==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-NOV-04 1WC2 . COMPND 2 MOLECULE: ENDOGLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYTILUS EDULIS; . AUTHOR E.JAKOBSSON,S.MAHDI,G.J.KLEYWEGT,J.STAHLBERG . 180 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7964.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 11 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 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 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 1 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 . 2 2 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 1 A N 0 0 87 0, 0.0 80,-1.7 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 136.3 30.6 26.3 34.5 2 2 A Q + 0 0 57 78,-0.2 80,-0.1 1,-0.2 0, 0.0 -0.704 360.0 177.8 -80.6 117.1 27.2 28.2 34.3 3 3 A K + 0 0 72 -2,-0.6 2,-0.2 2,-0.0 -1,-0.2 0.649 60.0 85.6 -91.0 -20.7 24.6 25.9 32.7 4 4 A a - 0 0 1 7,-0.1 2,-0.3 5,-0.1 7,-0.2 -0.557 63.2-173.9 -76.2 149.7 21.8 28.5 33.1 5 5 A S B > +A 10 0A 82 5,-2.6 5,-2.4 -2,-0.2 11,-0.1 -0.930 31.1 43.3-144.2 164.3 21.5 31.1 30.3 6 6 A G T 5S- 0 0 54 -2,-0.3 -2,-0.0 3,-0.2 0, 0.0 -0.258 90.8 -42.1 89.5 179.2 19.7 34.3 29.4 7 7 A N T 5S+ 0 0 125 1,-0.2 2,-0.1 2,-0.1 120,-0.1 -0.967 137.3 21.3-127.6 110.9 18.9 37.4 31.3 8 8 A P T 5S- 0 0 21 0, 0.0 119,-0.2 0, 0.0 -1,-0.2 0.696 117.6-102.3 -68.5 170.4 18.0 36.6 34.0 9 9 A R T 5 + 0 0 64 117,-2.4 7,-2.1 -2,-0.1 119,-0.3 -0.356 48.9 174.0 -66.8 130.9 19.6 33.2 34.1 10 10 A R E < -AB 5 15A 114 -5,-2.4 -5,-2.6 5,-0.2 2,-0.4 -0.930 21.6-153.1-136.4 158.2 17.2 30.2 33.4 11 11 A Y E > S- B 0 14A 32 3,-2.5 3,-1.3 -2,-0.3 -7,-0.1 -0.956 75.9 -28.5-138.6 111.5 17.6 26.5 32.9 12 12 A N T 3 S- 0 0 131 -2,-0.4 3,-0.1 1,-0.3 -8,-0.0 0.847 128.2 -42.7 47.9 44.9 15.0 24.5 30.9 13 13 A G T 3 S+ 0 0 57 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.593 117.4 108.5 84.8 12.6 12.2 26.9 31.7 14 14 A K E < S-B 11 0A 98 -3,-1.3 -3,-2.5 139,-0.0 -1,-0.2 -0.955 71.5-112.5-121.8 139.1 13.1 27.3 35.4 15 15 A S E -B 10 0A 16 -2,-0.4 137,-1.5 137,-0.2 2,-0.3 -0.464 33.9-137.5 -66.8 137.8 14.5 30.4 37.2 16 16 A a E -C 151 0B 0 -7,-2.1 113,-0.6 135,-0.2 112,-0.5 -0.668 13.5-162.1 -97.7 153.0 18.1 29.9 38.5 17 17 A A E -Cd 150 129B 0 133,-2.3 133,-2.1 -2,-0.3 113,-0.2 -0.998 12.0-140.4-128.4 136.4 19.6 31.1 41.8 18 18 A S E - d 0 130B 3 111,-1.7 