==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 02-FEB-12 4DJV . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.STRICKLAND,J.CUMMING . 779 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33186.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 521 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 224 28.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 0.3 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 . 85 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 6 0 2 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 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 0 PARALLEL BRIDGES PER LADDER . 4 8 4 6 6 8 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 4 0 0 0 0 0 0 0 0 2 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 58 A G 0 0 61 0, 0.0 3,-0.3 0, 0.0 183,-0.1 0.000 360.0 360.0 360.0 108.6 36.7 -15.4 29.5 2 59 A S + 0 0 97 181,-0.3 3,-0.2 1,-0.2 182,-0.1 0.469 360.0 59.2 -95.6 -0.7 33.7 -17.4 28.3 3 60 A F >> + 0 0 59 1,-0.1 3,-1.4 2,-0.1 4,-1.3 -0.391 54.3 151.4-126.3 57.6 32.7 -15.1 25.5 4 61 A V T 34 + 0 0 118 -3,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.829 69.6 62.3 -54.3 -39.7 35.7 -15.0 23.1 5 62 A E T 34 S+ 0 0 104 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.758 113.1 37.0 -60.6 -26.7 33.6 -14.3 20.0 6 63 A M T X4 S+ 0 0 12 -3,-1.4 3,-1.3 171,-0.0 172,-0.7 0.629 89.2 108.0-101.4 -15.8 32.4 -11.0 21.5 7 64 A V T 3< S+ 0 0 35 -4,-1.3 170,-0.1 -3,-0.3 87,-0.0 -0.405 90.4 10.7 -64.4 137.3 35.6 -9.9 23.2 8 65 A D T 3 S+ 0 0 89 149,-0.1 -1,-0.2 1,-0.1 169,-0.2 0.750 85.2 132.1 68.5 29.2 37.2 -6.9 21.4 9 66 A N < + 0 0 18 -3,-1.3 12,-0.6 84,-0.1 2,-0.3 0.424 49.5 83.5 -92.2 2.0 34.2 -6.3 19.2 10 67 A L E -AB 20 176A 1 166,-2.5 165,-2.7 10,-0.1 166,-0.8 -0.761 50.5-180.0-105.3 153.1 34.1 -2.5 19.8 11 68 A R E +A 19 0A 73 8,-1.7 8,-2.8 -2,-0.3 2,-0.3 -0.924 37.7 61.6-137.8 164.6 36.0 0.4 18.2 12 69 A G E -A 18 0A 8 158,-0.5 2,-0.3 -2,-0.3 6,-0.3 -0.800 62.6-102.7 120.6-161.7 35.9 4.2 18.8 13 70 A K E >> -A 17 0A 64 4,-1.2 4,-2.6 -2,-0.3 3,-0.9 -0.973 34.0 -91.9-161.8 167.8 36.6 6.6 21.6 14 71 A S T 34 S+ 0 0 12 -2,-0.3 325,-0.2 1,-0.2 326,-0.1 0.836 118.4 52.6 -59.6 -36.3 34.9 8.8 24.2 15 72 A G T 34 S+ 0 0 25 1,-0.2 -1,-0.2 2,-0.1 221,-0.1 0.738 125.4 22.2 -71.0 -27.0 34.7 11.9 22.0 16 73 A Q T <4 S- 0 0 52 -3,-0.9 -2,-0.2 1,-0.1 -1,-0.2 0.525 114.5 -97.9-120.6 -8.0 33.1 10.2 19.0 17 74 A G E < -A 13 0A 11 -4,-2.6 -4,-1.2 17,-0.0 2,-0.4 -0.012 25.9 -96.3 103.4 151.6 31.4 7.1 20.4 18 75 A Y E -A 12 0A 2 215,-0.4 17,-3.1 17,-0.3 2,-0.3 -0.871 45.8-170.2-103.8 