==== 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 HYDROLASE 07-FEB-03 1OCB . COMPND 2 MOLECULE: CELLOBIOHYDROLASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMICOLA INSOLENS; . AUTHOR A.VARROT,T.P.FRANDSEN,I.VON OSSOWSKI,V.BOYER,H.DRIGUEZ,M.SCH . 722 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 470 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 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 . 46 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.4 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 0 2 0 4 2 0 0 0 3 1 0 2 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 6 4 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 . 6 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 . 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 90 A N 0 0 195 0, 0.0 2,-0.2 0, 0.0 212,-0.0 0.000 360.0 360.0 360.0 -16.1 14.6 5.1 -14.0 2 91 A G - 0 0 57 1,-0.1 3,-0.0 2,-0.0 0, 0.0 -0.469 360.0-121.5 -75.0 139.3 14.8 7.5 -11.1 3 92 A N > - 0 0 29 -2,-0.2 3,-1.7 1,-0.2 -1,-0.1 -0.692 21.3-148.7 -72.5 117.0 14.4 6.5 -7.6 4 93 A P T 3 S+ 0 0 11 0, 0.0 -1,-0.2 0, 0.0 171,-0.0 0.632 95.0 59.5 -66.8 -16.0 11.4 8.7 -6.5 5 94 A F T > S+ 0 0 11 299,-0.1 3,-0.6 291,-0.1 2,-0.3 0.525 88.4 90.2 -85.1 -8.5 12.8 8.9 -3.0 6 95 A E T < S+ 0 0 113 -3,-1.7 3,-0.1 1,-0.2 299,-0.0 -0.696 90.8 16.3 -88.3 138.7 16.1 10.4 -4.1 7 96 A G T 3 S+ 0 0 53 -2,-0.3 70,-0.5 1,-0.2 2,-0.3 0.570 110.4 83.4 81.2 9.7 16.4 14.2 -4.2 8 97 A V < - 0 0 18 -3,-0.6 2,-0.3 68,-0.2 -1,-0.2 -0.925 69.4-129.2-136.1 161.9 13.3 15.0 -2.1 9 98 A Q E -a 78 0A 63 68,-2.5 70,-2.0 -2,-0.3 2,-0.6 -0.830 35.0-115.9-101.5 149.8 12.4 15.2 1.5 10 99 A L E -a 79 0A 30 -2,-0.3 2,-0.3 68,-0.2 70,-0.1 -0.792 25.1-126.4 -90.5 126.6 9.3 13.3 2.6 11 100 A W - 0 0 48 68,-2.3 2,-0.6 -2,-0.6 70,-0.2 -0.485 13.4-142.9 -70.2 128.4 6.4 15.4 3.8 12 101 A A - 0 0 14 -2,-0.3 34,-0.1 32,-0.1 -1,-0.1 -0.806 26.9-130.1 -89.1 117.9 5.1 14.4 7.3 13 102 A N > - 0 0 11 -2,-0.6 4,-1.3 32,-0.5 32,-0.1 -0.330 4.0-129.0 -76.6 158.4 1.3 14.8 7.0 14 103 A N H > S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.566 98.2 70.1 -82.1 -7.3 -0.7 16.7 9.6 15 104 A Y H > S+ 0 0 42 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.953 103.9 40.0 -77.2 -46.3 -3.3 13.9 10.1 16 105 A Y H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.922 116.4 52.7 -65.4 -44.5 -0.9 11.6 11.9 17 106 A R H X S+ 0 0 57 -4,-1.3 4,-2.6 