==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 04-DEC-02 1NC5 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YTER; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR R.ZHANG,L.LOZONDRA,S.KOROLEV,F.COLLART,A.JOACHIMIAK,MIDWEST . 363 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15021.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 73.3 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 . 23 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 17 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 45.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 1 0 0 2 2 0 4 1 0 1 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 . 6 1 2 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 . 2 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 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 11 A K 0 0 165 0, 0.0 5,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -20.9 10.7 33.0 28.9 2 12 A S >> - 0 0 17 1,-0.1 3,-1.2 2,-0.0 4,-1.1 -0.530 360.0-120.0 -74.6 141.2 8.5 35.6 27.1 3 13 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-0.3 0.850 110.6 55.1 -47.6 -45.7 8.7 35.5 23.3 4 14 A L H 3> S+ 0 0 30 1,-0.2 4,-2.6 347,-0.2 5,-0.2 0.794 99.4 62.7 -62.6 -28.6 10.1 39.1 22.9 5 15 A T H <> S+ 0 0 74 -3,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.939 108.4 40.6 -61.6 -47.0 13.0 38.2 25.3 6 16 A Y H X S+ 0 0 42 -4,-1.1 4,-2.6 -3,-0.3 5,-0.3 0.863 112.0 57.0 -68.2 -37.7 14.3 35.6 22.8 7 17 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.927 110.1 44.1 -59.6 -45.9 13.6 37.8 19.9 8 18 A E H X S+ 0 0 43 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.883 111.4 54.4 -66.9 -38.3 15.8 40.6 21.3 9 19 A A H X S+ 0 0 34 -4,-1.9 4,-1.9 -5,-0.2 305,-0.4 0.942 113.3 40.9 -60.8 -49.7 18.5 38.1 22.2 10 20 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.911 114.8 52.2 -66.0 -43.3 18.7 36.7 18.7 11 21 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 0.943 111.9 45.3 -58.2 -49.9 18.4 40.1 17.1 12 22 A N H X S+ 0 0 52 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.860 110.8 54.7 -63.4 -36.2 21.3 41.6 19.2 13 23 A T H X S+ 0 0 17 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.943 112.1 42.4 -62.2 -48.7 23.4 38.5 18.6 14 24 A I H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.924 112.7 52.8 -64.0 -46.3 23.1 38.8 14.8 15 25 A M H < S+ 0 0 29 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.754 111.9 47.6 -62.2 -23.8 23.6 42.6 14.9 16 26 A N H < S+ 0 0 144 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.768 110.3 51.8 -86.9 -27.1 26.8 42.0 16.9 17 27 A T H < S+ 0 0 72 -4,-1.6 2,-0.4 1,-0.2 -2,-0.2 0.865 118.2 32.6 -75.1 -36.4 28.0 39.3 14.5 18 28 A Y < - 0 0 72 -4,-2.4 -1,-0.2 -5,-0.1 2,-0.1 -0.969 64.0-146.6-129.8 137.5 27.6 41.5 11.4 