==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 26-JUL-10 3O3W . COMPND 2 MOLECULE: BH2092 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR F.FOROUHAR,H.NEELY,J.SEETHARAMAN,S.SAHDEV,R.XIAO,C.CICCOSANT . 1046 11 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52083.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 786 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 153 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 72 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 356 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.6 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 0 9 0 9 4 5 9 0 0 9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 18 0 9 9 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 9 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 14 A E 0 0 124 0, 0.0 250,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.3 -53.2 8.2 47.3 2 15 A P - 0 0 24 0, 0.0 2,-0.3 0, 0.0 251,-0.2 0.280 360.0 -68.9 -64.5-155.5 -52.5 7.3 43.6 3 16 A A - 0 0 5 249,-1.0 335,-0.1 335,-0.5 246,-0.0 -0.744 45.8 -94.4-112.0 155.6 -54.2 4.2 42.2 4 17 A N > - 0 0 102 -2,-0.3 4,-3.3 333,-0.1 5,-0.3 -0.207 39.2-112.0 -57.3 144.3 -53.9 0.4 42.6 5 18 A P H > S+ 0 0 29 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.873 114.6 38.5 -45.2 -54.6 -51.6 -1.5 40.3 6 19 A N H > S+ 0 0 107 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.915 117.1 49.7 -64.5 -45.1 -54.4 -3.4 38.5 7 20 A E H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 113.3 48.2 -59.1 -45.0 -56.8 -0.5 38.4 8 21 A A H X S+ 0 0 0 -4,-3.3 4,-2.8 2,-0.2 5,-0.3 0.934 107.6 54.5 -61.5 -48.7 -54.1 1.7 37.0 9 22 A Y H X S+ 0 0 70 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.925 110.6 45.7 -53.1 -49.0 -53.0 -0.8 34.4 10 23 A R H X S+ 0 0 138 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.870 112.3 52.7 -62.9 -37.3 -56.6 -1.0 33.0 11 24 A H H X S+ 0 0 54 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.965 113.1 41.2 -62.3 -53.9 -56.9 2.7 33.1 12 25 A Y H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.831 115.3 52.5 -64.1 -34.6 -53.7 3.4 31.1 13 26 A X H X S+ 0 0 82 -4,-2.3 4,-1.1 -5,-0.3 -1,-0.2 0.956 111.6 44.5 -67.4 -50.0 -54.5 0.6 28.7 14 27 A K H >X S+ 0 0 99 -4,-2.6 4,-1.0 1,-0.2 3,-0.9 0.926 110.6 55.1 -59.8 -45.1 -58.0 1.8 27.9 15 28 A K H >X S+ 0 0 36 -4,-2.5 4,-1.9 1,-0.3 3,-1.1 0.932 106.3 51.8 -53.6 -47.4 -56.8 5.4 27.6 16 29 A L H 3< S+ 0 0 29 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.755 106.9 54.5 -62.1 -25.0 -54.2 4.2 25.0 17 30 A S H << S+ 0 0 44 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.652 110.5 45.4 -83.7 -15.7 -57.0 2.5 23.1 18 31 A Y H << S+ 0 0 10 -3,-1.1 87,-1.8 -4,-1.0 2,-0.3 0.750 116.7 36.9 -96.9 -29.2 -59.1 5.6 22.9 19 32 A E E < -a 105 0A 24 -4,-1.9 2,-0.3 85,-0.2 87,-0.2 -0.835 59.4-162.2-126.0 162.6 -56.4 8.1 21.8 20 33 A T E -a 106 0A 10 85,-1.6 87,-1.3 -2,-0.3 2,-0.2 -0.951 14.4-133.9-138.3 157.3 -53.4 8.3 19.7 21 34 A D > - 0 0 5 -2,-0.3 4,-2.0 85,-0.2 5,-0.2 -0.569 29.5-100.7-110.1 175.2 -50.4 10.6 19.5 22 35 A I H > S+ 0 0 2 298,-0.6 4,-2.8 85,-0.2 5,-0.2 0.888 116.9 52.9 -59.3 -45.0 -48.5 12.4 16.7 23 36 A A H > S+ 0 0 49 297,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.962 111.5 43.0 -56.9 -58.1 -45.6 9.9 16.7 24 37 A D H > S+ 0 0 54 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.894 117.7 46.1 -56.5 -45.4 -47.7 6.8 16.3 25 38 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.919 111.1 54.2 -63.9 -44.8 -50.0 8.3 13.6 26 39 A S H X S+ 0 0 29 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.906 107.7 49.0 -56.2 -46.3 -46.9 9.7 11.9 27 40 A I H X S+ 0 0 103 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.932 109.3 52.6 -61.6 -45.5 -45.3 6.3 11.6 28 41 A D H <>S+ 0 0 40 -4,-2.0 5,-2.0 1,-0.2 -2,-0.2 0.937 112.4 43.7 -56.1 -51.5 -48.5 4.7 10.3 29 42 A I H ><5S+ 0 0 26 -4,-2.3 3,-2.4 3,-0.2 -1,-0.2 0.919 108.3 58.6 -60.0 -48.4 -48.9 7.2 7.4 30 43 A K H 3<5S+ 0 0 183 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.922 113.0 37.8 -47.3 -54.7 -45.2 7.2 6.5 31 44 A K T 3<5S- 0 0 137 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.136 117.7-119.5 -87.0 20.4 -45.2 3.5 5.8 32 45 A G T < 5 - 0 0 45 -3,-2.4 2,-0.6 1,-0.2 -3,-0.2 0.883 32.2-162.0 39.8 69.3 -48.7 3.9 4.3 33 46 A Y > < - 0 0 126 -5,-2.0 3,-0.7 1,-0.1 -1,-0.2 -0.701 9.3-160.4 -81.9 119.1 -50.7 1.7 6.6 34 47 A E T 3 S+ 0 0 163 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.1 0.179 75.9 85.7 -85.7 14.8 -54.0 1.0 4.8 35 48 A G T 3 S+ 0 0 13 40,-0.1 41,-2.2 -7,-0.1 2,-0.3 0.326 85.0 56.7 -98.3 5.8 -55.6 -0.0 8.2 36 49 A I E < -b 76 0A 27 -3,-0.7 2,-0.4 39,-0.2 41,-0.2 -0.937 60.4-152.2-135.4 159.4 -56.6 3.5 9.2 37 50 A I E -b 77 0A 22 39,-2.1 41,-2.4 -2,-0.3 2,-0.6 -0.880 15.4-152.1-134.1 99.6 -58.6 6.4 7.9 38 51 A V E -b 78 0A 3 -2,-0.4 18,-3.1 16,-0.4 2,-0.4 -0.631 17.2-166.1 -75.8 117.3 -57.5 9.8 9.1 39 52 A V E -bc 79 56A 0 39,-2.5 41,-1.0 -2,-0.6 2,-0.7 -0.895 15.0-143.7-112.0 133.3 -60.5 12.2 9.1 40 53 A D E -bc 80 57A 0 16,-3.2 18,-2.2 -2,-0.4 41,-0.1 -0.844 11.8-173.2 -96.5 114.3 -60.4 16.0 9.4 41 54 A V + 0 0 12 39,-1.8 19,-2.2 -2,-0.7 20,-0.2 0.566 53.4 102.4 -82.8 -11.6 -63.3 17.3 11.5 42 55 A R S S- 0 0 9 38,-0.5 16,-0.1 17,-0.2 -2,-0.1 -0.072 87.3 -71.8 -65.6 171.5 -62.5 21.0 10.9 43 56 A D > - 0 0 108 16,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.231 45.0-108.8 -63.9 157.6 -64.5 23.1 8.3 44 57 A A H > S+ 0 0 49 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.858 118.7 53.5 -55.1 -41.0 -64.0 22.4 4.6 