==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 14-DEC-05 2FDR . COMPND 2 MOLECULE: CONSERVED HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; . AUTHOR B.NOCEK,X.XU,H.ZHENG,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDW . 222 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10294.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 1 0.5 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 . 8 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 38.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.7 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 0 1 3 1 2 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 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 PARALLEL 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 G 0 0 60 0, 0.0 2,-0.4 0, 0.0 217,-0.0 0.000 360.0 360.0 360.0 14.3 22.6 26.7 -13.2 2 4 A F - 0 0 14 1,-0.1 159,-0.2 159,-0.0 3,-0.1 -0.975 360.0-178.1-117.2 132.4 21.7 25.9 -9.6 3 5 A D S S+ 0 0 73 157,-2.6 2,-0.3 -2,-0.4 158,-0.2 0.431 74.8 31.5-103.0 -3.7 18.1 25.4 -8.4 4 6 A L E -a 161 0A 0 156,-1.3 158,-2.3 95,-0.1 2,-0.5 -0.969 57.6-157.3-154.5 139.2 19.0 24.9 -4.8 5 7 A I E -ab 162 101A 1 95,-2.1 97,-1.8 -2,-0.3 2,-0.5 -0.984 16.4-159.9-112.0 121.3 21.7 26.1 -2.3 6 8 A I E -ab 163 102A 0 156,-2.7 158,-2.9 -2,-0.5 2,-0.4 -0.892 8.7-166.0 -99.7 125.3 22.1 23.7 0.7 7 9 A F E -ab 164 103A 2 95,-3.2 97,-2.0 -2,-0.5 2,-0.2 -0.870 15.7-140.4-106.3 142.1 23.8 25.2 3.8 8 10 A D - 0 0 10 156,-1.8 5,-0.3 -2,-0.4 97,-0.2 -0.559 16.6-145.4 -77.3 162.1 25.2 23.5 6.8 9 11 A C S >>>S+ 0 0 0 -2,-0.2 4,-2.1 3,-0.2 5,-2.0 0.903 73.1 71.6 -93.5 -64.6 24.4 25.3 10.0 10 12 A D B 345S-f 14 0B 13 1,-0.3 156,-0.3 2,-0.2 5,-0.2 -0.349 118.3 -0.6 -60.6 118.6 27.4 24.9 12.3 11 13 A G T 345S+ 0 0 0 3,-2.3 176,-0.4 -2,-0.2 -1,-0.3 0.429 133.5 58.0 84.8 0.1 30.4 26.8 11.2 12 14 A V T <45S+ 0 0 0 -3,-1.9 -2,-0.2 2,-0.3 -3,-0.2 0.658 120.5 12.6-122.9 -58.8 28.6 28.2 8.1 13 15 A L T <5S+ 0 0 0 -4,-2.1 74,-2.6 -5,-0.3 2,-0.3 0.815 134.2 33.2 -89.4 -39.4 25.5 30.1 9.2 14 16 A V B + 0 0 3 -2,-1.7 4,-1.7 -7,-0.2 -1,-0.2 0.687 55.3 66.2 -93.0 -21.1 29.0 27.5 16.8 17 19 A E H > S+ 0 0 67 -3,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.807 94.1 59.1 -77.5 -28.4 32.2 25.5 16.2 18 20 A I H > S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.845 106.1 51.4 -61.6 -32.3 34.4 28.1 18.0 19 21 A I H > S+ 0 0 9 -4,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.920 110.7 45.7 -74.4 -43.4 32.2 27.4 21.1 20 22 A A H X S+ 0 0 10 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.949 112.9 51.7 -60.3 -47.9 32.7 23.7 20.8 21 23 A A H X S+ 0 0 11 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.885 111.2 48.4 -53.7 -42.9 36.5 24.3 20.3 22 24 A Q H X S+ 0 0 71 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.904 113.5 45.2 -64.2 -45.1 36.6 26.5 23.4 23 25 A V H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.950 117.7 44.1 -64.4 -48.4 34.7 24.0 25.6 24 26 A E H X S+ 0 0 31 