==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 08-AUG-08 3E3Z . COMPND 2 MOLECULE: ATP SYNTHASE SUBUNIT S, MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.M.STROUD,J.K.LEE,G.I.BELOGRUDOV . 176 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9442.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 125 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 4.5 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 . 15 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 1 1 1 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 4 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 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 . 0 0 0 0 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 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 0 A S > 0 0 108 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 163.9 5.1 -7.5 -11.9 2 1 A F H > + 0 0 119 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.906 360.0 49.9 -64.5 -44.0 2.7 -8.5 -9.2 3 2 A W H > S+ 0 0 188 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.876 109.9 52.3 -69.3 -32.0 5.4 -9.7 -6.8 4 3 A E H > S+ 0 0 139 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.920 111.4 45.9 -65.6 -44.6 7.3 -6.4 -7.4 5 4 A W H X S+ 0 0 141 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.924 110.6 54.4 -64.1 -40.8 4.2 -4.4 -6.6 6 5 A L H X S+ 0 0 39 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.927 109.0 46.9 -63.8 -43.7 3.5 -6.5 -3.5 7 6 A N H X S+ 0 0 20 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.895 112.0 51.8 -66.5 -36.7 7.0 -6.0 -2.1 8 7 A A H X S+ 0 0 55 -4,-1.9 4,-2.1 1,-0.2 3,-0.3 0.912 110.5 46.2 -66.5 -41.8 6.7 -2.3 -2.7 9 8 A V H < S+ 0 0 61 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.816 107.2 58.1 -75.2 -26.2 3.4 -2.0 -1.0 10 9 A F H < S+ 0 0 74 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.841 117.0 36.5 -63.0 -31.1 4.7 -4.1 2.0 11 10 A N H < S+ 0 0 2 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.710 88.7 111.3 -96.7 -28.6 7.4 -1.4 2.3 12 11 A K < - 0 0 126 -4,-2.1 2,-0.3 -5,-0.1 65,-0.1 -0.247 67.7-120.5 -61.3 135.1 5.6 1.8 1.5 13 12 A V - 0 0 15 63,-0.2 2,-0.7 1,-0.0 -1,-0.1 -0.568 14.1-153.5 -73.8 132.0 5.1 4.3 4.3 14 13 A D > - 0 0 90 -2,-0.3 4,-1.4 1,-0.1 3,-0.5 -0.933 6.9-169.1-104.6 104.4 1.6 5.3 5.2 15 14 A H H > S+ 0 0 132 -2,-0.7 4,-2.1 1,-0.3 -1,-0.1 0.740 