134.3 32.1 3.3 20.7 19 76 A Y E -AC 11 34A 5 -8,-2.8 -8,-1.7 -2,-0.4 2,-0.3 -0.915 17.9-153.5-132.4 157.4 30.5 1.2 17.9 20 77 A V E -AC 10 33A 2 13,-2.4 13,-2.7 -2,-0.3 2,-0.3 -0.922 30.0-109.0-124.9 146.5 29.9 -2.4 17.0 21 78 A E E + C 0 32A 60 -12,-0.6 72,-0.4 -2,-0.3 2,-0.3 -0.581 43.0 170.3 -75.9 139.3 29.5 -4.0 13.6 22 79 A M E - C 0 31A 0 9,-3.0 9,-2.6 -2,-0.3 2,-0.4 -0.908 24.0-138.1-138.4 166.0 26.0 -5.1 12.7 23 80 A T E -DC 90 30A 17 67,-2.3 67,-2.0 -2,-0.3 2,-0.4 -0.981 15.2-169.7-127.4 143.6 24.2 -6.3 9.5 24 81 A V E > +DC 89 29A 1 5,-2.0 5,-2.3 -2,-0.4 65,-0.2 -0.994 45.9 2.7-132.1 138.5 20.7 -5.3 8.3 25 82 A G T 5S- 0 0 6 63,-2.1 36,-0.1 -2,-0.4 4,-0.1 -0.055 88.2 -44.6 87.6 178.0 18.6 -6.9 5.5 26 83 A S T 5S+ 0 0 30 2,-0.1 36,-2.5 1,-0.1 37,-0.3 -0.985 131.0 30.0-133.9 119.1 18.9 -9.7 3.1 27 84 A P T 5S- 0 0 100 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.656 121.8-102.8 -64.0 156.7 21.5 -10.0 1.6 28 85 A P T 5 - 0 0 88 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.329 29.5-152.9 -60.5 134.0 23.2 -8.6 4.8 29 86 A Q E < -C 24 0A 32 -5,-2.3 -5,-2.0 -4,-0.1 2,-0.3 -0.951 17.7-135.4-104.5 118.0 24.3 -4.9 4.6 30 87 A T E +C 23 0A 53 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.587 31.5 168.4 -77.5 132.1 27.2 -4.2 7.0 31 88 A L E -C 22 0A 3 -9,-2.6 -9,-3.0 -2,-0.3 2,-0.4 -0.985 34.3-126.3-140.0 149.0 27.0 -1.0 9.2 32 89 A N E -C 21 0A 3 -2,-0.3 88,-3.2 -11,-0.2 89,-0.8 -0.830 33.9-162.1 -94.7 130.5 29.0 0.3 12.2 33 90 A I E -Ce 20 121A 0 -13,-2.7 -13,-2.4 -2,-0.4 89,-0.3 -0.968 18.8-119.6-128.8 128.5 26.6 1.2 15.0 34 91 A L E -Ce 19 122A 16 87,-3.0 89,-3.3 -2,-0.4 2,-0.8 -0.305 25.3-130.5 -61.5 129.9 27.0 3.4 18.1 35 92 A V E - e 0 123A 0 -17,-3.1 2,-0.5 87,-0.2 -17,-0.3 -0.765 35.9-179.8 -85.4 111.9 26.5 1.5 21.3 36 93 A D E > + e 0 124A 15 87,-2.4 89,-2.9 -2,-0.8 3,-1.0 -0.847 27.9 171.9-125.7 99.7 24.0 3.8 23.1 37 94 A T T 3 S+ 0 0 0 -2,-0.5 166,-0.5 1,-0.2 194,-0.2 0.461 79.5 68.3 -79.8 -1.5 22.7 3.0 26.6 38 95 A G T 3 S+ 0 0 14 164,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.265 101.7 38.4-100.7 7.7 21.0 6.5 26.7 39 96 A S < - 0 0 27 -3,-1.0 87,-3.0 84,-0.2 92,-0.1 -0.917 63.8-142.0-148.6 172.1 18.3 5.9 24.0 40 97 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.286 63.9 93.0-129.3 11.3 16.0 3.2 22.9 41 98 A N - 0 0 9 89,-0.1 83,-1.4 98,-0.1 2,-0.9 -0.865 62.6-139.6-106.6 144.8 15.8 3.2 19.1 42 99 A F E +F 123 0A 7 -2,-0.4 62,-2.6 81,-0.2 2,-0.5 -0.883 40.0 173.1 -96.0 103.8 17.8 1.3 16.5 43 100 A A E -Fg 122 104A 0 79,-2.1 79,-3.0 -2,-0.9 2,-0.4 -0.990 8.4-176.5-126.4 121.9 18.2 4.2 