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.896 111.5 50.4 -67.2 -45.0 36.8 21.0 24.4 25 27 A S H X S+ 0 0 7 -4,-2.5 4,-2.5 -5,-0.3 10,-0.4 0.853 113.0 48.6 -66.2 -33.0 40.3 22.7 24.5 26 28 A R H X S+ 0 0 151 -4,-1.5 4,-2.4 -5,-0.2 -1,-0.2 0.883 110.9 48.7 -72.0 -40.1 39.5 23.8 28.1 27 29 A L H X S+ 0 0 11 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.875 115.9 45.2 -64.3 -40.0 38.4 20.4 29.2 28 30 A L H <>S+ 0 0 0 -4,-2.6 5,-2.3 2,-0.2 4,-0.4 0.926 111.8 51.7 -64.4 -46.7 41.5 18.9 27.6 29 31 A T H ><5S+ 0 0 55 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.919 110.7 48.0 -59.1 -46.5 43.7 21.6 29.1 30 32 A E H 3<5S+ 0 0 122 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.806 105.4 58.7 -64.5 -32.9 42.4 21.0 32.6 31 33 A A T 3<5S- 0 0 33 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.489 133.2 -83.2 -77.6 -3.5 42.8 17.2 32.3 32 34 A G T < 5S+ 0 0 45 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.2 0.522 103.5 103.9 112.4 12.8 46.5 17.5 31.7 33 35 A Y < - 0 0 21 -5,-2.3 2,-0.2 -6,-0.1 -2,-0.2 -0.745 57.2-155.2-129.0 82.7 46.6 18.2 27.9 34 36 A P + 0 0 99 0, 0.0 2,-0.3 0, 0.0 -8,-0.1 -0.412 30.1 151.6 -63.2 122.1 47.3 21.9 27.2 35 37 A I - 0 0 8 -10,-0.4 -6,-0.2 -2,-0.2 2,-0.2 -0.980 36.0-134.8-155.4 137.4 45.9 22.9 23.9 36 38 A S > - 0 0 35 -2,-0.3 4,-1.4 1,-0.1 3,-0.3 -0.519 32.7-107.5 -89.9 163.5 44.6 26.2 22.5 37 39 A V H > S+ 0 0 37 1,-0.2 4,-1.0 2,-0.2 3,-0.2 0.892 119.3 60.1 -55.7 -38.6 41.4 26.5 20.4 38 40 A E H >> S+ 0 0 121 1,-0.2 4,-1.3 2,-0.2 3,-0.6 0.900 104.1 47.4 -57.1 -44.6 43.6 27.1 17.3 39 41 A E H 3> S+ 0 0 73 -3,-0.3 4,-3.4 1,-0.2 5,-0.4 0.773 96.8 71.7 -71.9 -29.1 45.3 23.7 17.6 40 42 A X H 3X S+ 0 0 9 -4,-1.4 4,-2.4 -3,-0.2 -1,-0.2 0.896 103.0 45.1 -44.8 -46.3 42.0 21.9 18.2 41 43 A G H < S+ 0 0 5 -4,-2.4 3,-0.8 -5,-0.4 -3,-0.2 0.239 72.5 154.2-127.9 13.4 41.4 17.2 15.7 45 47 A A T 3< S+ 0 0 34 -4,-1.4 2,-0.8 1,-0.2 3,-0.1 -0.139 75.8 5.1 -53.3 135.8 39.2 18.7 12.9 46 48 A G T 3 S+ 0 0 41 1,-0.2 -1,-0.2 122,-0.0 -5,-0.0 -0.237 99.3 122.7 90.1 -44.1 36.1 16.7 12.0 47 49 A X < - 0 0 63 -3,-0.8 -1,-0.2 -2,-0.8 2,-0.1 -0.113 65.3-113.5 -58.0 141.9 36.7 14.2 14.8 48 50 A T > - 0 0 77 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.329 26.5-110.5 -66.7 156.9 34.0 13.6 17.4 49 51 A W H > S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.886 120.1 55.1 -54.1 -39.5 34.6 14.5 21.0 50 52 A K H > S+ 0 0 121 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.911 110.1 42.6 -61.5 -49.0 34.7 10.7 21.8 51 53 A N H > S+ 0 0 78 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.804 109.6 58.0 -69.8 -33.0 37.4 9.9 19.2 52 54 A I H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.923 107.6 47.8 -58.5 -47.0 39.5 13.0 20.2 53 55 A L H X S+ 0 0 10 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.866 111.0 51.0 -66.3 -35.8 39.6 11.7 23.7 54 56 A L H X S+ 0 0 85 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.877 111.0 48.3 -65.1 -41.5 40.6 8.2 22.4 55 57 A Q H X S+ 0 0 50 