84.0 62.6 -69.0 -22.6 2.0 8.7 6.7 16 15 A D H > S+ 0 0 90 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.918 104.0 49.5 -65.3 -40.2 -1.6 8.7 7.9 17 16 A R H > S+ 0 0 86 -3,-0.5 4,-2.5 2,-0.2 5,-0.5 0.875 107.9 52.1 -67.9 -37.3 -0.7 5.7 10.0 18 17 A I H X S+ 0 0 39 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.927 111.8 48.2 -65.4 -40.6 2.3 7.4 11.5 19 18 A R H < S+ 0 0 162 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.892 115.3 45.3 -62.9 -38.8 0.1 10.4 12.3 20 19 A D H < S+ 0 0 86 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.830 132.3 11.2 -81.2 -35.4 -2.5 8.1 13.9 21 20 A V H < S- 0 0 26 -4,-2.5 38,-0.4 1,-0.1 4,-0.4 0.439 106.0-107.8-128.0 -2.7 -0.4 5.7 16.1 22 21 A G X - 0 0 11 -4,-1.9 4,-2.3 -5,-0.5 5,-0.2 0.041 37.0 -74.9 89.8 160.9 3.1 7.3 16.1 23 22 A P H > S+ 0 0 33 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.880 123.8 53.6 -60.8 -41.4 6.4 6.2 14.4 24 23 A D H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -2,-0.1 0.923 113.5 42.1 -66.9 -42.9 7.3 3.3 16.7 25 24 A R H > S+ 0 0 53 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.930 115.5 49.1 -66.2 -45.9 4.0 1.6 16.2 26 25 A A H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.922 114.3 46.4 -59.9 -42.7 3.9 2.3 12.5 27 26 A A H X S+ 0 0 0 -4,-3.1 4,-2.7 53,-0.2 -1,-0.2 0.856 108.6 55.6 -68.6 -32.9 7.4 1.0 12.1 28 27 A S H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.3 5,-0.2 0.922 108.7 48.6 -63.3 -43.1 6.6 -2.1 14.2 29 28 A E H X S+ 0 0 8 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.912 111.8 48.9 -60.4 -47.0 3.7 -2.9 11.8 30 29 A W H X S+ 0 0 1 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.942 113.9 46.2 -56.3 -53.0 6.1 -2.4 8.8 31 30 A L H <>S+ 0 0 1 -4,-2.7 5,-2.7 1,-0.2 3,-0.3 0.963 115.8 43.3 -60.0 -51.8 8.8 -4.7 10.3 32 31 A L H ><5S+ 0 0 14 -4,-2.6 3,-1.6 1,-0.2 18,-0.2 0.904 111.4 53.1 -66.1 -39.5 6.5 -7.5 11.4 33 32 A R H 3<5S+ 0 0 74 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.854 110.1 51.7 -66.9 -24.2 4.4 -7.5 8.2 34 33 A C T 3<5S- 0 0 5 -4,-1.6 38,-2.3 -3,-0.3 39,-0.4 0.226 128.2 -96.3 -95.5 13.7 7.7 -7.8 6.3 35 34 A G T < 5S+ 0 0 39 -3,-1.6 34,-0.5 1,-0.3 -3,-0.2 0.722 85.6 119.2 83.4 20.9 8.9 -10.8 8.3 36 35 A A < - 0 0 2 -5,-2.7 2,-0.3 32,-0.2 -1,-0.3 -0.576 50.4-136.7-104.6 174.6 11.1 -9.0 10.9 37 36 A M E -A 67 0A 72 30,-2.2 30,-2.9 -2,-0.2 2,-0.3 -0.949 