==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-FEB-03 1OC7 . COMPND 2 MOLECULE: CELLOBIOHYDROLASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMICOLA INSOLENS; . AUTHOR A.VARROT,T.P.FRANDSEN,I.VON OSSOWSKI,V.BOYER,H.DRIGUEZ, . 364 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14258.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.6 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 . 24 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 0 1 0 0 0 2 1 0 0 0 2 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 PARALLEL BRIDGES PER LADDER . 3 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 . 1 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 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 87 A A 0 0 83 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.2 -2.9 35.7 18.3 2 88 A P - 0 0 94 0, 0.0 2,-0.3 0, 0.0 174,-0.1 -0.292 360.0-162.3 -76.7 169.1 -3.9 32.1 18.3 3 89 A Y - 0 0 21 172,-0.5 2,-0.4 174,-0.1 174,-0.1 -0.979 9.8-138.6-144.7 159.2 -3.4 29.7 15.4 4 90 A N - 0 0 141 -2,-0.3 2,-0.1 2,-0.1 0, 0.0 -0.900 62.7 -18.3-114.7 144.2 -4.8 26.3 14.4 5 91 A G S S+ 0 0 38 -2,-0.4 -2,-0.1 2,-0.0 0, 0.0 -0.311 115.8 21.8 72.0-143.9 -2.8 23.5 13.0 6 92 A N > - 0 0 9 1,-0.2 3,-1.7 -2,-0.1 -2,-0.1 -0.506 62.5-151.0 -68.7 118.0 0.7 23.8 11.4 7 93 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.661 94.5 61.7 -66.2 -16.7 2.3 27.0 12.6 8 94 A F T > S+ 0 0 6 299,-0.1 3,-0.7 2,-0.1 2,-0.3 0.577 85.9 94.8 -81.6 -13.9 4.3 27.2 9.4 9 95 A E T < S+ 0 0 113 -3,-1.7 3,-0.1 1,-0.2 299,-0.0 -0.636 89.6 13.3 -81.6 136.1 1.1 27.5 7.4 10 96 A G T 3 S+ 0 0 66 -2,-0.3 70,-0.4 1,-0.2 2,-0.3 0.529 110.7 84.3 84.0 6.6 -0.2 31.0 6.5 11 97 A V < - 0 0 19 -3,-0.7 2,-0.3 68,-0.1 -1,-0.2 -0.923 69.3-126.5-130.2 158.9 3.0 32.9 7.4 12 98 A Q E -a 81 0A 66 68,-2.7 70,-2.3 -2,-0.3 2,-0.5 -0.698 32.0-117.7 -88.2 162.9 6.3 33.9 5.9 13 99 A L E -a 82 0A 27 -2,-0.3 2,-0.3 68,-0.2 70,-0.2 -0.891 25.1-126.4-107.2 124.5 9.5 33.0 7.7 14 100 A W - 0 0 33 68,-2.2 2,-0.7 -2,-0.5 70,-0.2 -0.513 10.1-145.7 -68.2 132.5 11.7 36.0 8.8 15 101 A A - 0 0 9 -2,-0.3 34,-0.1 32,-0.2 -1,-0.1 -0.887 32.8-129.6 -97.6 112.8 15.3 35.8 7.7 16 102 A N > - 0 0 9 -2,-0.7 4,-1.9 32,-0.4 5,-0.1 -0.163 6.0-126.8 -78.3 159.3 17.0 37.5 10.6 17 103 A N H > S+ 0 0 58 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.667 102.6 66.2 -75.8 -19.9 19.5 40.3 10.6 18 104 A Y H > S+ 0 0 83 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.976 109.9 36.3 -62.6 -56.7 22.1 38.5 12.6 19 105 A Y H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.920 116.7 53.9 -63.7 -42.0 22.8 35.9 9.9 20 106 A