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.835 110.9 51.3 -67.4 -35.1 43.4 9.8 20.3 56 58 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 6,-0.7 0.917 112.4 44.4 -69.2 -42.8 44.7 11.8 23.3 57 59 A E H X S+ 0 0 98 -4,-2.1 4,-2.0 4,-0.2 -2,-0.2 0.920 115.6 50.1 -67.1 -40.4 44.8 8.8 25.6 58 60 A S H < S+ 0 0 97 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.890 120.9 33.4 -58.6 -44.2 46.5 6.9 22.7 59 61 A E H < S+ 0 0 115 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.623 140.0 11.6 -92.3 -18.4 49.1 9.6 22.1 60 62 A A H < S- 0 0 44 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.378 85.6-126.3-144.1 0.9 49.7 11.0 25.6 61 63 A S < + 0 0 100 -4,-2.0 -4,-0.2 -5,-0.4 -3,-0.1 0.679 44.9 171.9 56.3 20.5 48.0 8.5 28.1 62 64 A I - 0 0 24 -6,-0.7 2,-0.5 1,-0.1 -1,-0.2 -0.442 39.8-115.9 -62.4 126.1 46.1 11.5 29.7 63 65 A P + 0 0 114 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.587 46.4 168.9 -63.7 115.8 43.5 10.2 32.2 64 66 A L - 0 0 29 -2,-0.5 -7,-0.0 -11,-0.0 -36,-0.0 -0.955 17.5-153.4-138.8 110.6 40.2 11.2 30.7 65 67 A S > - 0 0 67 -2,-0.4 3,-0.5 1,-0.1 0, 0.0 -0.183 27.9-117.5 -81.6 173.8 36.9 9.8 32.1 66 68 A A T >> S+ 0 0 66 1,-0.2 3,-1.7 2,-0.2 4,-0.6 0.646 110.2 75.8 -80.3 -19.9 33.5 9.2 30.5 67 69 A S H 3> S+ 0 0 92 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.699 90.4 58.5 -59.0 -21.2 32.2 11.8 33.0 68 70 A L H <> S+ 0 0 22 -3,-0.5 4,-0.7 1,-0.2 -1,-0.3 0.439 89.3 69.3 -95.9 -1.5 33.8 14.3 30.7 69 71 A L H <> S+ 0 0 47 -3,-1.7 4,-1.1 2,-0.1 -1,-0.2 0.772 106.9 40.0 -77.6 -29.6 31.8 13.2 27.6 70 72 A D H X S+ 0 0 94 -4,-0.6 4,-2.1 -3,-0.2 5,-0.2 0.719 105.8 62.3 -93.5 -26.8 28.7 14.7 29.2 71 73 A K H X S+ 0 0 90 -4,-0.8 4,-1.8 2,-0.2 5,-0.2 0.877 106.7 49.4 -62.6 -37.4 30.4 17.8 30.6 72 74 A S H X S+ 0 0 8 -4,-0.7 4,-3.1 2,-0.2 5,-0.2 0.963 111.6 45.0 -62.9 -56.7 31.2 18.8 27.0 73 75 A E H X S+ 0 0 108 -4,-1.1 4,-2.3 1,-0.2 -2,-0.2 0.886 118.5 42.8 -59.4 -44.0 27.7 18.3 25.6 74 76 A K H X S+ 0 0 129 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.826 114.8 49.2 -75.8 -33.3 25.9 20.1 28.4 75 77 A L H X S+ 0 0 48 -4,-1.8 4,-2.9 -5,-0.2 5,-0.2 0.953 113.1 48.3 -66.8 -49.4 28.4 22.9 28.6 76 78 A L H X S+ 0 0 18 -4,-3.1 4,-2.8 -5,-0.2 5,-0.2 0.911 109.4 53.2 -52.1 -49.1 28.1 23.3 24.8 77 79 A D H X S+ 0 0 44 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.946 113.6 42.6 -52.0 -55.5 24.3 23.3 25.0 78 80 A X H X S+ 0 0 86 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.906 116.0 47.3 -58.1 -48.9 24.3 26.1 27.6 79 81 A R H X S+ 0 0 38 -4,-2.9 4,-2.7 2,-0.2 5,-0.4 0.842 109.7 53.4 -69.6 -32.6 27.0 28.2 25.9 80 82 A L H X S+ 0 0 2 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.961 110.3 47.2 -62.7 -49.2 25.3 27.9 22.5 81 83 A E H < S+ 0 0 130 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.881 121.1 37.3 -63.8 -36.4 22.0 29.2 23.8 82 84 A R H < S+ 0 0 141 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.883 133.2 15.9 -79.1 -40.4 23.6 32.1 25.7 83 85 A D H < S+ 0 0 49 