11.8-162.5-130.9 155.6 10.8 -8.7 14.7 38 37 A V E -AB 66 47A 0 9,-1.5 9,-3.5 -2,-0.3 2,-0.4 -0.942 6.7-153.4-135.4 155.4 11.2 -5.9 17.2 39 38 A R E -A 65 0A 28 26,-2.5 25,-2.9 -2,-0.3 26,-1.9 -0.999 19.1-135.6-130.8 129.5 11.8 -5.6 20.9 40 39 A Y E > -A 63 0A 2 5,-0.5 3,-2.2 -2,-0.4 23,-0.2 -0.547 29.4 -93.4 -82.2 148.2 10.6 -2.6 23.0 41 40 A H T 3 S+ 0 0 60 21,-3.1 21,-0.3 1,-0.3 -1,-0.1 -0.335 114.6 24.0 -47.3 128.5 12.5 -0.7 25.6 42 41 A G T 3 S+ 0 0 83 1,-0.2 2,-0.4 19,-0.1 -1,-0.3 0.335 103.4 103.8 95.0 -6.9 11.7 -2.2 29.0 43 42 A Q < - 0 0 60 -3,-2.2 -1,-0.2 1,-0.1 0, 0.0 -0.922 50.3-166.4-116.4 137.2 10.7 -5.6 27.6 44 43 A Q S S+ 0 0 181 -2,-0.4 2,-0.2 -3,-0.1 -1,-0.1 0.830 74.4 74.1 -77.7 -39.0 12.6 -8.9 27.6 45 44 A R S S- 0 0 206 1,-0.1 -5,-0.5 -6,-0.0 2,-0.3 -0.486 77.0-128.1 -86.3 149.3 10.3 -10.5 25.0 46 45 A W - 0 0 89 -2,-0.2 2,-0.6 -7,-0.1 -7,-0.2 -0.653 13.9-122.4 -94.2 149.8 10.2 -9.8 21.3 47 46 A Q B +B 38 0A 24 -9,-3.5 -9,-1.5 -2,-0.3 3,-0.1 -0.815 46.9 149.4 -87.2 118.6 7.3 -9.0 19.1 48 47 A K + 0 0 120 -2,-0.6 2,-0.5 1,-0.2 -1,-0.2 0.636 50.5 63.0-126.3 -20.4 7.1 -11.6 16.4 49 48 A D > - 0 0 91 1,-0.1 3,-2.4 -14,-0.0 4,-0.3 -0.939 69.8-143.8-115.2 120.1 3.5 -12.1 15.3 50 49 A Y G > S+ 0 0 97 -2,-0.5 3,-1.5 1,-0.3 -1,-0.1 0.847 98.9 56.7 -46.0 -43.2 1.8 -9.1 13.7 51 50 A N G 3 S+ 0 0 147 1,-0.3 -1,-0.3 -3,-0.1 0, 0.0 0.587 101.5 58.3 -75.0 -6.4 -1.5 -9.8 15.3 52 51 A H G < S+ 0 0 143 -3,-2.4 -1,-0.3 2,-0.0 -2,-0.2 0.310 71.8 128.5-109.9 9.2 -0.0 -9.8 18.8 53 52 A L S < S- 0 0 10 -3,-1.5 3,-0.1 -4,-0.3 -28,-0.0 -0.316 72.4 -91.1 -58.3 144.7 1.3 -6.3 18.7 54 53 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 7,-0.0 -0.275 24.3-159.6 -65.3 146.9 0.2 -4.3 21.8 55 54 A T + 0 0 145 -3,-0.1 -2,-0.0 3,-0.0 -3,-0.0 0.889 57.1 129.5 -84.7 -51.9 -3.0 -2.3 21.5 56 55 A G - 0 0 42 2,-0.1 2,-0.2 -3,-0.1 3,-0.1 0.616 60.7 -26.8 52.5 179.3 -1.7 -0.4 24.5 57 56 A P S > S- 0 0 75 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.555 82.0 -87.1 -70.5 140.3 -1.2 3.2 25.4 58 57 A L T 3 S- 0 0 141 1,-0.3 -36,-0.1 -2,-0.2 -2,-0.1 -0.289 102.8 -17.1 -53.3 112.0 -0.7 5.6 22.4 59 58 A D T 3 S+ 0 0 62 -38,-0.4 -1,-0.3 -2,-0.2 -35,-0.1 0.712 97.3 125.9 66.1 25.3 3.0 5.7 21.5 60 59 A K < + 0 0 119 -3,-1.9 2,-0.4 2,-0.0 -2,-0.1 0.894 52.3 75.8 -78.0 -41.5 4.2 4.2 24.8 61 60 A Y - 0 0 63 -4,-0.5 2,-0.4 -21,-0.1 -19,-0.1 -0.601 