==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-JUN-12 4AX7 . COMPND 2 MOLECULE: EXOGLUCANASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: TRICHODERMA REESEI; . AUTHOR M.WU,W.NERINCKX,K.PIENS,T.ISHIDA,H.HANSSON,J.STAHLBERG,M.SAN . 1446 6 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52415.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 943 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 146 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 1.7 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 . 88 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 193 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 403 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 1.7 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 2 0 2 2 0 4 8 0 0 0 4 0 4 4 4 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 4 12 8 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 . 12 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 . 4 0 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 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 85 A T 0 0 149 0, 0.0 128,-0.1 0, 0.0 126,-0.1 0.000 360.0 360.0 360.0 132.3 36.8 14.4 -52.4 2 86 A A + 0 0 15 124,-0.1 128,-0.1 126,-0.1 125,-0.1 0.849 360.0 79.1 -74.1 -36.3 35.0 12.3 -49.7 3 87 A T - 0 0 82 126,-0.1 2,-0.3 1,-0.0 170,-0.1 -0.271 65.0-177.3 -70.4 162.4 36.4 14.4 -46.8 4 88 A Y - 0 0 52 168,-0.5 2,-0.4 170,-0.1 170,-0.1 -0.970 26.4-142.2-153.6 159.5 34.9 17.8 -46.0 5 89 A S S S- 0 0 117 -2,-0.3 2,-0.3 2,-0.2 -2,-0.0 -0.996 75.7 -13.1-126.3 139.6 35.0 20.8 -43.8 6 90 A G S S+ 0 0 39 -2,-0.4 -2,-0.1 2,-0.0 207,-0.0 -0.558 123.8 27.6 77.6-135.7 31.8 22.5 -42.6 7 91 A N > - 0 0 31 -2,-0.3 3,-1.7 1,-0.2 -2,-0.2 -0.470 62.7-157.9 -69.6 114.1 28.5 21.4 -44.3 8 92 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 167,-0.1 0.592 89.3 64.8 -69.8 -9.3 28.8 17.8 -45.6 9 93 A F T > S+ 0 0 10 2,-0.1 3,-0.7 288,-0.1 2,-0.4 0.568 82.3 95.1 -86.8 -9.2 26.0 18.4 -48.0 10 94 A V T < S+ 0 0 89 -3,-1.7 3,-0.1 1,-0.2 295,-0.0 -0.675 90.3 15.3 -83.4 132.2 28.1 21.0 -49.9 11 95 A G T 3 S+ 0 0 51 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.424 113.9 79.1 88.4 -0.6 30.0 19.7 -53.0 12 96 A V < - 0 0 18 -3,-0.7 -1,-0.3 67,-0.0 66,-0.2 -0.865 67.5-135.5-130.3 166.5 28.0 16.4 -53.2 13 97 A T E -a 78 0A 74 64,-2.2 66,-2.1 -2,-0.3 2,-0.1 -0.995 30.6-118.6-120.1 124.7 24.7 15.2 -54.5 14 98 A P E -a 79 0A 28 0, 0.0 2,-0.3 0, 0.0 66,-0.2 -0.416 30.4-122.7 -64.8 138.9 22.7 12.7 -52.4 15 99 A W - 0 0 52 64,-2.5 2,-0.6 -2,-0.1 33,-0.2 -0.628 9.8-136.4 -82.9 132.9 22.1 9.4 -54.0 16 100 A A - 0 0 32 -2,-0.3 33,-0.1 31,-0.2 2,-0.1 -0.837 33.8-130.8 -87.8 123.2 18.6 8.1 -54.6 17 101 A N > - 0 0 8 -2,-0.6 4,-1.5 31,-0.5 5,-0.1 -0.324 7.3-128.9 -85.4 158.2 18.8 4.4 -53.6 18 102 A