113,-2.2 -2,-0.4 2,-0.3 -0.557 21.8-156.2 -84.1 159.4 23.3 31.4 42.7 19 19 A T E - d 0 131B 3 128,-0.3 2,-0.3 111,-0.2 113,-0.2 -0.972 15.0-166.6-135.8 151.5 24.6 30.3 46.1 20 20 A T E - d 0 132B 30 111,-1.6 113,-2.0 -2,-0.3 2,-0.2 -0.947 24.0-130.7-136.2 127.3 27.5 31.1 48.5 21 21 A N E + d 0 133B 29 -2,-0.3 2,-0.3 111,-0.2 113,-0.2 -0.501 44.4 159.9 -70.1 130.4 28.4 29.0 51.5 22 22 A Y E - d 0 134B 51 111,-2.3 113,-2.7 -2,-0.2 2,-0.4 -0.912 34.9-134.3-143.4 170.4 28.8 31.4 54.5 23 23 A H + 0 0 118 -2,-0.3 2,-0.4 111,-0.2 111,-0.1 -0.979 25.0 164.4-134.1 125.7 28.9 31.5 58.3 24 24 A D - 0 0 43 -2,-0.4 112,-0.1 2,-0.1 -2,-0.1 -0.975 14.7-175.8-138.6 126.8 27.1 34.0 60.4 25 25 A S + 0 0 71 -2,-0.4 15,-0.6 15,-0.0 2,-0.1 0.328 50.9 110.5-102.1 2.5 26.4 33.6 64.2 26 26 A H B S-I 39 0C 98 13,-0.1 13,-0.2 1,-0.1 -2,-0.1 -0.438 83.6-108.3 -76.4 156.0 24.3 36.8 64.7 27 27 A K > - 0 0 17 11,-1.7 5,-0.5 -2,-0.1 3,-0.2 0.880 61.2-148.1 -49.3 -45.8 20.6 36.5 65.5 28 28 A G T > 5 - 0 0 15 1,-0.1 3,-1.8 3,-0.1 73,-0.2 -0.084 24.3 -60.9 92.7 170.5 19.8 37.9 62.0 29 29 A A T 3 5S+ 0 0 11 1,-0.3 36,-2.4 2,-0.1 37,-0.4 0.420 123.9 56.7 -79.1 -1.3 17.2 40.0 60.2 30 30 A b T 3 5S- 0 0 0 70,-1.2 148,-1.6 -3,-0.2 -1,-0.3 0.323 109.1-115.3-105.7 5.2 14.2 37.7 60.9 31 31 A G T < 5 + 0 0 0 -3,-1.8 146,-2.2 146,-0.2 2,-2.0 0.786 53.5 163.5 69.9 29.9 14.6 37.8 64.7 32 32 A c < + 0 0 0 -5,-0.5 9,-1.4 68,-0.4 -1,-0.2 -0.399 52.1 55.0 -85.9 63.3 15.4 34.0 65.0 33 33 A G S S- 0 0 3 -2,-2.0 144,-0.3 7,-0.3 7,-0.2 -0.953 104.6 -44.8-169.5 176.4 16.9 34.2 68.5 34 34 A P - 0 0 64 0, 0.0 5,-0.3 0, 0.0 -7,-0.1 -0.242 55.1-122.7 -54.2 140.6 16.0 35.3 72.0 35 35 A A S S+ 0 0 79 1,-0.2 2,-0.9 3,-0.1 -3,-0.0 0.834 99.0 59.5 -57.1 -41.7 14.4 38.8 72.0 36 36 A S S S+ 0 0 126 2,-0.0 2,-0.2 0, 0.0 -1,-0.2 -0.807 107.8 15.2 -98.3 101.2 17.0 40.5 74.3 37 37 A G S S- 0 0 51 -2,-0.9 -4,-0.1 1,-0.1 0, 0.0 -0.751 85.4 -88.2 128.8-176.5 20.4 40.1 72.7 38 38 A D S S+ 0 0 97 -2,-0.2 -11,-1.7 -11,-0.1 2,-0.3 -0.033 79.8 116.4-122.5 26.2 22.0 39.3 69.3 39 39 A A B -I 26 0C 56 -5,-0.3 -13,-0.1 -13,-0.2 2,-0.1 -0.663 58.8-123.8 -97.0 152.9 22.3 35.5 69.7 40 40 A Q - 0 0 47 -15,-0.6 -7,-0.3 -2,-0.3 -13,-0.1 -0.401 31.0 -99.6 -79.7 164.6 20.6 32.8 67.6 41 41 A F - 0 0 44 -9,-1.4 3,-0.5 -14,-0.2 4,-0.4 -0.226 43.8 -98.9 -67.7 173.6 18.4 30.0 69.0 42 42 A G S S+ 0 0 84 1,-0.2 