1,-0.2 5,-0.2 0.926 108.7 50.1 -53.8 -45.5 0.6 14.7 13.7 18 107 A S H X S+ 0 0 47 -4,-2.1 4,-2.5 1,-0.2 5,-0.4 0.865 108.5 52.0 -64.8 -39.1 -2.9 15.6 14.8 19 108 A E H X>S+ 0 0 38 -4,-1.9 4,-2.1 2,-0.2 5,-1.7 0.956 113.2 44.5 -59.2 -50.1 -3.7 12.1 16.2 20 109 A V H <>S+ 0 0 0 -4,-2.5 5,-3.0 3,-0.2 -2,-0.2 0.948 119.8 40.2 -63.2 -45.4 -0.5 12.1 18.2 21 110 A H H <5S+ 0 0 77 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.837 124.2 34.2 -76.0 -32.3 -0.9 15.7 19.6 22 111 A T H <5S+ 0 0 97 -4,-2.5 -1,-0.2 -5,-0.2 -3,-0.2 0.713 134.5 20.1 -95.3 -23.3 -4.7 15.7 20.2 23 112 A L T <5S+ 0 0 79 -4,-2.1 4,-0.3 -5,-0.4 -3,-0.2 0.796 127.6 35.0-112.0 -48.5 -5.3 12.1 21.3 24 113 A A T > - 0 0 60 1,-0.1 4,-2.5 4,-0.1 5,-0.2 -0.365 68.7-140.0 -57.4 124.3 5.5 10.5 31.4 31 120 A P H > S+ 0 0 101 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.876 97.2 44.3 -56.9 -43.0 8.1 13.1 30.3 32 121 A A H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.911 115.4 46.7 -71.5 -39.5 10.2 10.8 28.1 33 122 A L H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.859 111.3 53.6 -67.2 -36.9 7.3 9.1 26.4 34 123 A R H X S+ 0 0 106 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.944 111.4 44.7 -64.5 -43.3 5.7 12.6 25.8 35 124 A A H X S+ 0 0 64 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.901 113.9 50.3 -66.9 -37.2 8.9 13.9 24.2 36 125 A A H X S+ 0 0 8 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.895 107.9 52.9 -66.6 -39.0 9.2 10.7 22.1 37 126 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.887 107.3 52.0 -65.1 -41.1 5.6 10.9 21.0 38 127 A S H < S+ 0 0 50 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.896 111.4 48.1 -63.8 -37.5 6.3 14.5 19.8 39 128 A A H >< S+ 0 0 44 -4,-1.8 3,-1.4 1,-0.2 4,-0.2 0.913 109.1 50.7 -69.8 -41.2 9.3 13.3 17.8 40 129 A V H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.820 96.8 70.1 -69.3 -23.3 7.5 10.3 16.1 41 130 A A T 3< S+ 0 0 1 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.723 98.6 52.2 -60.1 -26.9 4.7 12.7 15.0 42 131 A E T < S+ 0 0 91 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.437 79.2 108.0 -92.1 -0.5 7.3 14.1 12.6 43 132 A V S < S- 0 0 12 -3,-1.7 2,-1.2 -4,-0.2 -30,-0.2 -0.620 79.1-118.6 -78.5 126.5 8.4 10.9 11.0 44 133 A P + 0 0 24 0, 0.0 264,-0.5 0, 0.0 2,-0.2 -0.558 43.9 169.1 -79.0 95.2 6.9 10.9 7.5 45 134 A S - 0 0 3 -2,-1.2 -32,-0.5 -32,-0.1 264,-0.2 -0.643 40.8 -84.4 -94.0 160.5 4.5 8.0 7.1 46 