==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 05-MAR-07 2P1G . COMPND 2 MOLECULE: PUTATIVE XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; . AUTHOR J.B.BONANNO,J.FREEMAN,K.T.BAIN,F.ZHANG,V.SRIDHAR,D.SMITH,S.W . 459 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21420.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 17.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 2 0.4 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 . 36 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 3 3 1 1 0 0 3 0 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 4 2 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 2 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 26 A V > 0 0 50 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 157.3 21.5 22.7 13.4 2 27 A L H > + 0 0 23 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.899 360.0 52.5 -59.8 -45.4 18.2 23.7 15.0 3 28 A S H > S+ 0 0 88 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.913 115.0 41.8 -61.6 -43.0 16.0 21.0 13.5 4 29 A N H >4 S+ 0 0 29 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.931 115.4 50.9 -67.3 -42.0 18.3 18.2 14.6 5 30 A G H >< S+ 0 0 0 -4,-2.9 3,-2.0 1,-0.2 -2,-0.2 0.890 103.6 58.4 -58.9 -42.2 18.9 19.9 18.0 6 31 A L H >< S+ 0 0 69 -4,-2.9 3,-1.7 1,-0.3 -1,-0.2 0.781 91.9 69.3 -65.9 -25.4 15.1 20.3 18.6 7 32 A G T << S+ 0 0 69 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.636 94.4 58.9 -64.2 -13.0 14.7 16.5 18.3 8 33 A F T X S+ 0 0 13 -3,-2.0 3,-2.6 -4,-0.3 197,-0.4 0.432 71.9 135.3 -95.0 -1.7 16.5 16.2 21.6 9 34 A V T < S+ 0 0 52 -3,-1.7 197,-0.2 1,-0.3 189,-0.1 -0.266 77.0 13.8 -56.4 130.8 14.2 18.4 23.7 10 35 A D T 3 S+ 0 0 98 195,-3.0 -1,-0.3 1,-0.3 196,-0.1 0.314 86.2 143.8 84.3 -4.2 13.4 16.6 27.0 11 36 A T < - 0 0 25 -3,-2.6 194,-2.4 1,-0.1 -1,-0.3 -0.485 59.7-104.2 -61.3 129.3 16.3 14.2 26.6 12 37 A P B -A 204 0A 70 0, 0.0 21,-2.0 0, 0.0 2,-0.3 -0.271 27.5-124.0 -60.3 144.2 17.7 13.7 30.2 13 38 A Y B +h 33 0B 65 190,-2.0 2,-0.3 186,-0.2 21,-0.2 -0.707 35.7 167.6 -82.1 137.0 21.0 15.3 31.2 14 39 A K > - 0 0 105 19,-2.5 3,-0.6 -2,-0.3 2,-0.2 -0.920 24.2-142.1-151.3 127.8 23.7 13.1 32.5 15 40 A A T 3 S+ 0 0 65 -2,-0.3 19,-0.0 1,-0.2 425,-0.0 -0.570 80.9 28.5 -83.8 151.7 27.4 13.9 33.1 16 41 A G T > + 0 0 30 -2,-0.2 3,-1.8 1,-0.1 -1,-0.2 0.621 65.5 139.7 79.4 15.1 30.1 11.4 32.3 17 42 A T T < S+ 0 0 4 -3,-0.6 3,-0.5 1,-0.3 -2,-0.1 0.740 75.3 52.0 -61.2 -24.6 28.4 9.4 29.5 18 43 A L T 3 S+ 0 0 13 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.442 100.4 62.9 -92.1 1.0 31.7 9.2 27.7 19 44 A E S < S+ 0 0 50 -3,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.282 70.3 101.0-105.5 9.2 33.7 7.9 30.7 20 45 A V + 0 0 91 -3,-0.5 2,-0.2 -4,-0.2 -1,-0.1 0.684 69.8 67.5 -76.0 -19.1 31.9 4.6 31.1 21 46 A D S S- 0 0 97 -3,-0.2 4,-0.0 4,-0.1 6,-0.0 -0.666 77.5-127.5-108.5 159.2 34.4 2.3 29.4 22 47 A D S S+ 0 