==== 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/SIGNALING PROTEIN 02-NOV-06 2NS1 . COMPND 2 MOLECULE: AMMONIA CHANNEL; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR F.GRUSWITZ,J.O'CONNELL III,R.M.STROUD,CENTER FOR STRUCTURES . 517 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22255.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 399 77.2 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 . 36 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 3 0.6 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 . 18 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 255 49.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 4.6 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 1 0 4 0 0 2 1 0 1 0 1 2 0 0 1 3 1 1 0 0 0 0 0 0 0 1 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 . 2 1 1 0 0 0 2 1 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 . 2 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 3 A A 0 0 124 0, 0.0 2,-0.4 0, 0.0 88,-0.1 0.000 360.0 360.0 360.0 -87.4 -9.2 11.6 53.2 2 4 A V - 0 0 124 89,-0.1 2,-0.3 86,-0.0 86,-0.0 -0.949 360.0-119.1-115.6 144.7 -8.6 7.9 53.9 3 5 A A - 0 0 12 -2,-0.4 2,-0.6 84,-0.1 90,-0.2 -0.648 17.7-136.8 -80.3 136.1 -7.7 6.7 57.4 4 6 A D > - 0 0 81 88,-3.0 4,-2.4 -2,-0.3 3,-0.4 -0.862 7.8-149.0 -92.0 120.4 -4.3 5.0 57.8 5 7 A K H > S+ 0 0 172 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.773 97.1 58.3 -63.2 -25.8 -4.9 1.9 60.0 6 8 A A H > S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.885 110.0 43.0 -69.0 -39.4 -1.4 2.2 61.4 7 9 A D H > S+ 0 0 10 -3,-0.4 4,-2.6 85,-0.2 -2,-0.2 0.857 112.4 53.5 -72.6 -38.4 -2.2 5.7 62.6 8 10 A N H X S+ 0 0 10 -4,-2.4 4,-2.2 84,-0.2 5,-0.2 0.938 112.1 45.9 -57.3 -51.8 -5.6 4.6 63.9 9 11 A A H X S+ 0 0 50 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.946 114.3 46.8 -55.9 -53.1 -3.9 1.9 65.9 10 12 A F H X S+ 0 0 55 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.908 114.2 47.7 -58.3 -43.9 -1.2 4.2 67.3 11 13 A M H X S+ 0 0 4 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.824 109.0 51.6 -76.4 -31.3 -3.7 6.9 68.2 12 14 A M H X S+ 0 0 103 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.941 114.5 45.0 -65.2 -43.1 -6.2 4.5 70.0 13 15 A I H X S+ 0 0 110 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.916 111.0 52.9 -69.5 -39.9 -3.3 3.1 72.0 14 16 A C H X S+ 0 0 4 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.899 107.8 52.7 -57.8 -40.5 -2.0 6.7 72.7 15 17 A T H X S+ 0 0 9 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.921 107.4 50.0 -60.2 -48.3 -5.5 7.6 73.9 16 18 A A H X S+ 0 0 