==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 02-NOV-12 4HUM . COMPND 2 MOLECULE: MULTIDRUG EFFLUX PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA GONORRHOEAE; . AUTHOR M.LU . 550 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28972.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 293 53.3 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 . 19 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 45 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 7 1 0 3 1 0 1 3 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 . 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 5 A L 0 0 227 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 44.1 7.7 -64.5 -5.0 2 6 A D + 0 0 156 3,-0.0 2,-0.2 0, 0.0 3,-0.1 0.302 360.0 4.2-144.0 -50.2 8.2 -60.8 -5.4 3 7 A R + 0 0 158 1,-0.1 5,-0.0 5,-0.0 0, 0.0 -0.680 54.4 162.9-141.9 86.5 5.7 -59.2 -3.0 4 8 A F + 0 0 160 -2,-0.2 2,-1.0 1,-0.0 -1,-0.1 0.578 69.0 90.9 -74.0 -10.7 3.8 -61.7 -0.8 5 9 A S S S- 0 0 29 1,-0.2 3,-0.5 -3,-0.1 438,-0.1 -0.822 83.9-150.0 -77.7 101.6 3.2 -58.5 1.1 6 10 A F - 0 0 141 -2,-1.0 2,-0.7 1,-0.2 -1,-0.2 0.919 61.2 -8.3 -50.1 -96.6 -0.0 -57.8 -0.8 7 11 A S S S+ 0 0 47 435,-0.3 -1,-0.2 1,-0.2 -4,-0.0 -0.724 72.8 160.6-111.0 77.9 -1.0 -54.1 -1.4 8 12 A V + 0 0 47 -2,-0.7 -1,-0.2 -3,-0.5 -2,-0.1 0.925 64.4 57.2 -67.5 -50.2 1.5 -52.3 0.8 9 13 A F S S+ 0 0 169 2,-0.0 2,-0.3 1,-0.0 -1,-0.2 0.890 89.1 85.3 -49.9 -51.9 1.4 -48.7 -0.7 10 14 A L + 0 0 78 1,-0.1 -3,-0.1 311,-0.0 311,-0.1 -0.392 33.2 115.1 -66.9 116.0 -2.4 -48.2 -0.1 11 15 A K + 0 0 18 -2,-0.3 311,-0.4 307,-0.1 2,-0.3 -0.194 67.7 103.7-158.8 41.8 -3.4 -47.0 3.3 12 16 A E + 0 0 87 309,-0.1 307,-0.1 2,-0.1 2,-0.0 -0.986 15.0 119.4-152.6 132.3 -4.7 -43.8 1.7 13 17 A I S S- 0 0 158 -2,-0.3 2,-0.1 -3,-0.0 3,-0.1 0.052 98.5 -32.0-137.0 -95.9 -7.6 -41.5 0.4 14 18 A R S S+ 0 0 163 1,-0.1 3,-0.4 -2,-0.0 -2,-0.1 -0.592 84.8 139.8-128.9 73.2 -7.8 -38.1 2.2 15 19 A L > + 0 0 33 1,-0.2 3,-3.1 2,-0.1 -1,-0.1 0.475 31.1 109.4 -95.2 -10.0 -6.4 -39.1 5.7 16 20 A L T 3 S+ 0 0 150 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.687 73.6 70.0 -37.7 -21.2 -4.3 -36.0 6.3 17 21 A T T 3 + 0 0 98 -3,-0.4 2,-0.7 2,-0.1 -1,-0.3 0.270 65.7 129.3 -88.4 9.9 -7.1 -35.4 8.8 18 22 A A < - 0 0 43 -3,-3.1 2,-0.7 304,-0.1 -3,-0.0 -0.577 39.7-168.5 -71.4 109.4 -6.0 -38.2 11.1 19 23 A L + 0 0 112 -2,-0.7 2,-0.4 1,-0.1 -1,-0.1 -0.785 35.0 145.5-110.6 83.7 -5.7 -36.7 14.6 20 24 A A + 0 0 22 -2,-0.7 280,-0.1 1,-0.1 -1,-0.1 -0.703 37.9 128.0 -99.6 65.7 -4.0 -38.9 17.1 21 25 A L > + 0 0 107 -2,-0.4 3,-0.6 1,-0.1 4,-0.5 0.729 66.5 51.5 -95.4 -34.6 -2.8 -35.6 18.5 22 26 A P T 3> S+ 0 0 