0 160 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.789 95.1 39.2 -74.7 -31.6 38.0 1.3 30.3 23 48 A T S S- 0 0 112 52,-0.1 2,-0.5 53,-0.0 -2,-0.1 -0.883 94.4-103.9-117.9 153.6 39.6 2.2 27.0 24 49 A E + 0 0 37 -2,-0.3 51,-0.4 -5,-0.0 2,-0.3 -0.667 56.8 138.0 -82.6 124.4 38.7 5.2 24.9 25 50 A D - 0 0 104 -2,-0.5 2,-0.3 -7,-0.2 -4,-0.1 -0.915 61.7 -64.3-148.8 174.0 36.6 4.5 21.8 26 51 A L - 0 0 40 -2,-0.3 2,-0.5 47,-0.0 38,-0.0 -0.465 49.1-168.0 -69.5 121.6 33.7 6.2 20.1 27 52 A I - 0 0 29 -2,-0.3 2,-0.7 2,-0.0 -1,-0.0 -0.963 7.4-166.3-110.5 125.0 30.6 6.2 22.3 28 53 A I + 0 0 72 -2,-0.5 2,-0.4 2,-0.0 3,-0.1 -0.931 20.9 157.8-109.3 107.9 27.2 7.2 20.8 29 54 A N > + 0 0 30 -2,-0.7 3,-0.5 1,-0.1 12,-0.1 -0.778 5.8 161.1-132.4 87.8 24.7 7.8 23.6 30 55 A C T 3 + 0 0 33 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.453 69.6 69.7 -85.7 -2.1 21.9 10.0 22.3 31 56 A D T 3 S+ 0 0 124 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.642 108.4 27.7 -87.3 -23.4 19.6 9.0 25.2 32 57 A E S < S+ 0 0 69 -3,-0.5 2,-0.3 -21,-0.1 -1,-0.3 -0.968 79.9 172.2-142.3 124.4 21.6 10.8 28.0 33 58 A V B -h 13 0B 0 -21,-2.0 -19,-2.5 -2,-0.3 2,-0.2 -0.865 23.3-149.8-133.6 162.1 23.6 13.9 27.1 34 59 A D > - 0 0 31 -2,-0.3 4,-2.2 -21,-0.2 5,-0.3 -0.639 50.6 -83.0-117.4-175.0 25.6 16.8 28.6 35 60 A C H > S+ 0 0 6 -2,-0.2 4,-1.1 1,-0.2 163,-0.2 0.872 127.9 37.9 -60.4 -33.8 26.1 20.3 27.3 36 61 A T H > S+ 0 0 25 2,-0.2 4,-2.5 1,-0.1 -1,-0.2 0.924 113.9 49.8 -84.6 -46.6 28.8 19.2 24.9 37 62 A T H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.889 107.4 58.7 -66.2 -31.7 27.7 15.8 23.7 38 63 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.968 109.8 41.8 -55.6 -54.6 24.3 17.4 22.9 39 64 A V H X S+ 0 0 1 -4,-1.1 4,-3.0 -5,-0.3 5,-0.2 0.897 113.0 54.4 -62.6 -38.2 25.9 19.9 20.5 40 65 A E H X S+ 0 0 4 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.912 110.6 45.3 -63.0 -44.6 28.2 17.2 19.0 41 66 A Y H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.941 113.9 49.3 -63.8 -47.8 25.3 14.9 18.2 42 67 A A H X S+ 0 0 1 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.928 115.4 44.2 -54.1 -48.9 23.3 17.8 16.7 43 68 A L H X S+ 0 0 4 -4,-3.0 4,-1.8 2,-0.2 -1,-0.2 0.912 111.0 52.7 -62.4 -46.8 26.2 18.9 14.6 44 69 A A H < S+ 0 0 0 -4,-2.8 4,-0.4 -5,-0.2 -1,-0.2 0.858 113.7 44.6 -62.7 -36.2 27.2 15.4 13.5 45 70 A M H >< S+ 0 0 28 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.932 110.9 53.1 -66.3 -49.2 23.6 14.9 12.3 46 71 A A H 3< S+ 0 0 13 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.756 103.1 57.9 -61.6 -29.1 23.3 18.3 10.6 47 72 A L T 3< S+ 0 0 49 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.661 82.0 108.4 -75.6 -18.3 26.5 17.7 8.6 48 73 A C S < S- 0 0 7 -3,-1.5 6,-0.1 -4,-0.4 -3,-0.0 -0.313 73.1-134.7 -64.4 139.4 25.0 14.5 7.0 49 74 A P S S+ 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.844 93.9 50.3 -65.6 -29.9 24.1 14.9 3.3 50 75 A Q 0 0 57 3,-0.1 5,-0.2 5,-0.1 -2,-0.1 -0.836 360.0 360.0-109.9 148.8 20.8 13.1 4.1 51 76 A Q 0 0 105 -2,-0.3 3,-0.3 3,-0.1 -5,-0.1 -0.709 360.0 360.0-126.8 360.0 18.4 14.0 6.9 52 ! 