45 58 A E H > S+ 0 0 109 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.932 107.3 50.2 -62.8 -46.1 -62.1 25.7 4.2 46 59 A A H > S+ 0 0 8 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.886 111.1 50.2 -58.8 -41.4 -59.6 24.9 6.9 47 60 A Y H < S+ 0 0 50 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.838 108.6 51.6 -67.1 -33.6 -59.0 21.5 5.3 48 61 A K H < S+ 0 0 156 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.803 106.2 54.3 -75.3 -27.8 -58.4 23.0 1.9 49 62 A E H < S- 0 0 141 -4,-1.7 2,-0.2 1,-0.3 -1,-0.2 0.879 132.8 -37.2 -71.6 -36.8 -55.9 25.5 3.2 50 63 A C < + 0 0 70 -4,-1.5 -1,-0.3 -5,-0.2 2,-0.3 -0.857 64.5 169.9 178.3 150.1 -53.8 22.6 4.8 51 64 A H - 0 0 68 -2,-0.2 3,-0.1 -3,-0.1 -4,-0.0 -0.975 45.5 -68.1-161.6 167.9 -54.3 19.3 6.5 52 65 A I > - 0 0 0 -2,-0.3 3,-1.7 1,-0.1 -12,-0.1 -0.434 68.8 -89.6 -65.5 137.2 -52.5 16.2 7.7 53 66 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.167 107.7 7.7 -50.7 133.3 -51.2 14.0 4.8 54 67 A T T 3 S+ 0 0 98 1,-0.2 -16,-0.4 -3,-0.1 2,-0.3 0.585 96.0 139.3 69.9 12.3 -53.6 11.4 3.5 55 68 A A < - 0 0 4 -3,-1.7 -1,-0.2 -18,-0.1 -16,-0.2 -0.635 44.1-140.0 -89.7 145.7 -56.4 12.7 5.6 56 69 A I E -c 39 0A 56 -18,-3.1 -16,-3.2 -2,-0.3 2,-0.6 -0.656 17.9-115.1-100.5 161.5 -60.0 13.0 4.3 57 70 A S E +c 40 0A 45 -2,-0.2 -16,-0.1 -18,-0.2 -13,-0.1 -0.850 44.8 147.8-103.1 120.0 -62.4 15.8 4.9 58 71 A I - 0 0 8 -18,-2.2 4,-0.2 -2,-0.6 5,-0.1 -0.663 39.8-136.7-148.4 87.4 -65.6 15.3 6.9 59 72 A P > - 0 0 16 0, 0.0 3,-1.7 0, 0.0 -17,-0.2 -0.106 21.5-118.6 -46.1 136.7 -66.8 18.2 9.0 60 73 A G G > S+ 0 0 13 -19,-2.2 3,-1.7 1,-0.3 -18,-0.1 0.873 110.5 47.5 -45.0 -58.7 -68.0 17.3 12.5 61 74 A N G 3 S+ 0 0 144 1,-0.3 -1,-0.3 -20,-0.2 -20,-0.0 0.105 110.3 59.1 -76.8 28.7 -71.6 18.4 12.4 62 75 A K G < S+ 0 0 115 -3,-1.7 2,-0.6 -4,-0.2 -1,-0.3 0.207 72.1 121.6-137.3 8.5 -71.8 16.6 9.0 63 76 A I < + 0 0 16 -3,-1.7 2,-0.2 -5,-0.1 -3,-0.0 -0.694 35.7 120.0 -82.7 116.7 -70.9 13.1 10.1 64 77 A N S > S- 0 0 61 -2,-0.6 4,-0.7 35,-0.0 3,-0.3 -0.854 77.6 -76.7-155.5-171.5 -73.7 10.7 9.3 65 78 A E T 4 S+ 0 0 139 -2,-0.2 4,-0.5 1,-0.2 -2,-0.0 0.695 123.6 60.5 -74.0 -18.1 -74.4 7.5 7.3 66 79 A D T 4 S+ 0 0 115 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.847 112.3 38.0 -76.3 -32.4 -74.5 9.4 4.1 67 80 A T T 4 S+ 0 0 37 -3,-0.3 -2,-0.2 -5,-0.2 -1,-0.2 0.497 120.7 44.9 -95.5 -6.5 -70.9 10.6 4.5 68 81 A T S >< S+ 0 0 4 -4,-0.7 3,-0.6 2,-0.1 -2,-0.2 0.290 82.2 95.1-119.1 9.3 -69.6 7.4 6.0 69 82 A K T 3 S+ 0 0 144 -4,-0.5 -2,-0.1 1,-0.2 -3,-0.1 0.834 88.0 48.5 -68.4 -32.6 -71.2 4.9 3.6 70 83 A R T 3 S+ 0 0 202 -4,-0.2 2,-0.4 2,-0.1 -1,-0.2 0.526 93.7 97.2 -84.3 -6.3 -68.0 4.8 1.5 71 84 A L S < S- 0 0 29 -3,-0.6 2,-0.4 1,-0.0 -3,-0.0 -0.712 78.6-121.9 -88.2 133.6 -65.8 4.3 4.5 