==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 14-MAR-11 3R2F . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.K.MUCKELBAUER . 1544 4 11 11 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 62676.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1040 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 437 28.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 . 4 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 . 187 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 151 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 15 0 4 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 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 0 PARALLEL BRIDGES PER LADDER . 15 9 8 16 8 16 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 8 0 0 0 0 0 0 0 0 4 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 F >> 0 0 98 0, 0.0 3,-1.1 0, 0.0 4,-0.9 0.000 360.0 360.0 360.0 56.6 5.7 16.9 59.0 2 0 A V G >4 + 0 0 136 1,-0.3 3,-0.6 2,-0.2 180,-0.0 0.849 360.0 57.9 -60.2 -38.5 8.9 14.8 58.9 3 1 A E G 34 S+ 0 0 110 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.759 108.1 49.0 -65.4 -22.6 7.0 11.6 58.4 4 2 A M G X4 S+ 0 0 3 -3,-1.1 3,-1.0 2,-0.0 172,-0.5 0.679 87.2 106.1 -88.0 -23.2 5.5 13.1 55.2 5 3 A V T << S+ 0 0 35 -4,-0.9 170,-0.1 -3,-0.6 -3,-0.0 -0.331 82.8 13.7 -72.3 140.8 8.7 14.5 53.6 6 4 A D T 3 S+ 0 0 94 149,-0.1 -1,-0.2 -2,-0.1 169,-0.2 0.655 81.3 134.8 72.3 21.1 10.3 12.8 50.5 7 5 A N < + 0 0 17 -3,-1.0 12,-0.5 84,-0.1 2,-0.3 0.417 49.1 82.7 -79.8 -0.4 7.1 10.7 49.9 8 6 A L E +AB 18 174A 0 166,-2.8 165,-2.6 10,-0.1 166,-0.8 -0.728 50.6 177.7-104.6 155.4 7.1 11.4 46.1 9 7 A R E +A 17 0A 64 8,-1.4 8,-2.6 164,-0.3 2,-0.3 -0.945 36.4 62.7-142.5 163.9 8.9 9.8 43.2 10 8 A G E -A 16 0A 6 158,-0.4 2,-0.3 -2,-0.3 6,-0.2 -0.787 62.7-101.7 123.2-165.4 8.8 10.3 39.5 11 9 A K E >> -A 15 0A 61 4,-1.1 4,-3.0 -2,-0.3 3,-0.9 -0.959 35.5 -94.5-156.8 166.0 9.7 13.1 37.0 12 10 A S T 34 S+ 0 0 9 -2,-0.3 325,-0.2 1,-0.2 4,-0.1 0.853 119.8 49.3 -54.4 -42.7 7.8 15.7 34.9 13 11 A G T 34 S+ 0 0 22 1,-0.2 -1,-0.2 2,-0.1 221,-0.1 0.673 125.7 25.5 -75.4 -21.8 7.6 13.6 31.7 14 12 A Q T <4 S- 0 0 45 -3,-0.9 -2,-0.2 1,-0.1 -1,-0.2 0.508 115.4-108.1-117.6 -12.1 6.3 10.5 33.4 15 13 A G E < -A 11 0A 9 -4,-3.0 -4,-1.1 17,-0.1 2,-0.4 -0.019 21.5 -90.1 102.4 156.0 4.6 12.0 36.5 16 14 A Y E -A 10 0A 2 215,-0.3 17,-3.1 17,-0.3 2,-0.3 -0.900 46.4-173.5-106.7 130.5 5.0 12.2 40.2 17 15 A Y E -AC 9 32A 2 -8,-2.6 -8,-1.4 -2,-0.4 2,-0.3 -0.830 16.9-151.3-129.5 160.5 3.4 9.5 42.4 18 16 