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.553 76.3 132.5-119.6 -14.8 26.4 33.1 23.3 84 86 A V < - 0 0 0 -4,-2.1 2,-0.4 -5,-0.4 -68,-0.1 -0.213 36.8-160.7 -58.9 133.4 26.0 31.8 19.7 85 87 A K - 0 0 123 -70,-0.3 -70,-3.5 1,-0.0 34,-0.1 -0.880 19.5-111.4-113.4 144.5 26.5 34.4 17.0 86 88 A I B -G 14 0B 50 -2,-0.4 2,-0.3 -72,-0.2 -72,-0.3 -0.323 42.5-103.6 -60.3 149.6 25.5 34.6 13.3 87 89 A I > - 0 0 9 -74,-2.6 3,-1.6 1,-0.1 4,-0.4 -0.621 41.7-101.9 -77.4 137.2 28.3 34.4 10.8 88 90 A D T 3 S+ 0 0 133 -2,-0.3 122,-0.6 1,-0.2 123,-0.1 -0.318 105.2 22.5 -54.9 139.2 29.2 37.8 9.2 89 91 A G T 3> S+ 0 0 12 121,-0.2 4,-2.9 120,-0.1 -1,-0.2 0.314 87.0 111.9 83.7 -7.5 27.9 38.3 5.7 90 92 A V H <> S+ 0 0 1 -3,-1.6 4,-3.0 2,-0.2 5,-0.3 0.984 83.4 42.2 -59.2 -56.6 25.1 35.7 6.1 91 93 A K H > S+ 0 0 96 -4,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.839 114.7 54.0 -62.1 -29.0 22.3 38.3 5.9 92 94 A F H > S+ 0 0 86 2,-0.2 4,-1.2 1,-0.1 -1,-0.2 0.955 111.7 43.8 -64.4 -50.4 24.3 40.0 3.1 93 95 A A H >X S+ 0 0 2 -4,-2.9 4,-2.4 1,-0.2 3,-1.0 0.955 113.4 49.9 -58.2 -55.3 24.4 36.8 1.1 94 96 A L H 3< S+ 0 0 20 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.786 106.5 57.5 -57.1 -31.5 20.7 36.0 1.7 95 97 A S H 3< S+ 0 0 103 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.858 115.6 35.1 -63.4 -36.5 19.8 39.5 0.6 96 98 A R H << S+ 0 0 167 -4,-1.2 -2,-0.2 -3,-1.0 -1,-0.1 0.818 94.1 92.3 -93.0 -35.3 21.4 39.0 -2.8 97 99 A L < - 0 0 21 -4,-2.4 116,-0.0 1,-0.1 -4,-0.0 -0.355 46.8-169.8 -70.3 138.7 20.9 35.3 -3.7 98 100 A T + 0 0 139 -2,-0.1 -1,-0.1 116,-0.1 -4,-0.0 0.548 56.5 102.2-100.6 -12.2 17.8 34.5 -5.8 99 101 A T S S- 0 0 22 1,-0.1 -95,-0.1 -95,-0.0 -96,-0.1 -0.502 79.8-107.0 -77.9 140.0 18.2 30.7 -5.4 100 102 A P - 0 0 64 0, 0.0 -95,-2.1 0, 0.0 2,-0.3 -0.209 42.7-155.2 -57.5 157.2 16.0 28.7 -3.0 101 103 A R E +b 5 0A 63 -97,-0.2 2,-0.3 23,-0.1 -95,-0.2 -0.939 20.2 172.1-140.9 155.8 17.8 27.5 0.1 102 104 A C E -b 6 0A 0 -97,-1.8 -95,-3.2 -2,-0.3 2,-0.5 -0.962 27.8-116.8-152.9 173.0 17.7 24.9 2.9 103 105 A I E -bc 7 129A 0 25,-2.3 27,-3.0 -2,-0.3 2,-0.4 -0.970 21.0-179.1-115.5 128.0 19.7 23.6 5.8 104 106 A C E + c 0 130A 0 -97,-2.0 2,-0.3 -2,-0.5 27,-0.2 -0.979 22.6 162.0-123.0 117.9 21.1 20.0 6.0 105 107 A S E - c 0 131A 1 25,-2.7 27,-2.9 -2,-0.4 28,-0.3 -0.925 50.2-138.3-136.9 154.8 22.9 19.3 9.2 106 108 A N S S+ 0 0 44 -2,-0.3 25,-0.1 25,-0.2 -1,-0.1 0.617 79.2 102.9 -80.2 -19.3 24.2 16.5 11.4 107 109 A S S S- 0 0 17 1,-0.1 26,-0.4 25,-0.1 -2,-0.2 -0.330 85.8 -97.4 -62.3 148.4 23.0 18.5 14.5 108 110 A S > - 0 0 39 1,-0.1 4,-2.3 23,-0.1 5,-0.2 -0.239 31.4-113.1 -60.5 158.0 19.8 17.4 16.2 109 111 A S H > S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.855 117.5 55.3 -61.5 -39.1 16.6 19.2 15.2 110 112 A H H > S+ 0 0 125 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.933 108.9 45.7 -60.7 -49.3 16.4 20.7 18.7 111 113 A R H > S+ 0 0 41 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.923 113.0 50.8 -61.5 -43.8 19.9 22.2 18.5 112 114 