65.4-165.7 -81.3 126.7 6.2 1.4 23.3 62 61 A K - 0 0 46 -2,-0.4 -21,-3.1 -21,-0.3 2,-0.2 -0.952 22.9-117.5-119.2 127.8 9.6 2.3 21.8 63 62 A I E +A 40 0A 0 -2,-0.4 23,-0.3 -23,-0.2 -23,-0.3 -0.423 37.1 164.9 -68.5 125.0 11.7 0.1 19.6 64 63 A Q E + 0 0 35 -25,-2.9 24,-2.7 1,-0.3 25,-1.7 0.703 66.6 22.7-102.0 -38.5 15.1 -0.7 21.2 65 64 A A E -Ac 39 89A 2 -26,-1.9 -26,-2.5 23,-0.2 2,-0.4 -0.984 59.1-163.0-139.1 143.9 16.1 -3.6 18.9 66 65 A I E -Ac 38 90A 7 23,-2.1 25,-2.2 -2,-0.3 2,-0.4 -0.989 2.8-173.3-126.9 135.3 15.2 -4.9 15.5 67 66 A D E -Ac 37 91A 44 -30,-2.9 -30,-2.2 -2,-0.4 2,-0.9 -0.899 5.3-179.8-131.6 99.8 15.9 -8.4 14.1 68 67 A A E + c 0 92A 0 23,-2.9 25,-3.1 -2,-0.4 2,-0.5 -0.867 14.4 162.0-102.8 94.8 15.1 -8.7 10.4 69 68 A T E S- c 0 93A 41 -2,-0.9 25,-0.2 -34,-0.5 3,-0.1 -0.971 70.8 -2.1-118.0 129.0 15.8 -12.2 9.4 70 69 A D S S+ 0 0 94 23,-2.2 2,-0.3 -2,-0.5 -1,-0.2 0.944 102.0 152.1 57.0 47.5 14.4 -13.7 6.2 71 70 A S - 0 0 6 22,-0.4 26,-0.5 23,-0.3 25,-0.4 -0.789 54.0-141.7-115.5 150.4 12.6 -10.4 5.7 72 71 A C + 0 0 27 -38,-2.3 -37,-0.1 -2,-0.3 -61,-0.1 0.207 53.4 136.1 -97.3 17.4 11.4 -8.4 2.7 73 72 A I + 0 0 0 -39,-0.4 2,-0.3 -42,-0.1 24,-0.3 -0.302 26.5 154.5 -62.5 142.0 12.3 -5.0 4.0 74 73 A M > - 0 0 37 -67,-0.1 3,-2.5 24,-0.1 4,-0.2 -0.962 43.2 -34.3-166.2 155.4 14.0 -2.7 1.5 75 74 A S G > S+ 0 0 44 -2,-0.3 3,-2.2 1,-0.3 4,-0.2 0.046 123.4 21.4 42.2-116.3 14.7 0.8 0.3 76 75 A I G > S+ 0 0 78 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.672 109.1 77.5 -67.0 -5.9 11.9 3.3 1.0 77 76 A G G X S+ 0 0 0 -3,-2.5 3,-2.0 1,-0.3 -1,-0.3 0.853 83.6 67.8 -62.4 -31.8 10.5 1.0 3.7 78 77 A F G X S+ 0 0 5 -3,-2.2 3,-2.0 1,-0.3 -1,-0.3 0.642 76.3 81.7 -68.4 -9.4 13.4 2.4 5.9 79 78 A D G X S+ 0 0 59 -3,-1.5 3,-1.4 1,-0.3 -1,-0.3 0.726 77.1 72.1 -65.6 -17.0 11.6 5.7 5.8 80 79 A H G < S+ 0 0 5 -3,-2.0 3,-0.5 1,-0.3 -1,-0.3 0.725 89.0 63.2 -66.4 -20.8 9.5 4.2 8.6 81 80 A M G X S+ 0 0 2 -3,-2.0 3,-1.4 1,-0.2 -1,-0.3 0.545 75.8 93.6 -79.9 -9.7 12.7 4.6 10.7 82 81 A E T < S+ 0 0 118 -3,-1.4 29,-0.2 1,-0.3 -1,-0.2 0.836 88.1 39.1 -58.2 -38.6 12.7 8.4 10.4 83 82 A G T 3 S+ 0 0 17 -3,-0.5 2,-0.4 -4,-0.3 -1,-0.3 0.352 85.8 115.1 -96.4 5.8 10.8 9.2 13.6 84 83 A L < + 0 0 0 -3,-1.4 3,-0.1 -61,-0.1 -22,-0.0 -0.659 35.9 177.9 -84.6 128.0 12.3 6.5 15.9 85 84 A Q + 0 0 96 -2,-0.4 -1,-0.1 1,-0.1 -23,-0.0 0.581 69.7 43.6-102.7 -17.3 