55 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.892 110.4 52.6 -53.9 -40.7 -5.5 4.7 76.4 17 19 A L H X S+ 0 0 45 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.910 109.7 46.7 -66.8 -40.7 -2.1 5.8 77.6 18 20 A V H X S+ 0 0 0 -4,-2.3 4,-0.8 2,-0.2 3,-0.5 0.902 111.1 51.6 -67.4 -40.8 -3.3 9.4 78.2 19 21 A L H >X S+ 0 0 57 -4,-2.4 4,-2.8 1,-0.2 3,-1.0 0.897 104.6 58.5 -59.0 -38.2 -6.4 8.1 80.0 20 22 A F H 3<>S+ 0 0 80 -4,-2.1 5,-2.2 1,-0.3 -1,-0.2 0.792 94.5 65.8 -60.2 -32.0 -4.0 6.0 82.2 21 23 A M H 3<>S+ 0 0 1 -4,-1.0 5,-2.0 -3,-0.5 -1,-0.3 0.844 114.6 28.7 -61.5 -33.9 -2.4 9.3 83.2 22 24 A T H <<>S+ 0 0 1 -3,-1.0 5,-1.1 -4,-0.8 -2,-0.2 0.890 111.7 71.1 -87.4 -49.2 -5.6 10.3 85.0 23 25 A I T <5S- 0 0 66 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.1 -0.885 133.2 -21.9-113.4 94.9 -6.9 6.8 85.9 24 26 A P T >5S+ 0 0 43 0, 0.0 4,-2.4 0, 0.0 5,-0.3 -0.960 127.4 76.0-108.3 5.7 -5.0 6.1 88.0 25 27 A G H >< S+ 0 0 0 -4,-2.3 3,-0.6 -5,-0.3 163,-0.3 0.907 106.3 46.2 -54.9 -43.5 -3.2 10.7 96.8 32 34 A G H 3< S+ 0 0 0 -4,-2.4 163,-2.0 1,-0.2 162,-0.3 0.751 106.9 59.2 -70.6 -26.4 0.2 9.7 98.2 33 35 A L H 3< S+ 0 0 20 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.696 103.0 59.0 -75.0 -24.2 1.2 13.3 98.8 34 36 A I S << S- 0 0 4 -4,-1.1 160,-2.0 -3,-0.6 161,-0.3 -0.341 98.4 -72.5-100.7-177.8 -1.6 14.0 101.2 35 37 A R > - 0 0 36 158,-0.2 3,-2.0 159,-0.1 4,-0.5 -0.422 38.2-116.1 -80.9 154.0 -2.7 12.5 104.5 36 38 A G G > S+ 0 0 25 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.807 112.7 60.5 -58.5 -35.5 -4.3 9.1 104.8 37 39 A K G 3 S+ 0 0 60 1,-0.2 356,-2.0 2,-0.1 357,-0.4 0.579 112.9 39.9 -69.3 -11.4 -7.6 10.5 106.2 38 40 A N G <> S+ 0 0 0 -3,-2.0 4,-1.5 354,-0.2 3,-0.5 0.385 84.6 98.6-115.8 -0.8 -8.0 12.4 102.9 39 41 A V H <> S+ 0 0 2 -3,-0.9 4,-2.3 -4,-0.5 3,-0.2 0.903 82.7 51.3 -59.2 -45.1 -6.7 9.8 100.3 40 42 A L H > S+ 0 0 28 -4,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.820 104.0 58.6 -63.2 -29.9 -10.1 8.6 99.2 41 43 A S H > S+ 0 0 1 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.921 107.9 46.6 -66.2 -38.3 -11.3 12.2 98.6 42 44 A M H X S+ 0 0 2 -4,-1.5 4,-2.7 2,-0.2 5,-0.3 0.966 114.0 47.4 -65.8 -48.1 -8.5 12.7 96.1 43 45 A L H X S+ 0 0 47 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.904 115.4 45.5 -60.3 -43.5 -9.3 9.3 94.4 44 46 A T H X S+ 0 0 40 -4,-2.8 4,-2.7 2,-0.2 5,-0.4 0.887 111.2 52.0 -66.9 -43.6 -13.0 10.1 94.2 45 47 A Q H X S+ 0 0 2 -4,-2.5 4,-2.3 -5,-0.2 5,-0.3 0.942 113.4 44.3 -58.5 -48.0 -12.5 13.7 93.0 46 48 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.942 116.6 46.8 -60.7 -45.8 -10.3 12.5 90.2 47 49 A T H X S+ 0 0 73 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.908 117.1 40.6 -66.3 -44.0 -12.6 9.6 89.3 48 50 A V H X S+ 0 0 54 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.885 115.9 48.9 -79.0 -35.2 -15.8 11.6 89.3 49 51 A T H X S+ 0 0 1 -4,-2.3 4,-3.0 -5,-0.4 5,-0.2 0.917 109.2 55.8 -65.3 -38.7 -14.4 14.7 87.6 50 52 A F H X S+ 0 0 38 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.948 109.2 45.7 -52.2 -51.3 -13.0 12.4 85.0 51 53 A A H X S+ 0 0 50 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.908 113.5 49.4 -61.9 -43.5 -16.4 10.9 84.3 52 54 A L H X S+ 0 0 44 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.929 111.3 48.4 -62.5 -46.9 -18.0 14.4 84.2 53 55 A V H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.931 109.0 54.5 -60.3 -44.0 -15.4 15.7 81.8 54 56 A C H X S+ 0 0 43 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.889 113.1 42.4 -57.8 -40.9 -15.8 12.6 79.6 55 57 A I H X S+ 0 0 104 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.937 114.0 48.5 -72.4 -47.6 -19.5 13.3 79.3 56 58 A L H X>S+ 0 0 24 -4,-3.0 5,-2.6 1,-0.2 4,-2.4 0.889 108.8 57.7 -61.0 -34.9 -19.3 17.0 78.8 57 59 A W H <>S+ 0 0 6 -4,-2.8 5,-2.8 -5,-0.3 6,-0.4 0.916 111.7 38.5 -60.3 -46.8 -16.7 16.5 76.1 58 60 A V H <5S+ 0 0 44 -4,-1.4 22,-0.7 -5,-0.2 23,-0.4 0.842 116.1 53.1 -76.8 -30.4 -18.9 14.2 74.0 59 61 A V H <5S- 0 0 50 -4,-2.5 21,-1.8 21,-0.2 22,-0.2 0.982 141.5 -34.7 -67.2 -53.8 -22.1 16.3 74.7 60 62 A Y T X5S+ 0 0 47 -4,-2.4 4,-2.3 19,-0.2 5,-0.2 0.539 115.8 86.0-142.4 -18.9 -20.6 19.7 73.6 61 63 A G H >XS+ 0 0 1 -5,-2.8 4,-3.1 2,-0.2 5,-0.5 0.926 113.8 50.0 -61.6 -44.1 -15.4 18.5 71.5 63 65 A S H >5S+ 0 0 1 -6,-0.4 4,-2.1 15,-0.3 12,-1.4 0.938 114.5 42.9 -59.2 -50.4 -17.7 20.5 69.1 64 66 A L H <5S+ 0 0 33 -4,-2.3 10,-2.8 10,-0.3 -1,-0.2 0.735 120.4 43.1 -71.1 -24.0 -16.9 23.9 70.8 65 67 A A H <5S+ 0 0 0 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.921 130.0 19.8 -82.2 -50.5 -13.2 23.1 71.0 66 68 A F H <5S+ 0 0 29 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.544 98.3 100.6-106.6 -10.9 -12.4 21.6 67.6 67 69 A G S < S+ 0 0 102 -2,-0.2 3,-0.9 1,-0.1 -12,-0.1 -0.026 79.3 109.8-114.5 28.6 -22.4 23.2 68.2 77 79 A N T 3 S+ 0 0 93 1,-0.2 -1,-0.1 -14,-0.2 -17,-0.0 0.753 79.3 49.2 -73.2 -25.5 -22.6 21.2 65.0 78 80 A W T > S+ 0 0 50 -3,-0.2 3,-2.2 -18,-0.1 -15,-0.3 -0.190 74.0 157.0-110.5 36.6 -21.1 18.1 66.7 79 81 A L G X S- 0 0 46 -3,-0.9 3,-2.6 1,-0.3 -19,-0.2 -0.453 82.8 -2.2 -64.1 130.2 -23.3 17.9 69.8 80 82 A M G 3 S- 0 0 125 -21,-1.8 -1,-0.3 -22,-0.7 -21,-0.2 0.709 128.0 -72.4 