72 85 A S > - 0 0 38 -2,-0.4 3,-1.7 1,-0.1 -2,-0.1 -0.581 8.1-154.7 -76.4 122.1 -64.7 0.7 5.4 73 86 A K T 3 S+ 0 0 112 -2,-0.4 -1,-0.1 1,-0.3 29,-0.1 0.442 92.2 75.1 -74.6 4.9 -65.7 -0.4 8.9 74 87 A E T 3 S+ 0 0 175 2,-0.1 -1,-0.3 27,-0.1 2,-0.2 0.655 90.5 67.5 -86.5 -18.3 -62.8 -2.7 8.6 75 88 A K S < S- 0 0 66 -3,-1.7 27,-0.6 -39,-0.0 2,-0.6 -0.567 88.7-110.6-100.6 165.6 -60.4 0.2 9.2 76 89 A V E -bd 36 102A 42 -41,-2.2 -39,-2.1 -2,-0.2 2,-0.3 -0.852 28.8-137.6 -98.9 120.1 -59.9 2.3 12.3 77 90 A I E -bd 37 103A 0 25,-1.1 27,-1.5 -2,-0.6 2,-0.5 -0.543 14.7-164.6 -77.1 136.8 -61.1 5.9 12.0 78 91 A I E -bd 38 104A 6 -41,-2.4 -39,-2.5 -2,-0.3 27,-0.2 -0.909 7.6-167.1-124.6 104.6 -58.8 8.6 13.4 79 92 A T E +bd 39 105A 0 25,-1.1 27,-2.4 -2,-0.5 2,-0.3 -0.532 8.1 176.9 -88.8 157.3 -60.4 12.0 14.0 80 93 A Y E -b 40 0A 0 -41,-1.0 -39,-1.8 25,-0.2 -38,-0.5 -0.948 8.0-175.3-160.2 140.1 -58.6 15.3 14.7 81 94 A a - 0 0 9 25,-0.4 29,-2.0 -2,-0.3 30,-0.1 -0.127 51.3 -66.5-112.0-150.8 -59.5 18.9 15.2 82 95 A W S S- 0 0 130 27,-0.2 29,-2.9 1,-0.2 30,-0.2 0.976 90.2 -54.4 -69.9 -60.9 -57.4 22.1 15.7 83 96 A G S > S- 0 0 12 26,-0.2 3,-1.6 27,-0.2 26,-0.2 -0.838 71.5 -52.0-161.5-162.4 -55.8 21.6 19.1 84 97 A P T 3 S+ 0 0 28 0, 0.0 25,-0.1 0, 0.0 144,-0.0 0.732 124.6 59.3 -61.6 -25.5 -56.1 20.8 22.8 85 98 A A T 3 S+ 0 0 17 23,-0.1 54,-0.6 52,-0.1 53,-0.6 0.509 93.5 86.8 -83.3 -3.9 -58.7 23.6 23.3 86 99 A a < - 0 0 36 -3,-1.6 4,-0.2 51,-0.1 22,-0.1 -0.663 54.6-165.5-100.0 154.2 -61.1 21.9 20.7 87 100 A N >> + 0 0 5 -2,-0.2 4,-3.0 2,-0.1 3,-0.6 0.530 64.7 102.3-105.3 -16.6 -63.7 19.2 21.2 88 101 A G H 3> S+ 0 0 14 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.827 80.8 48.1 -35.3 -55.8 -64.2 18.4 17.6 89 102 A A H 3> S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.906 116.3 42.9 -58.3 -44.8 -62.1 15.2 17.7 90 103 A T H <> S+ 0 0 5 -3,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.944 116.8 46.5 -67.2 -50.1 -63.9 13.9 20.8 91 104 A K H >X S+ 0 0 85 -4,-3.0 4,-1.7 1,-0.2 3,-0.7 0.972 115.6 45.9 -55.9 -55.6 -67.4 14.9 19.6 92 105 A A H 3X S+ 0 0 2 -4,-3.1 4,-2.3 -5,-0.3 5,-0.2 0.885 106.7 59.4 -54.5 -43.7 -66.7 13.4 16.1 93 106 A A H 3X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.3 0.876 104.1 52.1 -53.8 -39.6 -65.3 10.3 17.7 94 107 A A H <>S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 3,-0.6 0.926 111.5 49.2 -71.3 -45.2 -68.3 7.5 14.5 97 110 A A H ><5S+ 0 0 3 -4,-2.6 3,-1.2 1,-0.3 -2,-0.2 0.852 109.9 54.0 -61.8 -32.6 -68.4 5.1 17.4 98 111 A Q H 3<5S+ 0 0 119 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.787 103.7 55.4 -72.6 -26.0 -72.2 5.5 17.3 99 112 A L T <<5S- 0 0 33 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.224 126.6-100.1 -89.5 12.5 -72.2 4.6 13.6 100 113 A G T < 5S+ 0 