25 0, 0.0 4,-0.9 0, 0.0 3,-0.3 0.654 95.3 77.9 -67.9 -13.7 -3.9 -36.2 22.1 23 27 A M T 34 S+ 0 0 32 1,-0.2 277,-0.2 2,-0.2 276,-0.1 -0.055 88.7 56.5 -84.1 31.5 -2.0 -39.5 21.6 24 28 A L T X4 S+ 0 0 60 -3,-0.6 3,-0.9 275,-0.1 -1,-0.2 0.491 97.7 55.9-124.2 -41.0 1.2 -37.5 22.1 25 29 A L G >> S+ 0 0 46 -4,-0.5 4,-1.1 -3,-0.3 3,-0.8 0.727 97.2 68.2 -68.3 -22.5 0.4 -36.1 25.5 26 30 A A G 3< S+ 0 0 29 -4,-0.9 -1,-0.3 1,-0.2 -3,-0.1 0.860 111.8 31.4 -55.5 -39.2 -0.0 -39.8 26.3 27 31 A Q G <4 S+ 0 0 1 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 -0.056 110.9 63.2-117.6 31.1 3.8 -39.9 25.8 28 32 A V T <4 S+ 0 0 44 -3,-0.8 4,-0.4 2,-0.1 -3,-0.2 0.378 101.3 53.0-117.4 -16.3 4.7 -36.4 27.0 29 33 A A S < S+ 0 0 4 -4,-1.1 4,-0.3 -5,-0.2 -2,-0.1 0.537 106.1 58.8 -78.7 -14.1 3.4 -37.4 30.5 30 34 A Q S > S+ 0 0 34 2,-0.2 4,-2.4 1,-0.2 -1,-0.1 0.592 102.0 47.3 -93.5 -21.6 5.8 -40.2 29.9 31 35 A V H > S+ 0 0 48 2,-0.2 4,-1.9 3,-0.2 -2,-0.2 0.634 104.9 64.6 -83.6 -23.1 8.7 -37.8 29.5 32 36 A G H 4 S+ 0 0 2 -4,-0.4 -2,-0.2 2,-0.2 141,-0.1 0.749 114.1 29.9 -64.5 -29.7 7.2 -36.4 32.7 33 37 A I H >> S+ 0 0 78 -4,-0.3 3,-2.6 2,-0.1 4,-0.7 0.833 113.4 63.2 -89.4 -50.7 8.1 -39.8 34.3 34 38 A G H 3< S+ 0 0 42 -4,-2.4 4,-0.3 1,-0.3 3,-0.3 0.826 102.6 55.6 -35.1 -42.4 11.1 -40.4 32.1 35 39 A F T 3X S+ 0 0 85 -4,-1.9 4,-0.6 1,-0.2 -1,-0.3 0.289 85.9 70.7 -93.8 7.0 12.6 -37.3 33.7 36 40 A V T X4 S+ 0 0 24 -3,-2.6 3,-2.4 2,-0.2 4,-0.5 0.938 86.4 72.7 -75.2 -50.3 12.5 -37.9 37.4 37 41 A D G >< S+ 0 0 66 -4,-0.7 3,-1.3 -3,-0.3 4,-0.2 0.723 100.3 42.7 -26.7 -55.8 15.3 -40.5 37.0 38 42 A T G >> S+ 0 0 53 -4,-0.3 4,-2.3 1,-0.3 3,-0.5 0.801 103.0 66.9 -69.2 -30.7 17.9 -37.8 36.3 39 43 A V G << S+ 0 0 38 -3,-2.4 -1,-0.3 -4,-0.6 -2,-0.2 0.390 115.8 30.1 -71.6 5.5 16.4 -35.7 39.2 40 44 A M G <4 S+ 0 0 18 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.246 116.4 54.6-144.6 10.5 17.8 -38.6 41.3 41 45 A A T <4 S+ 0 0 37 -3,-0.5 -3,-0.2 -5,-0.3 2,-0.2 0.732 128.9 25.0 -87.0 -57.2 20.8 -39.7 39.3 42 46 A G S < S+ 0 0 58 -4,-2.3 -4,-0.1 1,-0.2 309,-0.0 -0.320 125.5 54.2 -93.2 45.1 21.8 -36.1 39.6 43 47 A G S S+ 0 0 27 -2,-0.2 -1,-0.2 -6,-0.1 3,-0.2 0.314 112.8 41.8-139.0 -26.9 19.8 -35.6 42.8 44 48 A A S S+ 0 0 0 -6,-0.2 -2,-0.1 1,-0.1 154,-0.1 -0.386 81.6 95.0-121.5 43.4 21.4 -38.5 44.6 45 49 A G + 0 0 40 1,-0.1 -1,-0.1 6,-0.1 -3,-0.1 0.343 60.2 92.5 -96.0 -10.9 25.0 -37.9 43.5 46 50 A K S S+ 0 0 198 -3,-0.2 2,-0.5 1,-0.1 -2,-0.1 0.887 88.2 52.2 -43.3 -42.1 25.0 -36.1 46.8 47 51 A E S S- 0 0 76 3,-0.2 -1,-0.1 147,-0.1 -3,-0.0 -0.903 80.9-165.7 -91.2 122.7 26.2 -39.6 47.7 48 52 A D S S+ 0 0 146 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.1 