==== 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 19-SEP-05 2B2H . COMPND 2 MOLECULE: AMMONIUM TRANSPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR S.L.A.ANDRADE,A.DICKMANNS,R.FICNER,O.EINSLE . 391 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14775.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 82.6 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 . 5 1.3 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 . 1 0.3 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 . 9 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 237 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 4.3 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 2 0 3 0 0 1 0 0 0 0 1 2 0 0 0 1 2 1 0 0 1 0 1 0 1 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 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 ANTIPARALLEL 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 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 1 A M 0 0 134 0, 0.0 4,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 7.5 -7.7 4.4 -26.7 2 2 A S > - 0 0 64 3,-0.1 4,-2.0 2,-0.1 3,-0.3 0.828 360.0-140.3 77.8 98.5 -4.2 3.2 -26.3 3 3 A D H > S+ 0 0 138 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.853 100.9 58.7 -58.6 -35.0 -4.3 0.4 -23.7 4 4 A G H > S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.906 105.6 46.8 -62.7 -43.5 -1.1 1.7 -22.2 5 5 A N H > S+ 0 0 51 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.907 114.3 46.8 -66.6 -41.6 -2.6 5.1 -21.4 6 6 A V H X S+ 0 0 26 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.906 111.0 55.0 -65.0 -38.9 -5.8 3.6 -19.9 7 7 A A H X S+ 0 0 57 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.932 109.4 45.5 -58.8 -48.2 -3.5 1.2 -18.0 8 8 A W H X S+ 0 0 63 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.885 116.0 44.9 -65.5 -39.2 -1.5 4.0 -16.4 9 9 A I H X S+ 0 0 8 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.813 109.3 55.1 -76.6 -28.6 -4.6 6.1 -15.5 10 10 A L H X S+ 0 0 102 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.941 114.7 41.9 -65.2 -45.0 -6.5 3.1 -14.2 11 11 A A H X S+ 0 0 44 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.899 111.1 54.4 -67.6 -42.9 -3.5 2.5 -11.9 12 12 A S H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.851 106.1 54.8 -61.2 -32.0 -3.1 6.2 -11.1 13 13 A T H X S+ 0 0 14 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.917 107.9 47.2 -66.8 -42.9 -6.8 6.3 -10.0 14 14 A A H X S+ 0 0 61 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.915 111.5 53.1 -63.1 -43.4 -6.2 3.4 -7.5 15 15 A L H X S+ 0 0 25 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.889 109.4 46.6 -60.4 -42.9 -3.1 5.2 -6.2 16 16 A V H X S+ 0 0 0 -4,-2.2 4,-0.5 1,-0.2 3,-0.4 0.866 108.5 56.4 -70.1 -33.5 -5.0 8.5 -5.6 17 17 A M H >< S+ 0 0 61 -4,-2.0 3,-1.3 1,-0.2 5,-0.2 0.894 102.9 55.7 -62.5 -39.0 -7.8 6.6 -3.9 18 18 A L H 3X S+ 0 0 52 -4,-1.9 4,-1.7 1,-0.3 -1,-0.2 0.794 95.9 66.6 -64.2 -28.1 -5.3 5.1 -1.4 19 19 A M H 3X S+ 0 0 1 -4,-0.9 4,-2.1 -3,-0.4 -1,-0.3 0.740 