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.930 111.6 48.1 -57.1 -47.2 19.2 23.6 15.0 113 115 A D H X S+ 0 0 66 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.939 112.1 49.1 -60.8 -46.2 16.0 25.1 16.2 114 116 A X H X S+ 0 0 24 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.930 116.1 41.1 -62.0 -47.0 17.6 26.7 19.3 115 117 A X H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 6,-0.2 0.933 116.9 46.9 -66.9 -48.6 20.6 28.2 17.4 116 118 A L H <>S+ 0 0 0 -4,-2.6 5,-2.1 -5,-0.3 6,-1.6 0.834 112.8 49.1 -66.2 -36.3 18.6 29.4 14.4 117 119 A T H ><5S+ 0 0 78 -4,-2.3 3,-1.6 -5,-0.3 -1,-0.2 0.966 110.3 52.4 -64.5 -50.6 15.9 31.0 16.5 118 120 A K H 3<5S+ 0 0 87 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.892 114.4 39.9 -52.3 -49.2 18.5 32.8 18.7 119 121 A V T 3<5S- 0 0 21 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.384 114.2-117.7 -85.5 2.2 20.3 34.4 15.7 120 122 A G T < 5S+ 0 0 31 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.682 82.5 115.3 72.8 21.5 17.0 35.1 14.0 121 123 A L > < + 0 0 0 -5,-2.1 3,-1.9 -6,-0.2 4,-0.4 0.645 44.8 90.5 -93.1 -17.9 17.6 32.9 10.9 122 124 A K G >> S+ 0 0 70 -6,-1.6 4,-3.1 1,-0.3 3,-2.1 0.860 81.5 56.2 -50.9 -46.6 14.9 30.3 11.4 123 125 A P G 34 S+ 0 0 102 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.704 102.5 58.6 -61.8 -18.9 12.1 32.2 9.4 124 126 A Y G <4 S+ 0 0 126 -3,-1.9 -2,-0.2 -4,-0.1 -23,-0.1 0.537 121.2 23.4 -86.3 -4.5 14.5 32.3 6.4 125 127 A F T X4 S+ 0 0 4 -3,-2.1 3,-2.3 -4,-0.4 -22,-0.1 0.669 89.2 143.3-126.2 -40.2 14.8 28.5 6.3 126 128 A A T 3< S+ 0 0 44 -4,-3.1 -24,-0.0 1,-0.3 0, 0.0 -0.176 70.9 17.6 -54.1 139.9 11.8 26.8 8.0 127 129 A P T 3 S+ 0 0 100 0, 0.0 2,-1.5 0, 0.0 -1,-0.3 -0.941 116.7 72.9 -89.9 15.8 10.3 24.3 7.3 128 130 A H < + 0 0 59 -3,-2.3 -25,-2.3 -27,-0.1 2,-0.5 -0.395 63.4 119.5 -93.0 59.7 13.4 23.4 5.2 129 131 A I E -c 103 0A 35 -2,-1.5 2,-0.5 -27,-0.2 -25,-0.2 -0.962 44.6-169.5-126.6 106.7 15.7 22.6 8.1 130 132 A Y E -c 104 0A 28 -27,-3.0 -25,-2.7 -2,-0.5 2,-0.5 -0.887 10.3-161.3-115.3 122.5 16.8 18.9 7.9 131 133 A S E >> -c 105 0A 3 -2,-0.5 3,-1.3 -27,-0.2 4,-0.5 -0.892 17.1-147.6-103.5 128.4 18.6 16.9 10.5 132 134 A A H 3> S+ 0 0 0 -27,-2.9 4,-0.5 -2,-0.5 3,-0.4 0.701 100.4 65.7 -63.0 -20.6 20.5 13.8 9.6 133 135 A K H 34 S+ 0 0 117 -26,-0.4 -1,-0.2 -28,-0.3 3,-0.2 0.742 97.4 54.1 -70.5 -25.5 19.5 12.5 13.1 134 136 A D H <4 S+ 0 0 113 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.635 98.1 64.3 -82.4 -16.5 15.8 12.5 12.1 135 137 A L H < S- 0 0 56 -4,-0.5 2,-0.2 -3,-0.4 -1,-0.2 0.759 120.9 -69.3 -76.1 -27.1 16.4 10.3 9.0 136 138 A G >< - 0 0 27 -4,-0.5 3,-0.9 -3,-0.2 -1,-0.4 -0.823 63.8 -57.2 150.9 166.4 17.5 7.3 11.0 137 139 A A T 3 S+ 0 0 97 -2,-0.2 -4,-0.1 1,-0.2 -3,-0.0 -0.554 120.3 10.6 -72.3 139.9 20.4 6.2 13.2 138 140 A D T 3 S+ 0 0 127 -2,-0.2 -1,-0.2 1,-0.1 -5,-0.1 0.808 88.4 117.0 63.0 34.0 23.8 6.3 11.5 139 141 A R < + 0 0 121 -3,-0.9 7,-0.6 -7,-0.4 -1,-0.1 0.171 46.8 130.1-109.5 13.3 22.5 8.3 8.4 140 142 A