14.4 8.0 18.7 86 85 A Y + 0 0 113 -23,-0.3 2,-0.5 29,-0.0 -1,-0.1 0.178 65.2 136.5-125.4 16.2 15.6 5.0 20.7 87 86 A V + 0 0 0 1,-0.2 -23,-0.2 24,-0.1 -22,-0.2 -0.548 13.7 160.4 -76.0 120.7 16.8 2.2 18.4 88 87 A E + 0 0 56 -24,-2.7 30,-2.6 -2,-0.5 29,-2.4 0.633 58.0 40.6-110.9 -25.6 20.1 0.8 19.7 89 88 A K E +cd 65 118A 85 -25,-1.7 -23,-2.1 28,-0.2 2,-0.4 -0.993 54.4 175.9-136.6 131.0 20.4 -2.6 17.9 90 89 A I E -cd 66 119A 5 28,-2.0 30,-2.4 -2,-0.4 2,-0.5 -0.992 6.2-171.8-136.8 126.2 19.7 -3.8 14.4 91 90 A R E -cd 67 120A 75 -25,-2.2 -23,-2.9 -2,-0.4 2,-0.5 -0.983 1.0-172.4-111.4 128.8 20.3 -7.2 12.8 92 91 A L E +cd 68 121A 0 28,-3.2 30,-3.1 -2,-0.5 2,-0.4 -0.982 18.2 164.9-116.7 113.4 19.8 -7.7 9.1 93 92 A C E -cd 69 122A 12 -25,-3.1 -23,-2.2 -2,-0.5 -22,-0.4 -0.988 63.4 -7.6-137.8 124.8 20.1 -11.3 8.2 94 93 A K S S+ 0 0 82 28,-2.5 2,-0.8 -2,-0.4 -23,-0.3 0.935 78.3 156.2 53.0 46.2 19.1 -13.1 5.0 95 94 A C > - 0 0 0 27,-0.3 3,-0.9 -25,-0.2 -1,-0.2 -0.856 19.1-176.5 -99.8 93.7 17.5 -9.9 3.8 96 95 A H T 3 S+ 0 0 116 -2,-0.8 -1,-0.1 -25,-0.4 -24,-0.1 0.650 75.2 51.2 -77.5 -14.5 17.6 -10.6 0.1 97 96 A Y T 3 S+ 0 0 117 -26,-0.5 -1,-0.3 -24,-0.3 -22,-0.2 0.594 82.6 108.5 -98.2 -10.2 16.2 -7.3 -1.0 98 97 A I < + 0 0 0 -3,-0.9 28,-0.4 -24,-0.1 2,-0.3 -0.367 45.2 178.0 -70.2 140.8 18.5 -5.0 1.0 99 98 A E >> - 0 0 98 27,-0.1 4,-1.7 26,-0.1 3,-0.7 -0.818 48.4 -89.6-131.7 174.2 21.1 -3.0 -1.0 100 99 A D H 3> S+ 0 0 17 26,-0.3 4,-2.7 -2,-0.3 5,-0.2 0.884 125.2 60.1 -51.2 -38.5 23.8 -0.5 -0.5 101 100 A G H 3> S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.861 101.4 53.6 -64.7 -30.8 21.2 2.2 -1.0 102 101 A C H <> S+ 0 0 2 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.931 110.3 46.1 -65.5 -45.7 19.2 0.8 1.9 103 102 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.892 112.2 51.9 -68.1 -36.6 22.2 1.1 4.2 104 103 A E H X S+ 0 0 65 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.955 109.1 49.5 -59.6 -48.7 22.9 4.6 2.9 105 104 A R H >< S+ 0 0 94 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.921 113.8 46.5 -58.0 -44.3 19.4 5.7 3.6 106 105 A L H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.932 107.5 56.5 -62.1 -45.1 19.7 4.2 7.2 107 106 A S H 3< S+ 0 0 2 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.707 102.9 56.5 -64.5 -22.9 23.0 5.8 7.8 108 107 A Q T << S+ 0 0 115 -4,-1.1 2,-0.8 -3,-0.6 -1,-0.3 