4,-0.3 2,-0.1 3,-0.2 0.763 117.9 55.5 -68.6 -26.3 20.0 26.6 69.5 43 43 A W S >> S+ 0 0 41 1,-0.2 4,-0.6 2,-0.1 3,-0.5 0.665 86.8 76.3 -83.0 -18.9 18.7 25.2 66.1 44 44 A N G >4 S+ 0 0 4 -3,-0.5 3,-1.1 1,-0.2 -1,-0.2 0.893 86.0 58.9 -65.8 -42.1 19.9 27.8 63.7 45 45 A A G 34 S+ 0 0 35 -4,-0.4 92,-0.4 1,-0.3 -1,-0.2 0.798 114.2 34.5 -61.9 -33.1 23.6 26.7 63.4 46 46 A G G <4 S+ 0 0 29 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.2 0.347 101.9 97.2-104.3 2.8 23.0 23.2 62.2 47 47 A S S << S- 0 0 7 -3,-1.1 2,-1.2 -4,-0.6 120,-0.2 -0.430 85.0-103.6 -90.9 164.1 19.9 23.8 60.1 48 48 A F + 0 0 0 118,-2.4 50,-2.3 48,-0.2 2,-0.3 -0.780 66.9 147.1 -82.7 91.5 19.4 24.4 56.4 49 49 A V E -e 98 0B 6 -2,-1.2 85,-2.2 48,-0.3 2,-0.3 -0.897 26.8-162.3-129.3 161.0 18.9 28.2 56.6 50 50 A A E -eF 99 133B 0 48,-2.2 50,-2.4 -2,-0.3 51,-1.4 -0.960 23.3-130.3-144.5 154.8 19.8 31.0 54.3 51 51 A A E -eF 101 132B 0 81,-2.5 81,-2.7 -2,-0.3 2,-0.3 -0.956 35.1-143.6-102.3 122.8 20.3 34.8 53.9 52 52 A A E -eF 102 131B 0 49,-2.2 51,-2.8 -2,-0.5 79,-0.2 -0.709 24.0 -97.9 -91.6 140.4 18.3 36.0 50.9 53 53 A S E >> -e 103 0B 2 77,-2.3 4,-2.6 -2,-0.3 3,-1.1 -0.175 48.0-101.7 -50.7 144.6 19.5 38.8 48.6 54 54 A Q H 3> S+ 0 0 18 49,-1.5 4,-2.6 59,-0.5 7,-0.2 0.794 115.7 47.7 -47.4 -54.5 18.0 42.2 49.6 55 55 A M H 34 S+ 0 0 34 58,-0.3 -1,-0.3 60,-0.3 63,-0.2 0.827 116.9 45.0 -68.2 -26.1 15.2 42.7 47.0 56 56 A Y H <4 S+ 0 0 5 -3,-1.1 3,-0.3 2,-0.2 12,-0.3 0.888 109.8 54.8 -75.9 -41.3 13.9 39.1 47.6 57 57 A F H < S- 0 0 0 -4,-2.6 11,-2.2 1,-0.3 12,-0.3 0.936 138.9 -15.1 -51.6 -47.9 14.2 39.4 51.3 58 58 A D >< - 0 0 8 -4,-2.6 3,-1.8 8,-0.2 -1,-0.3 -0.806 54.5-153.5-163.1 118.4 12.0 42.5 51.1 59 59 A S T 3 S+ 0 0 52 1,-0.3 -4,-0.1 -3,-0.3 -3,-0.1 0.711 99.0 61.3 -69.7 -21.7 11.2 44.5 47.9 60 60 A G T 3 S- 0 0 59 -5,-0.1 -1,-0.3 2,-0.0 -5,-0.1 0.236 119.0-110.7 -84.5 10.7 10.6 47.6 50.0 61 61 A N < + 0 0 112 -3,-1.8 -2,-0.1 1,-0.2 -6,-0.1 0.638 57.0 167.6 70.6 20.1 14.3 47.4 51.1 62 62 A K - 0 0 120 1,-0.1 -1,-0.2 -8,-0.1 4,-0.1 -0.339 28.9-161.7 -63.9 145.5 13.5 46.5 54.8 63 63 A G S S+ 0 0 50 1,-0.1 2,-0.3 2,-0.1 39,-0.1 0.263 76.9 45.7-103.1 7.4 16.4 45.2 56.9 64 64 A W S S+ 0 0 112 1,-0.1 -34,-0.2 -34,-0.1 -1,-0.1 -0.979 118.2 1.3-154.6 131.4 14.2 43.6 59.5 65 65 A d S S- 0 0 39 -36,-2.4 -35,-0.1 -2,-0.3 -1,-0.1 0.914 81.9-168.9 52.6 51.8 11.1 41.3 