==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 21-NOV-11 3UQR . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.T.CHEN,W.Y.CHEN,L.LI,Y.C.XU . 1143 12 9 0 9 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44173.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 760 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 322 28.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 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 . 129 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.1 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 8 0 0 1 2 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 7 5 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 . 8 17 10 2 8 14 4 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 6 1 0 0 0 1 0 0 0 1 1 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 -2 A S > 0 0 132 0, 0.0 3,-0.8 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -81.0 8.2 33.1 57.5 2 -1 A F G >> + 0 0 61 1,-0.2 3,-1.8 2,-0.1 4,-0.8 0.472 360.0 92.8 -82.0 -3.0 8.7 31.7 53.9 3 0 A V G 34 S+ 0 0 104 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.806 74.5 65.8 -58.7 -29.9 12.4 31.7 54.6 4 1 A E G <4 S+ 0 0 60 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.734 107.0 41.7 -61.5 -22.9 11.9 28.0 55.6 5 2 A M T X4 S+ 0 0 11 -3,-1.8 3,-1.6 -4,-0.1 163,-0.5 0.519 85.8 111.0-105.5 -12.0 10.9 27.3 52.0 6 3 A V T 3< S+ 0 0 50 -4,-0.8 161,-0.1 -3,-0.4 -3,-0.0 -0.478 89.4 13.6 -64.4 134.6 13.6 29.4 50.3 7 4 A D T 3 S+ 0 0 116 -2,-0.2 -1,-0.3 1,-0.1 160,-0.2 0.661 85.1 133.5 73.7 19.6 16.0 27.1 48.5 8 5 A N < + 0 0 14 -3,-1.6 12,-0.6 84,-0.1 2,-0.4 0.562 51.1 77.7 -82.0 -4.8 13.8 24.0 48.9 9 6 A L E +AB 19 166A 2 157,-2.0 157,-1.2 10,-0.1 2,-0.3 -0.876 55.5 175.6-103.7 134.3 14.2 22.9 45.3 10 7 A R E -AB 18 165A 41 8,-2.1 8,-3.1 -2,-0.4 2,-0.3 -0.780 3.7-176.5-123.9 174.3 17.3 21.0 44.1 11 8 A G - 0 0 10 153,-1.1 6,-0.2 -2,-0.3 106,-0.1 -0.902 38.0-125.0-173.3 139.3 18.1 19.5 40.7 12 9 A K - 0 0 45 104,-0.6 5,-0.1 4,-0.5 105,-0.1 0.072 69.7 -96.9 -78.6 26.7 20.8 17.5 38.9 13 10 A S S S+ 0 0 51 3,-0.1 -1,-0.1 1,-0.1 146,-0.1 0.966 105.3 13.7 57.1 97.4 20.9 20.3 