0.349 76.1 106.1 -92.3 -0.2 21.6 9.3 7.0 109 108 A L X> - 0 0 21 -3,-1.9 4,-2.1 -4,-0.2 3,-0.7 -0.770 57.9-158.8 -85.4 111.6 18.9 9.2 9.6 110 109 A E H 3> S+ 0 0 128 -2,-0.8 4,-1.6 1,-0.3 -1,-0.2 0.819 89.6 60.1 -61.4 -35.1 20.2 11.6 12.3 111 110 A N H 3> S+ 0 0 12 -29,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.863 109.0 43.1 -62.4 -34.3 17.9 10.0 14.9 112 111 A L H <> S+ 0 0 0 -3,-0.7 4,-2.6 -6,-0.2 -2,-0.2 0.827 107.6 58.9 -79.3 -34.3 19.6 6.6 14.3 113 112 A Q H < S+ 0 0 18 -4,-2.1 27,-0.7 1,-0.2 -2,-0.2 0.869 107.5 48.8 -59.4 -36.9 23.0 8.2 14.3 114 113 A K H < S+ 0 0 121 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.836 123.5 28.5 -71.1 -32.7 22.3 9.4 17.8 115 114 A S H < S+ 0 0 17 -4,-1.0 -2,-0.2 -5,-0.1 -3,-0.1 0.716 84.5 112.3-104.1 -27.5 21.1 6.1 19.2 116 115 A M < + 0 0 0 -4,-2.6 24,-0.2 1,-0.2 -28,-0.2 -0.332 21.8 156.0 -68.8 128.9 22.7 3.2 17.4 117 116 A L + 0 0 69 -29,-2.4 25,-3.1 1,-0.3 26,-1.8 0.620 62.7 29.5-116.5 -32.6 25.1 1.0 19.4 118 117 A E E +de 89 143A 53 -30,-2.6 -28,-2.0 24,-0.2 2,-0.4 -0.993 56.4 177.4-141.5 134.1 25.1 -2.4 17.7 119 118 A M E -de 90 144A 0 24,-2.3 26,-2.4 -2,-0.4 2,-0.4 -0.995 5.7-171.7-138.2 141.2 24.6 -3.6 14.1 120 119 A E E -de 91 145A 26 -30,-2.4 -28,-3.2 -2,-0.4 2,-0.5 -0.998 2.0-176.2-131.0 132.2 24.8 -7.0 12.5 121 120 A I E +de 92 146A 0 24,-2.8 26,-2.3 -2,-0.4 2,-0.4 -0.966 15.9 169.0-132.3 113.2 24.6 -7.7 8.7 122 121 A I E -de 93 147A 17 -30,-3.1 -28,-2.5 -2,-0.5 -27,-0.3 -0.984 58.4 -10.3-133.4 123.8 24.6 -11.4 7.8 123 122 A S S S+ 0 0 27 24,-2.9 2,-0.7 -2,-0.4 26,-0.2 0.902 75.4 145.5 57.8 40.7 24.0 -13.2 4.5 124 123 A C > - 0 0 0 23,-0.3 3,-1.2 24,-0.2 27,-0.3 -0.920 33.2-163.6-106.5 98.1 22.7 -10.1 2.7 125 124 A G T 3 S+ 0 0 43 -2,-0.7 26,-0.2 1,-0.3 -1,-0.1 0.691 77.7 53.8 -68.7 -23.2 24.0 -10.9 -0.8 126 125 A N T 3 S+ 0 0 80 -28,-0.4 -26,-0.3 24,-0.1 -1,-0.3 0.695 81.4 110.7 -80.3 -19.2 23.7 -7.5 -2.5 127 126 A V < - 0 0 0 -3,-1.2 24,-0.4 -28,-0.1 2,-0.2 -0.352 45.7-178.7 -68.4 133.7 25.6 -5.6 0.2 128 127 A T >> - 0 0 47 24,-0.1 4,-2.0 -2,-0.1 3,-0.6 -0.643 47.1 -85.9-119.5 178.8 29.0 -4.2 -0.9 129 128 A D H 3> S+ 0 0 24 22,-0.9 4,-2.6 1,-0.2 5,-0.2 0.819 123.9 60.6 -49.2 -34.3 31.9 -2.3 0.6 130 129 A K H 3> S+ 0 0 116 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.903 105.5 45.6 -66.8 -40.6 30.1 0.9 -0.3 131 130 A G H <4 S+ 0 0 0 -3,-0.6 