53.4 25.9 -23.3 14.3 71.1 81 83 A L G X S+ 0 0 21 -3,-2.2 3,-1.4 -23,-0.4 -1,-0.3 0.655 89.4 159.4 61.4 19.3 -21.0 13.7 68.1 82 84 A K T < + 0 0 113 -3,-2.6 -1,-0.2 1,-0.2 3,-0.1 -0.383 59.8 30.5 -64.2 149.5 -24.0 14.0 65.8 83 85 A N T 3 S+ 0 0 121 1,-0.2 2,-0.6 -3,-0.1 -1,-0.2 0.477 89.4 113.8 77.7 5.4 -23.1 14.8 62.2 84 86 A I < - 0 0 13 -3,-1.4 -1,-0.2 4,-0.0 2,-0.1 -0.944 63.5-140.3-103.3 110.9 -19.7 13.0 62.5 85 87 A E > - 0 0 140 -2,-0.6 3,-2.2 1,-0.1 10,-0.2 -0.485 17.8-121.9 -67.3 144.5 -19.9 10.0 60.1 86 88 A L T 3 S+ 0 0 122 1,-0.3 10,-0.3 -2,-0.1 -1,-0.1 0.852 115.4 47.7 -56.6 -35.1 -18.3 6.9 61.6 87 89 A T T 3 S+ 0 0 92 7,-0.1 -1,-0.3 8,-0.1 -84,-0.1 0.367 82.9 129.6 -90.1 7.1 -15.9 6.8 58.6 88 90 A A < - 0 0 23 -3,-2.2 7,-3.1 6,-0.1 8,-0.4 -0.372 48.6-146.2 -62.1 138.4 -15.1 10.5 58.9 89 91 A V E -A 94 0A 33 5,-0.3 2,-0.4 6,-0.1 5,-0.2 -0.871 16.3-171.3-113.0 137.2 -11.3 11.1 58.8 90 92 A M E > S-A 93 0A 68 3,-3.1 3,-1.7 -2,-0.4 2,-0.5 -0.988 75.0 -33.2-127.5 115.2 -9.5 13.9 60.7 91 93 A G T 3 S- 0 0 72 -2,-0.4 -89,-0.1 1,-0.2 4,-0.1 -0.608 126.9 -33.0 70.4-118.3 -5.8 14.1 59.7 92 94 A S T 3 S+ 0 0 30 -2,-0.5 -88,-3.0 127,-0.4 2,-0.3 0.222 126.1 72.1-116.8 17.4 -5.0 10.5 58.9 93 95 A I E < S-A 90 0A 6 -3,-1.7 -3,-3.1 -90,-0.2 -88,-0.1 -0.850 93.1 -84.1-127.9 158.6 -7.3 8.8 61.5 94 96 A Y E >> -A 89 0A 89 -2,-0.3 3,-1.3 -5,-0.2 4,-1.3 -0.394 41.1-126.3 -57.1 137.1 -11.0 8.3 62.1 95 97 A Q H 3> S+ 0 0 12 -7,-3.1 4,-2.4 1,-0.3 5,-0.1 0.824 107.5 65.9 -60.0 -34.0 -12.4 11.4 63.7 96 98 A Y H 3> S+ 0 0 98 -8,-0.4 4,-1.9 -10,-0.3 -1,-0.3 0.829 100.4 51.3 -54.8 -33.5 -13.9 9.3 66.5 97 99 A I H <> S+ 0 0 15 -3,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.898 107.1 52.5 -71.6 -41.4 -10.3 8.6 67.6 98 100 A H H X S+ 0 0 32 -4,-1.3 4,-2.6 2,-0.2 5,-0.3 0.902 107.2 54.0 -57.8 -41.0 -9.5 12.3 67.5 99 101 A V H X S+ 0 0 5 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.948 112.9 41.9 -58.5 -49.0 -12.5 12.8 69.8 100 102 A A H X S+ 0 0 47 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.913 113.7 51.7 -65.4 -45.1 -11.3 10.3 72.3 101 103 A F H X S+ 0 0 4 -4,-2.7 4,-1.0 1,-0.2 3,-0.2 0.962 114.7 41.4 -60.9 -50.7 -7.7 11.5 72.1 102 104 A Q H X S+ 0 0 16 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.838 110.9 58.3 -66.5 -31.1 -8.5 15.2 72.7 103 105 A G H X S+ 0 0 9 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.891 100.8 56.8 -63.4 -36.8 -11.1 14.2 75.4 104 106 A S H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.812 103.3 54.1 -66.5 -32.1 -8.3 12.5 77.3 105 107 A F H X S+ 0 0 0 -4,-1.0 4,-2.1 -3,-0.2 -1,-0.2 0.890 