36.2 14 11 A G S S+ 0 0 28 289,-0.1 -1,-0.1 102,-0.0 212,-0.1 0.516 109.6 86.1 90.5 6.4 18.8 19.6 33.1 15 12 A Q S S- 0 0 56 1,-0.2 103,-0.1 101,-0.1 98,-0.1 0.229 101.6 -90.3-120.6 5.2 17.0 16.7 34.9 16 13 A G - 0 0 21 -5,-0.1 -4,-0.5 17,-0.1 2,-0.4 0.189 37.3 -84.1 102.1 148.6 14.3 18.8 36.5 17 14 A Y - 0 0 12 206,-0.4 17,-2.5 17,-0.3 2,-0.4 -0.717 45.8-170.0 -93.1 132.3 13.7 20.6 39.8 18 15 A Y E -AC 10 33A 26 -8,-3.1 -8,-2.1 -2,-0.4 2,-0.5 -0.964 18.1-152.6-130.1 142.7 12.5 18.6 42.8 19 16 A V E -AC 9 32A 2 13,-2.1 13,-1.9 -2,-0.4 -10,-0.1 -0.914 30.8-117.1-105.8 130.4 11.1 19.3 46.3 20 17 A E E + C 0 31A 66 -12,-0.6 72,-0.3 -2,-0.5 2,-0.3 -0.417 40.2 171.6 -64.4 133.6 11.6 16.7 49.0 21 18 A M E - C 0 30A 0 9,-3.3 9,-3.3 69,-0.2 2,-0.4 -0.929 24.3-134.9-134.3 163.3 8.4 15.2 50.4 22 19 A T E -DC 89 29A 20 67,-1.8 67,-1.7 -2,-0.3 2,-0.4 -0.947 16.2-158.8-118.6 147.1 7.5 12.4 52.7 23 20 A V E > -DC 88 28A 0 5,-2.0 5,-2.9 -2,-0.4 65,-0.2 -0.957 43.2 -12.2-122.7 140.6 4.8 9.8 52.2 24 21 A G T 5S- 0 0 7 63,-2.2 36,-0.1 -2,-0.4 62,-0.1 0.181 87.7 -34.8 76.5 179.1 3.0 7.5 54.7 25 22 A S T 5S+ 0 0 30 2,-0.1 36,-2.7 1,-0.1 37,-0.4 -0.986 132.7 28.1-128.5 117.6 3.3 6.4 58.2 26 23 A P T 5S- 0 0 99 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 0.688 116.8-110.1 -66.9 163.9 6.1 6.1 59.2 27 24 A P T 5 - 0 0 83 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.538 28.2-160.5 -82.0 113.4 7.2 8.8 56.7 28 25 A Q E < -C 23 0A 31 -5,-2.9 -5,-2.0 -2,-0.6 2,-0.2 -0.813 21.7-130.7 -91.2 118.4 9.3 7.5 53.8 29 26 A T E +C 22 0A 54 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.3 -0.454 32.0 172.6 -73.5 134.3 11.2 10.4 52.3 30 27 A L E -C 21 0A 1 -9,-3.3 -9,-3.3 -2,-0.2 2,-0.6 -0.997 33.4-125.0-140.4 141.2 11.1 10.8 48.5 31 28 A N E -C 20 0A 16 -2,-0.3 88,-2.5 -11,-0.2 89,-0.5 -0.796 32.5-160.9 -82.7 120.2 12.3 13.5 46.1 32 29 A I E -C 19 0A 0 -13,-1.9 -13,-2.1 -2,-0.6 89,-0.2 -0.883 14.0-126.1-107.5 134.9 9.3 14.7 44.1 33 30 A L E -Ce 18 121A 4 87,-2.9 89,-3.3 -2,-0.4 2,-0.6 -0.536 22.3-127.1 -75.1 140.9 9.6 16.6 40.7 34 31 A V E + e 0 122A 2 -17,-2.5 2,-0.4 -2,-0.2 -17,-0.3 -0.814 35.9 171.4 -93.9 119.2 7.7 19.8 