R H X S+ 0 0 48 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.922 109.3 49.1 -58.9 -41.3 22.3 38.6 7.2 21 107 A S H X>S+ 0 0 53 -4,-2.2 4,-2.8 2,-0.2 5,-0.6 0.870 107.9 54.0 -66.7 -38.9 25.0 40.7 8.9 22 108 A E H X>S+ 0 0 10 -4,-2.1 5,-1.9 1,-0.2 4,-1.9 0.958 113.2 43.0 -56.7 -48.5 27.3 37.8 9.1 23 109 A V H <>S+ 0 0 0 -4,-2.5 5,-3.0 3,-0.2 -2,-0.2 0.941 121.3 38.7 -64.4 -50.2 27.0 37.2 5.3 24 110 A H H <5S+ 0 0 74 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.873 127.6 30.2 -72.9 -35.9 27.2 40.9 4.4 25 111 A T H <5S+ 0 0 91 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.743 134.4 23.6 -95.7 -26.6 29.9 42.1 6.8 26 112 A L T < - 0 0 76 1,-0.2 4,-2.5 2,-0.1 5,-0.2 -0.500 68.0-143.1 -74.2 124.0 34.0 36.2 -7.6 34 120 A P H > S+ 0 0 103 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.904 97.6 47.3 -54.9 -45.4 30.8 38.0 -8.9 35 121 A A H > S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.938 113.0 48.2 -68.8 -37.7 28.6 34.9 -9.1 36 122 A L H > S+ 0 0 37 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.877 109.9 53.3 -69.0 -35.1 29.6 33.6 -5.6 37 123 A R H X S+ 0 0 105 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.915 110.6 46.8 -62.2 -45.9 29.0 37.1 -4.1 38 124 A A H X S+ 0 0 63 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.904 112.4 49.6 -61.2 -42.6 25.5 37.1 -5.7 39 125 A A H X S+ 0 0 10 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.904 110.4 51.5 -61.1 -42.9 24.9 33.6 -4.4 40 126 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.931 107.7 51.6 -59.3 -47.4 26.0 34.7 -0.9 41 127 A S H < S+ 0 0 46 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.890 109.9 50.8 -57.7 -39.1 23.7 37.6 -1.0 42 128 A A H >< S+ 0 0 39 -4,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.903 106.1 53.1 -66.6 -40.7 20.8 35.3 -1.8 43 129 A V H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.3 -1,-0.2 0.846 97.5 66.6 -69.0 -26.9 21.6 32.8 1.0 44 130 A A T 3< S+ 0 0 1 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.713 98.5 55.2 -59.0 -20.4 21.5 35.7 3.5 45 131 A E T < S+ 0 0 100 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.377 81.4 104.1 -94.5 1.4 17.8 35.9 2.6 46 132 A V S < S- 0 0 14 -3,-2.0 2,-1.1 -4,-0.1 -30,-0.1 -0.733 78.9-121.1 -85.0 128.4 17.0 32.3 3.4 47 133 A P + 0 0 22 0, 0.0 264,-0.5 0, 0.0 2,-0.2 -0.590 41.2 169.8 -84.1 103.9 15.2 32.2 6.8 48 134 A S - 0 0 3 -2,-1.1 -32,-0.4 1,-0.1 36,-0.2 -0.612 39.3 -86.8-103.9 159.3 17.1 30.1 9.3 49 135 A F - 0 0 1 262,-2.6 2,-0.5 -2,-0.2 36,-0.2 -0.334 32.5-134.2 -63.2 148.0 16.6 29.7 13.1 50 136 A Q E -b 85 0B 9 34,-2.4 36,-2.5 263,-0.1 2,-0.5 -0.898 23.2-137.0-102.5 