0.876 88.5 52.6 -81.7 -39.8 29.1 -40.4 45.3 49 53 A L S S+ 0 0 132 1,-0.2 2,-0.8 3,-0.0 -1,-0.2 0.521 90.5 96.6 -72.7 -5.9 29.3 -44.2 45.9 50 54 A A + 0 0 9 -5,-0.1 2,-0.9 -6,-0.1 -1,-0.2 -0.567 27.4 142.4 -87.9 58.8 25.6 -43.9 45.0 51 55 A A + 0 0 58 -2,-0.8 -6,-0.1 1,-0.1 -10,-0.1 -0.924 31.6 162.5 -68.0 114.2 25.8 -44.8 41.5 52 56 A V >> + 0 0 10 -2,-0.9 3,-1.5 2,-0.1 4,-0.8 0.512 44.5 90.5-129.5 -22.9 22.7 -46.3 42.9 53 57 A A T 34 + 0 0 44 1,-0.3 4,-0.2 2,-0.2 5,-0.1 0.637 61.5 97.5 -51.1 -21.0 21.0 -47.0 39.5 54 58 A L T 34 S+ 0 0 107 1,-0.2 -1,-0.3 2,-0.2 80,-0.1 0.511 100.7 21.9 -46.9 -12.5 22.9 -50.3 40.0 55 59 A G T X> S+ 0 0 3 -3,-1.5 3,-5.1 3,-0.0 2,-3.0 0.560 114.4 65.0-114.2 -61.4 19.5 -51.4 41.2 56 60 A S T 3< S+ 0 0 30 -4,-0.8 -2,-0.2 1,-0.3 -3,-0.1 0.068 106.5 48.6 -64.1 32.6 17.0 -49.0 39.7 57 61 A S T 34 S+ 0 0 70 -2,-3.0 -1,-0.3 -4,-0.2 -3,-0.1 0.126 115.4 40.7-148.8 13.4 17.9 -50.3 36.3 58 62 A A T <4 S+ 0 0 51 -3,-5.1 4,-0.3 -5,-0.1 -2,-0.2 0.164 116.0 51.9-135.0 3.3 17.6 -54.0 37.2 59 63 A F S >< S+ 0 0 19 -4,-1.8 2,-1.6 2,-0.1 3,-1.3 0.798 102.2 59.6 -78.5 -59.1 14.5 -53.3 39.2 60 64 A A T 3> S+ 0 0 34 1,-0.3 4,-0.6 -5,-0.3 -4,-0.1 0.231 93.8 70.8 -62.4 20.2 13.1 -51.5 36.2 61 65 A T H 3> S+ 0 0 35 -2,-1.6 4,-3.3 2,-0.2 -1,-0.3 0.848 98.7 42.1 -98.0 -59.1 13.4 -54.8 34.4 62 66 A V H <4 S+ 0 0 24 -3,-1.3 -2,-0.2 -4,-0.3 44,-0.1 0.203 119.5 53.7 -75.0 12.3 10.6 -56.6 36.2 63 67 A Y H >> S+ 0 0 27 -4,-0.4 4,-2.7 3,-0.1 3,-2.1 0.473 113.5 32.8 -96.9 -96.1 8.9 -53.3 35.7 64 68 A I H 3X S+ 0 0 74 -4,-0.6 4,-0.8 1,-0.3 -2,-0.2 0.669 121.4 54.8 -36.0 -30.8 9.1 -52.6 32.0 65 69 A T H 3X S+ 0 0 18 -4,-3.3 4,-0.9 2,-0.2 -1,-0.3 0.927 120.3 28.7 -68.1 -44.9 8.9 -56.5 31.6 66 70 A F H <> S+ 0 0 38 -3,-2.1 4,-1.9 -5,-0.3 5,-0.2 0.882 111.3 70.2 -74.6 -42.0 5.6 -56.8 33.6 67 71 A M H X S+ 0 0 16 -4,-2.7 4,-2.4 2,-0.2 -3,-0.2 0.815 95.6 58.6 -38.3 -35.6 4.7 -53.3 32.5 68 72 A G H >X S+ 0 0 0 -4,-0.8 4,-1.0 -5,-0.4 3,-0.8 0.991 100.7 48.5 -60.8 -77.7 4.3 -55.0 29.2 69 73 A I H >< S+ 0 0 18 -4,-0.9 3,-0.8 1,-0.3 -2,-0.2 0.774 115.9 47.3 -23.4 -55.3 1.6 -57.6 30.2 70 74 A M H >< S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.3 -1,-0.3 0.888 105.6 54.1 -64.3 -48.0 -0.3 -54.6 31.8 71 75 A A H X< S+ 0 0 6 -4,-2.4 3,-1.3 -3,-0.8 -1,-0.3 0.574 91.9 83.2 -63.4 -4.7 -0.0 -52.2 28.8 72 76 A A T << S+ 0 0 3 -4,-1.0 4,-0.5 -3,-0.8 -1,-0.3 0.588 78.1 64.0 -75.3 -11.7 -1.5 -55.3 27.0 73 77 A L T <> S+ 0 0 0 -3,-2.0 4,-1.8 1,-0.2 -1,-0.3 0.501 70.7 101.3 -84.7 -5.5 -4.9 -54.1 28.1 74 78 A N T <4 S+ 0 0 7 -3,-1.3 4,-0.2 2,-0.2 -1,-0.2 0.879 91.6 34.0 -45.6 -40.9 -4.4 -51.0 26.0 