40.5 35 32 A D E + e 0 123A 0 87,-2.2 89,-2.6 -2,-0.6 90,-0.5 -0.884 26.5 176.4-138.2 104.5 5.5 19.9 37.4 36 33 A T S S+ 0 0 0 -2,-0.4 157,-0.5 87,-0.2 90,-0.1 0.439 83.0 69.0 -83.8 3.6 2.9 22.5 36.6 37 34 A G S S+ 0 0 0 155,-0.1 1102,-0.7 88,-0.1 -1,-0.2 0.818 99.0 47.1 -87.3 -34.1 2.3 20.6 33.3 38 35 A S - 0 0 0 -3,-0.4 87,-2.4 1100,-0.2 86,-0.2 -0.492 63.4-153.4-102.2 171.1 0.6 17.6 34.8 39 36 A S + 0 0 2 90,-0.3 2,-0.4 85,-0.2 91,-0.1 0.038 62.1 99.3-132.2 24.0 -2.1 17.3 37.5 40 37 A N - 0 0 3 98,-0.1 83,-1.6 90,-0.1 2,-0.5 -0.932 61.3-142.3-120.2 133.9 -1.3 14.0 39.0 41 38 A F E +F 122 0A 7 -2,-0.4 62,-1.9 81,-0.2 2,-0.3 -0.837 38.3 159.1 -90.0 130.7 0.6 13.1 42.2 42 39 A A E -Fg 121 103A 0 79,-1.9 79,-3.3 -2,-0.5 2,-0.4 -0.952 20.8-171.3-158.5 130.1 2.6 9.9 41.5 43 40 A V E -Fg 120 104A 0 60,-2.3 62,-2.7 -2,-0.3 77,-0.3 -0.965 39.9 -96.9-126.7 142.6 5.6 8.3 43.0 44 41 A G E + g 0 105A 0 75,-2.7 11,-2.8 -2,-0.4 62,-0.2 -0.360 42.5 178.0 -50.3 125.8 7.7 5.3 41.9 45 42 A A + 0 0 2 60,-2.2 12,-0.3 9,-0.2 -1,-0.2 0.286 58.8 38.2-123.3 8.3 6.2 2.4 43.8 46 43 A A S S- 0 0 31 59,-0.6 -1,-0.2 7,-0.1 9,-0.1 -0.966 98.7 -73.0-160.3 148.1 8.3 -0.5 42.6 47 44 A P + 0 0 93 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 0.144 46.8 171.5 -50.9 156.0 12.0 -0.9 41.7 48 45 A H - 0 0 53 3,-0.5 3,-0.4 -4,-0.1 5,-0.0 -0.947 42.1-115.1-162.2 148.1 13.5 0.5 38.5 49 46 A P S S+ 0 0 120 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.804 111.4 48.9 -60.8 -30.5 17.1 0.8 37.4 50 47 A F S S+ 0 0 75 1,-0.1 2,-0.5 64,-0.1 65,-0.5 0.729 97.6 72.8 -87.5 -25.2 17.2 4.6 37.5 51 48 A L - 0 0 12 -3,-0.4 -3,-0.5 1,-0.1 68,-0.1 -0.837 60.3-156.4-105.7 126.2 15.7 5.3 40.9 52 49 A H S S+ 0 0 121 -2,-0.5 2,-0.3 66,-0.1 -1,-0.1 0.470 78.6 5.6 -77.7 -3.2 17.7 4.6 44.1 53 50 A R - 0 0 83 -7,-0.1 2,-0.3 -5,-0.0 -7,-0.1 -0.976 64.0-177.4-164.0 175.5 14.5 4.3 46.2 54 51 A Y - 0 0 62 -2,-0.3 2,-0.6 -9,-0.1 -9,-0.2 -0.963 38.1 -63.5-166.9-175.4 10.7 4.2 46.1 55 52 A Y - 0 0 1 -11,-2.8 2,-1.1 -2,-0.3 3,-0.2 -0.719 32.7-163.7 -93.0 114.8 7.4 4.0 47.8 56 53 A Q > - 0 0 65 -2,-0.6 3,-1.4 1,-0.2 4,-0.1 -0.771 7.4-178.4 -97.6 89.5 6.7 0.8 49.7 57 