14.0 44 101 A V E -Fg 121 105A 0 60,-2.6 62,-3.3 -2,-0.5 77,-0.3 -0.954 35.6-100.9-125.4 143.9 20.4 4.0 10.9 45 102 A G E + g 0 106A 1 75,-3.2 11,-2.7 -2,-0.4 62,-0.1 -0.342 41.5 170.8 -55.2 127.4 21.4 6.3 8.1 46 103 A A + 0 0 10 60,-2.6 12,-0.2 9,-0.2 -1,-0.1 0.139 57.6 44.3-131.7 19.6 19.2 5.4 5.1 47 104 A A S S- 0 0 26 59,-0.3 -1,-0.1 7,-0.1 7,-0.1 -0.977 100.0 -70.5-157.1 154.6 20.0 8.2 2.7 48 105 A P + 0 0 106 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.170 51.6 172.1 -53.4 139.5 23.2 10.0 1.5 49 106 A H > - 0 0 47 3,-0.4 3,-2.2 -4,-0.1 5,-0.1 -0.968 42.8-118.3-145.5 141.3 24.9 12.3 4.1 50 107 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.788 115.6 46.1 -51.1 -32.0 28.2 14.1 3.9 51 108 A F T 3 S+ 0 0 93 64,-0.1 2,-0.5 -3,-0.0 65,-0.3 0.339 98.7 84.1 -95.0 5.1 29.6 12.2 6.9 52 109 A L < - 0 0 21 -3,-2.2 -3,-0.4 1,-0.1 3,-0.1 -0.931 45.0-178.9-111.4 129.9 28.4 8.7 5.7 53 110 A H S S+ 0 0 135 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.404 81.5 17.6-101.4 -1.6 30.3 6.5 3.3 54 111 A R + 0 0 72 -7,-0.1 2,-0.3 -5,-0.1 -1,-0.2 -0.973 65.9 177.0-158.8 159.9 27.6 3.9 3.5 55 112 A Y - 0 0 67 -2,-0.3 2,-0.4 -9,-0.1 -9,-0.2 -0.972 42.0 -76.0-161.2 163.6 23.9 3.6 4.6 56 113 A Y - 0 0 3 -11,-2.7 2,-0.7 -2,-0.3 -31,-0.1 -0.565 36.5-159.9 -69.7 124.6 21.0 1.2 4.7 57 114 A Q > - 0 0 63 -2,-0.4 3,-1.6 1,-0.2 4,-0.3 -0.866 7.0-173.9-111.5 91.7 19.4 0.7 1.3 58 115 A R G > S+ 0 0 42 -2,-0.7 3,-1.6 1,-0.3 6,-0.3 0.821 80.8 63.3 -55.8 -36.3 15.9 -0.7 2.0 59 116 A Q G 3 S+ 0 0 144 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.665 101.1 54.2 -65.1 -18.9 15.1 -1.3 -1.7 60 117 A L G < S+ 0 0 99 -3,-1.6 2,-0.6 -33,-0.0 -1,-0.3 0.422 91.8 86.8 -94.0 -2.9 18.1 -3.9 -1.8 61 118 A S X - 0 0 10 -3,-1.6 3,-0.9 -4,-0.3 -36,-0.1 -0.897 56.2-166.5-105.9 118.9 16.7 -5.9 1.1 62 119 A S T 3 S+ 0 0 105 -36,-2.5 -1,-0.1 -2,-0.6 -4,-0.0 0.635 92.6 52.9 -70.2 -19.0 14.1 -8.7 0.3 63 120 A T T 3 S+ 0 0 29 -37,-0.3 -1,-0.2 -36,-0.1 -38,-0.1 0.401 79.4 123.7 -99.9 0.6 13.2 -8.9 4.1 64 121 A Y < - 0 0 56 -3,-0.9 2,-0.4 -6,-0.3 23,-0.2 -0.366 41.9-166.9 -63.2 135.3 12.5 -5.2 4.5 65 122 A R E -H 86 0A 149 21,-2.3 21,-2.3 -2,-0.1 2,-0.5 -0.995 14.0-139.2-129.1 123.0 9.0 -4.4 5.8 66 123 A D E -H 85 0A 84 -2,-0.4 19,-0.2 19,-0.2 18,-0.0 -0.736 9.4-166.2 -84.1 124.3 7.6 -0.9 5.7 67 124 A L E - 0 0 80 17,-2.0 18,-0.2 -2,-0.5 -1,-0.1 0.499 32.9-132.7 -85.0 -6.0 5.7 0.1 8.8 68 125 A R E + 0 0 233 16,-0.5 2,-0.4 1,-0.2 17,-0.1 0.867 67.0 114.4 54.7 45.0 4.2 3.2 6.9 69 126 A K E -H 84 0A 97 15,-0.5 15,-3.3 2,-0.0 -2,-0.2 -0.993 56.2-141.2-148.7 134.0 5.0 5.5 