75 79 A P T >> S+ 0 0 15 0, 0.0 3,-3.7 0, 0.0 4,-3.7 0.987 108.3 63.6 -80.1 -66.5 -6.7 -52.6 23.3 76 80 A M H 3> S+ 0 0 21 -4,-0.5 4,-0.7 1,-0.3 -2,-0.2 0.766 111.5 39.1 -9.7 -68.9 -9.2 -54.6 25.5 77 81 A I H 3< S+ 0 0 1 -4,-1.8 -1,-0.3 1,-0.2 -3,-0.1 0.429 119.7 44.9 -85.9 -2.1 -10.5 -51.3 27.0 78 82 A A H X4 S+ 0 0 0 -3,-3.7 3,-1.9 -5,-0.3 -2,-0.2 0.745 110.5 54.7 -93.9 -39.9 -10.4 -49.3 23.8 79 83 A Q H 3< S+ 0 0 64 -4,-3.7 3,-0.3 1,-0.3 -2,-0.2 0.596 106.3 52.8 -69.8 -13.7 -12.0 -52.1 21.8 80 84 A L T 3< S+ 0 0 32 -4,-0.7 -1,-0.3 -5,-0.4 9,-0.2 0.063 90.2 74.0-111.0 20.6 -14.9 -52.2 24.2 81 85 A Y S < S+ 0 0 71 -3,-1.9 -1,-0.2 225,-0.1 -2,-0.2 -0.119 86.8 65.8-115.0 19.5 -15.5 -48.4 23.8 82 86 A G S S+ 0 0 24 -3,-0.3 -2,-0.2 223,-0.1 229,-0.2 0.489 109.8 41.1 -96.0 -25.8 -16.8 -49.7 20.6 83 87 A A S S- 0 0 61 227,-0.1 3,-0.1 2,-0.1 -2,-0.1 0.420 98.3-119.3 -84.7-130.3 -19.4 -51.3 22.9 84 88 A G S S+ 0 0 56 1,-0.2 2,-1.1 -4,-0.1 -3,-0.1 0.589 76.1 83.8-151.3 -33.2 -20.8 -49.2 26.0 85 89 A K >> - 0 0 84 1,-0.2 4,-3.5 2,-0.1 3,-2.0 -0.761 39.5-177.4 -92.2 93.5 -20.3 -50.5 29.6 86 90 A T T 34 S+ 0 0 6 -2,-1.1 -1,-0.2 1,-0.3 7,-0.1 0.258 88.2 68.2 -68.4 11.4 -16.9 -49.3 30.7 87 91 A G T 3> S+ 0 0 18 3,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.541 104.7 36.0-102.9 -22.4 -18.1 -51.3 33.7 88 92 A E H <> S+ 0 0 68 -3,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.782 125.4 40.4 -86.0 -48.7 -17.9 -54.5 31.7 89 93 A A H X S+ 0 0 1 -4,-3.5 4,-2.6 -9,-0.2 3,-0.4 0.908 120.3 48.8 -50.0 -42.7 -14.9 -52.9 30.1 90 94 A G H > S+ 0 0 0 -5,-0.3 4,-4.2 2,-0.2 5,-0.2 0.854 97.5 63.8 -67.1 -39.7 -14.4 -51.9 33.7 91 95 A E H X S+ 0 0 46 -4,-0.9 4,-1.7 2,-0.2 -1,-0.2 0.749 111.3 41.7 -64.5 -20.9 -15.0 -55.3 35.2 92 96 A T H X S+ 0 0 6 -4,-1.1 4,-3.2 -3,-0.4 5,-0.5 0.922 108.2 58.5 -70.8 -69.8 -11.9 -56.1 33.3 93 97 A G H X S+ 0 0 3 -4,-2.6 4,-3.1 1,-0.3 -2,-0.2 0.781 116.0 38.2 -23.4 -54.0 -10.3 -52.8 34.4 94 98 A R H X S+ 0 0 50 -4,-4.2 4,-2.0 2,-0.2 -1,-0.3 0.976 113.2 53.5 -62.3 -57.3 -10.8 -54.2 37.8 95 99 A Q H X S+ 0 0 2 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.894 118.2 39.8 -49.3 -43.7 -9.9 -57.8 36.9 96 100 A G H >X S+ 0 0 1 -4,-3.2 4,-2.5 2,-0.3 3,-1.1 0.957 106.8 59.5 -64.3 -55.0 -6.7 -56.4 35.6 97 101 A I H 3< S+ 0 0 17 -4,-3.1 -2,-0.2 -5,-0.5 -1,-0.2 0.740 106.7 52.9 -50.5 -17.6 -6.3 -53.9 38.4 98 102 A W H 3< S+ 0 0 75 -4,-2.0 -1,-0.3 3,-0.1 -2,-0.3 0.823 110.9 44.3 -81.2 -38.9 -6.3 -57.1 40.3 99 103 A F H XX>S+ 0 0 27 -3,-1.1 3,-4.1 -4,-1.0 2,-3.9 0.991 106.5 59.2 -59.6 -67.0 -3.6 -58.3 38.0 100 104 A G T 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 49,-0.2 -0.248 