90.0 66.2 -65.9 -22.7 -4.2 8.6 -0.5 20 20 A V H XX S+ 0 0 0 -3,-1.3 4,-1.6 -4,-0.5 3,-0.5 0.990 110.4 31.6 -65.6 -60.8 -7.6 9.3 1.1 21 21 A P H 3> S+ 0 0 7 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.843 114.4 67.0 -66.0 -23.8 -7.2 6.8 3.9 22 22 A G H 3X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.909 99.7 47.4 -57.3 -42.8 -3.5 7.7 3.7 23 23 A V H X S+ 0 0 2 -4,-2.8 3,-1.5 1,-0.2 4,-0.7 0.885 110.2 62.4 -74.9 -41.3 -3.4 12.6 10.8 28 28 A A H >< S+ 0 0 0 -4,-2.9 3,-1.0 1,-0.3 157,-0.3 0.862 98.8 56.5 -54.3 -39.7 -4.6 9.9 13.2 29 29 A G T 3< S+ 0 0 0 -4,-1.9 157,-2.0 1,-0.2 -1,-0.3 0.734 104.7 54.1 -66.4 -21.1 -1.0 9.3 14.4 30 30 A M T <4 S+ 0 0 30 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.568 100.2 68.7 -90.1 -11.9 -0.7 13.0 15.4 31 31 A V S << S- 0 0 0 -3,-1.0 154,-2.0 -4,-0.7 155,-0.3 -0.482 96.3 -76.3-100.0 176.2 -3.9 13.2 17.6 32 32 A R > - 0 0 59 152,-0.2 3,-2.6 -2,-0.2 4,-0.4 -0.348 40.4-110.7 -72.8 153.1 -4.6 11.6 21.0 33 33 A R G > S+ 0 0 140 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.832 116.4 62.1 -49.1 -40.1 -5.4 8.0 21.3 34 34 A K G 3 S+ 0 0 61 1,-0.3 347,-2.1 2,-0.1 348,-0.4 0.503 112.0 38.5 -68.0 -4.4 -9.0 8.8 22.3 35 35 A N G <> S+ 0 0 1 -3,-2.6 4,-2.2 345,-0.2 -1,-0.3 0.254 83.8 104.3-127.1 6.7 -9.5 10.4 18.9 36 36 A A H <> S+ 0 0 1 -3,-1.4 4,-1.7 -4,-0.4 5,-0.2 0.926 83.8 44.9 -58.7 -50.0 -7.5 8.0 16.7 37 37 A V H > S+ 0 0 32 -4,-0.4 4,-3.7 1,-0.2 5,-0.2 0.919 111.7 53.8 -62.0 -42.5 -10.6 6.2 15.2 38 38 A N H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.932 107.4 49.9 -57.4 -48.2 -12.4 9.5 14.6 39 39 A M H X S+ 0 0 0 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.892 117.3 40.6 -60.2 -40.5 -9.4 11.0 12.6 40 40 A I H >X S+ 0 0 36 -4,-1.7 4,-1.4 -5,-0.2 3,-1.1 0.945 112.4 54.6 -73.0 -48.9 -9.2 7.9 10.4 41 41 A A H 3X S+ 0 0 21 -4,-3.7 4,-2.7 1,-0.3 5,-0.3 0.862 100.4 61.9 -52.2 -39.9 -13.0 7.5 10.1 42 42 A L H 3X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -1,-0.3 0.859 102.4 50.3 -57.6 -36.4 -13.2 11.0 8.8 43 43 A S H S+ 0 0 31 -4,-2.3 5,-3.5 1,-0.2 4,-2.9 0.895 112.2 56.3 -64.5 -38.3 -21.9 13.6 -4.6 54 54 A W H <>S+ 0 0 0 -4,-2.6 5,-3.0 -5,-0.3 6,-0.5 0.944 113.0 37.8 -60.3 -50.9 -19.5 13.4 -7.5 55 55 A I H <5S+ 0 0 50 -4,-2.0 23,-1.3 -5,-0.2 24,-0.8 0.897 115.6 55.3 -69.0 -37.8 -21.6 10.9 -9.6 56 56 A F H <5S- 0 0 113 -4,-2.2 22,-1.0 -5,-0.2 -2,-0.2 0.950 143.1 -47.9 -60.2 -50.8 -24.8 12.6 -8.5 57 57 A Y T X5S+ 0 0 50 -4,-2.9 4,-3.1 20,-0.2 5,-0.3 0.416 113.9 94.7-161.3 -15.5 -23.8 16.1 -9.8 58 58 A G H > S+ 0 0 0 -6,-0.5 4,-2.6 1,-0.2 -2,-0.2 0.924 109.3 52.5 -63.7 -46.9 -21.1 17.7 -13.9 61 61 A V H < S+ 0 0 16 -4,-3.1 11,-2.5 1,-0.2 -1,-0.2 0.766 117.4 41.0 -62.1 -23.6 -20.8 20.9 -11.9 62 62 A S H < S+ 0 0 0 -4,-1.2 -2,-0.2 -5,-0.3 -1,-0.2 0.903 134.5 13.6 -89.6 -49.0 -17.0 20.7 -12.3 63 63 A F H < S+ 0 0 27 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.196 101.3 105.1-116.6 16.8 -16.6 19.6 -15.9 64 64 A G S < S- 0 0 7 -4,-2.6 3,-0.1 9,-0.2 10,-0.1 -0.113 85.9 -38.3 -86.1-171.6 -20.1 20.1 -17.4 65 65 A N S S- 0 0 106 7,-0.2 8,-1.5 1,-0.1 -1,-0.2 -0.218 71.8-117.6 -48.7 124.8 -21.4 22.7 -19.8 66 66 A D E -A 72 0A 73 6,-0.2 2,-0.5 -3,-0.1 6,-0.2 -0.457 26.9-166.7 -72.8 135.0 -19.8 26.0 -18.8 67 67 A I E >> S-A 71 0A 78 4,-2.5 3,-1.6 -2,-0.2 4,-1.1 -0.975 75.4 -26.2-124.3 114.7 -22.1 28.8 -17.7 68 68 A S T 34 S- 0 0 106 -2,-0.5 73,-0.1 1,-0.3 4,-0.1 0.630 105.9 -83.1 58.8 15.1 -20.4 32.2 -17.5 69 69 A G T 34 S+ 0 0 10 2,-0.3 72,-2.8 71,-0.1 73,-0.3 0.480 118.2 88.4 72.7 1.5 -17.1 30.5 -16.9 70 70 A I T <4 S+ 0 0 67 -3,-1.6 2,-0.3 1,-0.3 65,-0.3 0.683 93.7 4.5-105.1 -20.3 -17.6 30.0 -13.2 71 71 A I E < -A 67 0A 37 -4,-1.1 -4,-2.5 63,-0.1 -2,-0.3 -0.985 68.2-110.7-157.6 164.4 -19.3 26.6 -13.0 72 72 A G E -A 66 0A 6 -11,-2.5 -6,-0.2 -2,-0.3 -7,-0.2 -0.597 31.5-117.2 -98.1 163.3 -20.6 23.7 -15.1 73 73 A G - 0 0 16 -8,-1.5 3,-0.3 -2,-0.2 -9,-0.2 0.090 30.1 -99.9 -81.7-162.1 -24.1 22.7 -15.8 74 74 A L S > S+ 0 0 123 1,-0.2 3,-1.6 2,-0.1 -13,-0.1 0.121 82.4 114.0-110.5 21.7 -26.0 19.5 -14.9 75 75 A N T 3 S+ 0 0 51 1,-0.3 -1,-0.2 -15,-0.2 -14,-0.0 0.680 81.8 46.5 -66.0 -17.2 -25.7 17.7 -18.2 76 76 A Y T > S+ 0 0 52 -3,-0.3 3,-1.9 -19,-0.1 -1,-0.3 0.188 78.4 141.6-109.3 14.0 -23.6 15.0 -16.6 77 77 A A G X S+ 0 0 30 -3,-1.6 3,-2.2 1,-0.3 -20,-0.2 -0.318 80.2 7.7 -58.0 137.9 -25.7 14.5 -13.5 78 78 A L G 3 S- 0 0 107 -23,-1.3 -1,-0.3 -22,-1.0 -22,-0.2 0.796 131.6 -72.1 56.1 29.5 -25.8 10.8 -12.5 79 79 A L G X S+ 0 0 44 -3,-1.9 3,-2.2 -24,-0.8 -1,-0.3 0.643 80.3 172.8 62.1 16.9 -23.1 10.4 -15.2 80 80 A S T < S+ 0 0 78 -3,-2.2 -1,-0.2 1,-0.3 3,-0.1 -0.373 71.8 7.4 -56.7 121.0 -25.8 10.9 -17.9 81 81 A G T 3 S+ 0 0 60 1,-0.2 2,-0.6 -2,-0.1 -1,-0.3 0.719 97.3 125.3 78.2 20.6 -23.8 11.1 -21.1 82 82 A V < + 0 0 6 -3,-2.2 2,-0.3 -4,-0.1 -1,-0.2 -0.951 32.0 142.3-115.5 112.2 -20.5 10.2 -19.7 83 83 A K > + 0 0 172 -2,-0.6 3,-1.7 -3,-0.1 4,-0.3 -0.896 42.9 6.0-143.0 172.5 -18.8 7.2 -21.4 84 84 A G T >> S- 0 0 54 -2,-0.3 3,-0.9 1,-0.3 4,-0.9 -0.288 128.0 -4.2 57.4-131.2 -15.6 5.7 -22.6 85 85 A E H 3> S+ 0 0 103 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.732 128.4 67.9 -66.6 -24.0 -12.5 7.7 -21.6 86 86 A D H <> S+ 0 0 74 -3,-1.7 4,-2.6 1,-0.2 -1,-0.3 0.841 97.4 54.4 -64.3 -31.9 -14.7 10.4 -20.0 87 87 A L H <> S+ 0 0 67 -3,-0.9 4,-2.5 -4,-0.3 -1,-0.2 0.869 108.1 48.0 -68.8 -36.6 -15.7 7.8 -17.4 88 88 A L H X S+ 0 0 29 -4,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.895 113.2 47.9 -70.6 -38.1 -12.0 7.2 -16.6 89 89 A F H X S+ 0 0 49 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.915 111.5 50.8 -65.2 -44.4 -11.4 10.9 -16.3 90 90 A M H X S+ 0 0 4 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.944 112.6 46.4 -56.8 -50.8 -14.5 11.2 -14.1 91 91 A M H X S+ 0 0 63 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.897 113.3 48.5 -58.0 -47.8 -13.2 8.4 -11.9 92 92 A Y H >X S+ 0 0 0 -4,-2.6 4,-0.8 1,-0.2 3,-0.5 0.939 113.6 46.1 -60.6 -49.6 -9.7 9.9 -11.7 93 93 A Q H 3X S+ 0 0 9 -4,-2.8 4,-1.6 1,-0.2 3,-0.5 0.818 102.5 66.0 -64.0 -32.7 -10.9 13.4 -10.8 