A H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.700 100.7 65.8 -75.0 -22.3 17.6 1.3 -55.4 19 103 A Y H > S+ 0 0 77 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.971 108.9 36.1 -68.3 -54.0 15.6 -0.1 -52.4 20 104 A Y H > S+ 0 0 6 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.915 116.1 56.5 -62.3 -41.9 13.1 2.7 -52.3 21 105 A A H X S+ 0 0 28 -4,-1.5 4,-2.8 1,-0.2 -2,-0.2 0.896 107.7 48.4 -57.5 -40.9 13.1 2.9 -56.1 22 106 A S H X S+ 0 0 68 -4,-2.4 4,-2.7 2,-0.2 5,-0.4 0.904 109.6 52.2 -66.9 -42.5 12.2 -0.8 -56.2 23 107 A E H X>S+ 0 0 15 -4,-2.1 4,-2.1 2,-0.2 5,-1.2 0.942 114.8 42.2 -56.2 -48.3 9.4 -0.4 -53.7 24 108 A V H X>S+ 0 0 0 -4,-2.7 5,-3.1 3,-0.2 4,-0.8 0.947 119.8 42.2 -65.1 -49.6 7.9 2.5 -55.8 25 109 A S H <5S+ 0 0 43 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.813 127.6 28.3 -71.4 -31.3 8.4 0.8 -59.2 26 110 A S H <5S+ 0 0 56 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.606 132.1 29.1-110.0 -14.5 7.3 -2.7 -58.2 27 111 A L H <5S+ 0 0 89 -4,-2.1 -3,-0.2 -5,-0.4 -2,-0.1 0.715 131.0 27.3-111.6 -33.1 4.8 -2.1 -55.4 28 112 A A T >< > - 0 0 89 -2,-0.3 3,-1.1 883,-0.0 4,-0.8 -0.960 47.6 -29.6-135.6 154.1 -2.2 4.8 -64.1 34 118 A G H 3> S+ 0 0 56 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 -0.110 125.5 11.7 51.9-122.0 -1.5 7.8 -66.3 35 119 A A H 3> S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.877 131.3 49.9 -57.9 -46.1 -0.6 11.0 -64.5 36 120 A M H <> S+ 0 0 42 -3,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.883 108.6 53.7 -60.9 -41.0 -0.1 9.3 -61.1 37 121 A A H X S+ 0 0 21 -4,-0.8 4,-1.6 2,-0.2 -2,-0.2 0.915 110.7 45.4 -62.7 -45.3 2.1 6.6 -62.5 38 122 A T H X S+ 0 0 71 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.912 112.6 50.7 -62.9 -46.5 4.5 9.2 -64.1 39 123 A A H X S+ 0 0 3 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.889 107.7 54.1 -59.1 -42.0 4.6 11.3 -60.9 40 124 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.868 102.5 56.3 -62.9 -39.2 5.4 8.2 -58.9 41 125 A A H < S+ 0 0 32 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.891 107.2 51.8 -57.3 -38.5 8.4 7.4 -61.1 42 126 A A H >< S+ 0 0 43 -4,-1.4 3,-1.3 1,-0.2 4,-0.3 0.842 102.5 57.4 -66.9 -37.2 9.6 10.9 -60.2 43 127 A V H >< S+ 0 0 0 -4,-1.6 3,-1.8 1,-0.3 -1,-0.2 0.894 99.0 60.8 -60.9 -38.8 9.3 10.4 -56.5 44 128 A A T 3< S+ 0 0 7 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.637 99.6 57.3 -64.2 -14.9 11.6 7.4 -56.7 45 129 A K T < S+ 0 0 152 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.501 82.1 97.7 -95.4 -6.2 14.3 9.7 -58.0 46 130 A V S < S- 0 0 14 -3,-1.8 2,-0.3 -4,-0.3 -29,-0.2 -0.713 85.2-116.0 -79.7 125.3 14.2 12.0 -54.9 47 131 A P + 0 0 22 0, 0.0 262,-0.4 0, 0.0 2,-0.3 -0.487 42.6 170.9 -70.8 127.3 17.0 10.9 -52.6 48 132 A S - 0 0 2 -2,-0.3 -31,-0.5 -33,-0.2 262,-0.2 -0.922 38.1 -90.9-126.9 159.1 15.8 9.6 -49.3 49 133 A F - 0 0 1 260,-2.2 2,-0.5 -2,-0.3 33,-0.2 -0.384 31.3-132.0 -72.1 142.6 17.7 7.8 -46.5 50 134 A M E -b 82 0B 7 31,-2.3 33,-2.5 -2,-0.1 2,-0.5 -0.858 22.9-133.8 -92.6 129.0 18.1 4.0 -46.5 51 135 A W E -b 83 0B 33 -2,-0.5 2,-1.4 31,-0.2 3,-0.2 -0.721 9.3-156.7 -90.7 122.8 17.3 2.5 -43.0 52 136 A L E +b 84 0B 0 31,-3.0 33,-1.0 -2,-0.5 6,-0.1 -0.510 35.3 154.0 -89.3 65.4 19.7 -0.0 -41.6 53 137 A D + 0 0 39 -2,-1.4 47,-0.4 31,-0.1 2,-0.3 0.558 62.9 28.0 -80.9 -8.2 16.9 -1.4 -39.4 54 138 A T S > S- 0 0 43 -3,-0.2 3,-1.6 1,-0.1 4,-0.3 -0.968 81.8-115.2-140.5 162.4 18.4 -4.9 -39.2 55 139 A L G > S+ 0 0 21 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.886 116.1 62.0 -62.2 -35.9 22.0 -6.3 -39.3 56 140 A D G 3 S+ 0 0 53 1,-0.3 -1,-0.3 2,-0.2 4,-0.1 0.413 90.0 69.3 -78.3 8.5 21.0 -8.1 -42.5 57 141 A K G X> S+ 0 0 34 -3,-1.6 4,-1.3 1,-0.1 3,-1.0 0.581 77.6 83.6 -87.2 -16.8 20.3 -4.7 -44.1 58 142 A T H <> S+ 0 0 1 -3,-2.0 4,-2.1 -4,-0.3 -2,-0.2 0.824 81.3 59.6 -58.3 -34.7 24.1 -4.0 -44.1 59 143 A P H 3> S+ 0 0 13 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.819 104.6 52.0 -60.5 -29.8 24.6 -5.9 -47.4 60 144 A L H <> S+ 0 0 38 -3,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.822 105.4 53.3 -75.9 -33.0 22.2 -3.4 -49.0 61 145 A M H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 5,-0.2 0.939 110.5 48.4 -59.9 -47.2 24.2 -0.5 -47.6 62 146 A E H X S+ 0 0 25 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.899 110.3 50.6 -60.1 -45.2 27.3 -2.1 -49.2 63 147 A Q H X S+ 0 0 96 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.848 109.9 51.3 -58.6 -38.8 25.4 -2.5 -52.5 64 148 A T H X S+ 0 0 8 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.934 111.0 46.2 -68.2 -46.1 24.3 1.1 -52.4 65 149 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.860 110.1 55.0 -64.0 -37.2 27.9 2.3 -51.9 66 150 A A H X S+ 0 0 32 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.921 108.4 48.6 -59.2 -45.9 29.0 -0.0 -54.6 67 151 A D H X S+ 0 0 71 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.920 112.7 48.6 -58.7 -45.8 26.5 1.6 -57.0 68 152 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 10,-0.3 0.897 108.0 53.4 -62.7 -42.4 27.7 5.1 -55.9 69 153 A R H X S+ 0 0 50 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.929 110.7 47.9 -59.5 -45.3 31.4 4.2 -56.4 70 154 A T H X S+ 0 0 97 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.934 113.1 47.2 -57.3 -50.6 30.6 3.1 -59.9 71 155 A A H <>S+ 0 0 23 -4,-2.4 5,-2.8 1,-0.2 -2,-0.2 0.865 113.7 48.2 -60.9 -39.6 28.6 6.3 -60.6 72 156 A N H ><5S+ 0 0 41 -4,-2.9 3,-1.3 3,-0.2 -1,-0.2 0.813 106.0 55.9 -73.7 -32.3 31.4 8.4 -59.2 73 157 A K H 3<5S+ 0 0 143 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.830 107.6 53.7 -63.0 -31.5 