59.2 66 66 A G > - 0 0 7 -37,-0.4 3,-1.9 1,-0.1 -8,-0.2 -0.230 35.4 -99.4 -65.5 159.5 11.2 41.3 55.5 67 67 A Q T 3 S+ 0 0 105 1,-0.3 -9,-0.2 3,-0.0 -10,-0.1 0.797 121.2 44.4 -41.4 -45.6 8.3 39.9 53.3 68 68 A H T > S+ 0 0 26 -11,-2.2 3,-1.8 -12,-0.3 31,-0.3 0.289 76.2 132.1-101.9 12.5 10.1 36.5 52.8 69 69 A b T < S+ 0 0 15 -3,-1.9 31,-0.2 -12,-0.3 3,-0.1 -0.410 79.9 16.1 -54.9 133.7 11.3 35.9 56.4 70 70 A G T 3 S+ 0 0 9 29,-2.9 2,-0.2 1,-0.3 -1,-0.2 0.375 92.7 134.9 81.9 -4.2 10.4 32.3 57.2 71 71 A Q < - 0 0 46 -3,-1.8 28,-2.8 28,-0.2 2,-0.4 -0.577 49.7-135.2 -79.1 140.6 9.8 31.2 53.6 72 72 A e E -GH 98 155B 1 83,-0.6 83,-2.1 -2,-0.2 2,-0.5 -0.836 16.3-165.2 -99.8 135.4 11.2 27.9 52.5 73 73 A I E -GH 97 154B 0 24,-2.6 24,-2.6 -2,-0.4 2,-0.6 -0.981 10.5-147.2-121.8 120.3 13.0 27.6 49.2 74 74 A K E -GH 96 153B 53 79,-2.6 79,-1.3 -2,-0.5 2,-0.4 -0.805 17.3-159.8 -88.4 120.9 13.8 24.2 47.6 75 75 A L E -GH 95 152B 0 20,-2.7 20,-1.3 -2,-0.6 2,-0.4 -0.877 7.2-167.3-104.1 135.5 17.0 24.3 45.6 76 76 A T E -GH 94 151B 33 75,-2.5 75,-2.2 -2,-0.4 18,-0.2 -0.988 24.5-121.9-120.9 128.4 17.9 21.7 42.9 77 77 A T E - H 0 150B 2 16,-2.7 15,-2.3 -2,-0.4 73,-0.2 -0.421 12.8-161.4 -71.5 139.4 21.4 21.6 41.5 78 78 A T E - 0 0 0 71,-2.2 13,-0.2 2,-0.2 -1,-0.1 0.645 47.4-109.6 -83.7 -18.9 21.9 22.1 37.8 79 79 A G E S+ 0 0 14 70,-0.5 10,-0.7 1,-0.4 12,-0.1 0.139 88.0 100.7 100.4 -15.7 25.4 20.5 37.8 80 80 A G E - 0 0 0 69,-0.2 69,-2.3 8,-0.1 -1,-0.4 -0.270 45.8-177.4 -96.2-176.7 27.0 23.9 37.2 81 81 A Y E - H 0 148B 55 -80,-1.7 5,-0.1 67,-0.3 66,-0.1 -0.945 41.8 -84.4-170.6 159.0 28.8 26.6 39.3 82 82 A V > - 0 0 7 65,-0.6 3,-2.5 3,-0.3 4,-0.0 -0.683 58.2-103.6 -76.8 123.6 30.3 30.0 38.7 83 83 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.209 103.5 5.0 -51.8 131.3 33.9 29.5 37.5 84 84 A G T 3 S+ 0 0 78 2,-0.3 3,-0.1 1,-0.1 -2,-0.0 0.471 123.4 73.2 73.6 3.7 36.4 30.2 40.3 85 85 A Q S < S- 0 0 77 -3,-2.5 -3,-0.3 62,-0.1 2,-0.3 -0.048 108.0 -5.0-135.9 27.8 33.6 30.7 42.8 86 86 A G - 0 0 18 -5,-0.1 -2,-0.3 -66,-0.1 61,-0.2 -0.963 68.6-122.2 168.7-168.8 32.4 27.1 43.3 87 87 A G - 0 0 8 59,-2.0 59,-0.3 -2,-0.3 -5,-0.1 -0.943 38.0 -53.1-157.5 176.4 32.9 23.5 42.0 88 88 A P + 0 0 103 0, 0.0 2,-0.3 0, 0.0 58,-0.2 -0.158 48.7 168.2 -60.5 147.1 31.4 20.4 40.4 89 89 A V - 0 0 24 -10,-0.7 2,-0.1 56,-0.1 56,-0.1 -0.981 41.7 -90.7-152.3 152.4 28.4 