94 94 A M H 3X S+ 0 0 1 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.895 99.8 51.6 -55.5 -42.7 -13.3 12.0 -8.3 95 95 A M H < S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.923 105.1 54.7 -64.3 -43.4 -9.6 14.5 3.7 103 103 A I H >< S+ 0 0 3 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.876 102.4 60.7 -56.3 -37.4 -6.7 17.1 3.8 104 104 A L H >< S+ 0 0 9 -4,-1.6 3,-2.0 1,-0.3 4,-0.3 0.752 80.8 80.1 -61.4 -30.6 -9.2 19.6 5.2 105 105 A T G X< S+ 0 0 1 -3,-1.1 3,-0.9 -4,-0.8 4,-0.3 0.606 71.7 86.0 -57.5 -9.3 -10.0 17.4 8.3 106 106 A S G X S+ 0 0 0 -3,-1.3 3,-1.0 1,-0.2 193,-0.7 0.899 85.0 54.1 -56.6 -41.7 -6.8 18.9 9.7 107 107 A A G < S+ 0 0 0 -3,-2.0 191,-0.2 1,-0.2 -1,-0.2 0.650 110.2 43.7 -70.3 -18.4 -8.8 21.9 11.0 108 108 A I G X> S+ 0 0 8 -3,-0.9 3,-1.9 -4,-0.3 4,-0.6 0.215 78.0 152.5-112.6 14.6 -11.4 19.9 12.9 109 109 A A T <4 S- 0 0 0 -3,-1.0 189,-0.1 -4,-0.3 -3,-0.1 -0.178 71.7 -6.2 -51.1 127.7 -9.1 17.4 14.6 110 110 A E T 34 S+ 0 0 0 -75,-0.2 -1,-0.3 1,-0.1 269,-0.1 0.478 128.8 56.8 67.2 8.2 -10.4 16.2 17.9 111 111 A R T <4 S+ 0 0 0 -3,-1.9 260,-1.5 63,-0.1 2,-0.3 0.283 71.2 102.9-156.6 28.9 -13.5 18.3 18.3 112 112 A A B < -B 370 0B 6 -4,-0.6 2,-0.4 258,-0.2 258,-0.2 -0.860 65.0-116.7-118.0 151.6 -16.1 18.2 15.5 113 113 A K > - 0 0 66 256,-2.6 4,-2.1 -2,-0.3 5,-0.2 -0.693 22.1-139.0 -80.0 131.6 -19.4 16.5 15.1 114 114 A V H > S+ 0 0 19 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.916 102.6 54.1 -58.0 -44.6 -19.2 14.0 12.3 115 115 A S H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.895 109.4 47.4 -57.5 -42.6 -22.7 15.0 11.1 116 116 A S H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.873 109.2 54.0 -67.7 -37.0 -21.7 18.6 10.8 117 117 A F H X S+ 0 0 12 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.901 108.9 49.5 -62.4 -41.5 -18.4 17.7 9.0 118 118 A I H X S+ 0 0 57 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.939 112.6 47.2 -63.0 -46.6 -20.5 15.8 6.5 119 119 A L H X S+ 0 0 71 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.954 115.2 44.5 -59.4 -52.7 -22.9 18.7 6.0 120 120 A L H X S+ 0 0 9 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.883 111.8 53.9 -60.5 -40.1 -20.0 21.2 5.6 121 121 A S H X S+ 0 0 7 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.891 107.7 49.3 -62.2 -42.5 -18.1 18.9 3.3 122 122 A A H X S+ 0 0 24 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.894 114.5 45.9 -64.8 -39.6 -21.0 18.5 0.9 123 123 A L H X S+ 0 0 49 -4,-1.9 4,-3.1 -5,-0.2 5,-0.2 0.899 114.2 48.2 -68.4 -42.2 -21.4 22.3 0.8 124 124 A W H X>S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 5,-2.0 0.914 110.1 50.4 -65.3 -45.9 -17.7 22.9 0.4 125 125 A L H <>S+ 0 0 5 -4,-2.7 5,-2.8 3,-0.2 -1,-0.2 0.920 116.8 44.4 -58.6 -42.2 -17.4 20.4 -2.4 126 126 A T H <5S+ 0 0 28 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.925 125.4 26.9 -69.4 -49.1 -20.4 22.1 -4.1 127 127 A F H <5S+ 0 0 105 -4,-3.1 -2,-0.2 3,-0.1 -3,-0.2 0.509 135.0 20.8 -98.7 -5.5 -19.4 25.8 -3.7 128 128 A V T