0 34 -3,-1.2 2,-0.3 1,-0.3 -3,-0.2 0.712 76.7 141.3 79.0 20.6 -70.4 1.3 14.4 101 114 A F < - 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0 0 38 -3,-2.0 4,-0.2 -300,-0.1 22,-0.1 -0.683 54.8-165.2-102.1 155.4 -45.9 12.1 23.5 322 100 C N >> + 0 0 4 -2,-0.2 4,-3.1 2,-0.1 3,-0.6 0.521 65.0 102.1-106.6 -16.9 -47.3 8.7 24.8 323 101 C G H 3> S+ 0 0 14 1,-0.3 4,-3.4 2,-0.2 5,-0.3 0.827 80.9 48.8 -34.4 -57.3 -44.2 7.5 26.5 324 102 C A H 3> S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.902 116.4 42.4 -56.3 -46.2 -45.4 8.4 30.0 325 103 C T H <> S+ 0 0 6 -3,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.936 116.8 46.5 -67.0 -48.3 -48.7 6.7 29.6 326 104 C K H >X S+ 0 0 80 -4,-3.1 4,-1.6 1,-0.2 3,-0.6 0.968 115.6 46.4 -57.6 -53.4 -47.3 3.7 27.8 327 105 C A H 3X S+ 0 0 1 -4,-3.4 4,-2.3 -5,-0.3 5,-0.2 0.888 106.5 59.2 -56.5 -42.2 -44.6 3.3 30.4 328 106 C A H 3X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.3 0.886 103.8 52.3 -55.5 -38.5 -47.1 3.8 33.2 329 107 C A H <>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 3,-0.5 0.931 111.5 48.8 -69.3 -45.8 -45.1 -0.3 35.6 332 110 C A H ><5S+ 0 0 3 -4,-2.5 3,-1.2 1,-0.3 -2,-0.2 0.850 110.1 54.4 -61.7 -32.7 -48.6 -0.9 36.8 333 111 C Q H 3<5S+ 0 0 108 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.780 103.5 55.0 -72.2 -26.6 -48.3 -4.3 35.1 334 112 C L T <<5S- 0 0 33 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.240 126.8-100.3 -88.8 11.3 -45.2 -5.0 37.0 335 113 C G T < 5S+ 0 0 33 -3,-1.2 2,-0.2 1,-0.3 -3,-0.2 0.693 76.7 140.9 80.6 19.2 -47.1 -4.4 40.3 336 114 C F < - 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0 0 72 -2,-0.2 -4,-0.1 -3,-0.1 -3,-0.0 -0.717 31.3-153.8-117.0 84.3 -34.7 24.4 35.8 354 132 C L 0 0 35 -2,-0.6 -67,-0.2 -9,-0.1 -9,-0.0 0.183 360.0 360.0 -47.3 165.8 -33.7 20.7 35.3 355 133 C E 0 0 143 -69,-1.4 -68,-0.2 0, 0.0 -1,-0.1 0.804 360.0 360.0-107.2 360.0 -30.1 19.4 35.7 356 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 357 17 D N > 0 0 79 0, 0.0 4,-2.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 88.8 -24.3 -26.6 18.2 358 18 D P H > + 0 0 26 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.847 360.0 48.0 -43.0 -46.2 -22.4 -28.8 20.8 359 19 D N H > S+ 0 0 52 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.910 109.8 50.6 -65.6 -45.1 -21.3 -25.7 22.7 360 20 D E H > S+ 0 0 68 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.925 112.9 48.1 -58.7 -45.5 -24.7 -24.1 22.8 361 21 D A H X S+ 0 0 9 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.929 107.6 54.7 -61.2 -48.6 -26.1 -27.4 24.1 362 22 D Y H X S+ 0 0 47 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.935 110.3 45.6 -52.6 -50.3 -23.4 -27.7 26.8 363 23 D R H X S+ 0 0 27 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.871 