135 A F - 0 0 1 262,-2.4 2,-0.4 -2,-0.2 36,-0.2 -0.315 33.9-132.0 -64.2 145.0 2.1 7.5 4.2 47 136 A Q E -b 82 0B 10 34,-2.4 36,-2.9 263,-0.1 2,-0.4 -0.836 24.3-138.2 -95.2 135.4 -1.4 9.1 4.2 48 137 A W E -b 83 0B 43 -2,-0.4 2,-1.1 34,-0.2 3,-0.2 -0.816 14.4-154.3-106.5 134.2 -4.2 6.7 3.4 49 138 A L E +b 84 0B 0 34,-3.0 36,-1.2 -2,-0.4 6,-0.1 -0.631 39.8 151.1 -95.8 69.9 -7.2 7.3 1.1 50 139 A D + 0 0 45 -2,-1.1 50,-0.3 34,-0.1 2,-0.3 0.583 61.4 35.4 -82.2 -16.3 -9.2 4.7 3.0 51 140 A R S > S- 0 0 106 -3,-0.2 3,-1.8 48,-0.1 4,-0.3 -0.995 82.0-120.3-135.1 153.5 -12.6 6.4 2.3 52 141 A N G > S+ 0 0 67 -2,-0.3 3,-1.9 1,-0.3 4,-0.5 0.841 107.6 67.9 -61.3 -31.1 -13.8 8.3 -0.8 53 142 A V G 3 S+ 0 0 86 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.748 89.5 65.5 -62.2 -23.9 -14.5 11.4 1.3 54 143 A T G < >S+ 0 0 2 -3,-1.8 5,-2.5 1,-0.2 6,-0.3 0.652 85.1 74.8 -73.4 -17.5 -10.7 11.9 1.7 55 144 A V T < >S+ 0 0 1 -3,-1.9 5,-0.8 -4,-0.3 -1,-0.2 0.965 104.7 30.5 -65.2 -51.7 -10.0 12.5 -2.0 56 145 A D T 5S+ 0 0 81 -4,-0.5 -1,-0.2 -3,-0.2 -2,-0.2 0.503 132.7 33.0 -89.3 -1.5 -11.4 16.0 -2.3 57 146 A T T >5S+ 0 0 70 -4,-0.5 4,-2.6 -3,-0.1 -3,-0.2 0.701 124.8 23.0-112.6 -79.3 -10.5 17.0 1.3 58 147 A L H >5S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.826 123.3 50.6 -67.6 -35.3 -7.4 15.4 2.9 59 148 A L H >S+ 0 0 26 -4,-2.3 5,-2.0 2,-0.2 4,-0.6 0.911 113.4 47.7 -66.0 -42.8 6.4 24.7 1.1 70 159 A N H ><5S+ 0 0 33 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.916 109.3 52.9 -66.7 -42.1 8.1 24.0 -2.2 71 160 A Q H 3<5S+ 0 0 143 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.829 104.8 56.8 -60.0 -30.7 7.2 27.4 -3.7 72 161 A A H 3<5S- 0 0 93 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.628 131.7 -91.8 -78.3 -9.2 8.7 29.0 -0.6 73 162 A G T <<5 + 0 0 52 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.559 54.2 179.2 115.5 13.4 12.0 27.3 -1.3 74 163 A A < - 0 0 29 -5,-2.0 -1,-0.2 1,-0.1 4,-0.0 -0.136 25.5-135.8 -49.5 129.1 12.0 23.9 0.5 75 164 A N S S+ 0 0 148 1,-0.2 2,-0.2 2,-0.1 -67,-0.1 -0.958 93.7 28.6-140.4 113.9 15.3 22.2 -0.4 76 165 A P S S- 0 0 54 0, 0.0 -1,-0.2 0, 0.0 -68,-0.2 0.616 110.9-116.9 -63.6 158.3 15.1 19.4 -1.1 77 166 A Q - 0 0 73 -70,-0.5 -68,-2.5 -2,-0.2 2,-0.2 -0.294 30.7-109.5 -57.6 150.7 11.6 19.8 -2.4 78 167 A Y E -a 9 0A 62 -12,-0.3 51,-0.4 -70,-0.2 2,-0.3 -0.588 30.4-159.5 -83.9 145.5 8.9 17.8 -0.4 79 168 A A E -a 10 0A 0 -70,-2.0 -68,-2.3 -2,-0.2 2,-0.3 -0.922 14.3-123.0-121.2 152.0 7.2 14.8 -1.9 80 169 A A E - c 0 130B 1 49,-2.5 51,-3.0 -2,-0.3 2,-0.5 -0.679 11.4-156.7 -96.3 149.1 3.9 13.2 -1.0 81 170 A Q E + c 0 131B 7 -2,-0.3 -34,-2.4 -70,-0.2 2,-0.4 -0.985 22.7 173.6-127.1 113.9 3.3 9.5 0.0 82 171 A I E -bc 47 132B 2 49,-2.8 51,-2.2 -2,-0.5 2,-0.5 -0.968 23.0-148.5-130.1 138.7 -0.2 8.3 -0.5 83 172 A V E -bc 48 133B 0 -36,-2.9 -34,-3.0 -2,-0.4 2,-0.6 -0.918 9.9-148.0-105.8 129.9 -2.0 4.9 -0.2 84 173 A V E +bc 49 134B 0 49,-2.9 51,-2.4 -2,-0.5 -34,-0.1 -0.843 34.7 155.3 -91.6 118.6 -4.9 4.1 -2.5 85 174 A Y + 0 0 15 -36,-1.2 -1,-0.1 -2,-0.6 -2,-0.0 -0.485 28.0 96.6-152.0 69.2 -7.1 1.8 -0.4 86 175 A D + 0 0 0 13,-0.1 15,-0.1 -2,-0.1 -1,-0.1 0.116 37.1 154.8-151.8 34.9 -10.8 1.6 -1.2 87 176 A L > - 0 0 2 -3,-0.1 3,-0.7 2,-0.1 14,-0.3 -0.252 52.3-105.0 -56.0 144.2 -11.5 -1.4 -3.4 88 177 A P T 3 S+ 0 0 0 0, 0.0 14,-0.3 0, 0.0 -1,-0.1 -0.440 110.9 23.1 -66.4 150.8 -15.0 -2.7 -3.2 89 178 A D T 3 S- 0 0 36 12,-2.0 3,-0.3 1,-0.1 13,-0.1 0.915 98.5-171.8 48.3 48.4 -15.2 -5.9 -1.1 90 179 A R < + 0 0 13 -3,-0.7 9,-0.2 11,-0.5 4,-0.1 -0.212 57.1 20.3 -64.9 152.0 -11.9 -4.7 0.5 91 180 A D S > S- 0 0 19 45,-0.3 3,-2.0 1,-0.1 -1,-0.2 0.938 76.7-176.9 57.8 50.6 -9.8 -6.9 2.8 92 181 A a T 3 S+ 0 0 4 -3,-0.3 59,-0.3 1,-0.3 58,-0.2 0.715 71.4 49.5 -64.9 -22.6 -11.5 -9.9 1.4 93 182 A A T 3 S+ 0 0 40 57,-0.1 -1,-0.3 58,-0.1 2,-0.3 0.359 114.5 40.6 -97.5 7.1 -9.8 -12.5 3.6 94 183 A A < - 0 0 19 -3,-2.0 232,-0.1 -4,-0.1 233,-0.1 -0.836 64.2-138.7-144.2 174.8 -10.6 -10.7 6.9 95 184 A A S > S+ 0 0 31 -2,-0.3 3,-1.1 230,-0.1 232,-0.1 0.654 82.7 79.4-105.6 -22.1 -13.2 -8.8 8.7 96 185 A A T 3 S+ 0 0 0 1,-0.3 246,-0.5 220,-0.1 222,-0.2 0.762 101.4 31.0 -69.7 -34.5 -11.3 -5.9 10.4 97 186 A S T 3 S+ 0 0 24 -6,-0.2 -1,-0.3 220,-0.1 -5,-0.1 0.036 75.2 153.6-119.1 29.3 -10.8 -3.5 7.5 98 187 A N < - 0 0 63 -3,-1.1 -7,-0.1 -7,-0.1 2,-0.1 -0.238 37.8-135.9 -48.2 139.7 -13.9 -4.2 5.4 99 188 A G - 0 0 17 2,-0.3 -10,-0.1 -9,-0.2 -1,-0.1 -0.305 17.2 -95.0-103.1-174.1 -14.6 -1.0 3.5 100 189 A E S S+ 0 0 92 -50,-0.3 2,-0.3 -2,-0.1 -49,-0.1 0.727 97.4 65.2 -75.2 -22.6 -17.4 1.3 2.5 101 190 A W - 0 0 37 -14,-0.3 -12,-2.0 -15,-0.1 -11,-0.5 -0.788 58.5-163.8-113.6 145.8 -18.1 -0.2 -0.9 102 191 A A > > - 0 0 38 -2,-0.3 3,-1.8 3,-0.3 5,-1.7 -0.965 27.0-131.9-126.3 139.7 -19.4 -3.5 -2.1 103 192 A I G > 5S+ 0 0 45 -2,-0.4 3,-0.8 1,-0.3 5,-0.4 0.905 110.2 