4,-0.4 2,-0.2 -1,-0.2 0.902 112.9 49.7 -72.8 -36.5 27.1 0.1 1.9 132 131 A I H >< S+ 0 0 0 -4,-2.0 3,-2.0 1,-0.2 4,-0.2 0.948 107.2 54.8 -65.8 -48.1 29.3 -1.0 4.8 133 132 A I H >< S+ 0 0 57 -4,-2.6 3,-2.1 1,-0.3 -1,-0.2 0.861 96.5 66.6 -55.2 -32.7 31.4 2.2 4.7 134 133 A A G >< S+ 0 0 11 -4,-1.4 3,-1.6 1,-0.3 -1,-0.3 0.752 84.9 73.3 -60.6 -22.2 28.2 4.3 4.9 135 134 A L G X + 0 0 0 -3,-2.0 3,-2.4 -4,-0.4 -1,-0.3 0.618 69.1 89.0 -74.4 -9.6 27.7 3.0 8.5 136 135 A H G < S+ 0 0 68 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.734 74.5 71.4 -59.7 -19.5 30.6 5.2 9.7 137 136 A H G < S+ 0 0 64 -3,-1.6 2,-2.0 1,-0.2 -1,-0.3 0.676 72.3 87.7 -71.6 -15.3 27.9 7.8 10.2 138 137 A F X + 0 0 0 -3,-2.4 3,-2.0 1,-0.2 -1,-0.2 -0.569 64.4 178.4 -80.3 80.6 26.6 5.8 13.1 139 138 A R T 3 S+ 0 0 126 -2,-2.0 -1,-0.2 1,-0.3 -25,-0.1 0.645 70.6 50.7 -68.6 -18.5 29.1 7.6 15.3 140 139 A N T 3 S+ 0 0 66 -27,-0.7 -1,-0.3 -24,-0.2 -2,-0.1 0.327 77.0 135.7 -99.8 5.8 28.1 5.9 18.6 141 140 A L < + 0 0 0 -3,-2.0 -23,-0.2 -6,-0.2 -24,-0.2 -0.367 25.1 174.5 -64.4 131.4 28.4 2.4 17.2 142 141 A K + 0 0 104 -25,-3.1 28,-2.5 1,-0.3 2,-0.4 0.589 66.3 31.6-106.0 -25.8 30.2 0.0 19.6 143 142 A Y E +ef 118 170A 46 -26,-1.8 -24,-2.3 26,-0.2 2,-0.4 -0.982 55.1 176.4-143.7 133.1 29.8 -3.3 17.8 144 143 A L E -ef 119 171A 0 26,-2.5 28,-2.9 -2,-0.4 2,-0.5 -0.986 7.4-170.8-138.1 122.2 29.5 -4.2 14.2 145 144 A F E -ef 120 172A 22 -26,-2.4 -24,-2.8 -2,-0.4 2,-0.4 -0.962 3.5-175.9-116.3 121.4 29.3 -7.8 13.0 146 145 A L E +ef 121 173A 0 26,-2.6 28,-3.1 -2,-0.5 2,-0.4 -0.981 10.1 169.3-121.3 128.1 29.6 -8.7 9.2 147 146 A S E -ef 122 174A 20 -26,-2.3 -24,-2.9 -2,-0.4 -23,-0.3 -0.992 55.7 -4.2-142.3 134.1 29.1 -12.2 8.0 148 147 A D S S+ 0 0 72 26,-2.3 -24,-0.2 -2,-0.4 27,-0.1 0.941 71.7 151.6 53.0 57.0 28.7 -13.9 4.6 149 148 A L > - 0 0 5 -26,-0.2 3,-2.2 25,-0.2 -1,-0.2 -0.821 20.9-178.0-116.4 84.9 28.6 -10.8 2.5 150 149 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -25,-0.1 0.747 78.7 62.7 -65.7 -18.8 30.0 -11.9 -0.8 151 150 A G T 3 S+ 0 0 17 -24,-0.4 2,-1.0 -27,-0.3 -22,-0.9 0.528 80.4 90.4 -77.1 -13.4 29.7 -8.4 -2.2 152 151 A V < + 0 0 13 -3,-2.2 3,-0.3 -24,-0.3 -3,-0.1 -0.815 48.7 162.1 -89.9 101.8 32.2 -7.1 0.4 153 152 A K + 0 0 162 -2,-1.0 -1,-0.2 1,-0.2 3,-0.1 0.532 61.6 50.8-100.4 -14.8 35.5 -7.5 -1.5 154 153 A E >> + 0 0 86 1,-0.1 4,-1.3 2,-0.1 3,-0.8 -0.446 56.7 