119.7 31.0 -62.6 62.7 -1.7 -55.0 38.2 101 105 A L T 345S+ 0 0 55 -2,-3.9 -1,-0.3 -3,-0.2 -2,-0.2 0.064 120.7 52.2 160.3 -25.7 -1.4 -55.6 41.9 102 106 A I T X45S+ 0 0 49 -3,-4.1 3,-0.8 -6,-0.3 -2,-0.2 0.765 119.8 32.9 -98.3 -46.6 -1.3 -59.3 41.7 103 107 A L T >X5S+ 0 0 11 -4,-3.7 4,-2.6 1,-0.2 3,-0.9 0.710 113.8 66.6 -79.5 -17.9 1.5 -59.5 39.2 104 108 A G H 3>>S+ 0 0 85 -3,-0.9 4,-4.9 2,-0.2 3,-3.1 0.729 109.2 51.5 -97.9 -42.3 5.4 -60.9 42.1 107 111 A G H 3X5S+ 0 0 0 -4,-2.6 4,-0.8 1,-0.3 -2,-0.2 0.972 116.5 44.8 -42.1 -49.6 7.2 -57.8 40.9 108 112 A M H 3<5S+ 0 0 26 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.197 122.6 34.1 -86.9 11.4 7.2 -57.3 44.6 109 113 A I H <>5S+ 0 0 83 -3,-3.1 4,-2.6 2,-0.1 -2,-0.2 0.484 114.1 53.3-127.0 -37.2 8.3 -61.0 45.4 110 114 A L H X5S+ 0 0 82 -4,-4.9 4,-2.0 1,-0.2 -3,-0.2 0.703 109.1 57.8 -66.2 -18.0 10.6 -61.7 42.5 111 115 A M H X4 S+ 0 0 113 1,-0.2 3,-1.0 2,-0.2 -2,-0.2 0.969 114.1 46.8 -48.6 -59.8 12.6 -60.0 47.3 113 117 A A H 3< S+ 0 0 76 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.934 101.8 71.9 -41.5 -55.1 14.2 -63.0 45.6 114 118 A A H 3< + 0 0 37 -4,-2.0 2,-2.6 1,-0.2 -1,-0.2 0.656 66.3 98.3 -31.2 -51.2 16.2 -60.6 43.5 115 119 A I << + 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5,-0.1 4,-0.1 1,-0.1 -2,-0.0 0.717 23.0 120.8 -3.2 126.7 -13.7 -67.6 39.7 233 237 A G S S+ 0 0 51 1,-0.4 -1,-0.1 0, 0.0 3,-0.0 0.303 82.1 1.5-157.5 -37.8 -15.8 -68.9 36.8 234 238 A K S S- 0 0 156 4,-0.0 -1,-0.4 0, 0.0 3,-0.3 -0.283 116.5 -50.8-128.7-148.3 -14.1 -71.9 35.3 235 239 A P S S+ 0 0 113 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.955 139.1 3.5 -54.3 -49.3 -10.8 -73.6 36.4 236 240 A D S S- 0 0 45 -4,-0.1 2,-0.3 -5,-0.1 4,-0.1 -0.940 89.4-119.8-138.8 119.6 -9.4 -70.0 36.2 237 241 A W - 0 0 59 -2,-0.3 4,-0.3 -3,-0.3 -5,-0.1 -0.381 31.7-155.7 -63.9 115.3 -11.7 -67.0 35.5 238 242 A A S S+ 0 0 31 -2,-0.3 -1,-0.1 2,-0.3 -4,-0.0 0.391 71.5 93.2 -70.6-147.7 -10.5 -65.3 32.3 239 243 A V S S+ 0 0 23 1,-0.2 -1,-0.2 -144,-0.0 -143,-0.1 0.695 121.4 37.0 52.1 24.9 -11.1 -61.6 31.4 240 244 A F S > S+ 0 0 18 -4,-0.1 4,-0.9 -145,-0.1 -2,-0.3 0.127 116.7 44.1-170.7 -62.2 -7.9 -62.2 33.2 241 245 A K H > S+ 0 0 105 -4,-0.3 4,-0.8 2,-0.2 -3,-0.2 0.785 115.6 54.0 -65.3 -28.9 -6.9 -65.6 31.8 242 246 A Q H 4 S+ 0 0 111 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.811 103.6 53.6 -73.1 -31.4 -7.9 -63.9 28.6 243 247 A I H >> S+ 0 0 0 1,-0.2 3,-1.3 2,-0.1 4,-1.1 0.739 94.7 77.2 -71.0 -23.7 -5.5 -61.1 29.5 244 248 A W H >X S+ 0 0 136 -4,-0.9 4,-2.4 1,-0.3 3,-1.4 0.947 92.4 44.9 -51.9 -60.2 -2.9 -63.8 29.8 245 249 A K H 3< S+ 0 0 126 -4,-0.8 -1,-0.3 1,-0.3 