57.5 -54.7 -39.9 -19.3 -5.1 -5.5 104 193 A A G 3 5S+ 0 0 102 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.549 105.7 51.5 -73.9 -6.6 -23.0 -5.9 -5.1 105 194 A N G < 5S- 0 0 131 -3,-1.8 -3,-0.3 0, 0.0 -1,-0.3 -0.399 133.9 -74.8-128.2 57.6 -23.9 -2.2 -4.5 106 195 A N T <>5S+ 0 0 89 -3,-0.8 4,-2.2 -5,-0.1 -3,-0.2 0.676 82.1 146.9 67.7 24.0 -22.3 -0.5 -7.5 107 196 A G H >< + 0 0 0 -5,-1.7 4,-2.5 -4,-0.3 -4,-0.2 0.840 64.5 55.3 -58.7 -39.8 -18.8 -0.8 -6.0 108 197 A V H > S+ 0 0 31 -5,-0.4 4,-2.6 1,-0.2 5,-0.2 0.973 112.1 42.8 -61.1 -54.1 -17.0 -1.2 -9.4 109 198 A N H > S+ 0 0 93 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 112.9 53.7 -55.9 -43.2 -18.4 2.1 -10.8 110 199 A N H X S+ 0 0 45 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.912 110.8 47.1 -59.0 -42.4 -17.8 3.8 -7.4 111 200 A Y H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.922 108.5 52.7 -69.4 -45.3 -14.1 2.8 -7.5 112 201 A K H X S+ 0 0 51 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.917 110.9 48.8 -57.3 -41.4 -13.5 3.8 -11.1 113 202 A A H X S+ 0 0 59 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.892 109.9 51.5 -62.7 -44.1 -14.9 7.3 -10.2 114 203 A Y H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.930 112.1 46.5 -54.4 -48.9 -12.7 7.5 -7.1 115 204 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.926 111.2 52.4 -64.3 -43.1 -9.6 6.6 -9.3 116 205 A N H X S+ 0 0 57 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.888 110.8 47.6 -58.7 -40.0 -10.7 9.2 -11.9 117 206 A R H X S+ 0 0 103 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.916 109.3 51.9 -71.7 -38.5 -11.0 11.9 -9.3 118 207 A I H X S+ 0 0 2 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.947 109.2 52.3 -60.4 -44.5 -7.6 11.0 -7.8 119 208 A R H X S+ 0 0 66 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.922 108.6 49.3 -55.9 -50.0 -6.2 11.3 -11.3 120 209 A E H X S+ 0 0 96 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.891 112.6 47.7 -57.8 -39.4 -7.7 14.7 -11.8 121 210 A I H X S+ 0 0 4 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.923 112.1 48.9 -69.4 -43.4 -6.3 15.9 -8.4 122 211 A L H < S+ 0 0 1 -4,-3.1 6,-0.2 1,-0.2 -2,-0.2 0.870 109.9 52.5 -66.7 -35.7 -2.8 14.5 -9.2 123 212 A I H >< S+ 0 0 61 -4,-2.7 3,-1.6 -5,-0.2 -1,-0.2 0.929 108.4 50.4 -61.1 -42.1 -2.9 16.2 -12.6 124 213 A S H 3< S+ 0 0 66 -4,-1.9 3,-0.2 1,-0.3 -2,-0.2 0.836 116.5 42.5 -67.1 -27.9 -3.8 19.6 -10.9 125 