9.8 70 127 A G E -H 83 0A 50 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.464 9.7-155.2 -88.9 163.5 7.4 8.5 10.3 71 128 A V E -H 82 0A 6 11,-2.2 11,-2.7 -2,-0.2 2,-0.5 -0.990 4.4-167.7-143.9 132.1 9.4 9.3 13.3 72 129 A Y E -H 81 0A 127 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.993 5.3-179.3-126.6 116.6 10.7 12.8 14.3 73 130 A V E +H 80 0A 14 7,-3.1 7,-1.6 -2,-0.5 2,-0.2 -0.740 7.4 176.3-121.9 82.5 13.3 13.1 17.0 74 131 A P E +H 79 0A 53 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.540 5.6 168.1 -81.9 154.2 14.3 16.7 17.7 75 132 A Y - 0 0 84 3,-2.8 -2,-0.0 -2,-0.2 0, 0.0 -0.931 49.9 -90.9-154.2 167.8 16.7 17.5 20.6 76 133 A T S S+ 0 0 153 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 0.955 124.3 43.8 -47.3 -61.2 18.8 20.6 21.8 77 134 A Q S S- 0 0 137 -3,-0.1 -1,-0.2 34,-0.0 2,-0.2 0.876 130.3 -71.5 -53.2 -48.1 21.9 19.7 19.7 78 135 A G - 0 0 10 -5,-0.1 -3,-2.8 33,-0.0 2,-0.3 -0.580 55.2 -97.0-172.1-126.5 19.9 18.9 16.5 79 136 A K E -HI 74 110A 61 31,-2.4 31,-2.8 -5,-0.3 2,-0.3 -0.976 7.3-143.6-173.3 165.2 17.6 16.1 15.3 80 137 A W E -HI 73 109A 10 -7,-1.6 -7,-3.1 -2,-0.3 2,-0.3 -0.984 17.8-176.5-138.7 146.4 17.0 13.0 13.4 81 138 A E E +HI 72 108A 68 27,-2.5 26,-1.9 -2,-0.3 27,-1.7 -0.995 17.2 130.7-142.4 146.6 14.0 12.0 11.3 82 139 A G E -HI 71 106A 4 -11,-2.7 -11,-2.2 -2,-0.3 2,-0.4 -0.922 46.9 -73.5-170.0-163.7 13.0 8.9 9.4 83 140 A E E -HI 70 105A 82 22,-1.9 22,-2.8 -2,-0.3 -13,-0.2 -0.952 38.8-128.6-121.2 129.3 10.8 6.1 8.4 84 141 A L E +HI 69 104A 2 -15,-3.3 -17,-2.0 -2,-0.4 -15,-0.5 -0.536 43.0 133.2 -81.0 143.2 9.9 3.1 10.5 85 142 A G E -HI 66 103A 2 18,-1.6 18,-2.8 -19,-0.2 2,-0.3 -0.908 41.8-116.1-162.6-174.6 10.2 -0.5 9.3 86 143 A T E +HI 65 102A 16 -21,-2.3 -21,-2.3 16,-0.3 2,-0.3 -0.953 31.4 158.1-133.8 158.2 11.5 -3.9 10.3 87 144 A D E - I 0 101A 0 14,-1.8 14,-2.5 -2,-0.3 2,-0.4 -0.963 48.1 -76.2-165.2 171.0 14.2 -6.2 8.9 88 145 A L E - I 0 100A 52 -2,-0.3 -63,-2.1 12,-0.2 2,-0.4 -0.672 50.0-170.8 -80.9 130.0 16.5 -9.1 9.8 89 146 A V E +DI 24 99A 1 10,-2.9 10,-2.6 -2,-0.4 2,-0.3 -0.975 9.1 175.5-128.5 138.4 19.4 -7.9 12.0 90 147 A S E -DI 23 98A 26 -67,-2.0 -67,-2.3 -2,-0.4 8,-0.1 -0.882 26.7-139.2-136.3 163.8 22.6 -9.7 13.2 91 148 A I > - 0 0 7 6,-0.5 3,-0.7 4,-0.5 6,-0.2 -0.945 14.6-157.1-125.7 100.0 25.8 -8.8 15.1 92 149 A P T 3 S+ 0 0 46 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 0.899 94.4 39.8 -47.5 -47.8 28.7 -10.6 13.4 93 150 A H T 3 S+ 0 0 96 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.558 116.2 65.8 -99.9 63.9 30.9 -10.6 16.5 94 151 A G S < S- 0 0 0 -2,-1.1 