145,-0.2 0.283 113.9 48.8 -85.9 15.9 -2.2 -64.3 26.1 246 250 A I H <4 S+ 0 0 16 -3,-1.3 -1,-0.3 -4,-0.1 -2,-0.2 0.387 117.9 46.3-105.1 -12.1 -2.1 -60.6 25.4 247 251 A G H XX S+ 0 0 0 -3,-1.4 3,-3.3 -4,-1.1 4,-1.4 0.958 107.6 48.5 -87.6 -67.6 0.2 -60.5 28.3 248 252 A A H 3X S+ 0 0 21 -4,-2.4 4,-1.8 1,-0.3 5,-0.4 0.906 108.9 57.2 -34.4 -59.3 2.8 -63.3 27.9 249 253 A P H 34 S+ 0 0 7 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.465 111.1 43.0 -63.7 2.5 3.3 -62.3 24.3 250 254 A I H <4 S+ 0 0 9 -3,-3.3 4,-0.3 3,-0.1 5,-0.3 0.824 113.5 38.8-112.5 -58.2 4.4 -58.7 25.3 251 255 A G H >X S+ 0 0 0 -4,-1.4 4,-0.6 2,-0.3 3,-0.6 0.918 119.7 50.7 -56.9 -41.9 6.7 -58.7 28.3 252 256 A L T 3< S+ 0 0 97 -4,-1.8 -1,-0.3 -5,-0.4 -2,-0.1 0.747 116.4 42.3 -71.3 -21.4 8.3 -61.8 26.8 253 257 A S T 34 S+ 0 0 12 -5,-0.4 3,-0.3 1,-0.1 -2,-0.3 0.342 103.9 62.2 -98.2 -1.6 8.4 -59.6 23.7 254 258 A Y T <4 S+ 0 0 37 -3,-0.6 4,-0.3 -4,-0.3 -2,-0.2 0.453 83.5 84.5 -88.5 -5.7 9.5 -56.6 25.9 255 259 A F < + 0 0 108 -4,-0.6 -1,-0.2 -5,-0.3 -3,-0.1 -0.010 68.3 85.0 -81.8 24.9 12.4 -59.0 26.4 256 260 A L S >> S+ 0 0 56 -3,-0.3 3,-3.7 -5,-0.1 4,-1.3 0.842 98.7 30.1 -72.2 -85.9 13.6 -57.4 23.2 257 261 A E T 34 S+ 0 0 119 1,-0.3 -2,-0.2 2,-0.2 -3,-0.1 0.516 109.7 76.8 -54.1 -3.7 15.2 -54.5 24.9 258 262 A A T 34 S+ 0 0 14 -4,-0.3 -1,-0.3 1,-0.1 4,-0.3 0.565 106.1 30.7 -85.2 -11.6 15.7 -57.0 27.8 259 263 A S T <4 S+ 0 0 28 -3,-3.7 5,-0.2 2,-0.2 -2,-0.2 0.537 103.3 72.0-114.6 -18.7 18.6 -58.5 25.8 260 264 A A S < S+ 0 0 43 -4,-1.3 -3,-0.1 1,-0.2 -2,-0.1 -0.050 99.2 63.4 -71.6 33.8 19.6 -55.1 24.1 261 265 A F S > S+ 0 0 89 -5,-0.2 4,-1.0 3,-0.1 -1,-0.2 0.619 105.0 33.6-129.7 -60.6 20.6 -55.0 27.8 262 266 A S T 4 S+ 0 0 77 -4,-0.3 -2,-0.2 2,-0.2 -3,-0.1 -0.092 122.7 51.0 -98.6 28.6 23.2 -57.8 28.0 263 267 A F T >4 S+ 0 0 35 4,-0.0 3,-1.0 3,-0.0 4,-0.3 0.497 110.7 44.8-117.8 -51.8 24.3 -57.0 24.5 264 268 A I T 34 S+ 0 0 33 1,-0.3 3,-0.2 -5,-0.2 -2,-0.2 0.770 120.2 44.5 -65.2 -28.3 24.8 -53.3 24.9 265 269 A V T 3< S+ 0 0 36 -4,-1.0 -1,-0.3 1,-0.1 -4,-0.1 -0.463 104.5 60.4-117.4 53.9 26.6 -54.0 28.2 266 270 A F S < S+ 0 0 107 -3,-1.0 -2,-0.2 -2,-0.1 -1,-0.1 0.158 92.3 64.7-153.7 8.5 28.9 -56.9 27.1 267 271 A L S S+ 0 0 18 -4,-0.3 -2,-0.1 -3,-0.2 -3,-0.1 -0.192 94.1 58.3-121.5 35.9 30.8 -55.1 24.4 268 272 A I S S+ 0 0 40 9,-0.1 9,-0.1 11,-0.0 -1,-0.1 0.058 92.5 85.0-114.6 1.6 32.4 -52.7 26.9 269 273 A A S S+ 0 0 28 2,-0.1 2,-0.1 3,-0.1 -146,-0.1 0.571 81.0 54.1 -87.2 -18.9 33.5 -56.1 28.3 270 274 A P S S- 0 0 65 0, 0.0 2,-0.5 0, 0.0 -3,-0.0 -0.362 121.8 -60.7 -93.3-164.9 36.6 -56.7 26.2 271 275 A F S S+ 0 0 220 1,-0.2 3,-0.2 -2,-0.1 2,-0.1 0.194 