105.6 52.5 -64.9 -43.9 -6.4 15.8 77.4 106 108 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.914 109.7 51.5 -54.3 -41.5 -9.4 17.5 78.9 107 109 A C H X S+ 0 0 1 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.926 110.2 43.9 -66.0 -48.9 -9.5 14.8 81.6 108 110 A I H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.894 110.7 57.0 -66.0 -38.5 -5.8 15.0 82.7 109 111 A T H X S+ 0 0 0 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.950 111.5 41.9 -57.7 -45.9 -6.0 18.8 82.7 110 112 A V H >X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.2 3,-0.8 0.917 110.8 56.5 -70.0 -40.5 -8.9 18.8 85.1 111 113 A G H 3< S+ 0 0 0 -4,-2.6 4,-0.4 1,-0.2 3,-0.3 0.860 101.8 59.0 -56.6 -34.5 -7.3 16.0 87.2 112 114 A L H >< S+ 0 0 3 -4,-2.1 3,-0.8 1,-0.2 4,-0.3 0.835 97.0 60.9 -62.6 -34.4 -4.3 18.2 87.7 113 115 A I H X< S+ 0 0 2 -4,-0.9 3,-2.3 -3,-0.8 4,-0.5 0.887 89.9 67.3 -63.1 -40.3 -6.3 21.0 89.3 114 116 A V G >< S+ 0 0 2 -4,-0.9 3,-0.8 -3,-0.3 4,-0.4 0.697 83.3 72.4 -65.0 -20.1 -7.5 19.0 92.3 115 117 A G G < S+ 0 0 0 -3,-0.8 195,-1.3 -4,-0.4 3,-0.5 0.779 96.4 53.2 -61.9 -25.4 -4.1 18.7 93.9 116 118 A A G < S+ 0 0 0 -3,-2.3 -1,-0.2 -4,-0.3 -2,-0.2 0.716 110.3 46.9 -79.0 -23.9 -4.3 22.4 94.7 117 119 A L S X> S+ 0 0 0 -3,-0.8 4,-1.1 -4,-0.5 3,-1.0 0.332 85.0 142.8 -97.8 3.5 -7.6 22.0 96.5 118 120 A A T 34 + 0 0 1 -3,-0.5 65,-0.1 -4,-0.4 -3,-0.1 -0.065 58.6 7.8 -64.3 145.1 -6.8 19.0 98.6 119 121 A E T 34 S+ 0 0 0 -81,-0.2 -1,-0.2 1,-0.1 272,-0.1 0.205 127.0 43.3 83.5 -11.1 -7.9 18.3 102.1 120 122 A R T <4 S+ 0 0 0 -3,-1.0 263,-2.3 63,-0.1 2,-0.2 0.441 80.9 107.5-141.5 -1.3 -10.4 21.1 102.7 121 123 A I B < -B 382 0B 0 -4,-1.1 2,-0.5 261,-0.2 261,-0.2 -0.520 69.2-117.7 -81.2 146.0 -12.5 21.5 99.5 122 124 A R >> - 0 0 60 259,-2.8 4,-1.4 -2,-0.2 3,-0.9 -0.734 20.1-133.6 -80.7 131.0 -16.2 20.4 99.4 123 125 A F H 3> S+ 0 0 42 -2,-0.5 4,-1.5 1,-0.3 3,-0.2 0.847 104.3 50.4 -55.2 -46.3 -16.8 17.6 96.9 124 126 A S H 3> S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.806 105.6 58.9 -64.0 -30.5 -19.9 19.1 95.3 125 127 A A H <> S+ 0 0 0 -3,-0.9 4,-2.7 255,-0.2 -1,-0.2 0.882 102.2 53.7 -65.4 -39.8 -18.0 22.4 94.9 126 128 A V H X S+ 0 0 0 -4,-1.4 4,-2.6 -3,-0.2 -2,-0.2 0.929 108.6 49.1 -58.4 -46.1 -15.3 20.6 92.8 127 129 A L H X 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292 A G H X S+ 0 0 0 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.906 114.1 40.3 -58.1 -46.9 14.1 20.3 86.8 291 293 A L H X S+ 0 0 81 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.871 114.5 53.8 -71.6 -36.4 15.9 23.2 88.5 292 294 A A H X S+ 0 0 17 