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 53 79 A E 0 0 194 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 -20.0 17.6 8.9 5.0 54 80 A M - 0 0 66 -3,-0.3 2,-0.4 -5,-0.1 -3,-0.1 -0.298 360.0-132.9 -52.1 130.9 20.5 9.9 7.3 55 81 A Q > - 0 0 110 -5,-0.2 4,-2.1 1,-0.1 3,-0.5 -0.796 2.0-143.3 -94.0 132.5 23.2 7.2 7.2 56 82 A E H > S+ 0 0 122 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.799 102.1 58.6 -64.8 -31.5 24.6 6.0 10.5 57 83 A G H > S+ 0 0 47 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.873 107.3 46.6 -60.2 -40.5 28.0 5.6 8.9 58 84 A D H > S+ 0 0 25 -3,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.923 113.5 48.2 -68.3 -44.8 28.0 9.3 8.0 59 85 A F H X S+ 0 0 8 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.945 113.3 47.9 -60.0 -49.2 26.8 10.4 11.4 60 86 A A H X S+ 0 0 21 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.886 112.0 49.1 -61.8 -43.5 29.5 8.2 13.1 61 87 A R H X S+ 0 0 145 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.949 113.5 46.9 -58.1 -50.9 32.3 9.5 10.8 62 88 A N H X S+ 0 0 16 -4,-2.7 4,-1.8 1,-0.2 5,-0.2 0.924 111.1 51.0 -58.3 -47.3 31.2 13.1 11.5 63 89 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.913 109.2 50.3 -61.1 -42.4 31.0 12.6 15.3 64 90 A Q H X S+ 0 0 65 -4,-2.2 4,-1.9 1,-0.2 7,-0.3 0.919 109.9 52.0 -61.9 -41.1 34.5 11.1 15.4 65 91 A R H < S+ 0 0 82 -4,-2.2 6,-0.4 1,-0.2 -1,-0.2 0.782 116.4 39.4 -63.1 -32.7 35.8 14.1 13.4 66 92 A I H < S+ 0 0 0 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.814 117.8 45.4 -85.3 -35.5 34.2 16.6 15.9 67 93 A R H < S+ 0 0 1 -4,-2.6 13,-2.7 -5,-0.2 2,-0.3 0.800 108.9 54.4 -84.2 -29.5 34.9 14.8 19.2 68 94 A Y B >< S-I 79 0C 1 -4,-1.9 3,-2.5 -5,-0.3 11,-0.2 -0.844 95.6 -95.0-113.8 143.7 38.5 13.8 18.7 69 95 A R G > S- 0 0 39 9,-2.8 3,-1.7 -2,-0.3 -3,-0.1 -0.375 111.0 -12.6 -54.0 115.3 41.6 15.9 17.8 70 96 A D G 3 S- 0 0 130 1,-0.3 -1,-0.3 -5,-0.2 -5,-0.1 0.743 120.6 -73.2 58.1 26.3 41.9 15.6 14.0 71 97 A G G < S+ 0 0 14 -3,-2.5 2,-0.6 -6,-0.4 -1,-0.3 0.607 99.1 133.7 67.8 14.2 39.4 12.7 14.1 72 98 A K < - 0 0 134 -3,-1.7 2,-0.6 6,-0.1 -3,-0.2 -0.861 49.5-146.3-104.3 122.1 41.9 10.3 15.6 73 99 A I + 0 0 43 -2,-0.6 3,-0.1 -5,-0.1 -47,-0.0 -0.740 37.5 147.6 -88.3 116.9 40.9 8.1 18.5 74 100 A D - 0 0 106 1,-0.7 3,-0.2 -2,-0.6 4,-0.2 -0.455 61.4 -59.0-152.9 67.2 44.0 7.7 20.7 75 101 A G S > S- 0 0 32 -51,-0.4 3,-1.5 1,-0.2 -1,-0.7 -0.052 81.1 -52.5 81.5 175.4 43.2 7.4 24.4 76 102 A Y G > S+ 0 0 13 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.828 131.5 57.7 -56.7 -38.5 41.4 9.8 26.8 77 103 A T G 3 S+ 0 0 15 1,-0.3 -1,-0.3 -3,-0.2 4,-0.2 0.594 92.9 68.2 -77.9 -8.4 43.6 12.8 25.9 78 104 A S G < S+ 0 0 6 -3,-1.5 -9,-2.8 -4,-0.2 -1,-0.3 0.608 82.4 91.9 -77.3 -15.8 42.7 12.6 22.2 79 105 A R B < S-I 68 0C 13 -3,-1.3 2,-1.3 -4,-0.4 -11,-0.2 -0.608 90.8-115.0 -79.0 143.6 39.2 13.6 23.0 80 106 A L + 0 0 10 -13,-2.7 -2,-0.1 -2,-0.3 -1,-0.1 -0.643 46.9 162.1 -87.9 95.1 38.6 17.4 22.9 81 107 A H + 0 0 36 -2,-1.3 2,-0.5 -4,-0.2 -1,-0.2 0.855 55.9 67.6 -83.3 -41.8 37.9 18.3 26.5 82 108 A Y S >> S- 0 0 7 1,-0.1 4,-2.2 96,-0.0 3,-0.6 -0.743 77.5-141.1 -82.1 130.1 38.5 22.1 26.4 83 109 A I H 3> S+ 0 0 5 -2,-0.5 4,-3.2 97,-0.3 5,-0.2 0.829 100.5 59.1 -59.1 -33.6 35.9 23.8 24.3 84 110 A S H 3> S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.902 110.2 44.2 -59.0 -39.8 38.5 26.3 22.8 85 111 A D H <> S+ 0 0 15 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.908 112.3 51.6 -70.9 -44.6 40.3 23.2 21.5 86 112 A W H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.908 111.9 47.5 -54.9 -48.8 37.1 21.6 20.3 87 113 A I H X S+ 0 0 1 -4,-3.2 4,-2.9 2,-0.2 5,-0.2 0.944 110.8 51.0 -61.1 -47.2 36.2 24.8 18.5 88 114 A N H X S+ 0 0 53 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.895 109.3 52.3 -57.0 -41.2 39.7 25.1 16.9 89 115 A N H X S+ 0 0 8 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.920 113.8 41.6 -60.8 -44.9 39.4 21.4 15.7 90 116 A A H <>S+ 0 0 0 -4,-2.0 5,-2.2 2,-0.2 6,-1.1 0.881 115.6 49.2 -76.2 -37.8 36.1 22.0 14.0 91 117 A V H ><5S+ 0 0 47 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.929 108.9 52.5 -67.4 -44.8 37.1 25.4 12.5 92 118 A R H 3<5S+ 0 0 200 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.767 109.7 50.3 -63.0 -28.5 40.4 24.1 11.1 93 119 A Q T 3<5S- 0 0 53 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.460 114.9-117.0 -85.4 -3.7 38.5 21.3 9.4 94 120 A G T < 5S+ 0 0 63 -3,-1.6 -3,-0.2 2,-0.3 -2,-0.1 0.664 83.8 118.9 77.3 14.7 36.0 23.7 7.9 95 121 A L S +B 228 0A 34 -2,-0.4 4,-0.9 130,-0.2 130,-0.2 -0.730 31.4 178.0 -88.3 95.7 33.9 31.4 13.6 99 125 A V H >> S+ 0 0 3 128,-1.4 4,-1.6 -2,-1.2 3,-0.9 0.926 78.5 54.2 -69.8 -46.0 31.2 34.1 13.2 100 126 A T H 3> S+ 0 0 0 127,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.847 104.0 58.4 -57.2 -31.7 32.4 36.2 16.2 101 127 A A H 34 S+ 0 0 37 126,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.843 108.8 45.5 -63.3 -32.2 35.9 36.2 14.5 102 128 A A H << S+ 0 0 82 -4,-0.9 -2,-0.2 -3,-0.9 -1,-0.2 0.759 127.5 23.8 -80.2 -28.0 34.3 37.8 11.4 103 129 A Y H < S+ 0 0 130 -4,-1.6 -2,-0.2 1,-0.1 -3,-0.2 0.769 103.2 72.8-112.2 -37.7 32.2 40.4 13.3 104 130 A S < - 0 0 5 -4,-2.4 -1,-0.1 -5,-0.3 46,-0.1 -0.727 47.2-164.4 -97.4 135.6 33.5 41.3 16.8 105 131 A P + 0 0 103 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.536 65.6 99.9 -84.7 -5.2 36.6 43.4 17.5 106 132 A F - 0 0 85 43,-0.4 43,-2.1 -6,-0.1 2,-0.3 -0.524 53.5-172.2 -88.1 148.2 36.8 42.2 21.1 107 133 A K E -J 148 0D 88 41,-0.3 2,-0.4 -2,-0.2 41,-0.2 -0.954 18.1-154.1-140.8 152.5 39.1 39.4 22.2 108 134 A