129.1 18.1 32.1 15.5 51 137 A W E -b 86 0B 37 -2,-0.5 2,-1.2 34,-0.2 3,-0.2 -0.783 16.6-160.7 -98.6 128.8 19.8 30.4 18.5 52 138 A L E +b 87 0B 0 34,-3.2 36,-1.3 -2,-0.5 -1,-0.1 -0.546 41.5 145.3 -95.3 67.8 19.5 31.5 22.2 53 139 A D + 0 0 47 -2,-1.2 2,-0.3 34,-0.1 50,-0.3 0.499 62.7 37.8 -91.6 -1.6 22.6 29.5 22.9 54 140 A R S > S- 0 0 101 -3,-0.2 3,-2.0 48,-0.1 4,-0.3 -0.980 85.3-119.7-143.3 145.3 23.9 31.9 25.6 55 141 A N G >> S+ 0 0 66 -2,-0.3 3,-2.0 1,-0.3 4,-0.5 0.816 107.8 68.2 -56.6 -34.3 21.9 33.8 28.1 56 142 A V G 34 S+ 0 0 92 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.706 88.5 68.1 -60.6 -19.9 23.1 37.2 26.8 57 143 A T G <4>S+ 0 0 0 -3,-2.0 5,-2.4 3,-0.2 6,-0.3 0.680 86.0 70.4 -71.6 -19.9 21.1 36.5 23.6 58 144 A V T <4>S+ 0 0 2 -3,-2.0 5,-1.0 -4,-0.3 -1,-0.2 0.963 106.3 32.3 -67.4 -52.0 17.7 36.8 25.4 59 145 A D T <5S+ 0 0 90 -4,-0.5 -1,-0.2 3,-0.1 -2,-0.2 0.400 132.8 34.1 -87.6 5.7 17.7 40.5 26.1 60 146 A T T >5S+ 0 0 59 -4,-0.3 4,-2.6 -3,-0.2 5,-0.2 0.608 125.7 21.9-113.4 -87.2 19.6 41.3 22.9 61 147 A L H >5S+ 0 0 21 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.833 123.6 50.0 -57.7 -47.4 18.9 39.1 19.8 62 148 A L H >S+ 0 0 21 -4,-2.3 5,-2.0 2,-0.2 -2,-0.2 0.899 113.9 47.6 -62.9 -37.7 7.9 44.4 9.1 73 159 A N H ><5S+ 0 0 20 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.910 110.9 49.4 -72.8 -42.2 4.4 43.1 9.8 74 160 A Q H 3<5S+ 0 0 146 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.781 106.4 59.9 -64.2 -26.1 3.0 46.5 10.8 75 161 A A T 3<5S- 0 0 84 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.231 131.6 -90.5 -87.5 12.7 4.6 47.8 7.6 76 162 A G T < 5 + 0 0 55 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.581 57.0 175.0 99.2 15.9 2.4 45.4 5.6 77 163 A A < - 0 0 25 -5,-2.0 -1,-0.2 1,-0.1 4,-0.1 -0.286 31.0-129.7 -53.4 133.9 4.3 42.1 5.2 78 164 A N S S+ 0 0 142 1,-0.1 2,-0.2 2,-0.1 -67,-0.1 -0.947 91.7 20.9-141.0 114.7 1.9 39.7 3.5 79 165 A P S S- 0 0 51 0, 0.0 -68,-0.1 0, 0.0 -1,-0.1 0.631 113.0-102.3 -69.8 169.6 1.5 37.1 4.8 80 166 A Q - 0 0 95 -70,-0.4 -68,-2.7 -2,-0.2 2,-0.2 -0.264 35.1-114.5 -52.6 143.4 2.8 38.0 8.2 81 167 A Y E -a 12 0A 59 -12,-0.2 51,-0.4 -70,-0.2 2,-0.3 -0.579 27.4-155.5 -75.4 147.0 6.4 37.0 9.2 82 168 A A E -a 13 0A 0 -70,-2.3 -68,-2.2 -2,-0.2 2,-0.2 -0.892 14.2-120.2-117.5 154.8 6.9 34.4 11.9 83 169 A A E - c 0 133B 2 49,-2.4 51,-2.8 -2,-0.3 2,-0.4 -0.628 13.0-157.0 -92.2 149.0 10.0 33.9 14.1 84 170 A Q E + c 0 134B 7 -2,-0.2 -34,-2.4 -36,-0.2 2,-0.4 -0.989 23.3 171.4-127.9 114.8 12.1 30.7 14.4 85 171 A I E -bc 50 135B 2 49,-2.7 51,-2.1 -2,-0.4 2,-0.5 -0.969 25.1-145.3-133.8 138.0 14.1 30.5 