18.6 41.8 90 90 A R > - 0 0 186 -2,-0.3 3,-0.8 1,-0.1 -11,-0.3 -0.425 48.0-115.8 -60.9 138.4 25.9 15.9 40.7 91 91 A E T 3 S+ 0 0 95 -13,-0.2 -13,-0.2 1,-0.2 -1,-0.1 -0.540 92.7 32.2 -73.8 142.9 22.9 17.4 38.9 92 92 A G T 3 S+ 0 0 49 -15,-2.3 -1,-0.2 1,-0.3 2,-0.2 0.467 75.2 138.4 92.6 4.4 19.5 16.9 40.5 93 93 A L < - 0 0 45 -3,-0.8 -16,-2.7 -16,-0.0 2,-0.3 -0.552 32.3-171.3 -74.0 147.0 20.4 17.0 44.2 94 94 A S E + G 0 76B 47 -18,-0.2 2,-0.3 -2,-0.2 -18,-0.2 -0.983 21.3 163.1-151.4 138.4 18.0 19.0 46.3 95 95 A K E - G 0 75B 58 -20,-1.3 -20,-2.7 -2,-0.3 2,-0.4 -0.948 31.3-122.1-142.2 161.1 17.5 20.4 49.8 96 96 A T E - G 0 74B 2 -2,-0.3 2,-0.4 -22,-0.2 -22,-0.3 -0.901 22.1-163.9-112.7 134.8 15.2 23.0 51.2 97 97 A F E - G 0 73B 1 -24,-2.6 -24,-2.6 -2,-0.4 2,-0.5 -0.939 13.5-138.1-120.1 133.7 16.4 26.1 53.1 98 98 A M E -eG 49 72B 0 -50,-2.3 -48,-2.2 -2,-0.4 2,-0.6 -0.789 24.4-123.3 -87.2 131.7 14.4 28.5 55.3 99 99 A I E +e 50 0B 0 -28,-2.8 -29,-2.9 -2,-0.5 -48,-0.2 -0.641 47.1 153.1 -72.9 115.5 15.1 32.2 54.9 100 100 A T E + 0 0 10 -50,-2.4 -70,-1.2 -2,-0.6 -68,-0.4 0.377 58.3 27.5-119.9 -2.9 16.2 33.5 58.3 101 101 A N E S-e 51 0B 19 -51,-1.4 -49,-2.2 -72,-0.2 2,-0.4 -0.923 72.8-105.2-154.5 171.7 18.4 36.4 57.3 102 102 A L E -e 52 0B 26 -51,-0.3 -49,-0.2 -2,-0.3 -73,-0.1 -0.877 9.6-153.3-105.8 136.7 19.3 39.2 54.8 103 103 A f E -e 53 0B 1 -51,-2.8 -49,-1.5 -2,-0.4 -46,-0.1 -0.931 35.1-143.0-100.6 99.5 22.2 39.3 52.3 104 104 A P - 0 0 37 0, 0.0 2,-1.9 0, 0.0 5,-0.2 -0.347 14.5-117.5 -74.1 149.0 22.5 43.1 52.0 105 105 A N S S+ 0 0 80 7,-0.1 2,-0.3 8,-0.1 5,-0.1 -0.547 84.7 89.6 -80.8 72.2 23.3 44.9 48.8 106 106 A I S > S- 0 0 103 -2,-1.9 3,-2.8 0, 0.0 7,-0.1 -0.948 80.7 -31.6-154.9 162.7 26.5 46.4 50.2 107 107 A Y T 3 S+ 0 0 189 1,-0.3 -2,-0.0 -2,-0.3 0, 0.0 -0.369 122.7 27.6 -54.5 137.6 30.2 45.3 50.3 108 108 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.3 0, 0.0 3,-0.3 -0.905 126.7 47.2 -97.0 21.8 31.2 42.5 50.5 109 109 A N S X> S+ 0 0 28 -3,-2.8 4,-2.6 -5,-0.2 3,-1.4 0.177 72.7 117.2-103.7 14.6 28.1 41.1 48.7 110 110 A Q T 34 S+ 0 0 65 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.652 76.2 47.2 -62.7 -21.5 28.1 43.7 45.9 111 111 A D T 34 S+ 0 0 44 -3,-0.3 13,-1.9 12,-0.1 14,-0.4 0.649 124.0 29.3 -89.7 -17.6 28.6 41.0 43.1 112 112 A W T <4 S+ 0 0 23 -3,-1.4 -2,-0.2 11,-0.2 3,-0.2 0.696 121.3 38.8-115.7 -33.4 25.9 38.6 44.4 113 113 A f S < S+ 0 0 1 -4,-2.6 -59,-0.5 -9,-0.2 -58,-0.3 0.107 81.9 104.9-117.2 22.6 23.0 40.4 46.2 114 114 A N + 0 0 42 -5,-0.2 8,-0.2 -4,-0.1 -1,-0.1 0.091 37.2 144.3 -98.7 20.0 22.7 43.5 44.0 115 115 A Q - 0 0 4 -3,-0.2 -60,-0.3 1,-0.1 8,-0.1 -0.368 44.7-144.3 -57.1 138.8 19.5 42.6 42.0 116 116 A G S S+ 0 0 70 6,-0.2 2,-0.3 -62,-0.1 -1,-0.1 0.613 76.8 27.5 -83.1 -13.6 17.5 45.8 41.4 117 117 A S S S- 0 0 49 11,-0.1 4,-0.3 1,-0.1 -62,-0.1 -0.924 83.0-108.6-144.9 163.6 14.1 44.2 41.8 118 118 A Q S S+ 0 0 30 -2,-0.3 2,-0.3 -63,-0.2 -1,-0.1 0.885 105.7 14.1 -65.4 -40.3 12.5 41.3 43.5 119 119 A Y S S+ 0 0 122 1,-0.1 -1,-0.1 -64,-0.0 3,-0.1 -0.919 122.4 29.0-127.0 157.2 12.0 39.4 40.2 120 120 A G S S+ 0 0 46 -2,-0.3 -2,-0.1 1,-0.2 2,-0.1 0.372 92.2 106.1 81.2 -7.0 13.5 39.9 36.8 121 121 A G - 0 0 7 -4,-0.3 2,-0.3 7,-0.3 -1,-0.2 -0.141 55.3-139.3 -89.0-167.3 16.8 41.5 37.9 122 122 A H - 0 0 94 -8,-0.2 -6,-0.2 6,-0.1 6,-0.2 -0.993 8.0-137.7-155.7 143.3 20.3 40.1 38.0 123 123 A N > - 0 0 1 4,-1.3 3,-1.8 -2,-0.3 -11,-0.2 -0.255 58.5 -79.9 -81.3-174.0 23.4 40.0 40.1 124 124 A K T 3 S+ 0 0 131 -13,-1.9 -12,-0.1 1,-0.3 -13,-0.1 0.679 135.0 50.1 -69.8 -12.4 26.8 40.4 38.3 125 125 A Y T 3 S- 0 0 66 -14,-0.4 -1,-0.3 2,-0.1 -13,-0.1 0.334 124.0-101.6-103.8 2.8 26.7 36.7 37.2 126 126 A G S < S+ 0 0 14 -3,-1.8 -117,-2.4 1,-0.2 2,-0.3 0.407 72.7 138.5 101.7 0.9 23.1 37.0 35.8 127 127 A Y - 0 0 0 -119,-0.2 -4,-1.3 1,-0.1 -1,-0.2 -0.653 45.4-152.8 -92.3 134.6 20.9 35.5 38.5 128 128 A E S S+ 0 0 22 -112,-0.5 2,-0.3 -2,-0.3 -7,-0.3 0.623 85.8 33.7 -76.5 -14.1 17.6 37.0 39.7 129 129 A L E -d 17 0B 1 -113,-0.6 -111,-1.7 -8,-0.0 2,-0.4 -0.992 64.2-171.3-138.9 142.7 17.9 35.4 43.2 130 130 A H E -d 18 0B 0 -2,-0.3 -77,-2.3 -113,-0.2 2,-0.4 -0.999 3.6-166.9-131.1 136.6 21.0 34.7 45.4 131 131 A L E -dF 19 52B 0 -113,-2.2 -111,-1.6 -2,-0.4 2,-0.5 -0.988 13.5-149.9-121.6 126.9 21.0 32.7 48.7 132 132 A D E -dF 20 51B 13 -81,-2.7 -81,-2.5 -2,-0.4 2,-0.5 -0.847 25.6-147.4 -84.6 125.6 23.9 32.7 51.1 133 133 A L E -dF 21 50B 0 -113,-2.0 -111,-2.3 -2,-0.5 -83,-0.2 -0.873 14.2-117.8-103.7 122.8 23.7 29.2 52.7 134 134 A E E +d 22 0B 6 -85,-2.2 -111,-0.2 -2,-0.5 -85,-0.2 -0.386 44.5 159.0 -59.8 129.3 24.7 28.7 56.3 135 135 A N > + 0 0 24 -113,-2.7 3,-2.1 -2,-0.1 -112,-0.2 0.135 27.8 120.7-141.8 17.4 27.7 26.2 56.4 136 136 A G