A V E -AC 8 31A 5 13,-2.3 13,-2.8 -2,-0.3 2,-0.4 -0.917 28.2-109.2-127.3 152.2 2.7 8.5 46.0 19 17 A E E + C 0 30A 58 -12,-0.5 72,-0.5 -2,-0.3 2,-0.3 -0.690 42.4 169.1 -81.8 132.5 2.3 5.2 47.7 20 18 A M E - C 0 29A 0 9,-2.4 9,-2.7 -2,-0.4 2,-0.4 -0.953 25.5-138.3-134.9 155.7 -1.2 4.2 48.8 21 19 A T E -DC 88 28A 21 67,-2.4 67,-2.3 -2,-0.3 2,-0.4 -0.948 18.3-170.3-112.6 142.0 -2.8 1.1 50.1 22 20 A V E > +DC 87 27A 0 5,-2.4 5,-2.8 -2,-0.4 65,-0.2 -0.987 43.0 2.1-127.6 143.6 -6.2 -0.1 49.0 23 21 A G T 5S- 0 0 6 63,-2.2 36,-0.1 -2,-0.4 4,-0.1 -0.017 88.7 -44.5 84.5 173.9 -8.5 -2.8 50.3 24 22 A S T 5S+ 0 0 32 1,-0.2 36,-2.5 2,-0.1 37,-0.2 -0.993 131.9 30.7-127.8 121.4 -8.3 -5.4 53.1 25 23 A P T 5S- 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.685 122.4-101.1 -65.4 158.2 -5.8 -6.8 53.4 26 24 A P T 5 - 0 0 90 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.221 31.7-152.6 -62.3 130.5 -4.0 -3.6 52.1 27 25 A Q E < -C 22 0A 29 -5,-2.8 -5,-2.4 -4,-0.1 2,-0.3 -0.929 15.6-134.0-105.2 121.7 -2.9 -3.7 48.5 28 26 A T E +C 21 0A 49 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.582 33.2 165.3 -80.5 129.1 0.1 -1.4 47.7 29 27 A L E -C 20 0A 1 -9,-2.7 -9,-2.4 -2,-0.3 2,-0.4 -0.993 35.8-129.0-146.0 138.5 -0.1 0.8 44.7 30 28 A N E -C 19 0A 4 -2,-0.3 88,-3.0 -11,-0.2 89,-1.2 -0.732 31.3-161.7 -82.2 131.7 1.8 3.8 43.3 31 29 A I E -Ce 18 119A 0 -13,-2.8 -13,-2.3 -2,-0.4 89,-0.3 -0.972 17.3-122.9-127.6 122.2 -0.7 6.6 42.4 32 30 A L E -Ce 17 120A 16 87,-2.9 89,-3.5 -2,-0.5 2,-0.7 -0.389 25.5-128.8 -61.2 133.5 -0.1 9.6 40.2 33 31 A V E + e 0 121A 1 -17,-3.1 2,-0.5 87,-0.2 -17,-0.3 -0.781 34.2 175.9 -89.5 112.7 -0.7 12.9 41.9 34 32 A D E > + e 0 122A 9 87,-2.2 89,-2.6 -2,-0.7 3,-0.8 -0.885 23.2 174.8-127.5 104.1 -3.0 14.9 39.7 35 33 A T T 3 S+ 0 0 0 -2,-0.5 166,-0.4 1,-0.2 194,-0.1 0.531 79.3 69.7 -81.5 -2.4 -4.3 18.3 40.8 36 34 A G T 3 S+ 0 0 13 164,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.125 101.9 38.2-102.4 18.3 -6.0 18.7 37.4 37 35 A S < - 0 0 8 -3,-0.8 87,-3.0 84,-0.1 92,-0.1 -0.927 63.5-144.1-155.3 174.7 -8.7 16.1 37.8 38 36 A S + 0 0 2 90,-0.3 2,-0.4 -2,-0.3 100,-0.2 0.281 61.1 101.5-134.7 10.2 -10.9 14.8 40.5 39 37 A N - 0 0 5 98,-0.1 83,-1.0 89,-0.1 2,-0.8 -0.833 56.8-146.1-103.0 134.9 -11.3 11.0 40.1 40 38 A F E +F 121 0A 8 -2,-0.4 62,-2.5 81,-0.2 2,-0.4 -0.891 36.7 164.7 -97.6 109.3 -9.5 8.4 42.2 41 39 A A E -Fg 120 102A 0 79,-2.4 79,-3.1 -2,-0.8 2,-0.3 -0.973 18.6-174.5-135.1 140.8 -8.9 5.5 39.8 42 40 A V E -Fg 119 103A 0 60,-2.4 62,-3.4 -2,-0.4 77,-0.3 -0.954 37.2 -96.4-133.7 149.8 -6.6 2.4 39.7 43 41 A G E + g 0 104A 1 75,-2.7 11,-3.6 -2,-0.3 62,-0.1 -0.489 38.8 173.6 -63.4 128.0 -5.8 -0.3 37.2 44 42 A A + 0 0 16 60,-2.0 12,-0.2 9,-0.2 -1,-0.1 0.290 59.8 50.7-122.1 4.2 -8.0 -3.3 38.0 45 43 A A S S- 0 0 33 59,-0.5 9,-0.1 7,-0.1 7,-0.1 -0.944 98.6 -78.2-139.7 158.5 -7.2 -5.6 35.1 46 44 A P + 0 0 97 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.250 50.3 175.8 -61.8 143.0 -3.9 -6.8 33.6 47 45 A H > - 0 0 56 3,-0.5 3,-0.8 1,-0.1 -4,-0.0 -0.992 40.4-122.7-146.5 144.5 -2.1 -4.3 31.4 48 46 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.863 114.5 45.6 -52.5 -36.6 1.3 -4.5 29.6 49 47 A F T 3 S+ 0 0 87 64,-0.1 2,-0.5 -3,-0.1 65,-0.4 0.599 99.3 83.8 -87.9 -12.4 2.5 -1.3 31.4 50 48 A L < - 0 0 14 -3,-0.8 -3,-0.5 1,-0.1 3,-0.1 -0.820 49.3-174.2 -97.7 122.4 1.2 -2.4 34.9 51 49 A H S S+ 0 0 155 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.609 80.8 9.7 -86.4 -15.0 3.3 -4.6 37.1 52 50 A R - 0 0 90 -7,-0.1 2,-0.3 -5,-0.0 -1,-0.2 -0.974 68.5-171.5-155.6 160.9 0.5 -4.8 39.6 53 51 A Y - 0 0 71 -2,-0.3 2,-0.4 -9,-0.1 -9,-0.2 -0.921 36.0 -79.3-148.4 172.4 -3.2 -3.9 39.9 54 52 A Y - 0 0 2 -11,-3.6 2,-0.6 -2,-0.3 -31,-0.1 -0.645 35.1-162.9 -78.6 127.5 -6.2 -3.6 42.2 55 53 A Q > - 0 0 66 -2,-0.4 3,-1.2 1,-0.1 4,-0.1 -0.885 8.3-177.4-115.7 97.6 -7.9 -6.9 42.8 56 54 A R G > S+ 0 0 37 -2,-0.6 3,-2.0 1,-0.3 6,-0.3 0.847 80.5 62.8 -63.2 -38.2 -11.4 -6.3 44.3 57 55 A Q G 3 S+ 0 0 141 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.698 102.5 53.3 -63.5 -16.7 -12.2 -9.9 44.7 58 56 A L G < S+ 0 0 93 -3,-1.2 2,-0.6 -33,-0.0 -1,-0.3 0.381 92.4 86.3 -97.1 1.6 -9.3 -10.1 47.2 59 57 A S X - 0 0 10 -3,-2.0 3,-0.8 1,-0.1 -36,-0.1 -0.919 57.1-164.7-109.8 119.9 -10.5 -7.2 49.4 60 58 A S T 3 S+ 0 0 105 -36,-2.5 -1,-0.1 -2,-0.6 -4,-0.0 0.725 91.4 49.6 -71.2 -24.2 -13.0 -7.9 52.1 61 59 A T T 3 S+ 0 0 32 -37,-0.2 -1,-0.2 25,-0.1 -38,-0.1 0.429 80.9 123.8 -96.1 -2.9 -14.0 -4.3 52.5 62 60 A Y < - 0 0 53 -3,-0.8 2,-0.5 -6,-0.3 23,-0.2 -0.323 45.2-159.2 -58.1 138.1 -14.6 -3.6 48.8 63 61 A R E -H 84 0A 147 21,-2.9 21,-2.4 -2,-0.0 2,-0.4 -0.988 8.6-142.0-125.2 122.9 -18.1 -2.2 48.0 64 62 A D E -H 83 0A 90 -2,-0.5 19,-0.2 19,-0.2 18,-0.1 -0.710 11.8-171.4 -84.6 127.2 -19.5 -2.5 44.5 65 63 A L E - 0 0 65 17,-1.9 18,-0.2 -2,-0.4 -1,-0.1 0.417 32.3-133.1 -96.7 -2.4 -21.6 0.5 43.4 66 64 A R E + 0 0 215 16,-0.4 2,-0.4 1,-0.2 17,-0.1 0.885 64.9 121.0 50.7 47.8 -22.8 -1.2 40.2 67 65 A K E -H 82 0A 100 15,-0.5 15,-3.1 2,-0.0 2,-0.2 -0.998 55.5-137.7-141.4 138.0 -22.0 1.9 38.1 68 