V > - 0 0 47 1,-0.1 3,-2.2 5,-0.1 5,-0.2 -0.171 61.2 -57.4 -67.3 149.1 24.9 11.1 9.4 141 143 A K T 3 S+ 0 0 5 1,-0.3 29,-0.2 3,-0.1 -1,-0.1 -0.460 118.5 55.3 -55.6 139.5 27.4 12.9 7.0 142 144 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.3 0, 0.0 34,-0.2 -0.962 100.4 84.2 -71.9 -2.5 29.7 11.7 5.4 143 145 A K S < S- 0 0 92 -3,-2.2 3,-0.3 1,-0.1 4,-0.2 -0.386 83.3-133.3 -60.4 147.1 26.7 9.6 4.1 144 146 A P S >> S+ 0 0 30 0, 0.0 4,-2.2 0, 0.0 3,-0.7 0.572 78.5 105.0 -75.8 -7.0 24.9 11.5 1.3 145 147 A D H 3> S+ 0 0 31 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.795 75.7 46.0 -48.1 -56.4 21.5 10.8 2.9 146 148 A I H 3> S+ 0 0 0 -7,-0.6 4,-2.2 -3,-0.3 -1,-0.3 0.861 115.3 48.0 -59.1 -36.8 20.7 14.2 4.4 147 149 A F H <> S+ 0 0 0 -3,-0.7 4,-2.7 -4,-0.2 5,-0.2 0.929 111.5 48.7 -68.2 -46.7 21.7 16.1 1.2 148 150 A L H X S+ 0 0 74 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.881 111.6 52.3 -61.4 -37.6 19.7 13.7 -1.1 149 151 A H H X S+ 0 0 62 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.936 110.4 46.3 -63.1 -49.6 16.7 14.2 1.3 150 152 A G H X S+ 0 0 0 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.907 113.1 49.0 -59.6 -45.3 16.9 18.1 1.1 151 153 A A H >X>S+ 0 0 2 -4,-2.7 5,-2.3 1,-0.2 3,-1.1 0.927 109.4 52.4 -61.8 -45.3 17.3 18.1 -2.7 152 154 A A H ><5S+ 0 0 66 -4,-2.2 3,-0.9 1,-0.3 -1,-0.2 0.849 99.9 62.6 -59.8 -36.0 14.3 15.7 -3.2 153 155 A Q H 3<5S+ 0 0 97 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.789 111.8 38.8 -60.0 -26.6 12.1 18.0 -1.0 154 156 A F H <<5S- 0 0 59 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.453 110.7-122.1 -97.7 -4.3 12.7 20.7 -3.7 155 157 A G T <<5 + 0 0 69 -3,-0.9 2,-0.4 -4,-0.5 -3,-0.2 0.798 63.0 146.8 66.1 30.3 12.5 18.3 -6.6 156 158 A V < - 0 0 17 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.820 51.0-123.9-102.5 132.9 16.0 19.4 -7.7 157 159 A S > - 0 0 56 -2,-0.4 3,-2.5 1,-0.1 -154,-0.2 -0.542 27.6-117.8 -68.8 143.3 18.4 17.0 -9.3 158 160 A P G > S+ 0 0 45 0, 0.0 3,-1.9 0, 0.0 22,-0.4 0.820 112.2 64.4 -56.1 -33.9 21.7 16.8 -7.4 159 161 A D G 3 S+ 0 0 109 1,-0.3 19,-0.1 20,-0.1 20,-0.1 0.655 101.5 52.5 -63.7 -12.8 23.7 18.2 -10.3 160 162 A R G < S+ 0 0 98 -3,-2.5 -157,-2.6 -158,-0.1 -156,-1.3 0.185 94.3 91.4-105.2 16.2 21.7 21.5 -9.9 161 163 A V E < -a 4 0A 0 -3,-1.9 19,-1.8 -159,-0.2 2,-0.4 -0.904 55.7-161.7-112.9 136.4 22.5 21.8 -6.2 162 164 A V E -ad 5 180A 0 -158,-2.3 -156,-2.7 -2,-0.4 2,-0.4 -0.949 12.2-153.4-112.9 138.0 25.4 23.7 -4.6 163 165 A V E -ad 6 181A 0 17,-2.5 19,-3.3 -2,-0.4 2,-0.6 -0.918 6.4-150.9-113.0 140.4 26.4 23.0 -1.0 164 166 A V E +ad 7 182A 0 -158,-2.9 -156,-1.8 -2,-0.4 2,-0.3 -0.952 30.8 164.6-108.5 116.7 28.1 25.4 1.5 165 167 A E E - d 0 183A 0 17,-2.2 19,-2.4 -2,-0.6 -154,-0.1 -0.971 37.4-171.7-137.8 144.4 30.2 23.4 4.0 166 168 A D S S+ 0 0 5 -2,-0.3 2,-0.4 -156,-0.3 -1,-0.1 0.382 73.0 75.6-108.6 -2.8 32.9 24.1 6.6 167 169 A S S > S- 0 0 31 1,-0.1 4,-1.9 31,-0.1 5,-0.1 -0.901 72.4-136.8-122.2 145.6 33.6 20.4 7.3 168 170 A V H > S+ 