108.9 101.5 -64.9 19.3 39.6 -54.2 25.9 272 276 A G > + 0 0 25 -2,-0.5 4,-0.5 1,-0.2 -1,-0.2 -0.226 45.0 138.5 -94.0 43.3 37.1 -51.6 24.4 273 277 A E H > + 0 0 156 -2,-0.1 4,-0.7 3,-0.1 3,-0.5 0.948 53.7 45.2 -50.3 -72.9 36.9 -49.8 27.8 274 278 A D H >4 S+ 0 0 114 1,-0.2 3,-1.0 -3,-0.2 -2,-0.1 0.900 123.9 12.0 -52.2 -84.6 37.0 -46.0 27.1 275 279 A Y H 34 S+ 0 0 78 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.250 120.0 65.5 -89.1 13.0 34.7 -44.8 24.2 276 280 A V H 3< S+ 0 0 11 -4,-0.5 -1,-0.2 -3,-0.5 4,-0.2 0.393 102.5 49.1-106.2 -6.2 32.8 -48.1 23.9 277 281 A A S << S+ 0 0 41 -3,-1.0 -2,-0.2 -4,-0.7 -3,-0.1 0.189 102.9 61.0-106.7 7.7 31.4 -47.5 27.3 278 282 A A S > S+ 0 0 6 2,-0.1 4,-0.6 1,-0.1 3,-0.5 0.140 82.3 85.7-105.2 7.6 30.6 -44.0 26.0 279 283 A Q H >> S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 3,-1.2 0.922 82.2 59.0 -59.4 -50.6 28.4 -46.0 23.6 280 284 A Q H 34 S+ 0 0 71 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.489 91.1 67.2 -64.2 -5.0 25.8 -45.9 26.3 281 285 A V H 3> S+ 0 0 21 -3,-0.5 4,-0.7 2,-0.1 -1,-0.2 0.853 112.2 34.8 -79.8 -35.7 25.8 -42.0 26.3 282 286 A G H S+ 0 0 26 -5,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.610 108.1 51.8 -95.3 -34.5 20.7 -43.7 26.5 285 289 A L H X S+ 0 0 89 -4,-0.7 4,-0.9 2,-0.2 -2,-0.3 0.543 103.0 64.4 -78.4 -6.1 20.1 -40.7 24.2 286 290 A S H < S+ 0 0 30 -4,-0.6 -1,-0.2 2,-0.1 -2,-0.2 0.968 110.8 31.9 -65.7 -70.5 18.4 -43.4 22.1 287 291 A G H >X S+ 0 0 32 -4,-0.6 3,-1.4 1,-0.2 4,-0.6 0.845 111.8 65.5 -54.2 -41.3 15.7 -44.2 24.7 288 292 A I H 3< S+ 0 0 80 -4,-2.6 4,-0.3 1,-0.3 2,-0.2 0.921 123.2 16.6 -58.9 -49.1 15.6 -40.6 26.0 289 293 A L T 3< S+ 0 0 93 -4,-0.9 -1,-0.3 -3,-0.1 -2,-0.1 -0.650 111.2 75.1-121.2 75.2 14.2 -39.3 22.7 290 294 A Y T <4 S+ 0 0 29 -3,-1.4 5,-0.3 -2,-0.2 4,-0.2 0.003 86.3 75.8-132.1 -0.3 13.1 -42.5 21.1 291 295 A M S X S+ 0 0 22 -4,-0.6 4,-1.8 -3,-0.2 -2,-0.1 0.934 90.2 43.9 -84.9 -54.7 10.2 -42.3 23.5 292 296 A I T 4 S+ 0 0 50 -4,-0.3 4,-0.2 2,-0.1 -1,-0.1 0.868 120.8 53.0 -60.7 -39.1 7.8 -39.6 22.1 293 297 A P T >4 S+ 0 0 22 0, 0.0 3,-1.7 0, 0.0 -2,-0.1 0.638 113.6 30.7 -43.9-138.6 8.6 -41.5 18.9 294 298 A Q G >> S+ 0 0 25 1,-0.3 3,-1.2 -4,-0.2 4,-0.8 0.362 115.8 60.3 20.5 -66.8 7.9 -45.2 19.5 295 299 A S G 3< S+ 0 0 6 -4,-1.8 -1,-0.3 1,-0.3 -3,-0.1 0.342 78.9 83.5 -80.1 4.3 5.1 -44.5 21.9 296 300 A V G <> S+ 0 0 31 -3,-1.7 4,-2.1 2,-0.2 3,-0.3 0.890 104.1 34.4 -68.1 -40.5 2.8 -42.5 19.6 297 301 A G H <> S+ 0 0 6 -3,-1.2 4,-1.8 2,-0.3 -2,-0.2 0.688 108.5 64.2 -83.9 -26.8 1.5 -45.9 18.2 298 302 A S H < S+ 0 0 17 -4,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.211 116.7 32.9 -72.9 9.8 