34.1 6.6 -61.2 74 158 A N T 3<5S- 0 0 93 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.076 139.7 -76.4 -94.2 23.0 32.0 7.6 -64.2 75 159 A G T < 5S+ 0 0 42 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.317 88.7 136.6 104.4 -6.9 31.9 11.3 -63.4 76 160 A G < - 0 0 24 -5,-2.8 -1,-0.3 -6,-0.2 -8,-0.0 -0.254 41.7-160.0 -68.9 159.7 29.4 11.3 -60.6 77 161 A N + 0 0 84 2,-0.0 -64,-2.2 -63,-0.0 2,-0.2 -0.391 37.7 153.8-133.0 54.6 29.7 13.3 -57.3 78 162 A Y E -a 13 0A 82 -10,-0.3 51,-0.4 -66,-0.2 2,-0.3 -0.562 29.8-155.7 -96.4 152.2 27.2 11.3 -55.1 79 163 A A E -a 14 0A 0 -66,-2.1 -64,-2.5 -2,-0.2 2,-0.2 -0.923 19.4-122.2-122.5 147.5 27.0 10.8 -51.4 80 164 A G E - c 0 130B 0 49,-2.1 51,-3.2 -2,-0.3 2,-0.4 -0.618 19.3-158.2 -90.2 146.2 25.4 7.9 -49.5 81 165 A Q E + c 0 131B 8 -2,-0.2 -31,-2.3 -66,-0.2 2,-0.3 -0.976 20.2 161.7-131.3 119.0 22.6 8.4 -46.9 82 166 A F E -bc 50 132B 1 49,-2.4 51,-2.0 -2,-0.4 2,-0.5 -0.962 31.3-137.4-139.6 152.3 21.8 5.9 -44.2 83 167 A V E -bc 51 133B 0 -33,-2.5 -31,-3.0 -2,-0.3 2,-0.7 -0.954 14.0-146.1-110.4 124.0 20.0 5.6 -40.9 84 168 A V E +bc 52 134B 0 49,-2.7 51,-2.7 -2,-0.5 2,-0.1 -0.817 38.3 153.6 -84.7 115.1 21.6 3.6 -38.0 85 169 A Y + 0 0 16 -33,-1.0 -2,-0.1 -2,-0.7 49,-0.0 -0.566 25.8 97.5-154.1 74.3 18.5 2.2 -36.3 86 170 A D + 0 0 0 -2,-0.1 28,-0.1 13,-0.1 -1,-0.1 0.067 38.7 157.3-155.8 31.4 19.0 -1.1 -34.4 87 171 A L > - 0 0 1 1,-0.1 3,-1.0 -3,-0.1 14,-0.3 -0.220 53.1 -99.0 -53.9 149.8 19.4 -0.3 -30.7 88 172 A P T 3 S+ 0 0 0 0, 0.0 14,-0.3 0, 0.0 -1,-0.1 -0.549 114.1 16.7 -70.1 145.7 18.5 -3.1 -28.3 89 173 A D T 3 S- 0 0 29 12,-2.3 3,-0.3 -2,-0.2 13,-0.1 0.892 101.4-164.9 54.1 42.5 15.0 -2.5 -26.9 90 174 A R < + 0 0 10 -3,-1.0 9,-0.2 11,-0.5 -1,-0.1 -0.124 59.0 17.0 -56.5 148.8 14.6 -0.1 -29.8 91 175 A D S > S- 0 0 20 46,-0.3 3,-2.0 45,-0.3 6,-0.2 0.909 77.3-175.5 58.7 50.6 11.8 2.4 -29.9 92 176 A a T 3 S+ 0 0 3 45,-0.3 59,-0.3 -3,-0.3 58,-0.2 0.662 71.7 50.0 -63.8 -24.6 11.2 2.0 -26.2 93 177 A A T 3 S+ 0 0 36 44,-0.2 -1,-0.3 57,-0.1 2,-0.3 0.404 110.5 55.4 -93.5 2.0 8.1 4.3 -25.8 94 178 A A < - 0 0 7 -3,-2.0 234,-0.0 -4,-0.1 232,-0.0 -0.832 63.1-149.8-129.2 167.4 6.2 2.6 -28.6 95 179 A L S > S+ 0 0 104 -2,-0.3 3,-0.6 231,-0.1 -1,-0.1 0.555 82.2 74.8-110.4 -11.5 5.1 -0.9 -29.6 96 180 A A T 3 S+ 0 0 1 1,-0.2 247,-0.5 -5,-0.1 223,-0.2 0.777 98.0 39.0 -75.3 -30.6 5.2 -0.6 -33.4 97 181 A S T 3 + 0 0 22 -6,-0.2 -1,-0.2 -7,-0.1 -2,-0.1 -0.021 69.1 154.5-123.1 27.1 8.9 -0.7 -34.2 98 182 A N < - 0 0 63 -3,-0.6 -7,-0.1 -7,-0.1 2,-0.1 -0.337 32.4-146.1 -57.5 135.8 10.4 -3.2 -31.8 99 183 A G - 0 0 18 2,-0.3 -10,-0.1 -12,-0.2 -45,-0.1 -0.210 23.9 -89.2-103.7-170.0 13.7 -4.6 -33.3 100 184 A E S S+ 0 0 93 -47,-0.4 2,-0.4 -2,-0.1 -46,-0.1 0.655 99.4 67.1 -78.0 -19.2 15.8 -7.7 -33.4 101 185 A Y - 0 0 20 -14,-0.3 -12,-2.3 -15,-0.1 -11,-0.5 -0.861 56.4-172.9-111.6 141.0 17.9 -7.1 -30.3 102 186 A S > > - 0 0 44 -2,-0.4 5,-1.5 -14,-0.3 3,-1.2 -0.981 30.4-129.4-129.9 143.1 17.0 -6.9 -26.6 103 187 A I G > 5S+ 0 0 52 -2,-0.4 3,-0.8 1,-0.3 5,-0.3 0.881 109.7 56.1 -55.1 -41.2 19.1 -5.9 -23.6 104 188 A A G 3 5S+ 0 0 105 1,-0.3 -1,-0.3 2,-0.2 2,-0.1 0.723 105.8 52.3 -65.5 -23.0 18.2 -9.1 -21.7 105 189 A D G < 5S- 0 0 109 -3,-1.2 -1,-0.3 0, 0.0 -3,-0.2 -0.340 133.7 -80.5-111.3 49.3 19.4 -11.3 -24.6 106 190 A G T <>5S+ 0 0 38 -3,-0.8 4,-2.1 -5,-0.1 -3,-0.2 0.787 78.0 154.7 62.2 32.5 22.9 -9.8 -25.0 107 191 A G H >< + 0 0 0 -5,-1.5 4,-2.6 -4,-0.3 -4,-0.2 0.800 63.9 55.4 -63.3 -36.6 21.6 -6.9 -27.0 108 192 A V H > S+ 0 0 24 -5,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.950 110.4 45.0 -63.1 -49.6 24.4 -4.4 -26.2 109 193 A A H > S+ 0 0 60 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.908 114.5 50.1 -60.4 -42.2 27.1 -6.8 -27.4 110 194 A K H X S+ 0 0 60 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.889 108.7 51.9 -62.2 -41.0 25.0 -7.6 -30.5 111 195 A Y H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.915 106.6 54.0 -61.7 -40.9 24.6 -3.8 -31.2 112 196 A K H X S+ 0 0 59 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.906 107.8 50.1 -61.4 -41.1 28.3 -3.3 -31.0 113 197 A N H X S+ 0 0 7 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.883 108.9 52.2 -60.7 -40.8 28.8 -6.0 -33.6 114 198 A Y H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.933 111.5 46.4 -60.7 -47.2 26.2 -4.3 -35.8 115 199 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.905 109.4 54.8 -60.8 -43.6 28.2 -1.0 -35.5 116 200 A D H X S+ 0 0 50 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.885 106.9 51.5 -55.5 -41.3 31.4 -2.9 -36.2 117 201 A T H X S+ 0 0 1 -4,-2.0 4,-1.7 2,-0.2 547,-0.3 0.925 110.8 46.9 -64.0 -46.2 29.8 -4.1 -39.4 118 202 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.915 109.9 54.0 -62.6 -43.5 28.8 -0.6 -40.5 119 203 A R H X S+ 0 0 81 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.899 107.0 51.4 -56.7 -44.3 32.3 0.8 -39.6 120 204 A Q H X S+ 0 0 73 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.879 110.2 49.0 -61.2 -39.4 33.9 -1.9 -41.8 121 205 A I H X S+ 0 0 2 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.919 112.4 47.6 -63.9 -44.8 31.7 -0.9 -44.8 122 206 A V H < S+ 0 0 0 -4,-2.4 -2,-0.2 2,-0.2 6,-0.2 0.822 111.3 51.8 -67.7 -32.5 32.4 2.8 -44.3 123 207 A V H >< S+ 0 0 66 -4,-2.2 3,-1.1 -5,-0.2 -2,-0.2 0.928 110.2 48.3 -67.8 -45.5 36.2 2.0 -44.1 124 208 A E H 3< S+ 0 0 90 -4,-2.4 2,-0.4 1,-0.3 3,-0.3 0.923 116.3 44.2 -57.4 -45.0 35.9 0.0 -47.4 125 209 A Y T >< + 0 0 24 -4,-2.5 3,-1.9 1,-0.2 -1,-0.3 -0.272 68.3 137.4-100.0 47.4 34.1 2.9 -49.0 126 210 A S T < + 0 0 75 -3,-1.1 -1,-0.2 -2,-0.4 -2,-0.1 0.711 66.5 