0 0 43 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.848 108.0 53.7 -60.3 -38.5 35.3 17.5 5.6 169 171 A H H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.913 109.7 47.4 -65.7 -41.9 32.4 15.1 6.4 170 172 A G H > S+ 0 0 0 2,-0.2 4,-2.4 -29,-0.2 -2,-0.2 0.848 111.0 52.3 -64.1 -35.2 29.8 17.5 4.9 171 173 A I H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.939 111.1 45.2 -69.8 -43.5 31.9 17.9 1.8 172 174 A H H X S+ 0 0 84 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.922 112.5 53.2 -65.3 -43.6 32.3 14.1 1.3 173 175 A G H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.929 111.6 45.4 -51.0 -50.0 28.5 13.7 1.9 174 176 A A H <>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 -2,-0.2 0.883 114.4 46.7 -67.7 -39.6 27.8 16.3 -0.7 175 177 A R H ><5S+ 0 0 135 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.916 108.9 55.1 -68.2 -42.8 30.2 14.9 -3.3 176 178 A A H 3<5S+ 0 0 66 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.764 106.3 54.3 -58.2 -26.7 28.8 11.4 -2.6 177 179 A A T 3<5S- 0 0 8 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.444 121.3-109.5 -85.2 -5.2 25.3 12.9 -3.4 178 180 A G T < 5S+ 0 0 48 -3,-1.9 2,-0.2 1,-0.2 -3,-0.2 0.734 73.9 132.8 82.4 26.4 26.6 14.2 -6.8 179 181 A X < - 0 0 4 -5,-2.3 2,-0.3 -19,-0.1 -1,-0.2 -0.630 58.1-111.3-109.8 164.5 26.5 17.9 -5.8 180 182 A R E -d 162 0A 74 -19,-1.8 -17,-2.5 -22,-0.4 2,-0.4 -0.715 35.2-147.3 -96.9 146.9 29.0 20.8 -6.2 181 183 A V E -d 163 0A 1 21,-0.4 23,-2.6 -2,-0.3 24,-1.0 -0.954 18.1-163.5-127.1 134.5 30.6 22.2 -3.1 182 184 A I E -de 164 205A 0 -19,-3.3 -17,-2.2 -2,-0.4 2,-0.3 -0.965 23.4-143.6-108.1 121.0 31.8 25.5 -1.8 183 185 A G E -de 165 206A 0 22,-3.3 24,-2.7 -2,-0.5 2,-0.5 -0.678 11.7-154.1 -83.2 142.3 34.1 25.2 1.2 184 186 A F E + e 0 207A 2 -19,-2.4 24,-0.2 -2,-0.3 3,-0.2 -0.968 25.1 165.0-124.2 119.8 33.7 27.9 3.8 185 187 A T + 0 0 9 22,-2.7 23,-0.2 -2,-0.5 10,-0.1 -0.181 49.2 101.7-123.7 37.2 36.6 28.9 6.1 186 188 A G + 0 0 32 21,-0.2 -98,-0.2 -175,-0.2 -1,-0.1 0.553 52.5 106.3 -99.4 -8.2 35.4 32.2 7.4 187 189 A A S > S- 0 0 3 -176,-0.4 3,-1.5 -3,-0.2 -172,-0.1 -0.251 83.3-109.2 -72.9 164.0 34.2 31.0 10.8 188 190 A S T 3 S+ 0 0 73 1,-0.3 -1,-0.1 0, 0.0 -173,-0.0 0.647 112.2 62.7 -72.2 -15.7 36.1 31.8 14.0 189 191 A H T 3 S+ 0 0 29 -178,-0.1 -1,-0.3 2,-0.0 -148,-0.1 0.411 76.4 130.0 -87.2 2.7 37.4 28.3 14.5 190 192 A T < - 0 0 55 -3,-1.5 -149,-0.1 -149,-0.1 -148,-0.1 -0.044 36.1-169.9 -60.3 164.2 39.4 28.2 11.2 191 193 A Y > - 0 0 25 -150,-0.1 3,-1.7 -151,-0.1 4,-0.4 -0.909 38.0 -88.9-154.1 162.4 43.0 27.1 11.2 192 194 A P T 3 S+ 0 0 114 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.829 123.0 43.0 -54.9 -39.8 45.9 27.1 8.7 193 195 A S T 3> S+ 0 0 25 1,-0.2 4,-2.5 2,-0.1 5,-0.2 0.476 88.9 98.3 -85.8 1.5 45.2 23.7 7.0 194 196 A H H <> S+ 0 0 2 -3,-1.7 4,-2.2 1,-0.2 5,-0.2 0.916 82.1 43.8 -59.3 -53.1 41.4 24.3 6.9 195 197 A A H > S+ 0 0 33 -4,-0.4 4,-2.6 -3,-0.3 -1,-0.2 0.900 114.7 49.6 -62.1 -43.2 41.0 25.4 3.2 196 198 A D