Q E -J 147 0D 69 39,-2.4 39,-2.4 -2,-0.3 2,-0.4 -0.977 20.1-132.5-123.7 145.7 40.0 37.2 25.1 109 135 A K E -J 146 0D 160 -2,-0.4 37,-0.2 37,-0.2 2,-0.2 -0.822 30.5-120.5 -93.8 132.7 43.4 35.6 25.8 110 136 A L + 0 0 13 35,-3.1 34,-3.0 -2,-0.4 2,-0.3 -0.488 31.1 177.3 -77.2 143.3 43.1 31.9 26.6 111 137 A S + 0 0 78 32,-0.2 2,-0.4 -2,-0.2 66,-0.3 -0.774 9.7 177.3-145.4 95.3 44.3 30.6 30.0 112 138 A L + 0 0 6 27,-0.5 66,-0.2 -2,-0.3 31,-0.2 -0.870 29.8 116.8-106.5 132.2 43.7 26.9 30.4 113 139 A S > + 0 0 44 64,-2.2 4,-1.6 -2,-0.4 5,-0.2 0.339 38.2 107.5-168.4 -2.4 44.8 24.9 33.4 114 140 A Y H > S+ 0 0 13 63,-2.0 4,-1.6 1,-0.2 3,-0.1 0.911 82.5 46.9 -61.0 -47.6 41.8 23.5 35.2 115 141 A M H 4 S+ 0 0 8 62,-0.3 3,-0.2 1,-0.2 -1,-0.2 0.923 115.6 42.5 -65.9 -43.6 42.2 19.9 34.3 116 142 A S H 4 S+ 0 0 30 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.741 115.1 53.2 -76.5 -16.8 45.9 19.6 35.1 117 143 A T H < S+ 0 0 80 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.736 121.2 29.8 -84.3 -27.6 45.3 21.6 38.3 118 144 A H >< + 0 0 26 -4,-1.6 3,-1.9 -3,-0.2 4,-0.3 -0.396 69.0 148.7-127.7 55.8 42.5 19.3 39.5 119 145 A P G > + 0 0 24 0, 0.0 3,-1.6 0, 0.0 7,-0.3 0.787 65.1 74.3 -67.0 -21.1 43.4 15.9 38.0 120 146 A E G 3 S+ 0 0 59 1,-0.3 6,-0.1 5,-0.1 -5,-0.0 0.703 87.9 62.5 -58.4 -21.9 41.8 14.2 41.0 121 147 A L G < S+ 0 0 43 -3,-1.9 2,-0.5 -6,-0.2 -1,-0.3 0.711 92.8 73.3 -77.9 -19.2 38.4 15.1 39.6 122 148 A Y X> - 0 0 50 -3,-1.6 4,-2.9 -4,-0.3 3,-1.6 -0.852 69.5-144.5-113.7 128.3 38.7 13.1 36.4 123 149 A K T 34 S+ 0 0 113 -2,-0.5 4,-0.4 1,-0.3 -1,-0.1 0.867 105.0 44.4 -51.3 -43.4 38.5 9.3 36.1 124 150 A S T 34 S+ 0 0 35 1,-0.2 -1,-0.3 2,-0.1 7,-0.1 0.431 120.5 38.7 -90.9 2.4 41.2 9.3 33.4 125 151 A L T X4 S+ 0 0 2 -3,-1.6 3,-1.9 -6,-0.3 7,-0.2 0.689 95.0 75.8-109.9 -33.2 43.5 11.7 35.1 126 152 A K T 3< S+ 0 0 76 -4,-2.9 -2,-0.1 -7,-0.3 -3,-0.1 0.699 113.4 24.3 -62.6 -20.9 43.4 10.8 38.8 127 153 A N T 3 S+ 0 0 143 -4,-0.4 -1,-0.3 -5,-0.2 -2,-0.1 0.060 110.4 81.3-124.8 18.9 45.6 7.7 38.4 128 154 A S <> + 0 0 26 -3,-1.9 4,-2.3 1,-0.1 3,-0.2 -0.734 41.4 173.4-132.2 86.8 47.4 8.7 35.2 129 155 A P H > S+ 0 0 91 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.826 87.0 57.0 -58.1 -32.1 50.4 11.1 35.5 130 156 A E H > S+ 0 0 135 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.903 107.1 46.8 -65.5 -41.8 51.1 10.5 31.8 131 157 A N H > S+ 0 0 43 2,-0.2 4,-2.6 -3,-0.2 5,-0.2 0.896 112.0 50.8 -66.6 -39.9 47.6 11.8 30.9 132 158 A V H X S+ 0 0 30 -4,-2.3 4,-2.7 -7,-0.2 -2,-0.2 0.936 109.6 50.6 -61.0 -44.1 48.0 14.8 33.2 133 159 A A H X S+ 0 0 47 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.907 111.3 49.0 -60.8 -42.7 51.3 15.6 31.6 134 160 A Q H X S+ 0 0 52 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.914 110.2 49.4 -64.2 -44.1 49.7 15.4 28.1 135 161 A M H X S+ 0 0 1 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.914 108.3 54.7 -64.6 -38.0 46.8 17.6 29.1 136 162 A A H X S+ 0 0 15 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.870 106.4 52.0 -60.9 -36.0 49.3 20.1 30.5 137 163 A K H X S+ 0 0 126 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.916 111.9 45.8 -65.2 -41.2 51.1 20.2 27.1 138 164 A Y H X S+ 0 0 62 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.914 112.2 50.6 -68.5 -43.0 47.7 20.9 25.4 139 165 A E H X S+ 0 0 6 -4,-3.0 4,-2.3 1,-0.2 -27,-0.5 0.903 111.7 48.8 -56.1 -43.5 46.8 23.6 27.9 140 166 A K H < S+ 0 0 155 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.875 108.3 52.6 -68.3 -37.4 50.2 25.2 27.4 141 167 A A H < S+ 0 0 65 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.774 117.0 38.9 -71.9 -27.8 50.0 25.2 23.6 142 168 A L H >< S+ 0 0 28 -4,-1.5 3,-1.6 -3,-0.1 -32,-0.3 0.758 94.5 96.8 -90.0 -30.0 46.5 26.9 23.7 143 169 A S T 3< S+ 0 0 37 -4,-2.3 -32,-0.2 1,-0.2 3,-0.1 -0.356 85.5 26.1 -67.2 139.1 47.2 29.4 26.6 144 170 A G T 3 S+ 0 0 40 -34,-3.0 -1,-0.2 1,-0.4 2,-0.2 0.195 93.1 119.8 93.0 -14.2 48.2 32.9 25.5 145 171 A K < - 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0 0 42 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 -0.353 24.2-156.9 -62.9 146.7 53.1 16.7 56.2 280 75 B Q + 0 0 162 -4,-0.1 2,-0.4 5,-0.0 -2,-0.0 0.532 65.7 92.3-103.5 -9.6 53.6 15.7 52.6 281 76 B Q S >> S- 0 0 120 1,-0.1 3,-1.8 2,-0.0 4,-0.8 -0.736 76.8-132.0 -88.8 133.7 57.4 15.4 52.7 282 77 B G G >4 S+ 0 0 56 -2,-0.4 3,-0.8 1,-0.3 -1,-0.1 0.850 104.8 47.5 -51.2 -44.2 58.8 11.9 53.5 283 78 B D G 34 S+ 0 0 151 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.0 0.516 107.6 56.2 -83.8 -1.2 61.2 13.0 56.1 284 79 B E G <4 S+ 0 0 110 -3,-1.8 -1,-0.2 2,-0.0 -2,-0.2 0.484 82.4 111.4 -98.2 -11.5 58.6 15.2 58.0 285 80 B M << - 0 0 113 -3,-0.8 2,-0.3 -4,-0.8 -5,-0.0 -0.450 49.0-167.9 -68.1 135.2 56.2 12.3 58.4 286 81 B Q > - 0 0 141 -2,-0.2 3,-1.9 -7,-0.1 4,-0.2 -0.946 32.4 -87.3-127.1 150.1 55.7 11.1 62.0 287 82 B E T 3 S+ 0 0 186 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 -0.259 110.1 4.1 -58.1 124.7 54.0 8.0 63.4 288 83 B G T 3> S+ 0 0 35 3,-0.0 4,-2.8 4,-0.0 -1,-0.3 0.592 80.9 138.5 77.4 15.2 50.3 8.5 63.9 289 84 B D H <> S+ 0 0 25 -3,-1.9 4,-2.7 2,-0.2 5,-0.2 0.929 75.7 45.9 -52.8 -50.1 50.1 12.0 62.4 290 85 B F H > S+ 0 0 53 -4,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.950 115.2 44.9 -61.8 -48.9 46.8 11.2 60.6 291 86 B A H > S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.859 113.1 51.7 -65.0 -36.6 45.2 9.5 63.6 292 87 B R H X S+ 0 0 116 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.921 111.2 46.9 -65.7 -46.8 46.3 12.4 66.0 293 88 B N H X S+ 0 0 20 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.939 112.1 50.9 -57.9 -47.7 44.9 15.0 63.7 294 89 B L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.908 108.7 51.5 -58.3 -43.6 41.6 13.1 63.4 295 90 B Q H X S+ 0 0 63 -4,-2.3 4,-1.8 1,-0.2 7,-0.2 