66 A G E -H 81 0A 55 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.577 19.5-162.8 -89.9 159.7 -19.8 2.4 35.1 69 67 A V E -H 80 0A 8 11,-2.5 11,-3.3 -2,-0.2 2,-0.4 -0.994 10.1-168.9-150.2 139.4 -17.5 5.4 34.7 70 68 A Y E -H 79 0A 85 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.996 3.3-171.0-131.0 126.4 -15.6 7.0 31.9 71 69 A V E -H 78 0A 8 7,-2.2 7,-1.8 -2,-0.4 2,-0.6 -0.969 3.6-165.9-122.1 115.5 -13.0 9.7 32.2 72 70 A P E -H 77 0A 47 0, 0.0 5,-0.2 0, 0.0 2,-0.1 -0.897 9.4-170.2 -93.9 118.1 -11.6 11.6 29.1 73 71 A Y - 0 0 56 3,-3.1 3,-0.3 -2,-0.6 -36,-0.0 -0.326 45.1 -91.7 -90.0-178.1 -8.4 13.6 29.8 74 72 A T S S+ 0 0 118 1,-0.4 2,-0.4 -2,-0.1 -1,-0.1 0.945 122.5 12.2 -65.6 -44.9 -6.9 16.0 27.2 75 73 A Q S S+ 0 0 145 34,-0.0 -1,-0.4 35,-0.0 2,-0.1 -0.979 128.0 25.3-126.4 118.3 -4.8 13.1 25.9 76 74 A G - 0 0 10 -2,-0.4 -3,-3.1 -3,-0.3 2,-0.3 -0.019 57.0-155.6 110.2 147.7 -5.9 9.7 27.2 77 75 A K E -HI 72 108A 88 31,-2.3 31,-3.0 -5,-0.2 2,-0.3 -0.989 3.1-166.4-154.0 147.8 -9.0 8.0 28.5 78 76 A W E -HI 71 107A 3 -7,-1.8 -7,-2.2 -2,-0.3 2,-0.3 -0.930 9.3-148.5-131.7 163.5 -10.0 5.1 30.8 79 77 A E E +HI 70 106A 96 27,-2.8 26,-2.7 -2,-0.3 27,-1.7 -0.970 28.9 154.1-130.5 143.8 -13.2 3.3 31.5 80 78 A G E -HI 69 104A 4 -11,-3.3 -11,-2.5 -2,-0.3 2,-0.5 -0.914 41.7 -99.2-159.8-178.3 -14.1 1.6 34.8 81 79 A E E -HI 68 103A 86 22,-2.3 22,-2.5 -2,-0.3 -13,-0.2 -0.970 39.6-127.5-120.8 122.8 -16.5 0.3 37.4 82 80 A L E +HI 67 102A 1 -15,-3.1 -17,-1.9 -2,-0.5 -15,-0.5 -0.393 41.9 140.7 -74.7 143.1 -17.2 2.4 40.5 83 81 A G E -HI 64 101A 2 18,-1.5 18,-2.9 -19,-0.2 2,-0.3 -0.931 38.9-120.3-160.3 175.3 -16.8 1.1 44.0 84 82 A T E +HI 63 100A 17 -21,-2.4 -21,-2.9 -2,-0.3 2,-0.3 -0.923 31.5 158.7-124.2 158.5 -15.7 2.1 47.5 85 83 A D E - I 0 99A 0 14,-1.6 14,-2.3 -2,-0.3 2,-0.2 -0.965 46.6 -80.3-163.0 165.2 -12.9 0.7 49.7 86 84 A L E - I 0 98A 54 -2,-0.3 -63,-2.2 12,-0.2 2,-0.4 -0.537 49.0-166.7 -70.5 139.1 -10.7 1.5 52.6 87 85 A V E +DI 22 97A 0 10,-2.9 10,-2.7 -2,-0.2 2,-0.3 -0.986 10.3 180.0-135.8 139.5 -7.7 3.6 51.6 88 86 A S E -DI 21 96A 26 -67,-2.3 -67,-2.4 -2,-0.4 8,-0.1 -0.934 22.4-145.7-134.6 158.3 -4.4 4.6 53.3 89 87 A I > - 0 0 15 6,-0.6 3,-1.5 4,-0.5 6,-0.2 -0.928 10.7-160.7-124.0 103.9 -1.3 6.6 52.6 90 88 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.801 94.5 35.2 -56.0 -34.3 1.7 4.9 54.3 91 89 A H T 3 S+ 0 0 99 -72,-0.5 -84,-0.1 -84,-0.1 3,-0.1 -0.416 115.9 66.2-114.9 52.8 3.8 8.2 54.1 92 90 A G S < S- 0 0 6 -3,-1.5 85,-0.1 1,-0.2 -87,-0.0 -0.608 102.8 -25.3-141.0-159.3 0.9 