68.1 -63.6 -19.9 36.3 5.7 -47.6 127 211 A D T 3 S+ 0 0 64 -3,-0.3 2,-0.5 -4,-0.1 -1,-0.3 0.547 91.7 71.4 -75.7 -9.3 36.1 7.2 -51.1 128 212 A I S < S- 0 0 1 -3,-1.9 2,-0.2 -6,-0.2 -49,-0.1 -0.935 83.4-125.5-116.2 127.8 32.4 8.1 -50.6 129 213 A R - 0 0 15 -2,-0.5 -49,-2.1 -51,-0.4 2,-0.5 -0.523 30.9-156.5 -67.4 137.5 31.0 10.8 -48.3 130 214 A T E -cd 80 174B 0 43,-3.0 45,-2.3 -51,-0.2 2,-0.5 -0.974 9.2-160.1-131.6 118.4 28.5 9.1 -46.0 131 215 A L E -cd 81 175B 1 -51,-3.2 -49,-2.4 -2,-0.5 2,-0.4 -0.876 17.5-171.6-105.7 123.4 25.7 11.0 -44.3 132 216 A L E -cd 82 176B 0 43,-3.1 45,-2.1 -2,-0.5 2,-0.5 -0.934 22.1-155.3-125.0 136.7 24.3 9.2 -41.3 133 217 A V E -cd 83 177B 0 -51,-2.0 -49,-2.7 -2,-0.4 2,-0.8 -0.953 26.6-139.0-102.9 130.0 21.3 9.7 -39.0 134 218 A I E -cd 84 178B 2 43,-2.7 45,-2.3 -2,-0.5 82,-0.1 -0.812 55.7 -38.5-101.7 110.5 21.9 8.1 -35.6 135 219 A E > - 0 0 1 -51,-2.7 3,-0.6 -2,-0.8 4,-0.5 0.893 61.6-141.0 53.0 72.0 19.1 6.3 -33.9 136 220 A P T 3 S+ 0 0 9 0, 0.0 -45,-0.3 0, 0.0 -1,-0.1 -0.255 82.2 14.7 -56.6 144.1 15.7 8.0 -34.3 137 221 A A T 3 S+ 0 0 19 1,-0.1 -45,-0.3 82,-0.1 -46,-0.3 0.896 102.2 97.1 53.4 48.8 13.5 7.9 -31.2 138 222 A S S <> S+ 0 0 3 -3,-0.6 4,-0.9 41,-0.1 3,-0.5 0.554 85.6 28.7-119.8 -71.5 16.2 7.0 -28.8 139 223 A L H >> S+ 0 0 2 -4,-0.5 4,-0.9 1,-0.2 3,-0.6 0.857 117.8 59.1 -61.1 -38.7 17.6 10.0 -27.0 140 224 A A H >> S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 3,-0.6 0.861 102.4 55.0 -58.2 -36.2 14.3 11.9 -27.3 141 225 A N H 3> S+ 0 0 4 -3,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.797 102.1 56.7 -65.9 -28.7 12.7 9.1 -25.3 142 226 A L H << S+ 0 0 9 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.715 105.5 52.9 -75.2 -20.0 15.2 9.6 -22.5 143 227 A V H << S+ 0 0 31 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.891 130.0 9.2 -78.7 -40.7 14.1 13.2 -22.3 144 228 A T H < S+ 0 0 49 -4,-1.4 3,-0.3 1,-0.1 -2,-0.2 0.584 122.7 55.4-120.0 -16.6 10.3 12.6 -21.9 145 229 A N >< + 0 0 47 -4,-2.4 3,-2.0 -5,-0.3 6,-0.3 0.061 54.1 117.5-119.9 29.2 9.6 8.9 -21.4 146 230 A L T 3 S+ 0 0 72 1,-0.3 6,-0.2 -4,-0.2 -1,-0.2 0.637 73.3 71.5 -66.5 -10.9 11.7 7.6 -18.4 147 231 A G T 3 S+ 0 0 77 -3,-0.3 -1,-0.3 4,-0.1 -2,-0.1 0.477 79.6 86.2 -78.7 -5.1 8.2 6.9 -16.9 148 232 A T S X> S- 0 0 45 -3,-2.0 4,-2.5 1,-0.1 3,-1.0 -0.899 79.9-142.9 -95.7 117.3 7.9 4.1 -19.4 149 233 A P H 3> S+ 0 0 92 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.856 99.4 56.1 -49.9 -43.3 9.6 1.0 -17.8 150 234 A K H 3> S+ 0 0 58 -58,-0.2 4,-0.6 1,-0.2 -57,-0.1 0.868 112.5 42.4 -57.5 -39.0 11.1 -0.1 -21.1 151 235 A a H <> S+ 0 0 0 -3,-1.0 4,-1.2 -6,-0.3 3,-0.5 0.917 113.9 50.3 -73.8 -44.2 12.8 3.3 -21.6 152 236 A A H >< S+ 0 0 40 -4,-2.5 3,-0.6 -7,-0.3 4,-0.4 0.921 113.0 46.8 -56.9 -47.2 13.9 3.5 -18.0 153 237 A N H 3< S+ 