X5S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -3,-0.2 0.650 123.6 39.3-125.5 -55.2 -15.7 25.7 -3.5 129 129 A Y H > S+ 0 0 8 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.966 111.7 47.6 -56.3 -53.2 -16.0 25.8 -8.9 132 132 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.4 0.916 111.3 50.2 -53.0 -50.1 -12.2 25.7 -8.7 133 133 A A H X>S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-1.1 0.920 113.9 46.8 -56.4 -44.1 -12.0 22.5 -10.8 134 134 A H H X5S+ 0 0 0 -4,-2.4 6,-2.3 -5,-0.3 4,-0.8 0.920 109.1 53.2 -64.7 -45.6 -14.2 24.2 -13.4 135 135 A W H <5S+ 0 0 15 -4,-3.0 8,-2.6 -65,-0.3 9,-0.3 0.914 126.8 20.9 -56.0 -47.1 -12.3 27.5 -13.5 136 136 A L H <5S+ 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0.873 113.4 53.2 -60.2 -38.1 10.9 18.5 -4.8 227 227 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 29,-0.3 29,-0.2 0.941 110.9 46.6 -62.0 -47.0 9.8 16.1 -2.0 228 228 A A H X S+ 0 0 55 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.888 113.9 47.3 -63.0 -43.2 13.4 15.1 -1.3 229 229 A V H X S+ 0 0 33 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.949 115.3 43.4 -65.6 -50.7 14.7 18.7 -1.3 230 230 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 23,-0.2 0.855 114.1 51.7 -63.9 -36.6 11.9 20.0 1.0 231 231 A G H X S+ 0 0 5 -4,-2.3 4,-1.3 -5,-0.3 -1,-0.2 0.864 110.3 49.6 -67.4 -35.1 12.2 17.0 3.3 232 232 A F H X S+ 0 0 128 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.890 107.2 55.2 -69.5 -39.8 15.9 17.7 3.5 233 233 A V H X S+ 0 0 15 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.947 108.8 46.5 -59.3 -49.1 15.3 21.3 4.3 234 234 A W H X S+ 0 0 10 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.819 109.4 55.6 -64.4 -28.7 13.1 20.5 7.3 235 235 A M H X S+ 0 0 50 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.946 110.6 44.7 -67.0 -46.2 15.6 17.9 8.4 236 236 A V H X S+ 0 0 57 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.912 112.6 50.4 -62.8 -45.5 18.3 20.6 8.5 237 237 A I H X S+ 0 0 32 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.883 108.7 55.1 -60.3 -36.9 16.0 23.1 10.2 238 238 A G H X S+ 0 0 13 -4,-2.0 4,-0.5 -5,-0.2 -2,-0.2 0.925 109.4 44.5 -62.3 -45.2 15.3 20.3 12.7 239 239 A W H < S+ 0 0 155 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.863 111.1 54.9 -67.1 -36.1 19.0 19.9 13.5 240 240 A I H < S+ 0 0 130 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.865 117.0 36.3 -64.5 -35.7 19.4 23.7 13.7 241 241 A K H < S- 0 0 131 -4,-2.0 2,-0.3 -5,-0.2 -1,-0.2 0.384 137.5 -69.4 -99.2 3.2 16.6 23.9 16.3 242 242 A G S < S- 0 0 40 -4,-0.5 -4,-0.1 -3,-0.5 0, 0.0 -0.828 93.8 -4.7 152.7-109.3 17.5 20.7 18.0 243 243 A K - 0 0 170 -2,-0.3 2,-1.3 -3,-0.0 -2,-0.1 -0.885 69.4-103.6-121.9 153.0 17.0 17.2 16.6 244 244 A P - 0 0 35 0, 0.0 -9,-0.1 0, 0.0 2,-0.1 -0.591 39.3-158.9 -77.1 92.0 15.5 16.0 13.3 245 245 A G > - 0 0 44 -2,-1.3 4,-1.7 1,-0.1 -7,-0.1 -0.420 21.3-127.5 -69.0 149.2 12.1 14.6 14.3 246 246 A S H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.827 109.1 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