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.900 109.3 48.9 -65.0 -41.8 12.9 25.6 87.8 293 295 A G H X S+ 0 0 0 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.900 108.5 53.0 -60.3 -42.1 10.5 23.1 89.5 294 296 A L H X S+ 0 0 11 -4,-1.7 4,-0.8 -5,-0.2 5,-0.2 0.938 113.1 43.8 -60.9 -47.2 12.8 22.8 92.5 295 297 A W H ><>S+ 0 0 106 -4,-2.3 5,-2.6 1,-0.2 3,-0.8 0.920 109.9 59.4 -57.3 -44.0 12.8 26.6 92.8 296 298 A G H 3<>S+ 0 0 1 -4,-2.7 5,-0.6 18,-0.3 -2,-0.2 0.845 110.7 37.8 -56.7 -40.8 9.0 26.5 92.2 297 299 A V H 3<5S+ 0 0 1 -4,-2.0 157,-0.4 17,-0.2 -1,-0.2 0.495 128.3 31.5 -93.6 -4.1 8.2 24.2 95.2 298 300 A T T 5S+ 0 0 127 -5,-0.2 4,-2.0 1,-0.2 -3,-0.2 0.893 129.1 46.6 -65.6 -43.5 11.6 29.5 97.2 300 302 A L H >XS+ 0 0 45 -5,-0.6 4,-1.4 -6,-0.5 5,-0.6 0.916 109.6 48.4 -55.4 -44.8 6.1 28.6 97.3 302 304 A R H <5S+ 0 0 217 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.887 111.4 51.0 -63.4 -39.7 7.5 30.6 100.3 303 305 A L H <5S+ 0 0 128 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.873 110.7 47.3 -61.5 -43.4 7.1 33.8 98.3 304 306 A L H <5S- 0 0 45 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.746 88.3-151.4 -76.9 -24.2 3.5 33.2 97.3 305 307 A R T <5 + 0 0 171 -4,-1.4 2,-0.3 -5,-0.2 -3,-0.1 0.916 47.6 136.3 48.3 50.1 2.3 32.2 100.8 306 308 A V < - 0 0 5 -5,-0.6 2,-0.9 2,-0.1 -1,-0.2 -0.922 59.1-126.5-121.6 148.9 -0.4 29.9 99.3 307 309 A D + 0 0 1 -2,-0.3 3,-0.1 -130,-0.3 -126,-0.0 -0.797 41.3 155.7 -99.6 94.5 -1.4 26.4 100.4 308 310 A D > - 0 0 2 -2,-0.9 3,-1.9 1,-0.1 -192,-0.2 -0.913 25.5-165.0-114.8 87.3 -1.2 24.3 97.2 309 311 A P T 3 S+ 0 0 18 0, 0.0 -193,-0.2 0, 0.0 -1,-0.1 0.812 83.8 37.3 -57.4 -33.8 -0.7 20.9 98.9 310 312 A C T 3 S- 0 0 2 -195,-1.3 -194,-0.1 -3,-0.1 -195,-0.1 0.274 107.4-120.9 -98.2 10.9 0.5 19.0 95.8 311 313 A D <> + 0 0 8 -3,-1.9 4,-1.2 -196,-0.2 5,-0.4 0.900 52.1 160.3 50.0 49.2 2.5 22.0 94.4 312 314 A V H >>S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 5,-0.9 0.936 74.5 43.4 -63.9 -43.0 0.5 22.0 91.2 313 315 A F H >>S+ 0 0 26 1,-0.2 5,-2.0 3,-0.2 4,-1.0 0.929 109.2 55.7 -70.8 -45.2 1.6 25.6 90.5 314 316 A G H 45S+ 0 0 4 3,-0.2 -18,-0.3 2,-0.1 -17,-0.2 0.696 123.8 24.0 -58.6 -26.7 5.2 25.1 91.4 315 317 A V H X5S+ 0 0 1 -4,-1.2 4,-2.2 -3,-0.3 5,-0.4 0.806 131.6 33.2-102.8 -62.7 5.6 22.3 88.9 316 318 A H H X5S+ 0 0 7 -4,-1.6 4,-1.0 -5,-0.4 -3,-0.2 0.845 125.8 39.8 -68.0 -36.7 3.0 22.6 86.2 317 319 A G H X< S+ 0 0 51 -4,-2.4 3,-1.0 1,-0.2 4,-0.4 0.949 112.8 50.7 -66.2 -50.3 9.4 30.0 76.4 326 328 A M H >X S+ 0 0 20 -4,-3.0 4,-3.0 1,-0.3 3,-1.0 0.774 99.8 65.7 -63.0 -25.3 12.2 27.5 75.6 327 329 A T H 