155.5-130.0 58.3 37.9 -5.3 0.4 155 154 A K H 3> S+ 0 0 62 -3,-0.3 4,-2.6 1,-0.3 5,-0.2 0.813 71.9 58.5 -58.7 -33.3 37.6 -6.2 4.1 156 155 A E H 3> S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.895 105.8 49.6 -67.7 -33.9 41.0 -5.0 5.0 157 156 A K H <> S+ 0 0 133 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.787 108.9 53.1 -75.7 -25.2 40.2 -1.5 3.8 158 157 A I H X S+ 0 0 2 -4,-1.3 4,-2.7 2,-0.2 5,-0.3 0.937 106.9 52.1 -72.2 -44.5 37.0 -1.6 5.8 159 158 A V H X S+ 0 0 41 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.914 114.4 42.8 -56.4 -42.6 38.9 -2.6 8.9 160 159 A Q H X S+ 0 0 101 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.844 110.6 55.9 -75.7 -32.0 41.2 0.4 8.3 161 160 A A H X S+ 0 0 31 -4,-1.9 4,-2.2 1,-0.2 3,-0.4 0.936 112.4 41.6 -63.8 -46.3 38.3 2.7 7.4 162 161 A F H X S+ 0 0 4 -4,-2.7 4,-2.8 1,-0.2 7,-0.3 0.802 103.8 68.9 -74.0 -26.6 36.6 2.0 10.7 163 162 A K H < S+ 0 0 121 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.875 113.4 28.6 -60.5 -35.3 39.9 2.2 12.6 164 163 A T H < S+ 0 0 115 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.909 127.0 42.2 -91.3 -43.9 40.1 5.9 12.0 165 164 A S H < S+ 0 0 49 -4,-2.2 -3,-0.2 1,-0.3 -2,-0.2 0.768 133.0 18.9 -79.1 -31.3 36.4 6.8 11.7 166 165 A L S >< S+ 0 0 11 -4,-2.8 3,-2.2 -5,-0.2 -1,-0.3 -0.576 70.2 171.0-137.4 71.0 35.2 4.7 14.7 167 166 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.715 78.5 50.8 -60.9 -21.4 38.3 3.9 16.8 168 167 A S T 3 S+ 0 0 71 -27,-0.1 2,-0.3 -6,-0.1 -5,-0.1 0.400 84.1 122.2 -96.5 2.4 36.3 2.4 19.6 169 168 A L < - 0 0 24 -3,-2.2 2,-0.8 -7,-0.3 -26,-0.2 -0.474 57.7-142.9 -71.6 129.7 34.3 0.1 17.4 170 169 A E E -f 143 0A 123 -28,-2.5 -26,-2.5 -2,-0.3 2,-0.6 -0.855 24.5-165.7 -86.8 108.4 34.5 -3.6 18.0 171 170 A L E -f 144 0A 44 -2,-0.8 2,-0.6 -28,-0.2 -26,-0.2 -0.892 8.9-171.0-106.0 115.7 34.4 -5.1 14.5 172 171 A K E -f 145 0A 92 -28,-2.9 -26,-2.6 -2,-0.6 2,-0.5 -0.925 7.4-168.7-110.0 122.3 33.7 -8.8 14.1 173 172 A L E +f 146 0A 47 -2,-0.6 2,-0.3 -28,-0.2 -26,-0.2 -0.948 24.5 170.1-120.2 121.0 34.3 -10.1 10.6 174 173 A D E +f 147 0A 86 -28,-3.1 -26,-2.3 -2,-0.5 2,-0.4 -0.660 42.1 138.6-117.8 71.4 33.2 -13.5 9.3 175 174 A L 0 0 17 -2,-0.3 -2,-0.1 -28,-0.2 -28,-0.0 -0.929 360.0 360.0-126.3 135.7 34.0 -12.7 5.6 176 175 A K 0 0 228 -2,-0.4 -1,-0.1 -24,-0.0 -23,-0.1 0.746 360.0 360.0 -64.8 360.0 35.6 -14.7 2.9