2,-0.1 -3,-0.7 -87,-0.1 -0.642 99.1 -23.4-154.0-155.6 28.0 -11.4 18.7 95 152 A P - 0 0 20 0, 0.0 2,-1.9 0, 0.0 -4,-0.5 -0.428 66.8-114.3 -66.8 148.6 25.5 -14.1 19.6 96 153 A N S S+ 0 0 125 -6,-0.1 2,-0.3 -2,-0.1 -6,-0.0 -0.387 79.7 107.9 -85.7 63.8 25.0 -16.4 16.6 97 154 A V - 0 0 47 -2,-1.9 -6,-0.5 -6,-0.2 2,-0.4 -0.938 56.2-147.2-135.9 158.4 21.4 -15.3 16.0 98 155 A T E - I 0 90A 83 -2,-0.3 2,-0.3 -8,-0.1 -8,-0.2 -0.995 23.5-171.8-125.9 130.3 19.4 -13.3 13.5 99 156 A V E - I 0 89A 3 -10,-2.6 -10,-2.9 -2,-0.4 2,-0.7 -0.910 28.9-119.8-126.4 155.1 16.4 -11.4 14.7 100 157 A R E + I 0 88A 52 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.826 48.6 171.0 -90.1 117.2 13.5 -9.4 13.2 101 158 A A E - I 0 87A 2 -14,-2.5 -14,-1.8 -2,-0.7 2,-0.1 -0.920 38.6-100.5-129.2 155.0 13.8 -5.9 14.7 102 159 A N E - I 0 86A 29 36,-0.5 2,-0.4 -2,-0.3 -16,-0.3 -0.472 38.1-168.8 -68.6 140.2 12.4 -2.4 14.3 103 160 A I E - I 0 85A 3 -18,-2.8 -18,-1.6 -2,-0.1 2,-0.7 -0.990 16.5-150.3-134.3 128.2 14.7 -0.1 12.3 104 161 A A E -gI 43 84A 1 -62,-2.6 -60,-2.6 -2,-0.4 2,-0.9 -0.880 18.3-146.8 -96.0 115.3 14.2 3.7 11.9 105 162 A A E -gI 44 83A 1 -22,-2.8 -22,-1.9 -2,-0.7 2,-0.5 -0.781 14.9-137.8 -87.3 102.7 15.6 4.5 8.5 106 163 A I E +gI 45 82A 4 -62,-3.3 -60,-2.6 -2,-0.9 -59,-0.3 -0.552 34.3 164.8 -70.5 117.3 17.1 8.0 8.9 107 164 A T E + 0 0 36 -26,-1.9 2,-0.3 -2,-0.5 -25,-0.2 0.588 67.8 21.0-104.3 -20.8 16.2 10.2 5.9 108 165 A E E + I 0 81A 127 -27,-1.7 -27,-2.5 2,-0.0 -1,-0.3 -0.977 66.5 166.2-149.8 141.4 17.1 13.6 7.4 109 166 A S E - I 0 80A 30 -2,-0.3 2,-0.4 -29,-0.2 -29,-0.2 -0.991 21.7-153.3-155.6 157.3 19.3 14.8 10.3 110 167 A D E S- I 0 79A 83 -31,-2.8 -31,-2.4 -2,-0.3 -2,-0.0 -0.990 83.2 -18.7-136.2 120.2 20.9 17.8 11.8 111 168 A K S S+ 0 0 150 -2,-0.4 -1,-0.1 -33,-0.2 -31,-0.1 0.833 105.7 110.3 52.1 39.8 24.1 17.6 13.9 112 169 A F + 0 0 25 -33,-0.1 -1,-0.1 -34,-0.1 -32,-0.1 0.814 60.3 58.7-104.7 -60.4 23.5 13.9 14.5 113 170 A F S S- 0 0 11 7,-0.1 2,-0.4 1,-0.1 7,-0.1 -0.370 78.5-136.4 -71.8 149.7 26.2 12.1 12.5 114 171 A I > - 0 0 60 5,-0.3 3,-1.7 -63,-0.1 4,-0.3 -0.943 17.1-116.3-111.9 131.7 29.9 12.8 13.4 115 172 A N T 3 S+ 0 0 109 -2,-0.4 -64,-0.1 1,-0.3 -63,-0.1 -0.464 100.2 4.5 -66.9 122.5 32.6 13.4 10.8 116 173 A G T 3 S+ 0 0 39 -65,-0.3 -1,-0.3 -2,-0.3 -100,-0.1 0.412 91.5 118.7 82.1 4.4 35.2 10.6 11.1 117 174 A S < - 0 0 9 -3,-1.7 -2,-0.1 2,-0.1 3,-0.1 0.700 67.8-141.6 -68.8 -24.0 33.3 8.6 13.8 118 175 A N + 0 0 34 -4,-0.3 2,-0.3 1,-0.2 -86,-0.1 0.559 62.8 113.4 69.7 10.2 33.1 5.6 11.3 119 176 A W - 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