54 A R G > S+ 0 0 47 -2,-1.1 3,-2.5 -12,-0.3 6,-0.2 0.867 78.8 70.1 -56.9 -36.0 2.9 0.9 50.2 58 55 A Q G 3 S+ 0 0 133 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.0 0.872 100.1 46.9 -46.9 -42.0 3.3 -2.4 52.2 59 56 A L G < S+ 0 0 103 -3,-1.4 2,-0.7 1,-0.0 -1,-0.3 0.230 90.8 95.5 -90.8 12.9 5.1 -0.5 55.0 60 57 A S X - 0 0 9 -3,-2.5 3,-1.0 1,-0.2 -36,-0.1 -0.890 49.2-171.1-112.5 114.3 2.6 2.4 55.3 61 58 A S T 3 S+ 0 0 106 -36,-2.7 -1,-0.2 -2,-0.7 -37,-0.0 0.812 89.0 52.6 -66.0 -30.4 -0.0 2.1 57.9 62 59 A T T 3 S+ 0 0 11 -37,-0.4 2,-0.4 25,-0.1 -1,-0.2 0.518 86.0 113.9 -85.5 -1.9 -1.9 5.2 56.7 63 60 A Y < - 0 0 43 -3,-1.0 2,-0.2 -6,-0.2 23,-0.2 -0.550 42.6-176.0 -77.6 121.0 -2.0 3.9 53.1 64 61 A R E -H 85 0A 44 21,-1.0 21,-1.2 -2,-0.4 2,-0.4 -0.660 19.8-132.1-102.1 168.5 -5.4 3.0 51.5 65 62 A D E -H 84 0A 42 869,-0.4 19,-0.2 -2,-0.2 21,-0.0 -0.991 6.8-159.5-126.1 129.0 -5.9 1.4 48.1 66 63 A L E - 0 0 9 17,-2.4 18,-0.2 -2,-0.4 869,-0.1 0.644 28.8-133.0 -84.8 -18.3 -8.5 2.8 45.7 67 64 A R E + 0 0 85 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.830 69.7 103.2 71.8 33.6 -8.9 -0.3 43.5 68 65 A K E - 0 0 74 15,-0.4 15,-1.9 489,-0.1 -1,-0.2 -0.988 61.9-134.3-146.7 138.4 -8.6 1.6 40.1 69 66 A G E -H 82 0A 18 485,-0.3 2,-0.3 -2,-0.3 13,-0.2 -0.445 17.0-153.7 -90.1 165.8 -5.6 1.8 37.7 70 67 A V E -H 81 0A 4 11,-2.2 11,-2.5 -2,-0.1 2,-0.4 -0.999 8.9-162.6-145.2 140.6 -4.3 4.9 36.0 71 68 A Y E -H 80 0A 37 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.988 9.7-175.7-124.9 124.8 -2.4 5.7 32.8 72 69 A V E -H 79 0A 0 7,-2.5 7,-2.4 -2,-0.4 2,-0.6 -0.970 6.2-163.5-122.1 122.9 -0.6 9.0 32.3 73 70 A P E -H 78 0A 7 0, 0.0 1067,-2.5 0, 0.0 2,-0.3 -0.903 5.3-164.5-104.7 124.8 1.2 10.0 29.0 74 71 A Y B -N 1139 0B 10 3,-2.3 1065,-0.2 -2,-0.6 3,-0.2 -0.766 37.8-111.8 -97.9 148.6 3.6 12.8 29.0 75 72 A T S S+ 0 0 65 1063,-1.9 2,-0.4 -2,-0.3 -1,-0.1 0.817 120.6 34.0 -38.2 -35.7 4.9 14.5 25.8 76 73 A Q S S- 0 0 108 1062,-0.3 -1,-0.2 1,-0.1 34,-0.0 -0.958 129.7 -15.1-128.3 112.3 8.1 12.8 26.9 77 74 A G - 0 0 9 -2,-0.4 -3,-2.3 -3,-0.2 2,-0.3 -0.013 62.2-139.4 86.6 167.9 7.6 9.4 28.6 78 75 A K E -HI 73 109A 29 31,-1.4 