17.7 86 172 A V E -bc 51 136B 0 -36,-2.5 -34,-3.2 -2,-0.4 2,-0.6 -0.934 8.6-150.8-101.8 128.6 16.2 27.7 19.3 87 173 A V E +bc 52 137B 0 49,-2.8 51,-2.8 -2,-0.5 -34,-0.1 -0.884 33.3 155.5 -93.4 115.9 16.2 27.4 23.2 88 174 A Y + 0 0 31 -36,-1.3 49,-0.1 -2,-0.6 -2,-0.0 -0.476 27.6 97.3-151.1 72.0 19.6 26.0 24.0 89 175 A D + 0 0 0 13,-0.1 -1,-0.1 -35,-0.1 4,-0.1 0.136 35.9 155.3-151.2 31.2 21.0 26.6 27.4 90 176 A L > - 0 0 0 -3,-0.1 3,-0.8 1,-0.1 14,-0.3 -0.236 50.9-105.3 -55.1 145.9 20.4 23.7 29.8 91 177 A P T 3 S+ 0 0 0 0, 0.0 14,-0.3 0, 0.0 -1,-0.1 -0.426 109.5 23.0 -71.3 152.0 22.8 23.4 32.6 92 178 A D T 3 S- 0 0 37 12,-2.4 3,-0.3 1,-0.1 13,-0.1 0.901 100.0-165.6 51.8 43.7 25.4 20.6 32.2 93 179 A R < + 0 0 14 -3,-0.8 9,-0.2 11,-0.6 -1,-0.1 -0.160 59.0 15.6 -61.2 146.9 24.5 21.0 28.5 94 180 A D S > S- 0 0 9 46,-0.5 3,-2.2 45,-0.2 -1,-0.2 0.948 75.6-172.4 57.5 56.2 25.6 18.4 26.0 95 181 A a T 3 S+ 0 0 4 -3,-0.3 59,-0.3 1,-0.3 58,-0.2 0.677 77.4 43.3 -60.9 -26.7 26.3 15.9 28.8 96 182 A A T 3 S+ 0 0 35 44,-0.2 -1,-0.3 57,-0.1 -2,-0.1 0.395 89.1 115.7 -97.6 1.3 27.9 13.2 26.5 97 183 A A S < S- 0 0 40 -3,-2.2 3,-0.2 1,-0.1 233,-0.0 -0.351 71.8-128.4 -72.2 152.3 30.1 15.6 24.5 98 184 A A S S+ 0 0 57 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.838 99.8 4.7 -64.2 -33.5 33.8 15.5 24.5 99 185 A A S S- 0 0 23 229,-0.1 2,-0.4 -5,-0.1 -1,-0.3 -0.984 75.4-151.8-148.2 140.0 33.7 19.3 25.3 100 186 A S - 0 0 27 -2,-0.3 -6,-0.1 -3,-0.2 -8,-0.0 -0.953 13.6-161.1-116.3 143.1 30.7 21.5 25.9 101 187 A N + 0 0 66 -2,-0.4 -1,-0.1 227,-0.0 -7,-0.1 0.325 51.9 128.2 -93.8 3.1 30.3 25.2 25.2 102 188 A G - 0 0 23 -9,-0.2 -2,-0.1 1,-0.1 -48,-0.1 -0.357 52.5-148.6 -64.2 136.6 27.3 25.4 27.6 103 189 A E + 0 0 85 -50,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.666 68.5 70.3 -82.2 -20.0 27.8 28.2 30.1 104 190 A W - 0 0 41 -14,-0.3 -12,-2.4 -15,-0.1 -11,-0.6 -0.847 57.4-160.5-112.1 146.1 25.9 26.8 33.1 105 191 A A > > - 0 0 26 -2,-0.4 5,-1.7 3,-0.3 3,-1.6 -0.928 25.3-133.7-118.2 139.7 26.6 24.0 35.5 106 192 A I G > 5S+ 0 0 48 -2,-0.4 3,-0.6 1,-0.3 5,-0.4 0.905 110.8 56.4 -51.8 -41.3 24.1 22.2 37.7 107 193 A A G 3 5S+ 0 0 91 1,-0.3 -1,-0.3 2,-0.1 2,-0.2 0.644 104.5 53.7 -66.9 -18.8 26.8 22.6 40.6 108 194 A N G < 5S- 0 0 121 -3,-1.6 -3,-0.3 0, 0.0 -1,-0.3 -0.477 134.1 -75.1-119.3 57.0 26.9 26.4 40.1 109 195 A N T <>5S+ 0 0 92 -3,-0.6 4,-2.4 -2,-0.2 -3,-0.2 0.669 82.3 148.0 65.7 26.5 23.2 27.4 40.4 110 196 A G H >< + 0 0 0 -5,-1.7 4,-2.4 -4,-0.3 -4,-0.2 0.804 64.4 54.2 -65.8 -38.5 22.4 26.1 36.9 111 197 A V H > S+ 0 0 44 -5,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.959 112.9 43.1 -58.6 -50.8 18.8 25.0 37.7 112 198 A N H > S+ 0 0 96 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.906 112.7 53.7 -62.4 -39.4 17.9 28.4 39.0 113 199 A N H X S+ 0 0 47 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.915 110.9 46.3 -59.6 -44.6 19.7 30.1 36.2 114 200 A Y H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.908 109.8 52.0 -68.2 -41.5 17.8 28.1 33.6 115 201 A K H X S+ 0 0 81 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.919 110.9 48.9 -61.4 -40.3 14.4 28.6 35.2 116 202 A A H X S+ 0 0 54 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.880 109.3 52.6 -64.0 -40.5 15.1 32.4 35.2 117 203 A Y H X S+ 0 0 3 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.937 112.2 45.3 -58.8 -50.2 16.2 32.2 31.5 118 204 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.916 112.1 52.2 -58.7 -44.8 12.9 30.4 30.6 119 205 A N H X S+ 0 0 61 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.878 111.1 46.8 -61.9 -40.6 10.9 32.9 32.7 120 206 A R H X S+ 0 0 85 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.916 110.6 51.8 -69.3 -41.6 12.5 35.9 30.9 121 207 A I H X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.934 108.8 52.5 -56.6 -46.5 11.9 34.3 27.5 122 208 A R H X S+ 0 0 82 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.926 107.8 50.7 -55.9 -46.3 8.2 33.9 28.5 123 209 A E H X S+ 0 0 110 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.910 113.1 45.8 -59.0 -43.9 8.0 37.6 29.4 124 210 A I H X S+ 0 0 5 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.918 111.2 51.1 -67.6 -44.2 9.5 38.6 26.0 125 211 A L H < S+ 0 0 1 -4,-3.0 6,-0.2 1,-0.2 -2,-0.2 0.915 110.0 50.7 -60.6 -42.6 7.3 36.2 24.0 126 212 A I H >< S+ 0 0 81 -4,-2.6 3,-1.8 -5,-0.2 -1,-0.2 0.939 107.5 53.2 -58.0 -44.9 4.2 37.6 25.8 127 213 A S H 3< S+ 0 0 71 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.892 115.9 41.2 -54.6 -40.7 5.3 41.1 25.0 128 214 A F T >< S+ 0 0 14 -4,-2.0 3,-2.5 1,-0.2 -1,-0.3 -0.178 70.7 136.2-102.1 40.4 5.5 40.0 21.3 129 215 A S T < + 0 0 55 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.711 66.4 67.8 -60.0 -21.8 2.3 37.9 21.3 130 216 A D T 3 S+ 0 0 53 -3,-0.3 2,-0.7 -4,-0.1 -1,-0.3 0.536 88.7 74.0 -72.8 -9.1 1.6 39.5 17.9 131 217 A V S < S- 0 0 0 -3,-2.5 -49,-0.1 -6,-0.2 -1,-0.1 -0.925 85.8-132.2-110.6 104.8 4.6 37.6 16.3 132 218 A R - 0 0 49 -2,-0.7 -49,-2.4 -51,-0.4 2,-0.4 -0.394 30.0-159.4 -56.2 131.5 3.9 33.9 15.8 133 219 A T E -cd 83 177B 0 43,-2.3 45,-2.1 -51,-0.2 2,-0.5 -0.978 13.5-161.9-130.5 122.9 7.0 32.2 17.2 134 220 A I E -cd 84 178B 0 -51,-2.8 -49,-2.7 -2,-0.4 2,-0.4 -0.916 15.6-163.3-107.4 124.6 8.2 28.7 16.5 135 221 A