T 3 S+ 0 0 42 -114,-0.3 -113,-0.1 1,-0.3 -90,-0.1 0.720 88.6 40.0 -63.0 -21.3 29.4 26.7 59.7 137 137 A R T 3 S- 0 0 182 -92,-0.4 -1,-0.3 -90,-0.1 -2,-0.0 0.125 118.2-110.2-110.9 17.7 28.8 23.1 60.6 138 138 A S S <> S+ 0 0 68 -3,-2.1 4,-2.1 1,-0.1 5,-0.1 0.701 71.6 143.0 61.4 26.4 29.5 21.8 57.0 139 139 A Q T 4 S+ 0 0 10 2,-0.2 4,-0.2 1,-0.1 -4,-0.1 0.820 78.6 32.6 -63.7 -30.2 25.9 21.0 56.5 140 140 A V T >4>S+ 0 0 0 2,-0.1 5,-1.5 -6,-0.1 3,-1.4 0.899 121.5 44.5 -92.4 -51.8 26.2 22.1 52.8 141 141 A T G >45S+ 0 0 59 1,-0.3 3,-1.9 3,-0.2 -2,-0.2 0.793 102.3 69.4 -66.5 -23.3 29.8 21.2 51.9 142 142 A G G 3<5S+ 0 0 68 -4,-2.1 -1,-0.3 1,-0.3 -3,-0.1 0.760 98.2 51.9 -61.7 -26.0 29.3 17.8 53.6 143 143 A M G < 5S- 0 0 50 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.306 125.8-103.9 -87.1 4.2 27.0 17.0 50.7 144 144 A G T < 5S+ 0 0 45 -3,-1.9 2,-1.0 1,-0.2 -3,-0.2 0.641 74.6 145.3 78.9 13.1 29.6 18.0 48.1 145 145 A W < + 0 0 3 -5,-1.5 2,-0.8 -56,-0.1 -1,-0.2 -0.765 20.5 174.6 -88.7 101.9 27.8 21.3 47.5 146 146 A N S S- 0 0 76 -2,-1.0 -59,-2.0 -59,-0.3 -61,-0.1 -0.839 77.4 -50.1-105.0 88.0 30.5 24.0 46.8 147 147 A N S S- 0 0 21 -2,-0.8 -65,-0.6 -61,-0.2 -128,-0.3 0.896 83.0-162.0 47.6 53.4 28.4 27.0 45.8 148 148 A P E - H 0 81B 0 0, 0.0 2,-0.3 0, 0.0 -67,-0.3 -0.266 20.4-116.7 -64.3 148.3 26.3 25.1 43.3 149 149 A E E - 0 0 3 -69,-2.3 -71,-2.2 -148,-0.2 -70,-0.5 -0.675 48.5-178.3 -71.2 138.7 24.2 26.8 40.5 150 150 A T E -CH 17 77B 0 -133,-2.1 -133,-2.3 -2,-0.3 2,-0.3 -0.889 34.8-130.2-137.0 163.6 20.6 25.9 41.2 151 151 A T E -CH 16 76B 10 -75,-2.2 -75,-2.5 -2,-0.3 2,-0.3 -0.880 37.4-153.7-106.7 154.0 17.0 26.2 40.2 152 152 A W E + H 0 75B 39 -137,-1.5 2,-0.3 -2,-0.3 -137,-0.2 -0.912 21.4 170.9-136.1 152.4 14.6 27.3 42.9 153 153 A E E - H 0 74B 95 -79,-1.3 -79,-2.6 -2,-0.3 2,-0.4 -0.983 36.4-106.2-155.0 153.2 10.9 27.1 44.0 154 154 A V E + H 0 73B 75 -2,-0.3 2,-0.3 -81,-0.2 -81,-0.2 -0.696 44.4 172.9 -83.2 134.3 8.8 28.0 47.1 155 155 A V E - H 0 72B 29 -83,-2.1 -83,-0.6 -2,-0.4 2,-0.5 -0.902 40.0 -88.4-136.7 164.3 7.7 25.0 49.2 156 156 A N > - 0 0 88 -2,-0.3 4,-1.4 1,-0.1 3,-0.2 -0.655 31.8-144.4 -74.6 122.7 5.9 24.2 52.5 157 157 A e H > S+ 0 0 3 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.851 95.9 55.4 -56.5 -40.9 8.5 24.1 55.3 158 158 A D H > S+ 0 0 64 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.909 