19 29 A T >> - 0 0 66 -2,-0.4 4,-1.9 1,-0.1 3,-1.3 -0.458 48.8 -99.6 -81.9 168.6 27.9 45.2 10.6 20 30 A V T 34 S+ 0 0 13 1,-0.3 7,-0.4 2,-0.2 -1,-0.1 0.821 127.3 59.4 -63.0 -25.3 25.3 46.2 7.9 21 31 A E T 34 S+ 0 0 101 1,-0.2 -1,-0.3 5,-0.1 6,-0.2 0.740 112.0 39.6 -72.6 -21.0 28.2 46.0 5.4 22 32 A E T <4 S+ 0 0 98 -3,-1.3 4,-0.3 4,-0.2 -2,-0.2 0.686 77.3 123.2 -99.8 -23.6 28.7 42.3 6.4 23 33 A L S < S- 0 0 0 -4,-1.9 5,-0.4 2,-0.1 4,-0.3 -0.196 78.9 -74.0 -44.1 111.6 25.1 41.2 6.7 24 34 A P S S+ 0 0 40 0, 0.0 317,-0.1 0, 0.0 -1,-0.1 -0.339 127.6 38.8 -69.5 139.4 25.1 38.2 4.2 25 35 A P S > S- 0 0 41 0, 0.0 3,-1.5 0, 0.0 -2,-0.1 0.277 109.1-125.9 -71.7 122.3 25.1 38.2 1.3 26 36 A A T 3 S- 0 0 65 -4,-0.3 -4,-0.2 1,-0.3 -5,-0.1 -0.048 79.1 -6.5 -45.3 129.4 27.5 41.1 2.0 27 37 A N T 3 S+ 0 0 95 -7,-0.4 2,-0.4 -4,-0.3 -1,-0.3 0.759 106.3 118.3 53.3 35.1 26.6 44.4 0.3 28 38 A R < - 0 0 56 -3,-1.5 2,-0.7 -5,-0.4 -1,-0.2 -0.976 67.6-125.6-130.3 141.5 23.8 42.8 -1.7 29 39 A W + 0 0 0 42,-0.4 44,-0.4 -2,-0.4 2,-0.3 -0.791 55.8 140.6 -85.1 112.6 20.1 43.6 -1.7 30 40 A H > - 0 0 14 -2,-0.7 4,-2.0 42,-0.1 3,-0.2 -0.965 64.6-106.4-151.8 165.5 18.4 40.2 -1.0 31 41 A Y H > S+ 0 0 14 -2,-0.3 4,-3.0 2,-0.2 5,-0.3 0.693 108.4 71.0 -71.7 -18.4 15.6 38.5 0.9 32 42 A H H > S+ 0 0 39 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.979 111.7 30.5 -59.8 -54.6 17.9 37.0 3.5 33 43 A Q H > S+ 0 0 0 -3,-0.2 4,-3.2 1,-0.2 5,-0.3 0.879 116.6 62.6 -70.2 -37.8 18.5 40.4 5.0 34 44 A G H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.924 107.9 39.8 -53.2 -49.7 15.1 41.5 3.9 35 45 A V H X S+ 0 0 0 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.888 115.1 51.9 -71.5 -37.7 13.3 39.0 6.1 36 46 A F H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.3 -2,-0.2 0.944 113.7 44.9 -62.4 -44.6 15.7 39.4 9.1 37 47 A L H X S+ 0 0 0 -4,-3.2 4,-2.7 2,-0.2 -1,-0.2 0.785 105.8 59.1 -71.2 -27.0 15.2 43.2 9.0 38 48 A C H X S+ 0 0 14 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.918 110.1 46.2 -64.5 -38.2 11.4 42.8 8.6 39 49 A G H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.920 111.2 50.0 -66.9 -45.0 11.8 41.0 11.9 40 50 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.894 112.8 47.1 -60.8 -40.8 14.0 43.6 13.4 41 51 A L H X S+ 0 0 5 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.836 110.0 52.5 -70.8 -32.3 11.6 46.4 12.4 42 52 A R H X S+ 0 0 56 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.866 109.9 50.2 -69.3 -34.9 8.7 44.4 13.8 43 53 A L H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 5,-0.4 0.861 106.9 54.2 -69.7 -36.6 10.7 44.1 17.0 44 54 A W H X S+ 0 0 42 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.900 107.3 50.6 -63.6 -41.8 11.2 47.9 16.9 45 55 A E H < S+ 0 0 123 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.908 