10.5 54.7 93 91 A P - 0 0 14 0, 0.0 2,-2.5 0, 0.0 -4,-0.5 -0.275 66.9-109.0 -57.9 146.9 -1.5 11.2 57.6 94 92 A N S S+ 0 0 167 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.0 -0.427 82.3 110.7 -77.0 65.5 -1.9 8.3 60.1 95 93 A V - 0 0 41 -2,-2.5 -6,-0.6 -6,-0.2 2,-0.4 -0.933 58.0-144.4-140.2 159.9 -5.5 7.6 58.9 96 94 A T E - I 0 88A 84 -2,-0.3 2,-0.3 -8,-0.1 -8,-0.2 -0.994 24.4-173.8-125.8 134.5 -7.7 5.2 57.0 97 95 A V E - I 0 87A 2 -10,-2.7 -10,-2.9 -2,-0.4 2,-0.6 -0.955 26.7-128.6-131.6 144.5 -10.5 6.5 54.8 98 96 A R E + I 0 86A 45 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.881 44.5 172.3 -92.5 121.3 -13.4 5.0 52.8 99 97 A A E - I 0 85A 2 -14,-2.3 -14,-1.6 -2,-0.6 2,-0.3 -0.869 39.1 -98.6-131.1 154.9 -13.2 6.4 49.3 100 98 A N E - I 0 84A 29 36,-0.5 2,-0.4 -2,-0.3 -16,-0.3 -0.605 40.2-169.4 -69.1 128.6 -14.6 6.1 45.9 101 99 A I E - I 0 83A 2 -18,-2.9 -18,-1.5 -2,-0.3 2,-0.7 -0.996 16.7-148.1-123.4 126.2 -12.4 4.1 43.6 102 100 A A E -gI 41 82A 2 -62,-2.5 -60,-2.4 -2,-0.4 2,-0.8 -0.861 17.3-146.2 -88.0 116.2 -12.8 3.7 39.9 103 101 A A E -gI 42 81A 2 -22,-2.5 -22,-2.3 -2,-0.7 2,-0.5 -0.789 19.8-132.0 -85.5 114.0 -11.6 0.3 39.0 104 102 A I E +gI 43 80A 5 -62,-3.4 -60,-2.0 -2,-0.8 -59,-0.5 -0.555 39.9 158.8 -80.3 118.5 -10.1 0.7 35.5 105 103 A T E + 0 0 54 -26,-2.7 2,-0.4 -2,-0.5 -25,-0.2 0.794 65.9 34.4-104.2 -41.2 -11.1 -1.9 32.9 106 104 A E E - I 0 79A 127 -27,-1.7 -27,-2.8 2,-0.0 2,-0.4 -0.971 67.3-175.2-121.8 137.3 -10.4 -0.3 29.6 107 105 A S E - I 0 78A 34 -2,-0.4 2,-0.4 -29,-0.2 -29,-0.2 -0.991 14.6-175.6-138.1 133.7 -7.5 2.1 28.8 108 106 A D E S- I 0 77A 78 -31,-3.0 -31,-2.3 -2,-0.4 -2,-0.0 -0.958 79.0 -32.6-127.2 112.8 -6.4 4.2 25.9 109 107 A K S S+ 0 0 136 -2,-0.4 -31,-0.1 -33,-0.2 -1,-0.1 0.787 106.7 110.5 49.6 35.8 -3.1 6.1 26.1 110 108 A F + 0 0 16 -33,-0.2 -1,-0.1 -34,-0.1 -32,-0.1 0.832 59.7 64.5 -97.0 -57.0 -3.6 6.6 29.9 111 109 A F S S- 0 0 14 7,-0.1 2,-0.5 1,-0.0 7,-0.1 -0.356 73.9-142.7 -72.8 150.2 -0.9 4.4 31.4 112 110 A I > - 0 0 68 5,-0.3 3,-1.6 -98,-0.1 4,-0.4 -0.962 16.5-118.0-122.4 124.0 2.8 5.1 30.8 113 111 A N T 3 S+ 0 0 106 -2,-0.5 -64,-0.1 1,-0.2 -63,-0.1 -0.363 97.9 5.7 -58.5 124.9 5.5 2.5 30.2 114 112 A G T 3 S+ 0 0 13 -65,-0.4 -1,-0.2 -2,-0.1 -100,-0.1 0.265 93.5 116.4 87.3 -9.1 8.2 2.6 32.9 115 113 A S < - 0 0 8 -3,-1.6 -2,-0.1 2,-0.1 3,-0.1 0.766 67.1-143.4 -65.0 -29.9 6.3 5.2 35.0 116 114 A N + 0 0 35 -4,-0.4 2,-0.4 -67,-0.3 -86,-0.2 0.562 60.2 113.6 75.6 12.2 5.9 2.8 38.0 117 115 A W - 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