214 A F T >< S+ 0 0 11 -4,-1.8 3,-2.3 1,-0.2 -1,-0.3 -0.194 71.4 134.0-109.8 39.7 -0.8 19.0 -8.6 126 215 A S T < + 0 0 54 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.680 65.4 68.7 -63.1 -17.9 1.6 17.7 -11.2 127 216 A D T 3 S+ 0 0 77 -3,-0.2 2,-0.6 -4,-0.1 -1,-0.3 0.490 88.4 76.5 -74.5 -6.9 4.2 20.1 -9.6 128 217 A V S < S- 0 0 0 -3,-2.3 2,-0.1 -6,-0.2 -49,-0.1 -0.937 85.7-127.6-111.3 114.5 4.3 17.9 -6.5 129 218 A R - 0 0 68 -2,-0.6 -49,-2.5 -51,-0.4 2,-0.4 -0.411 32.7-163.9 -58.5 127.3 6.2 14.6 -6.7 130 219 A T E -cd 80 174B 0 43,-2.1 45,-2.1 -51,-0.2 2,-0.5 -0.972 15.4-164.2-128.3 127.3 3.8 11.9 -5.6 131 220 A I E -cd 81 175B 0 -51,-3.0 -49,-2.8 -2,-0.4 2,-0.4 -0.910 16.0-164.8-109.8 128.0 4.6 8.3 -4.5 132 221 A L E -cd 82 176B 2 43,-3.2 45,-2.6 -2,-0.5 2,-0.5 -0.919 18.6-156.8-119.6 137.6 1.6 5.9 -4.3 133 222 A V E -cd 83 177B 0 -51,-2.2 -49,-2.9 -2,-0.4 2,-0.7 -0.972 26.5-140.2-103.2 126.9 1.1 2.5 -2.8 134 223 A I E -cd 84 178B 4 43,-2.4 45,-2.0 -2,-0.5 -49,-0.1 -0.832 56.2 -38.7 -98.3 112.6 -1.7 0.7 -4.6 135 224 A E > - 0 0 2 -51,-2.4 3,-1.4 -2,-0.7 4,-0.5 0.848 65.1-130.2 47.6 73.4 -4.2 -1.3 -2.6 136 225 A P T 3 S+ 0 0 6 0, 0.0 -45,-0.3 0, 0.0 -1,-0.1 -0.163 85.0 5.0 -45.6 134.1 -2.6 -3.2 0.3 137 226 A D T 3> S+ 0 0 35 1,-0.1 4,-2.6 -46,-0.1 5,-0.2 -0.058 97.9 108.1 83.0 -22.9 -3.4 -6.9 0.5 138 227 A S H <> S+ 0 0 8 -3,-1.4 4,-1.2 1,-0.2 -1,-0.1 0.917 85.4 30.4 -55.9 -63.0 -5.5 -7.1 -2.7 139 228 A L H > S+ 0 0 6 -4,-0.5 4,-1.4 40,-0.2 -1,-0.2 0.836 115.4 60.0 -69.4 -34.1 -3.3 -9.0 -5.0 140 229 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.900 104.8 51.1 -58.1 -42.4 -1.7 -11.0 -2.3 141 230 A N H X S+ 0 0 5 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.849 104.5 57.2 -59.7 -34.4 -5.2 -12.3 -1.4 142 231 A M H < S+ 0 0 22 -4,-1.2 -1,-0.2 -5,-0.2 4,-0.2 0.819 108.3 49.0 -69.0 -26.7 -5.6 -13.2 -5.1 143 232 A V H < S+ 0 0 32 -4,-1.4 -2,-0.2 -3,-0.3 3,-0.2 0.965 129.7 13.0 -71.0 -52.6 -2.5 -15.4 -4.8 144 233 A T H < S+ 0 0 34 -4,-1.9 3,-0.2 1,-0.1 -2,-0.2 0.585 119.9 57.6-108.7 -11.8 -3.3 -17.3 -1.6 145 234 A N >< + 0 0 35 -4,-2.5 3,-2.0 -5,-0.3 7,-0.4 0.060 52.9 118.6-120.2 30.8 -7.0 -16.9 -0.8 146 235 A M T 3 S+ 0 0 91 1,-0.3 -1,-0.2 -4,-0.2 6,-0.1 0.686 75.0 67.7 -63.6 -16.8 -9.1 -18.0 -3.8 147 236 A N T 3 S+ 0 0 131 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.584 82.1 88.1 -77.0 -11.6 -10.6 -20.6 -1.3 148 237 A V S X> S- 0 0 36 -3,-2.0 