116.0 43.1 -61.5 -41.5 7.5 48.4 16.7 46 56 A A H < S+ 0 0 55 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.888 127.5 26.3 -72.8 -43.3 7.0 46.1 19.7 47 57 A T H < S- 0 0 43 -4,-3.2 -3,-0.2 2,-0.1 -2,-0.2 0.697 87.9-137.7 -96.1 -23.1 9.8 47.4 21.9 48 58 A G < + 0 0 56 -4,-2.7 2,-0.7 -5,-0.4 -4,-0.1 0.597 49.5 151.5 74.9 9.4 10.2 51.0 20.8 49 59 A E >> - 0 0 64 -6,-0.3 3,-1.4 1,-0.1 4,-0.8 -0.667 40.2-150.3 -82.8 114.9 14.0 50.6 20.9 50 60 A K H 3> S+ 0 0 141 -2,-0.7 4,-2.8 1,-0.3 5,-0.2 0.751 86.6 70.6 -52.3 -35.5 15.7 52.8 18.4 51 61 A R H 3> S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.843 97.1 53.4 -57.4 -32.1 18.8 50.7 17.8 52 62 A Y H <> S+ 0 0 0 -3,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.947 111.6 44.1 -66.9 -47.2 16.6 48.1 15.9 53 63 A F H X S+ 0 0 15 -4,-0.8 4,-2.8 1,-0.2 5,-0.2 0.946 113.1 52.1 -60.5 -49.6 15.2 50.8 13.6 54 64 A E H X S+ 0 0 88 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.868 107.5 51.3 -55.9 -42.5 18.6 52.4 13.1 55 65 A Y H X S+ 0 0 28 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.953 112.2 45.8 -62.0 -50.5 20.3 49.0 12.1 56 66 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.923 113.7 49.8 -58.1 -45.5 17.6 48.3 9.5 57 67 A K H X S+ 0 0 52 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.883 106.2 56.7 -61.8 -38.8 17.8 51.9 8.2 58 68 A A H X S+ 0 0 40 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.866 107.5 47.9 -61.7 -38.0 21.6 51.6 7.9 59 69 A Y H >X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 3,-0.5 0.942 112.7 48.6 -67.5 -46.8 21.3 48.5 5.7 60 70 A A H 3X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 3,-0.3 0.927 112.2 48.7 -57.8 -45.3 18.8 50.3 3.5 61 71 A D H 3< S+ 0 0 54 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.684 104.1 60.6 -71.0 -17.3 21.0 53.4 3.3 62 72 A L H << S+ 0 0 55 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.882 117.5 30.4 -74.0 -36.7 24.0 51.2 2.4 63 73 A L H < S+ 0 0 23 -4,-1.5 2,-0.5 -3,-0.3 8,-0.5 0.684 113.9 62.2 -95.5 -22.3 22.2 50.0 -0.7 64 74 A I B < S-A 70 0A 1 -4,-2.3 6,-0.2 -5,-0.2 -1,-0.1 -0.936 74.4-152.0-110.8 121.4 20.0 52.9 -1.7 65 75 A D > - 0 0 70 4,-1.7 3,-2.2 -2,-0.5 -2,-0.1 -0.063 38.6 -76.9 -83.6-174.2 21.8 56.2 -2.6 66 76 A D T 3 S+ 0 0 141 1,-0.3 31,-0.1 2,-0.1 -1,-0.1 0.755 131.0 45.1 -52.8 -29.6 20.8 59.9 -2.3 67 77 A N T 3 S- 0 0 101 2,-0.1 -1,-0.3 30,-0.0 -2,-0.0 0.241 120.0-101.9-103.1 13.7 18.6 59.5 -5.4 68 78 A G < + 0 0 0 -3,-2.2 2,-0.2 1,-0.3 36,-0.2 0.595 68.9 154.9 79.5 10.0 16.8 56.3 -4.5 69 79 A N - 0 0 66 35,-0.0 -4,-1.7 32,-0.0 2,-0.3 -0.482 18.1-176.9 -74.0 142.5 19.0 54.3 -6.9 70 80 A L B -A 64 0A 9 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.1 -1.000 22.0-145.6-145.0 138.9 19.4 50.6 -6.1 71 81 A