0 0 126 -4,-3.1 4,-0.3 1,-0.2 -1,-0.2 0.633 115.4 47.8 -70.4 -16.3 15.4 -0.0 -18.2 154 238 A A H 3X S+ 0 0 0 -4,-0.6 4,-3.1 -3,-0.5 5,-0.2 0.579 82.6 94.8 -96.4 -14.1 17.1 0.9 -21.5 155 239 A Q H S+ 0 0 90 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.912 115.6 46.5 -62.3 -46.2 22.0 2.8 -19.7 157 241 A A H > S+ 0 0 4 -4,-0.3 4,-3.2 2,-0.2 5,-0.3 0.905 110.3 53.5 -63.1 -44.5 22.2 0.6 -22.8 158 242 A Y H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.3 0.933 111.3 45.3 -55.4 -49.6 21.1 3.5 -25.1 159 243 A L H X S+ 0 0 58 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.880 115.5 46.9 -65.2 -39.0 23.8 5.8 -23.8 160 244 A E H X S+ 0 0 81 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.949 116.1 44.8 -64.9 -49.2 26.5 3.0 -24.1 161 245 A C H X S+ 0 0 0 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.879 113.0 48.9 -65.8 -42.3 25.4 2.0 -27.6 162 246 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.3 5,-0.2 0.900 110.2 52.7 -65.6 -38.8 25.0 5.6 -28.9 163 247 A N H X S+ 0 0 44 -4,-1.8 4,-1.6 -5,-0.3 5,-0.2 0.928 111.1 47.5 -58.5 -44.1 28.5 6.4 -27.5 164 248 A Y H X S+ 0 0 47 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.883 111.6 50.4 -64.4 -41.2 29.8 3.3 -29.4 165 249 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.932 113.5 43.3 -63.5 -47.4 28.1 4.3 -32.6 166 250 A V H < S+ 0 0 0 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.736 118.8 43.6 -76.6 -21.8 29.4 7.9 -32.7 167 251 A T H >< S+ 0 0 43 -4,-1.6 3,-1.0 -5,-0.2 -2,-0.2 0.887 116.8 45.1 -84.4 -43.8 32.9 6.9 -31.7 168 252 A Q H 3< S+ 0 0 55 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.722 116.4 45.4 -75.6 -22.5 33.2 3.9 -34.0 169 253 A L T 3< S+ 0 0 0 -4,-1.6 2,-1.7 -5,-0.2 -1,-0.3 0.269 78.7 118.2-101.9 11.5 31.7 5.7 -37.0 170 254 A N < + 0 0 63 -3,-1.0 40,-0.1 -5,-0.1 -4,-0.1 -0.602 44.5 142.7 -78.2 83.9 33.9 8.8 -36.4 171 255 A L > - 0 0 29 -2,-1.7 3,-1.5 40,-0.1 -2,-0.1 -0.823 64.5-106.3-129.9 161.9 35.7 8.6 -39.7 172 256 A P T 3 S+ 0 0 93 0, 0.0 -168,-0.5 0, 0.0 -2,-0.0 0.764 116.8 45.8 -67.1 -24.2 36.9 11.2 -42.2 173 257 A N T 3 S+ 0 0 4 -170,-0.1 -43,-3.0 -51,-0.1 2,-0.3 0.397 99.0 94.0 -95.5 3.5 34.2 10.6 -44.9 174 258 A V E < -d 130 0B 0 -3,-1.5 2,-0.4 -45,-0.2 -43,-0.2 -0.757 46.6-173.9-105.6 137.5 31.3 10.5 -42.4 175 259 A A E -d 131 0B 0 -45,-2.3 -43,-3.1 -2,-0.3 2,-0.4 -0.992 17.2-165.2-120.2 126.2 28.9 13.2 -41.2 176 260 A M E -de 132 212B 0 35,-3.2 37,-1.7 -2,-0.4 38,-1.3 -0.865 10.2-168.1-108.9 142.6 26.6 12.0 -38.3 177 261 A Y E -de 133 214B 0 -45,-2.1 -43,-2.7 -2,-0.4 38,-0.3 -0.983 19.9-136.9-127.5 117.7 23.5 13.7 -37.1 178 262 A L E -de 134 215B 1 36,-2.5 38,-3.2 -2,-0.4 -43,-0.1 -0.519 30.0-108.2 -68.5 135.6 22.0 12.5 -33.8 179 263 A D E + e 0 216B 6 -45,-2.3 -40,-0.2 36,-0.2 38,-0.2 -0.466 38.8 179.7 -65.8 