H > S+ 0 0 108 -4,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.923 110.0 52.2 -60.7 -43.0 43.4 22.7 1.9 197 199 A R H X S+ 0 0 65 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.910 110.8 46.9 -58.3 -45.0 41.4 20.1 3.9 198 200 A L H X>S+ 0 0 1 -4,-2.2 5,-2.5 2,-0.2 4,-0.7 0.905 113.0 49.1 -62.9 -44.1 38.1 21.3 2.4 199 201 A T H ><5S+ 0 0 70 -4,-2.6 3,-1.2 3,-0.2 -2,-0.2 0.935 110.0 51.2 -58.2 -48.1 39.7 21.3 -1.1 200 202 A D H 3<5S+ 0 0 139 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.805 106.3 55.8 -61.6 -30.7 41.1 17.8 -0.6 201 203 A A H 3<5S- 0 0 6 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.634 135.0 -85.3 -78.2 -17.9 37.6 16.6 0.5 202 204 A G T <<5 + 0 0 13 -3,-1.2 -21,-0.4 -4,-0.7 -3,-0.2 0.496 69.4 158.6 125.1 14.2 36.2 17.8 -2.8 203 205 A A < - 0 0 8 -5,-2.5 -1,-0.2 1,-0.2 -21,-0.2 -0.493 31.7-152.5 -61.4 127.1 35.4 21.6 -2.4 204 206 A E S S- 0 0 91 -23,-2.6 2,-0.3 1,-0.3 -22,-0.2 0.815 78.2 -5.8 -70.3 -35.3 35.3 23.1 -5.9 205 207 A T E -e 182 0A 50 -24,-1.0 -22,-3.3 -7,-0.1 2,-0.4 -0.966 68.6-133.8-152.1 162.8 36.3 26.4 -4.4 206 208 A V E -e 183 0A 37 -2,-0.3 2,-0.3 -24,-0.2 -22,-0.2 -0.980 18.3-175.8-123.1 134.7 36.9 27.9 -0.9 207 209 A I E -e 184 0A 10 -24,-2.7 -22,-2.7 -2,-0.4 -21,-0.2 -0.924 18.5-171.8-122.4 155.0 35.6 31.2 0.4 208 210 A S S S+ 0 0 69 -2,-0.3 2,-0.6 -24,-0.2 3,-0.1 0.414 76.7 67.4-118.5 -10.5 36.2 33.0 3.8 209 211 A R > - 0 0 135 1,-0.1 3,-2.1 -120,-0.0 4,-0.3 -0.965 65.1-157.3-111.9 118.8 33.7 35.8 3.3 210 212 A X G > S+ 0 0 2 -122,-0.6 3,-2.0 -2,-0.6 -121,-0.2 0.842 94.0 70.9 -58.6 -28.8 30.1 34.8 3.2 211 213 A Q G 3 S+ 0 0 41 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.649 89.0 63.6 -61.3 -14.9 29.6 38.0 1.3 212 214 A D G <> S+ 0 0 70 -3,-2.1 4,-2.8 1,-0.2 5,-0.3 0.573 75.4 93.4 -85.8 -13.9 31.4 36.3 -1.7 213 215 A L H <> S+ 0 0 0 -3,-2.0 4,-2.7 -4,-0.3 5,-0.3 0.884 81.6 50.9 -48.4 -51.4 28.7 33.6 -2.1 214 216 A P H > S+ 0 0 30 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.940 115.9 42.9 -55.6 -43.7 26.6 35.4 -4.7 215 217 A A H > S+ 0 0 66 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.910 115.2 48.1 -66.4 -43.9 29.8 36.0 -6.9 216 218 A V H X S+ 0 0 27 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.896 112.7 48.6 -66.8 -38.8 31.2 32.5 -6.4 217 219 A I H X S+ 0 0 11 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.943 111.1 49.7 -66.7 -46.9 27.9 30.8 -7.2 218 220 A A H < S+ 0 0 65 -4,-2.2 4,-0.5 -5,-0.3 -2,-0.2 0.910 112.7 48.0 -55.3 -45.5 27.4 32.9 -10.4 219 221 A A H >< S+ 0 0 64 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.881 109.7 51.6 -65.6 -40.5 31.0 32.0 -11.5 220 222 A X H 3< S+ 0 0 11 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.875 104.5 56.0 -63.1 -37.7 30.5 28.3 -10.8 221 223 A A T 3< 0 0 39 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.665 360.0 360.0 -65.4 -15.5 27.3 28.3 -12.9 222 224 A E < 0 0 192 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.1 -0.532 360.0 360.0 83.2 360.0 29.7 29.7 -15.6