L E -cd 85 179B 1 43,-3.1 45,-2.2 -2,-0.5 2,-0.5 -0.893 19.7-155.2-114.4 137.9 10.7 27.1 18.9 136 222 A V E -cd 86 180B 0 -51,-2.1 -49,-2.8 -2,-0.4 2,-0.7 -0.956 28.5-140.1 -97.7 125.9 13.1 24.2 18.8 137 223 A I E -cd 87 181B 3 43,-2.5 45,-2.2 -2,-0.5 4,-0.2 -0.823 55.5 -36.2 -98.1 112.2 13.6 23.1 22.4 138 224 A E > - 0 0 0 -51,-2.8 3,-0.7 -2,-0.7 4,-0.3 0.890 59.9-143.0 53.6 74.3 17.2 22.1 23.5 139 225 A P T 3 S+ 0 0 9 0, 0.0 -45,-0.2 0, 0.0 -1,-0.1 -0.231 84.8 19.6 -48.6 149.4 19.2 20.2 20.8 140 226 A D T 3 S+ 0 0 44 1,-0.1 -46,-0.5 82,-0.1 -45,-0.3 0.857 103.0 100.2 56.8 42.6 21.4 17.5 22.1 141 227 A S S X S+ 0 0 6 -3,-0.7 3,-1.9 -4,-0.2 4,-0.3 0.560 81.6 18.9-118.5 -93.0 19.5 17.1 25.5 142 228 A L T >> S+ 0 0 3 -4,-0.3 3,-1.6 1,-0.3 4,-0.7 0.737 110.5 73.8 -64.6 -22.7 16.9 14.3 26.0 143 229 A A H >> S+ 0 0 0 1,-0.3 4,-1.2 2,-0.2 3,-1.0 0.863 90.7 61.8 -55.9 -30.8 18.3 12.2 23.2 144 230 A N H <> S+ 0 0 1 -3,-1.9 4,-2.3 1,-0.3 -1,-0.3 0.784 93.3 61.6 -65.1 -26.3 21.2 11.5 25.6 145 231 A M H <4 S+ 0 0 21 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.711 102.2 54.8 -72.4 -18.0 18.8 9.9 28.1 146 232 A V H << S+ 0 0 28 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.2 0.933 130.8 2.1 -78.5 -45.1 18.0 7.3 25.4 147 233 A T H < S+ 0 0 36 -4,-1.2 3,-0.2 1,-0.1 -2,-0.2 0.586 123.9 57.4-122.0 -12.8 21.5 6.1 24.6 148 234 A N >< + 0 0 38 -4,-2.3 3,-2.0 -5,-0.3 7,-0.3 0.086 56.9 116.7-118.8 24.8 24.1 7.8 26.9 149 235 A M T 3 S+ 0 0 80 1,-0.3 6,-0.2 -4,-0.2 -1,-0.2 0.650 71.0 69.9 -73.0 -7.6 23.0 7.0 30.5 150 236 A N T 3 S+ 0 0 129 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.684 78.8 91.0 -72.4 -21.7 26.3 5.2 30.9 151 237 A V S X> S- 0 0 39 -3,-2.0 4,-2.6 1,-0.2 3,-0.7 -0.685 79.5-140.6 -76.9 122.2 28.0 8.6 30.8 152 238 A P H 3> S+ 0 0 114 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.877 100.0 51.7 -53.4 -43.2 28.2 9.8 34.4 153 239 A K H 3> S+ 0 0 91 -58,-0.2 4,-1.3 1,-0.2 -57,-0.1 0.876 111.4 48.5 -61.5 -36.9 27.5 13.4 33.5 154 240 A a H <> S+ 0 0 0 -3,-0.7 4,-1.4 -6,-0.3 3,-0.3 0.938 112.0 46.5 -69.1 -46.4 24.4 12.3 31.6 155 241 A S H < S+ 0 0 64 -4,-2.6 4,-0.5 -7,-0.3 3,-0.4 0.915 114.0 49.7 -62.4 -38.1 23.0 10.1 34.3 156 242 A G H < S+ 0 0 55 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.770 117.2 41.2 -69.4 -25.8 23.7 12.8 36.9 157 243 A A H X S+ 0 0 0 -4,-1.3 4,-3.0 -3,-0.3 3,-0.4 0.519 88.1 94.3 -94.4 -12.4 21.9 15.4 34.7 158 244 A A H X S+ 0 0 10 -4,-1.4 4,-2.5 -3,-0.4 5,-0.2 0.862 85.8 45.9 -58.9 -48.8 18.9 13.2 33.5 159 245 A S H > S+ 0 0 67 -4,-0.5 4,-2.6 1,-0.2 -1,-0.3 0.858 115.4 49.2 -63.6 -34.2 16.4 14.3 36.2 160 246 A T H > S+ 0 0 