4,-2.8 1,-0.1 3,-0.7 -0.818 78.6-140.2 -89.0 118.6 -12.2 -17.7 0.6 149 238 A P H 3> S+ 0 0 107 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.866 100.6 50.8 -49.5 -43.4 -15.7 -16.9 -1.0 150 239 A K H 3> S+ 0 0 65 -58,-0.2 4,-1.1 1,-0.2 -57,-0.1 0.879 114.8 43.9 -63.8 -36.4 -15.3 -13.1 -0.7 151 240 A a H <> S+ 0 0 0 -3,-0.7 4,-1.0 -59,-0.3 3,-0.4 0.941 114.4 46.7 -75.3 -48.2 -11.9 -13.2 -2.4 152 241 A S H >< S+ 0 0 57 -4,-2.8 3,-0.5 -7,-0.4 4,-0.4 0.897 113.3 52.0 -59.4 -36.4 -12.8 -15.6 -5.2 153 242 A G H 3< S+ 0 0 53 -4,-2.4 -1,-0.2 -5,-0.3 4,-0.2 0.761 115.4 40.7 -69.4 -28.1 -16.0 -13.5 -5.7 154 243 A A H 3X S+ 0 0 0 -4,-1.1 4,-3.4 -3,-0.4 5,-0.2 0.441 88.5 96.4 -94.1 -7.9 -13.9 -10.3 -6.0 155 244 A A H S+ 0 0 91 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.887 116.8 49.1 -65.1 -38.0 -12.1 -10.6 -11.5 157 246 A T H > S+ 0 0 12 -4,-0.2 4,-3.0 2,-0.2 5,-0.3 0.925 109.8 50.9 -66.3 -46.9 -13.1 -7.2 -10.1 158 247 A Y H X S+ 0 0 2 -4,-3.4 4,-2.3 2,-0.2 5,-0.2 0.917 112.0 47.9 -56.1 -44.3 -9.7 -6.8 -8.3 159 248 A R H X S+ 0 0 70 -4,-2.4 4,-2.2 -5,-0.2 5,-0.2 0.972 114.2 44.7 -62.8 -49.8 -7.9 -7.6 -11.5 160 249 A E H X S+ 0 0 85 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.906 116.8 45.8 -60.6 -44.0 -10.0 -5.2 -13.7 161 250 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.794 109.6 54.3 -75.7 -29.1 -9.8 -2.4 -11.1 162 251 A T H X S+ 0 0 3 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 0.929 111.4 44.2 -67.1 -51.0 -6.0 -2.8 -10.5 163 252 A I H X S+ 0 0 29 -4,-2.2 4,-2.1 -5,-0.2 5,-0.2 0.919 112.5 54.0 -56.9 -44.1 -5.3 -2.5 -14.2 164 253 A Y H X S+ 0 0 61 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.927 111.8 44.9 -54.7 -49.1 -7.7 0.5 -14.4 165 254 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.906 109.9 53.6 -63.8 -43.7 -5.8 2.2 -11.5 166 255 A L H < S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.883 115.1 40.8 -61.7 -39.0 -2.3 1.5 -12.9 167 256 A K H >< S+ 0 0 113 -4,-2.1 3,-0.7 -5,-0.2 -1,-0.2 0.880 116.8 47.5 -74.2 -39.0 -3.3 3.1 -16.3 168 257 A Q H 3< S+ 0 0 50 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.819 114.8 44.6 -76.6 -29.7 -5.2 6.0 -14.9 169 258 A L T 3< S+ 0 0 0 -4,-2.3 2,-1.5 -5,-0.2 -1,-0.2 0.349 79.4 116.4 -98.0 12.6 -2.6 7.0 -12.3 170 259 A D < + 0 0 57 -3,-0.7 40,-0.1 -5,-0.1 5,-0.0 -0.572 44.5 150.6 -82.6 85.0 0.3 6.6 -14.9 171 260 A L > - 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