L + 0 0 147 -8,-0.5 -42,-0.4 -2,-0.3 2,-0.3 -0.891 39.4 140.5-103.2 134.2 21.4 47.6 -7.6 72 82 A F - 0 0 24 -2,-0.5 2,-1.3 -44,-0.1 -42,-0.1 -0.959 62.9 -71.5-161.2 171.7 19.7 44.2 -7.4 73 83 A R > - 0 0 128 -44,-0.4 3,-1.8 -2,-0.3 6,-0.3 -0.635 46.5-158.0 -77.0 99.1 19.1 41.0 -9.3 74 84 A R T 3 S+ 0 0 152 -2,-1.3 -1,-0.2 1,-0.3 37,-0.1 0.473 82.4 46.9 -59.9 -7.2 16.7 42.4 -12.0 75 85 A D T 3 S+ 0 0 38 37,-0.1 2,-0.4 4,-0.0 -1,-0.3 0.396 92.4 96.5-114.8 1.8 15.1 39.0 -12.9 76 86 A E X - 0 0 15 -3,-1.8 3,-0.9 47,-0.2 4,-0.4 -0.777 57.9-155.7-104.7 137.4 14.3 37.6 -9.4 77 87 A L G >> S+ 0 0 8 45,-1.8 3,-1.6 -2,-0.4 4,-0.9 0.847 100.4 71.1 -66.6 -30.4 11.2 37.7 -7.3 78 88 A D G 34 S+ 0 0 14 44,-0.4 4,-0.5 1,-0.3 -1,-0.2 0.796 89.1 60.2 -52.3 -32.9 13.8 37.2 -4.5 79 89 A A G <4 S+ 0 0 0 -3,-0.9 -1,-0.3 -6,-0.3 4,-0.2 0.743 98.2 58.2 -70.2 -24.9 14.9 40.8 -5.2 80 90 A I T X4 S+ 0 0 0 -3,-1.6 3,-1.8 -4,-0.4 4,-0.3 0.837 86.8 74.7 -76.3 -34.5 11.5 42.3 -4.3 81 91 A Q G >< S+ 0 0 0 -4,-0.9 3,-2.4 1,-0.3 4,-0.2 0.850 87.4 58.7 -49.2 -47.6 11.1 40.9 -0.8 82 92 A A G > S+ 0 0 0 -4,-0.5 3,-2.1 1,-0.3 4,-0.3 0.740 86.8 79.9 -58.6 -21.1 13.5 43.3 0.9 83 93 A G G X> S+ 0 0 0 -3,-1.8 3,-1.4 1,-0.3 4,-0.5 0.711 73.5 79.3 -58.5 -18.8 11.3 46.2 -0.4 84 94 A L G X4 S+ 0 0 22 -3,-2.4 3,-0.6 -4,-0.3 -1,-0.3 0.793 85.2 58.6 -60.7 -27.5 9.0 45.3 2.6 85 95 A I G <> S+ 0 0 0 -3,-2.1 4,-1.5 1,-0.2 -1,-0.3 0.695 91.2 72.5 -75.7 -16.6 11.4 47.3 4.9 86 96 A L H <> S+ 0 0 2 -3,-1.4 4,-2.1 -4,-0.3 -1,-0.2 0.793 88.9 59.6 -68.6 -28.6 10.9 50.4 2.8 87 97 A F H S+ 0 0 29 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.861 116.4 53.9 -67.6 -30.1 8.0 51.3 7.8 89 99 A L H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 6,-0.4 0.903 112.3 43.7 -67.3 -40.5 11.2 53.3 7.0 90 100 A Y H X S+ 0 0 37 -4,-2.1 4,-3.5 2,-0.2 -1,-0.2 0.926 110.2 54.7 -69.7 -45.4 9.3 55.7 4.8 91 101 A E H < S+ 0 0 131 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.842 115.2 41.0 -56.9 -34.7 6.4 56.1 7.3 92 102 A Q H < S+ 0 0 113 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.861 131.0 22.4 -83.3 -38.9 8.9 57.0 10.0 93 103 A T H < S- 0 0 50 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.715 81.3-143.5-101.6 -26.6 11.2 59.3 8.1 94 104 A K < + 0 0 109 -4,-3.5 2,-0.7 -5,-0.3 -4,-0.1 0.725 44.6 157.0 64.3 21.8 9.1 60.5 5.1 95 105 A D >> - 0 0 53 -6,-0.4 3,-1.6 1,-0.1 4,-0.5 -0.715 38.7-149.7 -81.9 112.1 12.3 60.3 3.1 96 106 A E H 3> S+ 0 0 87 -2,-0.7 4,-2.8 1,-0.3 3,-0.3 0.661 85.4 81.9 -57.6 -19.5 11.3 59.9 -0.5 97 107 A R H 3> S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.900 92.2 50.9 -53.2 -40.0 14.4 57.9 -1.4 98 108 A Y H <> S+ 0 0 0 -3,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.844 109.6 48.5 -67.8 -34.2 12.6 54.8 0.0 99 109 A V H