137.8 18.2 12.1 -33.9 180 264 A A - 0 0 0 36,-2.9 6,-0.2 1,-0.4 -1,-0.1 -0.091 31.9-122.7-136.1 35.8 16.7 14.9 -31.8 181 265 A G - 0 0 3 36,-0.1 37,-2.2 4,-0.1 38,-0.5 -0.277 40.7 -87.5 58.9-140.3 12.9 14.5 -32.0 182 266 A H >>> - 0 0 15 35,-0.2 3,-2.4 36,-0.2 4,-2.3 -0.934 39.6 -76.8-162.0 174.3 10.9 17.5 -33.3 183 267 A A H 3>5S+ 0 0 0 1,-0.3 4,-0.7 -2,-0.3 5,-0.2 0.833 126.9 49.3 -53.4 -38.9 9.2 20.7 -32.4 184 268 A G H 345S+ 0 0 10 3,-0.1 -1,-0.3 2,-0.1 -3,-0.1 0.358 118.9 38.2 -84.0 3.8 6.2 18.9 -30.9 185 269 A W H <45S+ 0 0 52 -3,-2.4 -2,-0.2 3,-0.0 3,-0.2 0.714 135.9 8.3-112.4 -62.2 8.4 16.6 -28.9 186 270 A L H <5S+ 0 0 0 -4,-2.3 -3,-0.2 -6,-0.2 9,-0.2 0.406 110.0 80.5-108.9 0.1 11.3 18.5 -27.5 187 271 A G << + 0 0 2 -5,-0.9 52,-0.3 -4,-0.7 -1,-0.2 0.647 64.7 112.1 -79.8 -17.7 10.3 22.1 -28.5 188 272 A W S >> S- 0 0 70 -3,-0.2 3,-1.8 -5,-0.2 4,-1.2 -0.317 83.6-114.5 -53.9 139.0 8.0 22.3 -25.5 189 273 A P H >> S+ 0 0 102 0, 0.0 4,-0.6 0, 0.0 3,-0.5 0.850 113.6 47.3 -51.9 -43.3 9.4 24.9 -23.1 190 274 A A H 34 S+ 0 0 81 1,-0.2 -2,-0.1 2,-0.1 -3,-0.1 0.656 112.7 50.7 -72.9 -15.4 10.1 22.4 -20.3 191 275 A N H <> S+ 0 0 38 -3,-1.8 4,-2.1 2,-0.1 -1,-0.2 0.665 90.2 77.3 -96.4 -18.3 11.8 19.9 -22.6 192 276 A Q H S+ 0 0 58 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.905 114.1 50.3 -60.2 -37.8 17.0 18.9 -20.7 195 279 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.966 111.7 46.2 -60.4 -54.2 17.1 17.8 -24.4 196 280 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.895 112.0 52.9 -54.9 -41.9 20.0 20.2 -25.1 197 281 A Q H X S+ 0 0 90 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.904 110.7 46.7 -60.9 -44.5 21.8 19.0 -22.0 198 282 A L H X S+ 0 0 32 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.922 113.0 47.8 -66.1 -45.9 21.5 15.4 -23.1 199 283 A F H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.919 114.8 45.5 -62.4 -45.5 22.6 16.0 -26.7 200 284 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.2 -1,-0.2 0.857 111.6 53.2 -66.5 -37.1 25.7 18.0 -25.5 201 285 A N H X S+ 0 0 70 -4,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.889 108.5 49.1 -63.5 -40.5 26.5 15.4 -22.9 202 286 A V H X S+ 0 0 11 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.930 114.3 47.4 -61.6 -43.6 26.4 12.6 -25.5 203 287 A Y H <>S+ 0 0 31 -4,-2.1 5,-2.2 2,-0.2 3,-0.4 0.931 115.7 42.3 -62.9 -50.9 28.7 14.8 -27.6 204 288 A K H ><5S+ 0 0 90 -4,-3.0 3,-1.6 1,-0.2 -1,-0.2 0.882 111.7 55.7 -64.4 -39.4 31.1 15.7 -24.8 205 289 A N H 3<5S+ 0 0 117 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.738 103.0 55.5 -66.7 -25.6 31.1 12.1 -23.5 206 290 A A T 3<5S- 0 0 6 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.162 126.2-101.8 -91.1 16.1 32.2 10.8 -26.9 207 291 A S T < 5 - 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