112.5 52.6 -61.7 -38.1 -24.2 -24.3 28.2 364 24 D H H X S+ 0 0 56 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.965 113.1 41.3 -61.4 -55.4 -27.9 -25.0 28.1 365 25 D Y H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.857 115.5 51.8 -62.0 -37.2 -27.6 -28.3 30.0 366 26 D X H X S+ 0 0 78 -4,-2.4 4,-1.2 -5,-0.3 -2,-0.2 0.962 112.1 44.7 -65.8 -50.9 -25.1 -26.8 32.4 367 27 D K H >X S+ 0 0 97 -4,-2.6 4,-1.1 1,-0.2 3,-0.7 0.920 110.6 54.9 -59.0 -45.3 -27.3 -23.8 33.3 368 28 D K H >X S+ 0 0 40 -4,-2.5 4,-1.9 1,-0.3 3,-1.1 0.937 106.7 51.4 -53.6 -48.2 -30.4 -25.9 33.6 369 29 D L H 3< S+ 0 0 31 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.775 106.9 54.7 -61.3 -26.1 -28.6 -28.1 36.1 370 30 D S H << S+ 0 0 34 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.677 110.9 45.1 -81.6 -17.2 -27.6 -24.9 38.1 371 31 D Y H << S+ 0 0 3 -4,-1.1 87,-1.9 -3,-1.1 2,-0.3 0.743 116.5 38.2 -96.3 -28.4 -31.2 -23.8 38.3 372 32 D E E < -m 458 0D 23 -4,-1.9 2,-0.3 85,-0.2 87,-0.2 -0.859 59.1-162.6-126.7 160.5 -32.9 -27.1 39.3 373 33 D T E -m 459 0D 10 85,-1.9 87,-1.4 -2,-0.3 2,-0.2 -0.936 14.1-134.5-135.6 158.0 -32.2 -30.1 41.5 374 34 D D > - 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0 0 38 -3,-1.6 4,-0.2 55,-0.1 22,-0.1 -0.672 54.8-165.0-101.4 154.4 -46.1 -34.8 24.5 556 100 E N > + 0 0 4 -2,-0.2 4,-3.2 2,-0.1 3,-0.4 0.491 65.1 101.7-106.2 -15.2 -44.5 -31.9 22.5 557 101 E G H > S+ 0 0 13 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.844 81.2 48.5 -37.3 -55.4 -47.7 -30.6 21.0 558 102 E A H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.925 116.4 42.9 -57.5 -46.8 -48.1 -27.7 23.3 559 103 E T H > S+ 0 0 6 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.940 117.0 45.9 -65.7 -48.6 -44.5 -26.6 22.8 560 104 E K H >X S+ 0 0 78 -4,-3.2 4,-1.7 1,-0.2 3,-0.6 0.968 115.4 46.8 -57.6 -53.9 -44.5 -27.1 19.1 561 105 E A H 3X S+ 0 0 2 -4,-3.2 4,-2.2 -5,-0.3 5,-0.2 0.892 106.3 59.3 -54.2 -44.3 -47.8 -25.4 18.7 562 106 E A H 3X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.3 0.886 104.0 52.2 -53.6 -41.0 -46.6 -22.6 20.9 563 107 E A H S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 3,-0.4 0.920 111.5 48.5 -71.7 -45.3 -48.4 -19.2 17.3 566 110 E A H ><5S+ 0 0 3 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.867 110.2 54.8 -61.6 -33.5 -45.4 -17.1 18.4 567 111 E Q H 3<5S+ 0 0 119 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.797 103.4 54.6 -70.0 -28.9 -44.3 -17.2 14.8 568 112 E L T 3<5S- 0 0 32 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.219 127.3 -99.8 -87.7 12.1 -47.7 -15.9 13.7 569 113 E G T < 5S+ 0 0 34 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.720 76.6 142.0 78.7 21.8 -47.3 -12.9 16.0 570 114 E F < - 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