3X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.3 -1,-0.3 0.872 97.2 55.6 -61.8 -37.8 10.2 26.1 72.7 328 330 A G H << S+ 0 0 0 -3,-1.0 22,-0.3 -4,-0.8 -1,-0.3 0.584 114.6 40.2 -73.1 -12.3 10.5 29.5 71.0 329 331 A I H X4 S+ 0 0 48 -3,-1.0 3,-1.7 -4,-0.4 -2,-0.2 0.826 117.1 43.9 -90.1 -56.6 14.3 29.2 71.3 330 332 A F H 3< S+ 0 0 25 -4,-3.0 -52,-0.5 1,-0.3 -2,-0.2 0.513 93.0 76.8 -82.5 -5.1 14.9 25.5 70.5 331 333 A A T 3< S+ 0 0 0 -4,-1.4 8,-2.7 -5,-0.2 -1,-0.3 0.667 72.9 116.7 -67.7 -18.7 12.6 25.2 67.5 332 334 A A S X >S- 0 0 4 -3,-1.7 5,-2.4 7,-0.2 3,-1.4 -0.275 70.4-136.0 -56.2 134.9 15.4 27.0 65.6 333 335 A S G > 5S+ 0 0 87 1,-0.3 3,-1.9 3,-0.2 -1,-0.1 0.888 106.1 58.2 -53.7 -43.1 17.0 25.0 62.8 334 336 A S G 3 5S+ 0 0 110 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.696 106.4 48.9 -66.0 -20.1 20.5 26.2 64.0 335 337 A L G < 5S- 0 0 75 -3,-1.4 -57,-0.4 -6,-0.2 -1,-0.3 0.237 128.8 -93.7-103.9 12.4 19.8 24.7 67.4 336 338 A G T < 5S+ 0 0 51 -3,-1.9 -3,-0.2 1,-0.3 -57,-0.2 0.447 84.5 130.3 94.2 4.8 18.6 21.3 66.0 337 339 A G S - 0 0 68 1,-0.2 3,-2.1 -186,-0.1 -1,-0.1 -0.224 61.8 -65.9 -64.6 161.7 7.7 29.0 60.2 342 344 A E T 3 S+ 0 0 202 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.249 123.4 9.5 -49.6 128.2 8.2 31.1 57.1 343 345 A G T 3 S+ 0 0 81 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.498 100.4 124.7 80.1 4.3 8.9 34.7 57.9 344 346 A V < - 0 0 34 -3,-2.1 2,-0.2 4,-0.0 -1,-0.2 -0.869 40.7-164.3-106.6 129.5 9.4 34.0 61.6 345 347 A T > - 0 0 89 -2,-0.5 4,-2.9 -3,-0.1 5,-0.2 -0.605 36.1-108.0 -98.4 164.7 12.5 35.0 63.6 346 348 A M H > S+ 0 0 65 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.911 120.7 51.4 -55.3 -45.5 13.4 33.7 67.1 347 349 A G H > S+ 0 0 43 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.879 110.8 47.4 -60.6 -39.0 12.6 37.1 68.6 348 350 A H H > S+ 0 0 92 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.916 111.7 50.2 -71.9 -42.3 9.2 37.1 67.0 349 351 A Q H X S+ 0 0 4 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.911 107.5 54.1 -59.8 -41.7 8.5 33.5 68.1 350 352 A L H X S+ 0 0 45 -4,-2.7 4,-2.7 -22,-0.3 -1,-0.2 0.884 107.8 50.4 -60.5 -39.6 9.5 34.3 71.7 351 353 A L H X S+ 0 0 118 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.919 109.9 49.7 -62.9 -45.6 7.0 37.2 71.7 352 354 A V H X S+ 0 0 10 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.911 111.4 49.6 -59.1 -43.8 4.3 34.9 70.4 353 355 A Q H X S+ 0 0 4 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.947 111.8 47.7 -60.5 -47.8 5.1 32.4 73.1 354 356 A L H X 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