0.900 108.4 51.2 -61.3 -38.7 41.4 12.8 67.2 296 91 B R H < S+ 0 0 90 -4,-2.0 6,-0.4 1,-0.2 -1,-0.2 0.797 115.5 43.7 -67.4 -30.6 41.9 16.5 67.5 297 92 B I H < S+ 0 0 1 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.869 117.9 39.7 -79.0 -43.7 39.1 17.1 65.0 298 93 B R H < S+ 0 0 1 -4,-2.6 13,-2.9 -5,-0.2 2,-0.3 0.758 110.7 58.3 -86.3 -27.1 36.4 14.6 66.2 299 94 B Y B >< S-S 310 0G 1 -4,-1.8 3,-2.6 -5,-0.3 11,-0.2 -0.851 92.5 -97.8-114.0 144.2 36.8 15.0 70.0 300 95 B R G > S- 0 0 37 9,-2.7 3,-2.0 -2,-0.3 -3,-0.1 -0.364 110.8 -10.2 -58.4 119.7 36.4 17.9 72.3 301 96 B D G 3 S- 0 0 77 1,-0.3 -1,-0.3 -5,-0.2 -5,-0.1 0.694 121.0 -75.5 56.9 21.1 39.9 19.3 73.0 302 97 B G G < S+ 0 0 12 -3,-2.6 2,-0.6 -6,-0.4 -1,-0.3 0.732 100.4 134.4 68.3 22.2 41.1 16.1 71.3 303 98 B K < - 0 0 137 -3,-2.0 2,-0.7 6,-0.2 -3,-0.3 -0.911 49.3-147.0-114.4 119.5 40.3 14.1 74.4 304 99 B I + 0 0 46 -2,-0.6 3,-0.1 -5,-0.1 2,-0.1 -0.746 37.8 144.4 -87.6 116.7 38.4 10.8 74.2 305 100 B D - 0 0 132 -2,-0.7 3,-0.2 1,-0.6 4,-0.1 -0.521 62.9 -48.7-154.3 76.4 36.2 10.3 77.2 306 101 B G S > S- 0 0 32 -52,-0.4 3,-1.8 1,-0.2 -1,-0.6 0.044 80.5 -57.5 82.0 171.5 32.9 8.6 76.4 307 102 B Y G > S+ 0 0 16 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.835 131.2 56.0 -56.2 -38.4 30.2 9.0 73.7 308 103 B T G 3 S+ 0 0 14 1,-0.2 -1,-0.3 -3,-0.2 4,-0.1 0.558 91.5 71.0 -80.3 -3.1 29.6 12.6 74.7 309 104 B S G < S+ 0 0 8 -3,-1.8 -9,-2.7 -4,-0.1 2,-0.2 0.660 80.0 92.1 -81.4 -17.8 33.2 13.7 74.2 310 105 B R B < S-S 299 0G 19 -3,-1.1 2,-1.9 -4,-0.5 -11,-0.2 -0.599 92.6-114.8 -72.4 140.1 32.7 13.2 70.4 311 106 B L + 0 0 9 -13,-2.9 6,-0.2 -2,-0.2 -1,-0.1 -0.464 46.9 165.9 -82.5 78.5 31.6 16.5 68.8 312 107 B H + 0 0 40 -2,-1.9 2,-0.5 -4,-0.1 -1,-0.2 0.857 56.5 65.7 -67.5 -39.9 28.1 15.6 67.8 313 108 B Y S >> S- 0 0 6 -3,-0.2 4,-2.3 1,-0.1 3,-0.7 -0.724 77.3-141.3 -87.3 130.9 26.7 19.1 67.0 314 109 B I H 3> S+ 0 0 13 -2,-0.5 4,-2.9 1,-0.2 5,-0.2 0.841 101.6 59.8 -60.3 -32.7 28.4 20.8 64.1 315 110 B S H 3> S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.913 110.4 42.9 -60.1 -38.7 28.4 24.2 65.9 316 111 B D H <> S+ 0 0 23 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.873 112.0 53.8 -70.1 -43.9 30.4 22.6 68.7 317 112 B W H X S+ 0 0 1 -4,-2.3 4,-2.3 -6,-0.2 -2,-0.2 0.910 109.3 49.1 -57.9 -46.9 32.7 20.8 66.2 318 113 B I H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.941 110.2 49.8 -59.0 -49.6 33.4 24.1 64.5 319 114 B N H X S+ 0 0 71 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.887 111.5 50.1 -60.8 -37.2 34.2 25.9 67.8 320 115 B N H X S+ 0 0 9 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.933 110.1 48.8 -62.9 -47.7 36.6 23.0 68.7 321 116 B A H <>S+ 0 0 0 -4,-2.3 5,-2.6 2,-0.2 6,-1.1 0.872 113.4 47.9 -61.9 -38.5 38.4 23.2 65.3 322 117 B V H ><5S+ 0 0 65 -4,-2.4 3,-1.4 4,-0.2 -1,-0.2 0.934 111.9 49.1 -67.5 -44.0 38.8 27.0 65.7 323 118 B R H 3<5S+ 0 0 195 