1.8 -47.2 21.7 299 303 A A H >> S+ 0 0 6 -3,-0.3 3,-1.4 82,-0.2 4,-0.5 0.416 114.5 56.8-127.2 -35.3 -0.8 -44.5 22.0 300 304 A G H 3X S+ 0 0 5 -4,-2.1 4,-1.1 1,-0.3 -3,-0.2 0.619 83.2 85.9 -70.7 -13.6 -2.3 -44.9 18.6 301 305 A T H 3X S+ 0 0 2 -4,-1.8 4,-1.3 80,-0.2 -1,-0.3 0.668 89.6 54.6 -56.7 -19.2 -3.0 -48.6 19.6 302 306 A V H <> S+ 0 0 10 -3,-1.4 4,-2.6 2,-0.2 5,-0.5 0.958 99.8 53.9 -69.5 -75.5 -6.1 -47.0 21.0 303 307 A R H < S+ 0 0 69 -4,-0.5 4,-0.3 1,-0.2 -2,-0.2 0.582 116.6 41.9 -41.6 -20.4 -7.4 -45.2 17.9 304 308 A I H < S+ 0 0 4 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.917 117.5 37.2 -97.8 -56.9 -7.3 -48.5 16.1 305 309 A G H >X S+ 0 0 0 -4,-1.3 4,-1.0 80,-0.4 3,-0.7 0.711 116.9 56.5 -67.4 -21.0 -8.6 -51.3 18.4 306 310 A F H 3X S+ 0 0 16 -4,-2.6 4,-1.7 1,-0.3 2,-0.7 0.867 103.6 54.0 -73.3 -41.6 -11.2 -48.8 19.7 307 311 A S H 34 S+ 0 0 0 -5,-0.5 -1,-0.3 -4,-0.3 7,-0.2 -0.394 98.9 64.6 -92.1 50.2 -12.3 -48.4 16.2 308 312 A L H <4 S+ 0 0 25 -2,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.383 102.3 44.1-126.7 -48.5 -12.9 -52.1 15.8 309 313 A G H < S+ 0 0 21 -4,-1.0 2,-0.8 1,-0.1 -2,-0.2 0.994 111.1 59.5 -49.2 -64.3 -15.6 -52.5 18.4 310 314 A R S < S- 0 0 119 -4,-1.7 2,-1.1 1,-0.1 -1,-0.1 -0.657 112.8-130.6 -61.6 109.4 -16.9 -49.4 16.6 311 315 A R + 0 0 82 -2,-0.8 2,-3.3 -229,-0.2 -1,-0.1 0.093 65.0 134.8 -75.5 23.3 -17.0 -51.4 13.5 312 316 A E - 0 0 75 -2,-1.1 3,-0.4 3,-0.1 5,-0.3 -0.294 48.2-157.2 -66.5 60.1 -15.1 -49.1 11.1 313 317 A F S S- 0 0 16 -2,-3.3 2,-0.4 1,-0.3 -5,-0.1 -0.184 71.6 -15.9 -52.5 116.8 -13.1 -52.1 9.9 314 318 A S S > S+ 0 0 14 -7,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.099 109.2 104.6 64.4 -21.7 -9.8 -50.9 8.4 315 319 A R T 4 S+ 0 0 215 -3,-0.4 -2,-0.2 -2,-0.4 -1,-0.2 0.336 103.9 27.1 -61.0 9.8 -11.4 -47.4 8.3 316 320 A A T >> S+ 0 0 0 -4,-0.1 3,-1.7 -9,-0.0 4,-1.2 0.355 116.6 58.4-135.6 -33.1 -8.9 -47.5 11.2 317 321 A R T 34 S+ 0 0 1 -5,-0.3 4,-0.3 1,-0.3 -2,-0.2 0.446 104.5 55.7 -83.6 -0.1 -6.5 -50.1 9.9 318 322 A Y T 3< S+ 0 0 40 -4,-2.5 -1,-0.3 2,-0.2 4,-0.1 -0.135 104.9 51.1-115.4 28.5 -6.0 -47.8 7.0 319 323 A I T <4 S+ 0 0 15 -3,-1.7 4,-0.5 2,-0.1 5,-0.3 0.203 90.4 76.9-119.9 -17.3 -5.1 -45.2 9.6 320 324 A S S >X S+ 0 0 4 -4,-1.2 4,-3.0 -6,-0.2 3,-0.8 0.957 101.2 43.7 -40.8 -53.5 -2.7 -47.7 10.9 321 325 A G H 3> S+ 0 0 6 -4,-0.3 4,-2.9 1,-0.2 5,-0.2 0.985 110.7 49.9 -54.4 -63.7 -0.9 -46.5 7.8 322 326 A V H 34 S+ 0 0 34 -311,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.311 119.4 40.8 -74.2 13.0 -1.5 -42.7 8.2 323 327 A S H X> S+ 0 0 23 -3,-0.8 3,-1.2 -4,-0.5 4,-1.2 0.547 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