X S+ 0 0 11 -4,-0.5 4,-2.1 -3,-0.3 -2,-0.2 0.892 111.1 51.6 -71.7 -39.3 9.5 55.4 -2.1 100 110 A K H X S+ 0 0 97 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.916 111.1 46.5 -62.9 -43.6 11.7 55.9 -5.2 101 111 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.886 110.2 54.8 -65.8 -37.4 13.5 52.6 -4.5 102 112 A A H X S+ 0 0 2 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.885 104.6 53.9 -62.4 -38.4 10.1 50.9 -3.9 103 113 A K H X S+ 0 0 106 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.834 103.5 56.0 -66.3 -32.5 8.9 52.1 -7.3 104 114 A R H < S+ 0 0 88 -4,-1.3 4,-0.3 2,-0.2 -1,-0.2 0.912 112.5 41.7 -65.4 -42.0 11.9 50.5 -8.9 105 115 A L H >< S+ 0 0 0 -4,-1.6 3,-1.4 1,-0.2 4,-0.5 0.899 112.2 53.8 -71.7 -41.2 11.0 47.1 -7.4 106 116 A R H >< S+ 0 0 24 -4,-2.7 3,-0.8 1,-0.3 4,-0.3 0.829 102.2 60.3 -62.0 -32.0 7.3 47.5 -8.1 107 117 A S G >< S+ 0 0 57 -4,-1.7 3,-0.6 1,-0.2 4,-0.4 0.650 87.0 77.5 -72.0 -13.4 8.2 48.2 -11.7 108 118 A L G X> S+ 0 0 8 -3,-1.4 3,-1.9 -4,-0.3 4,-1.3 0.846 77.1 71.1 -64.7 -35.6 9.7 44.7 -12.0 109 119 A Y G <4 S+ 0 0 3 -3,-0.8 3,-0.3 -4,-0.5 -1,-0.2 0.858 97.0 51.4 -51.3 -38.5 6.4 43.0 -12.3 110 120 A G G <4 S+ 0 0 71 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.657 111.2 48.3 -74.6 -14.3 5.9 44.3 -15.8 111 121 A T T <4 S+ 0 0 93 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.611 88.7 100.0 -99.5 -16.1 9.3 43.1 -16.9 112 122 A L S < S- 0 0 15 -4,-1.3 2,-0.1 -3,-0.3 -37,-0.1 -0.400 72.9-115.5 -77.6 150.0 9.3 39.5 -15.7 113 123 A N - 0 0 76 -38,-0.1 8,-2.3 -2,-0.1 2,-0.3 -0.429 36.0-158.8 -78.8 156.7 8.5 36.5 -17.8 114 124 A R B -B 120 0B 89 6,-0.2 6,-0.2 -2,-0.1 5,-0.0 -0.914 19.6-105.2-138.8 163.6 5.4 34.4 -17.1 115 125 A T > - 0 0 6 4,-2.9 3,-1.9 -2,-0.3 6,-0.1 -0.264 56.1 -88.6 -75.9 171.7 3.7 31.0 -17.6 116 126 A S T 3 S+ 0 0 96 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.766 129.6 46.4 -56.5 -28.5 0.9 30.8 -20.1 117 127 A E T 3 S- 0 0 69 2,-0.1 -1,-0.3 43,-0.0 47,-0.1 0.427 128.5 -92.1 -94.5 -0.6 -1.7 31.8 -17.5 118 128 A G S < S+ 0 0 13 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.499 72.5 148.0 107.1 3.0 0.3 34.7 -16.1 119 129 A G - 0 0 0 1,-0.1 -4,-2.9 41,-0.1 -1,-0.3 -0.557 50.9-112.4 -75.4 134.3 2.3 33.2 -13.3 120 130 A F B -B 114 0B 9 -2,-0.3 -6,-0.2 -6,-0.2 2,-0.2 -0.361 24.8-118.7 -65.9 139.9 5.7 34.8 -12.7 121 131 A W - 0 0 40 -8,-2.3 9,-0.2 1,-0.1 -44,-0.1 -0.538 23.3-125.7 -70.3 146.2 8.8 32.7 -13.5 122 132 A H S S- 0 0 5 7,-2.3 -45,-1.8 4,-0.6 -44,-0.4 0.907 85.8 -20.0 -62.3 -38.7 10.7 32.4 -10.2 123 133 A K > - 0 0 40 3,-0.4 3,-1.5 6,-0.2 6,-0.3 -0.946 69.1-101.5-156.7 166.7 13.8 33.8 -12.1 124 134 A D T 3 S+ 0 0 82 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.891 124.9 57.4 -61.6 -35.7 14.9 34.1 -15.7 125 135 A G T 