17 -3,-0.4 4,-2.8 2,-0.2 5,-0.3 0.917 109.6 50.1 -69.7 -47.3 17.4 17.9 35.6 161 247 A Y H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.935 115.1 45.7 -56.1 -46.0 17.1 17.7 31.8 162 248 A R H X S+ 0 0 78 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.956 115.3 43.8 -63.7 -52.1 13.6 16.1 32.3 163 249 A E H X S+ 0 0 130 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.905 116.2 46.9 -62.6 -42.0 12.3 18.5 34.9 164 250 A L H X S+ 0 0 4 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.831 109.7 53.6 -73.4 -28.4 13.6 21.6 33.1 165 251 A T H X S+ 0 0 1 -4,-2.0 4,-2.8 -5,-0.3 5,-0.2 0.952 110.5 47.1 -64.8 -48.1 12.3 20.4 29.7 166 252 A I H X S+ 0 0 34 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.920 110.6 53.8 -59.9 -40.8 8.8 20.0 31.3 167 253 A Y H X S+ 0 0 52 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.928 111.1 45.1 -58.2 -47.5 9.3 23.5 32.9 168 254 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.917 110.7 53.3 -63.1 -44.2 10.0 25.0 29.5 169 255 A L H < S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.876 116.3 39.4 -59.9 -40.1 7.1 23.2 27.8 170 256 A K H >< S+ 0 0 111 -4,-2.2 3,-0.8 -5,-0.2 -2,-0.2 0.896 116.8 47.1 -76.4 -44.4 4.7 24.5 30.4 171 257 A Q H 3< S+ 0 0 57 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.817 117.2 43.5 -70.0 -28.6 6.1 28.1 30.7 172 258 A L T 3< S+ 0 0 0 -4,-2.3 2,-1.9 -5,-0.2 -1,-0.2 0.332 78.7 116.9-100.2 9.2 6.3 28.6 26.9 173 259 A D < + 0 0 59 -3,-0.8 40,-0.1 -5,-0.1 -1,-0.1 -0.563 43.0 148.3 -77.4 81.4 2.9 27.0 26.2 174 260 A L > - 0 0 15 -2,-1.9 3,-2.2 1,-0.1 -2,-0.0 -0.900 59.6-114.9-119.9 147.8 1.4 30.3 24.8 175 261 A P T 3 S+ 0 0 86 0, 0.0 -172,-0.5 0, 0.0 -1,-0.1 0.752 114.9 47.8 -58.9 -25.1 -1.2 30.6 22.1 176 262 A H T 3 S+ 0 0 7 -174,-0.1 -43,-2.3 -44,-0.1 2,-0.3 0.390 102.3 84.9 -94.9 5.3 1.1 32.3 19.6 177 263 A V E < -d 133 0B 0 -3,-2.2 2,-0.4 -45,-0.2 -43,-0.2 -0.807 53.1-167.3-110.0 148.2 3.9 29.8 20.1 178 264 A A E -d 134 0B 0 -45,-2.1 -43,-3.1 -2,-0.3 2,-0.4 -0.977 12.2-159.3-124.7 144.1 4.7 26.4 18.7 179 265 A M E -de 135 215B 0 35,-2.5 37,-2.2 -2,-0.4 38,-1.3 -0.983 12.7-175.0-126.5 141.0 7.3 24.0 20.1 180 266 A Y E -de 136 217B 0 -45,-2.2 -43,-2.5 -2,-0.4 38,-0.3 -0.995 21.8-141.0-127.5 117.2 9.3 21.1 18.7 181 267 A M E -de 137 218B 3 36,-2.3 38,-2.4 -2,-0.4 -43,-0.1 -0.609 30.3-103.8 -75.1 140.5 11.5 19.1 21.1 182 268 A D E + e 0 219B 7 -45,-2.2 38,-0.2 -2,-0.3 -40,-0.1 -0.381 37.7 179.9 -58.2 139.7 14.8 18.0 19.6 183 269 A A - 0 0 0 36,-2.8 6,-0.2 1,-0.4 5,-0.1 -0.176 34.9-121.7-136.6 43.5 14.8 14.3 18.8 184 270 A G - 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