22.2 54.3 71.0 241 242 A F H X S+ 0 0 77 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.801 109.7 54.9 -69.1 -28.9 21.0 50.6 71.5 242 243 A A H X S+ 0 0 28 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.867 113.0 42.9 -70.0 -36.0 17.3 51.6 71.8 243 244 A A H <>S+ 0 0 0 -4,-1.5 5,-2.1 10,-0.2 -2,-0.2 0.912 118.3 45.1 -75.6 -40.4 17.5 53.5 68.5 244 245 A K H ><5S+ 0 0 103 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.911 112.5 49.6 -66.8 -49.7 19.5 50.6 66.8 245 246 A W H 3<5S+ 0 0 196 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.704 105.2 57.6 -67.5 -22.5 17.3 47.7 68.2 246 247 A T T 3<5S- 0 0 71 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.378 119.9-112.1 -85.2 0.6 14.1 49.5 67.1 247 248 A G T < 5 + 0 0 65 -3,-1.5 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4,-2.7 2,-0.2 -2,-0.2 0.924 108.3 51.2 -67.7 -40.2 14.6 72.3 85.4 268 269 A A H X S+ 0 0 2 -4,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.866 110.5 47.9 -64.3 -37.7 16.0 69.7 88.0 269 270 A A H X S+ 0 0 1 -4,-1.9 4,-1.9 17,-0.2 -2,-0.2 0.939 113.3 48.9 -68.6 -43.7 18.0 72.5 89.7 270 271 A A H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.866 112.2 47.2 -60.7 -42.4 14.8 74.7 89.8 271 272 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.843 112.3 49.5 -70.8 -34.9 12.6 71.9 91.1 272 273 A A H X S+ 0 0 1 -4,-1.8 4,-1.8 2,-0.2 7,-0.2 0.840 112.8 47.7 -70.5 -37.9 15.1 70.9 93.9 273 274 A A H < S+ 0 0 33 -4,-1.9 -2,-0.2 2,-0.2 4,-0.2 0.882 118.7 40.5 -71.5 -38.4 15.4 74.6 94.9 274 275 A A H < S+ 0 0 52 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.848 130.4 24.5 -77.5 -37.5 11.6 75.1 95.0 275 276 A H H < S+ 0 0 46 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.2 0.575 131.7 32.8-110.3 -12.0 10.6 71.8 96.6 276 277 A F S >< S+ 0 0 28 -4,-1.8 3,-2.0 -5,-0.2 6,-0.3 -0.233 72.0 142.8-133.2 41.1 13.6 70.6 98.6 277 278 A A T 3 + 0 0 69 1,-0.3 -1,-0.1 -4,-0.2 -2,-0.1 0.796 68.4 58.3 -53.6 -35.4 14.9 74.0 99.6 278 279 A A T 3 S+ 0 0 107 1,-0.2 -1,-0.3 -3,-0.1 -5,-0.1 0.619 104.9 55.7 -73.6 -10.9 16.0 72.9 103.1 279 280 A A X + 0 0 16 -3,-2.0 3,-1.8 -7,-0.2 4,-0.4 -0.766 66.6 179.1-119.8 79.3 18.3 70.3 101.4 280 281 A P G > S+ 0 0 51 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.678 74.6 69.7 -57.5 -18.7 20.6 72.3 99.0 281 282 A V G > S+ 0 0 3 1,-0.2 3,-0.8 2,-0.2 -68,-0.1 0.725 83.3 71.0 -70.6 -23.3 22.4 69.1 97.9 282 283 A V G < S+ 0 0 4 -3,-1.8 4,-0.5 -6,-0.3 -1,-0.2 0.830 99.0 48.9 -61.5 -34.3 19.3 67.9 96.0 283 284 A A G <> S+ 0 0 5 -3,-0.6 4,-1.9 -4,-0.4 -1,-0.2 0.604 93.3 80.8 -79.6 -17.3 19.9 70.7 93.4 284 285 A V H <> S+ 0 0 0 -3,-0.8 4,-2.7 -4,-0.3 5,-0.3 0.944 86.7 52.2 -61.0 -49.9 23.6 69.8 93.0 285 286 