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.862 110.0 52.3 -63.7 -37.4 40.1 26.6 69.3 324 119 B Q T 3<5S- 0 0 45 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.501 114.3-118.3 -75.5 -6.2 42.5 24.0 68.1 325 120 B G T < 5S+ 0 0 65 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.726 84.6 113.2 75.1 22.5 43.9 26.3 65.3 326 121 B L S +L 459 0E 40 -2,-0.3 4,-0.7 130,-0.2 130,-0.2 -0.772 31.6 179.4 -88.0 100.2 35.5 30.8 60.3 330 125 B V H >> S+ 0 0 0 128,-1.8 4,-1.8 -2,-1.0 3,-1.2 0.923 78.0 55.6 -72.9 -44.1 35.2 32.4 56.9 331 126 B T H 3> S+ 0 0 0 127,-1.7 4,-2.3 1,-0.3 -1,-0.2 0.828 101.2 60.2 -60.5 -30.0 31.6 33.4 57.1 332 127 B A H 34 S+ 0 0 44 126,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.825 110.2 42.3 -63.2 -31.9 32.4 35.3 60.4 333 128 B A H << S+ 0 0 75 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.2 0.799 127.4 26.6 -82.5 -31.5 34.8 37.4 58.4 334 129 B Y H < S+ 0 0 128 -4,-1.8 -2,-0.2 1,-0.1 -3,-0.2 0.605 104.7 69.9-116.1 -17.7 32.7 38.0 55.3 335 130 B S < - 0 0 6 -4,-2.3 -1,-0.1 -5,-0.2 46,-0.1 -0.936 50.2-163.8-112.0 130.8 29.0 37.8 56.1 336 131 B P + 0 0 89 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.638 63.2 103.8 -78.1 -14.5 27.1 40.4 58.2 337 132 B F - 0 0 79 43,-0.4 43,-2.1 -6,-0.1 2,-0.3 -0.476 50.9-172.3 -80.9 138.8 24.2 38.0 58.7 338 133 B K E -T 379 0H 102 41,-0.3 2,-0.3 -2,-0.2 41,-0.2 -0.893 10.8-165.1-127.6 153.5 23.8 36.2 62.0 339 134 B Q E -T 378 0H 36 39,-2.3 39,-2.4 -2,-0.3 2,-0.4 -0.990 22.1-124.8-136.4 146.4 21.6 33.4 63.4 340 135 B K E -T 377 0H 143 -2,-0.3 37,-0.2 37,-0.2 2,-0.2 -0.767 28.2-126.4 -89.2 131.8 20.9 32.4 67.0 341 136 B L - 0 0 11 35,-3.0 34,-3.0 -2,-0.4 2,-0.3 -0.540 25.7-179.2 -78.0 144.0 21.5 28.8 67.8 342 137 B S + 0 0 80 67,-0.3 2,-0.4 32,-0.2 66,-0.4 -0.869 12.0 179.0-143.5 104.5 18.8 26.7 69.4 343 138 B L + 0 0 8 27,-0.4 66,-0.2 -2,-0.3 31,-0.1 -0.928 31.0 115.6-118.6 131.7 19.9 23.2 70.1 344 139 B S > + 0 0 44 64,-2.1 4,-1.7 -2,-0.4 5,-0.2 0.314 38.7 111.3-167.0 1.1 17.9 20.4 71.7 345 140 B Y H > S+ 0 0 57 63,-2.1 4,-1.1 1,-0.2 3,-0.1 0.922 82.0 43.3 -57.8 -51.9 17.4 17.6 69.1 346 141 B M H >4 S+ 0 0 9 62,-0.3 3,-0.6 1,-0.2 -1,-0.2 0.919 115.4 45.8 -64.0 -46.0 19.6 14.9 70.7 347 142 B S H 34 S+ 0 0 22 1,-0.2 -1,-0.2 19,-0.1 -2,-0.2 0.749 116.0 47.5 -75.0 -20.7 18.6 15.3 74.3 348 143 B T H 3< S+ 0 0 80 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.557 116.4 43.1 -93.7 -8.6 14.9 15.4 73.3 349 144 B H X< + 0 0 58 -4,-1.1 3,-1.9 -3,-0.6 4,-0.2 -0.359 66.0 146.4-123.9 53.0 15.1 12.3 71.0 350 145 B P G > + 0 0 35 0, 0.0 3,-1.6 0, 0.0 7,-0.6 0.777 63.1 71.6 -65.0 -23.5 17.2 10.0 73.1 351 146 B E G 3 S+ 0 0 108 1,-0.3 6,-0.0 5,-0.1 -2,-0.0 0.683 92.6 58.6 -60.3 -20.7 15.3 6.9 71.8 352 147 B L G < S+ 0 0 101 -3,-1.9 2,-0.5 -6,-0.2 -1,-0.3 0.536 95.6 72.3 -88.1 -8.0 17.1 7.5 68.4 353 148 B Y X> - 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