31,-2.5 -5,-0.2 2,-0.3 -0.981 12.0-169.9-159.5 157.5 4.7 7.7 30.1 79 76 A W E -HI 72 108A 0 -7,-2.4 -7,-2.5 -2,-0.3 2,-0.3 -0.963 9.4-154.0-145.5 165.6 3.7 5.5 33.1 80 77 A E E +HI 71 107A 15 27,-2.4 27,-1.7 -2,-0.3 26,-1.3 -0.987 28.1 148.7-137.2 148.2 0.9 3.4 34.5 81 78 A G E -HI 70 105A 4 -11,-2.5 -11,-2.2 -2,-0.3 2,-0.4 -0.899 43.2 -80.1-162.3-174.0 0.2 2.7 38.2 82 79 A E E -HI 69 104A 43 22,-2.1 22,-4.1 -2,-0.3 2,-0.6 -0.854 39.9-125.1-109.8 139.6 -2.2 1.9 41.0 83 80 A L E + I 0 103A 5 -15,-1.9 -17,-2.4 -2,-0.4 -16,-0.5 -0.747 41.0 152.3 -91.8 119.9 -4.2 4.7 42.7 84 81 A G E -HI 65 102A 2 18,-3.8 18,-2.8 -2,-0.6 2,-0.3 -0.637 32.9-134.5-121.5-175.5 -4.0 5.0 46.5 85 82 A T E +HI 64 101A 2 -21,-1.2 -21,-1.0 16,-0.3 2,-0.3 -0.827 32.9 147.6-127.9 177.7 -4.3 7.6 49.2 86 83 A D E - I 0 100A 0 14,-0.6 14,-1.7 -2,-0.3 2,-0.5 -0.914 51.4 -64.6 167.5 167.8 -1.9 8.2 52.1 87 84 A L E - I 0 99A 57 -2,-0.3 -63,-2.2 12,-0.2 2,-0.3 -0.670 48.5-168.5 -85.8 124.1 -0.5 11.0 54.3 88 85 A V E +DI 23 98A 2 10,-3.9 10,-2.4 -2,-0.5 2,-0.3 -0.846 10.5 167.2-113.5 148.7 1.7 13.5 52.6 89 86 A S E -DI 22 97A 27 -67,-1.7 -67,-1.8 -2,-0.3 8,-0.2 -0.953 25.6-137.2-151.0 162.9 3.9 16.2 54.1 90 87 A I > - 0 0 9 6,-0.6 3,-1.4 4,-0.6 6,-0.2 -0.926 3.5-159.1-134.0 111.8 6.7 18.5 53.1 91 88 A P T 3 S+ 0 0 57 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 0.948 96.5 33.8 -45.2 -68.6 9.8 19.1 55.2 92 89 A H T 3 S+ 0 0 100 -72,-0.3 -84,-0.1 -84,-0.1 3,-0.1 -0.267 117.8 64.4 -91.2 47.6 10.8 22.5 53.7 93 90 A G S < S- 0 0 11 -3,-1.4 76,-0.1 -2,-0.8 -72,-0.0 -0.628 106.3 -33.0-136.2-159.8 7.2 23.6 53.2 94 91 A P - 0 0 26 0, 0.0 2,-2.3 0, 0.0 -4,-0.6 -0.339 60.6-115.9 -56.7 139.6 4.3 24.2 55.6 95 92 A N S S+ 0 0 165 -6,-0.1 2,-0.3 -3,-0.1 -3,-0.0 -0.510 79.2 113.2 -78.6 72.8 4.3 22.1 58.7 96 93 A V - 0 0 43 -2,-2.3 -6,-0.6 -6,-0.2 2,-0.3 -0.832 52.0-151.6-132.3 175.2 1.0 20.5 57.6 97 94 A T E - I 0 89A 80 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.2 -0.963 15.3-176.2-153.3 121.1 0.1 17.0 56.6 98 95 A V E - I 0 88A 10 -10,-2.4 -10,-3.9 -2,-0.3 2,-0.6 -0.887 31.4-123.3-124.6 161.3 -2.7 15.8 54.3 99 96 A R E + I 0 87A 15 -2,-0.3 2,-0.3 -12,-0.3 -12,-0.2 -0.886 47.8 164.8 -90.1 124.9 -4.4 12.8 52.9 100 97 A A E - I 0 86A 0 -14,-1.7 -14,-0.6 -2,-0.6 39,-0.1 -0.978 43.5 -89.9-145.3 149.3 -4.1 13.2 49.1 101 98 A N E - I 0 85A 7 36,-0.6 2,-0.4 -2,-0.3 -16,-0.3 -0.366 44.5-168.4 -62.6 136.9 -4.5 10.9 46.2 102 99 A I E - I 0 84A 3 -18,-2.8 -18,-3.8 -62,-0.1 2,-0.6 -0.997 16.1-146.2-130.1 135.8 -1.3 9.1 45.2 103 100 A A E -gI 42 83A 0 -62,-1.9 -60,-2.3 -2,-0.4 2,-0.9 -0.861 14.5-144.6 -97.1 122.2 -0.5 7.1 42.0 104 101 A A E -gI 43 82A 2 -22,-4.1 -22,-2.1 -2,-0.6 2,-0.8 -0.786 17.0-140.0 -87.7 108.4 1.8 4.2 42.7 105 102 A I E +gI 44 81A 4 -62,-2.7 -60,-2.2 -2,-0.9 -59,-0.6 -0.577 36.8 159.0 -77.6 107.2 4.0 4.0 39.5 106 103 A T E + 0 0 48 -26,-1.3 2,-0.3 -2,-0.8 -25,-0.2 0.550 64.7 30.3-108.5 -9.1 4.5 0.3 38.8 107 104 A E E + I 0 80A 64 -27,-1.7 -27,-2.4 274,-0.0 2,-0.3 -0.976 66.8 167.3-149.8 134.5 5.3 0.5 35.1 108 105 A S E - I 0 79A 25 -2,-0.3 2,-0.4 -29,-0.2 -29,-0.2 -0.996 20.7-160.4-151.5 157.0 7.1 3.2 33.0 109 106 A D E S- I 0 78A 47 -31,-2.5 -31,-1.4 -2,-0.3 -2,-0.0 -0.935 80.9 -20.4-141.4 111.4 8.8 4.0 29.7 110 107 A K S S+ 0 0 146 -2,-0.4 -31,-0.1 -33,-0.2 3,-0.0 0.824 107.0 105.9 60.6 34.7 11.2 6.9 29.2 111 108 A F + 0 0 1 -33,-0.2 -32,-0.1 -34,-0.2 -1,-0.1 0.798 59.2 60.6-103.9 -77.2 9.9 8.7 32.3 112 109 A F S S- 0 0 12 1,-0.1 2,-0.4 7,-0.1 7,-0.1 -0.137 79.4-137.1 -50.9 150.0 12.4 8.4 35.1 113 110 A I > - 0 0 42 5,-0.2 3,-1.2 -98,-0.1 2,-0.8 -0.933 14.8-112.5-124.5 139.3 15.8 10.0 34.2 114 111 A N T 3 S+ 0 0 108 -2,-0.4 -63,-0.1 1,-0.3 -64,-0.1 -0.570 102.5 3.8 -81.8 109.1 19.2 8.5 35.0 115 112 A G T 3 S+ 0 0 39 -2,-0.8 -1,-0.3 -65,-0.5 -100,-0.1 0.213 93.5 121.5 103.6 -11.2 21.0 10.6 37.5 116 113 A S < - 0 0 3 -3,-1.2 -104,-0.6 1,-0.1 -2,-0.1 0.694 63.0-146.1 -57.7 -25.2 18.0 12.9 38.0 117 114 A N + 0 0 62 -4,-0.4 2,-0.3 -67,-0.3 -86,-0.1 0.527 61.3 112.1 64.2 5.1 17.8 12.2 41.7 118 115 A W - 0 0 4 -5,-0.2 -1,-0.2 -103,-0.1 -5,-0.2 -0.723 42.9-176.2-101.8 164.6 14.0 12.4 41.6 119 116 A E + 0 0 0 -88,-2.5 -75,-2.7 -2,-0.3 2,-0.3 0.204 63.1 17.6-141.3 11.6 11.6 9.5 42.1 120 117 A G E - 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