A P H > S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.914 113.4 47.5 -53.3 -40.3 23.2 66.8 90.6 286 287 A G H > S+ 0 0 1 -4,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.856 112.3 47.9 -64.5 -42.2 21.1 69.1 88.3 287 288 A A H X S+ 0 0 0 -4,-1.9 4,-0.8 -3,-0.2 -1,-0.2 0.900 115.9 43.1 -67.1 -44.7 23.7 72.0 88.5 288 289 A L H X S+ 0 0 33 -4,-2.7 4,-2.9 2,-0.2 3,-0.3 0.823 109.6 57.4 -72.4 -31.1 26.7 69.7 87.7 289 290 A F H X S+ 0 0 1 -4,-2.1 4,-2.9 -5,-0.3 5,-0.4 0.934 100.6 58.5 -63.5 -43.6 24.7 67.9 85.0 290 291 A S H < S+ 0 0 6 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.770 113.8 38.2 -54.1 -33.8 24.2 71.3 83.2 291 292 A V H >X S+ 0 0 17 -4,-0.8 4,-1.0 -3,-0.3 3,-0.5 0.942 120.0 46.4 -82.8 -53.8 28.0 71.7 83.0 292 293 A W H 3X S+ 0 0 51 -4,-2.9 4,-2.3 1,-0.2 3,-0.5 0.844 104.5 54.7 -56.5 -52.6 28.8 68.1 82.2 293 294 A H H 3X S+ 0 0 10 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.750 105.4 54.8 -61.1 -27.5 26.4 67.0 79.5 294 295 A N H <> S+ 0 0 20 -3,-0.5 4,-2.0 -5,-0.4 -1,-0.2 0.873 111.2 46.3 -71.1 -33.8 27.4 69.9 77.3 295 296 A I H X S+ 0 0 51 -4,-1.0 4,-1.7 -3,-0.5 -2,-0.2 0.931 119.9 38.2 -71.1 -48.3 31.1 68.6 77.6 296 297 A S H X S+ 0 0 14 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.826 116.4 52.9 -71.6 -34.7 30.1 65.0 76.9 297 298 A G H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.913 110.7 46.8 -65.9 -45.9 27.6 66.0 74.3 298 299 A S H X S+ 0 0 45 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.873 111.9 50.4 -65.3 -39.9 30.1 68.1 72.4 299 300 A L H X S+ 0 0 113 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.874 114.9 43.2 -65.1 -40.9 32.8 65.3 72.5 300 301 A L H X S+ 0 0 41 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.887 115.0 49.8 -70.3 -41.3 30.3 62.7 71.2 301 302 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.862 110.6 51.2 -63.6 -38.7 29.0 65.2 68.5 302 303 A T H X S+ 0 0 90 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.911 106.5 53.3 -65.9 -44.8 32.6 66.0 67.5 303 304 A Y H X S+ 0 0 146 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.901 114.9 41.9 -56.6 -43.8 33.5 62.2 67.0 304 305 A W H X S+ 0 0 16 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.847 111.9 52.5 -73.1 -37.9 30.4 61.9 64.7 305 306 A A H < S+ 0 0 40 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.820 112.2 48.1 -64.9 -32.8 31.0 65.2 62.8 306 307 A A H < S+ 0 0 86 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.830 114.2 46.7 -74.4 -33.8 34.6 63.9 62.2 307 308 A K H < 0 0 127 -4,-1.3 -2,-0.2 -5,-0.2 -3,-0.2 0.898 360.0 360.0 -73.3 -46.4 33.2 60.5 61.1 308 309 A A < 0 0 88 -4,-2.9 -3,-0.1 -188,-0.1 -187,-0.1 0.665 360.0 360.0 -80.7 360.0 30.5 61.9 58.7