104.2 52.8 -64.0 -41.4 6.7 21.3 57.2 159 159 A S H > S+ 0 0 58 1,-0.2 4,-0.6 -3,-0.2 -1,-0.2 0.895 115.4 40.6 -59.8 -42.2 6.6 18.9 54.2 160 160 A E H >X S+ 0 0 37 -4,-1.4 4,-1.9 2,-0.2 3,-0.7 0.845 106.9 61.7 -78.8 -35.4 10.4 19.2 53.7 161 161 A H H 3< S+ 0 0 43 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.876 98.6 60.7 -54.1 -37.6 11.2 19.1 57.4 162 162 A N H 3< S+ 0 0 114 -4,-1.7 -1,-0.2 1,-0.2 3,-0.2 0.840 108.3 41.3 -59.0 -38.4 9.7 15.7 57.4 163 163 A H H << S+ 0 0 143 -3,-0.7 2,-0.3 -4,-0.6 -1,-0.2 0.775 135.0 14.3 -79.4 -33.0 12.2 14.4 54.9 164 164 A D >< - 0 0 26 -4,-1.9 3,-2.2 3,-0.1 -1,-0.3 -0.853 64.3-154.9-148.7 109.8 15.2 16.2 56.5 165 165 A H T 3 S+ 0 0 136 -2,-0.3 4,-0.1 1,-0.3 -4,-0.1 0.657 88.9 76.4 -63.6 -17.2 14.9 17.6 60.0 166 166 A R T 3 S+ 0 0 93 -119,-0.1 -118,-2.4 2,-0.1 -1,-0.3 0.758 77.9 81.7 -64.5 -26.5 17.6 20.1 59.2 167 167 A T S < S- 0 0 2 -3,-2.2 -3,-0.1 -7,-0.2 -70,-0.1 -0.749 95.2-120.9 -74.5 116.8 15.0 22.1 57.2 168 168 A P - 0 0 0 0, 0.0 -7,-0.2 0, 0.0 -8,-0.1 -0.260 21.5-125.6 -61.5 147.2 13.2 24.1 60.0 169 169 A S > - 0 0 14 -4,-0.1 4,-1.9 -8,-0.1 5,-0.2 -0.381 24.7-107.4 -80.0 164.6 9.5 23.6 60.5 170 170 A N H > S+ 0 0 65 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.874 121.7 59.5 -58.7 -37.2 6.9 26.4 60.5 171 171 A S H 4 S+ 0 0 92 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.895 103.8 50.7 -57.0 -43.6 6.6 25.8 64.3 172 172 A M H >4 S+ 0 0 32 1,-0.2 3,-1.8 2,-0.2 4,-0.3 0.923 106.5 53.1 -61.7 -44.3 10.3 26.6 64.6 173 173 A Y H >< S+ 0 0 30 -4,-1.9 3,-2.1 1,-0.3 6,-0.3 0.846 96.1 70.6 -60.8 -30.4 9.9 29.8 62.6 174 174 A G T 3< S+ 0 0 29 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.693 88.7 63.3 -58.0 -21.4 7.1 30.7 65.1 175 175 A Q T < S+ 0 0 94 -3,-1.8 -1,-0.3 -4,-0.4 -142,-0.2 0.678 85.4 95.2 -69.6 -24.4 9.8 31.2 67.7 176 176 A c S X S- 0 0 0 -3,-2.1 3,-1.6 -4,-0.3 4,-0.3 -0.469 81.4-127.1 -76.7 145.3 11.3 34.1 65.7 177 177 A Q G > S+ 0 0 96 -146,-2.2 3,-1.6 -144,-0.3 -146,-0.2 0.837 106.9 61.0 -61.3 -33.5 10.3 37.7 66.5 178 178 A d G 3 S+ 0 0 24 -148,-1.6 -1,-0.3 1,-0.3 -147,-0.1 0.630 88.1 71.3 -73.8 -11.6 9.2 38.4 62.9 179 179 A A G < 0 0 43 -3,-1.6 -1,-0.3 -6,-0.3 -2,-0.2 0.636 360.0 360.0 -70.2 -13.3 6.6 35.7 63.0 180 180 A H < 0 0 183 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.1 -0.374 360.0 360.0-131.2 360.0 4.6 38.0 65.3