3 S+ 0 0 59 1,-0.3 -1,-0.3 -4,-0.1 -49,-0.0 0.474 101.7 55.8 -73.4 -3.9 17.1 31.1 -14.9 126 136 A Y S X S- 0 0 58 -3,-1.5 3,-1.9 3,-0.1 -4,-0.6 -0.553 85.0-160.6-125.9 63.8 14.0 29.0 -13.8 127 137 A P T 3 S- 0 0 57 0, 0.0 57,-0.3 0, 0.0 3,-0.1 -0.192 70.7 -5.0 -53.0 128.5 11.9 29.2 -17.0 128 138 A Y T 3 S+ 0 0 93 1,-0.2 55,-2.5 55,-0.1 2,-0.5 0.634 101.8 131.3 62.0 19.5 8.2 28.5 -16.5 129 139 A Q E < -C 182 0C 3 -3,-1.9 -7,-2.3 -6,-0.3 2,-0.5 -0.890 39.7-166.8-109.2 128.1 8.7 27.5 -12.9 130 140 A M E -C 181 0C 2 51,-2.5 51,-2.1 -2,-0.5 2,-0.4 -0.951 8.7-166.5-110.0 124.5 6.6 28.8 -10.0 131 141 A W E > -C 180 0C 11 -2,-0.5 3,-1.8 49,-0.2 4,-0.3 -0.931 27.2-127.9-111.5 138.2 8.1 28.1 -6.5 132 142 A L T >> S+ 0 0 0 47,-2.7 3,-2.3 -2,-0.4 4,-0.6 0.843 106.7 68.0 -51.0 -38.3 6.0 28.5 -3.4 133 143 A D H >> S+ 0 0 5 1,-0.3 4,-1.9 46,-0.3 3,-1.0 0.834 87.7 69.1 -50.6 -36.2 8.7 30.8 -1.9 134 144 A G H <> S+ 0 0 4 -3,-1.8 4,-2.2 1,-0.3 5,-0.4 0.689 84.6 67.3 -58.6 -23.4 7.8 33.3 -4.6 135 145 A L H <> S+ 0 0 4 -3,-2.3 4,-2.1 -4,-0.3 -1,-0.3 0.917 109.1 37.5 -66.1 -40.0 4.4 34.1 -3.0 136 146 A Y H << S+ 0 0 4 -3,-1.0 5,-0.4 -4,-0.6 -2,-0.2 0.871 113.8 56.6 -77.4 -36.6 6.2 35.6 -0.0 137 147 A M H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.889 129.0 12.0 -62.3 -38.6 8.9 37.2 -2.1 138 148 A G H X S+ 0 0 7 -4,-2.2 4,-1.1 -5,-0.1 -2,-0.2 0.615 115.7 67.9-116.8 -13.5 6.5 39.1 -4.3 139 149 A G H X S+ 0 0 4 -4,-2.1 4,-1.6 -5,-0.4 3,-0.3 0.987 99.5 42.0 -73.6 -63.6 3.0 39.0 -2.8 140 150 A P H > S+ 0 0 11 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.886 113.5 54.9 -52.0 -42.8 3.1 41.1 0.4 141 151 A F H > S+ 0 0 1 -5,-0.4 4,-2.5 1,-0.2 5,-0.2 0.919 104.8 53.9 -58.1 -45.6 5.2 43.8 -1.2 142 152 A A H X S+ 0 0 0 -4,-1.1 4,-2.4 -3,-0.3 -1,-0.2 0.897 110.8 45.2 -56.6 -43.8 2.6 44.2 -4.0 143 153 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.889 110.9 52.0 -70.8 -39.2 -0.2 44.8 -1.5 144 154 A K H X S+ 0 0 84 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.935 114.3 44.8 -60.6 -44.2 1.7 47.2 0.7 145 155 A Y H X S+ 0 0 2 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.891 108.3 57.0 -66.0 -41.7 2.5 49.2 -2.5 146 156 A A H X>S+ 0 0 1 -4,-2.4 5,-1.3 1,-0.2 4,-0.7 0.899 111.2 43.6 -57.0 -41.8 -1.1 49.0 -3.7 147 157 A N H <5S+ 0 0 68 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.828 114.0 50.2 -74.5 -31.7 -2.2 50.6 -0.5 148 158 A L H <5S+ 0 0 56 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.928 127.2 23.3 -71.7 -44.3 0.5 53.2 -0.4 149 159 A K H <5S- 0 0 78 -4,-3.0 -2,-0.2 -5,-0.1 -1,-0.2 0.229 102.7-121.2-107.1 13.0 -0.1 54.3 -4.0 150 160 A Q T <5 + 0 0 145 -4,-0.7 2,-0.6 -5,-0.2 -3,-0.2 0.937 55.5 154.1 43.8 61.8 -3.7 53.2 -4.5 151 161 A E > < - 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