==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 21-NOV-11 3UQU . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.T.CHEN,W.Y.CHEN,Y.C.XU . 374 3 3 0 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 29.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 1 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 . 44 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 4 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 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 . 2 5 1 3 2 5 1 0 0 0 1 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 2 0 0 0 0 0 0 0 0 1 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 -4 A R 0 0 131 0, 0.0 5,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-123.5 10.9 19.7 33.6 2 -3 A G > - 0 0 40 1,-0.1 3,-1.6 2,-0.0 172,-0.1 -0.243 360.0 -93.3 -76.1 174.2 12.9 23.1 33.0 3 -2 A S T 3 S+ 0 0 116 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.813 125.4 52.4 -67.1 -23.0 10.9 26.2 32.0 4 -1 A F T >> S+ 0 0 51 1,-0.2 3,-2.6 169,-0.2 4,-0.7 0.162 72.1 123.8 -93.7 19.0 11.3 25.6 28.2 5 0 A V G X4 + 0 0 62 -3,-1.6 3,-1.0 1,-0.3 -1,-0.2 0.814 62.9 62.2 -48.7 -34.6 10.1 22.0 28.4 6 1 A E G 34 S+ 0 0 168 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.664 102.2 51.9 -77.0 -7.5 7.3 22.4 25.9 7 2 A M G X4 S+ 0 0 20 -3,-2.6 3,-1.2 160,-0.0 161,-0.7 0.526 84.5 108.0 -96.3 -8.0 9.9 23.2 23.2 8 3 A V T << S+ 0 0 36 -3,-1.0 159,-0.1 -4,-0.7 -3,-0.0 -0.405 88.0 12.2 -68.0 140.6 12.0 20.1 23.8 9 4 A D T 3 S+ 0 0 93 -2,-0.1 -1,-0.3 1,-0.1 158,-0.2 0.823 84.1 133.4 68.8 30.7 11.7 17.6 21.1 10 5 A N < + 0 0 13 -3,-1.2 12,-0.5 84,-0.1 2,-0.4 0.336 51.4 80.1 -90.5 -1.5 9.9 19.9 18.7 11 6 A L E +AB 21 166A 0 155,-2.4 155,-1.0 10,-0.1 2,-0.3 -0.864 53.6 179.9-106.7 146.9 12.1 19.0 15.7 12 7 A R E -AB 20 165A 137 8,-2.0 8,-2.9 -2,-0.4 2,-0.3 -0.931 8.6-168.3-130.9 167.8 11.7 15.9 13.4 13 8 A G - 0 0 10 151,-1.6 2,-0.6 -2,-0.3 3,-0.2 -0.959 17.9-138.1-154.0 135.8 13.7 14.8 10.4 14 9 A K S > S- 0 0 30 104,-0.6 3,-0.6 4,-0.4 106,-0.1 -0.929 85.4 -21.3-109.0 113.7 12.6 11.8 7.9 15 10 A S T 3 S- 0 0 100 -2,-0.6 -1,-0.2 1,-0.2 289,-0.2 0.862 119.8 -66.1 55.3 40.3 15.4 9.5 6.9 16 11 A G T 3 S+ 0 0 22 -3,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.879 98.0 134.0 51.9 45.1 17.9 12.3 7.8 17 12 A Q S < S- 0 0 63 -3,-0.6 103,-0.1 1,-0.4 -1,-0.1 -0.048 78.1 -39.3-115.3 30.6 16.8 14.8 4.9 18 13 A G - 0 0 20 101,-0.0 2,-0.4 2,-0.0 -4,-0.4 -0.057 60.1-105.8 128.9 145.3 16.5 18.0 7.0 19 14 A Y - 0 0 8 204,-0.4 17,-2.6 17,-0.3 2,-0.3 -0.798 43.5-176.8 -97.9 136.6 15.3 18.9 10.5 20 15 A Y E -AC 12 35A 20 -8,-2.9 -8,-2.0 -2,-0.4 2,-0.3 -0.887 19.0-153.6-138.1 159.2 12.0 20.7 10.6 21 16 A V E -AC 11 34A 2 13,-2.4 13,-2.9 -2,-0.3 2,-0.3 -0.923 31.6-105.4-123.2 151.3 9.6 22.4 13.0 22 17 A E E - C 0 33A 70 -12,-0.5 72,-0.4 -2,-0.3 2,-0.4 -0.599 37.3-175.5 -81.9 135.7 5.8 22.9 12.7 23 18 A M E - C 0 32A 0 9,-2.6 9,-2.6 -2,-0.3 2,-0.5 -0.998 15.9-144.8-128.8 141.6 4.7 26.4 12.0 24 19 A T E -DC 91 31A 25 67,-3.3 67,-2.3 -2,-0.4 2,-0.4 -0.895 20.9-173.5-114.6 123.3 1.2 27.6 11.7 25 20 A V E > -DC 90 30A 0 5,-3.5 5,-1.7 -2,-0.5 65,-0.2 -0.913 37.6 -5.2-119.1 143.7 0.4 30.3 9.2 26 21 A G T 5S- 0 0 11 63,-2.4 4,-0.2 -2,-0.4 36,-0.1 0.066 85.5 -46.5 80.5-172.9 -2.6 32.4 8.4 27 22 A S T 5S+ 0 0 45 2,-0.2 36,-2.8 3,-0.0 37,-0.4 -0.979 124.1 31.4-147.3 125.0 -6.2 32.5 9.6 28 23 A P T 5S- 0 0 90 0, 0.0 36,-0.1 0, 0.0 -3,-0.1 0.602 121.7 -92.8 -60.6 170.5 -7.9 30.0 10.0 29 24 A P T 5 - 0 0 102 0, 0.0 2,-0.4 0, 0.0 -3,-0.2 -0.250 40.0-174.2 -73.3 139.3 -4.7 28.1 10.8 30 25 A Q E < -C 25 0A 25 -5,-1.7 -5,-3.5 -4,-0.2 2,-0.4 -0.955 13.7-159.5-124.2 117.2 -2.6 26.2 8.2 31 26 A T E +C 24 0A 43 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.765 14.7 174.8-102.3 135.2 0.2 24.2 9.8 32 27 A L E -C 23 0A 2 -9,-2.6 -9,-2.6 -2,-0.4 2,-0.5 -0.936 35.6-109.2-134.9 155.9 3.2 23.2 7.7 33 28 A N E -C 22 0A 11 -2,-0.3 88,-3.4 -11,-0.2 89,-0.6 -0.825 37.3-162.5 -90.9 125.4 6.5 21.5 8.4 34 29 A I E -Ce 21 122A 0 -13,-2.9 -13,-2.4 -2,-0.5 89,-0.3 -0.944 17.0-128.4-122.1 122.2 9.4 24.0 8.0 35 30 A L E -Ce 20 123A 12 87,-2.9 89,-3.4 -2,-0.5 2,-0.6 -0.483 25.1-129.5 -66.5 136.5 13.1 23.1 7.6 36 31 A V E + e 0 124A 1 -17,-2.6 2,-0.5 87,-0.2 -17,-0.3 -0.765 33.1 178.6 -89.6 121.9 15.2 25.0 10.2 37 32 A D E > + e 0 125A 9 87,-2.6 89,-2.5 -2,-0.6 3,-1.2 -0.867 24.0 177.7-131.4 103.2 18.1 26.7 8.2 38 33 A T T 3 S+ 0 0 0 -2,-0.5 155,-0.5 1,-0.2 183,-0.2 0.557 79.3 71.2 -80.8 6.3 20.6 28.9 9.9 39 34 A G T 3 S+ 0 0 10 153,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.307 101.4 36.7 -99.6 4.6 22.4 29.3 6.5 40 35 A S < - 0 0 11 -3,-1.2 87,-2.9 84,-0.2 92,-0.1 -0.889 63.2-142.3-149.8 176.8 19.8 31.6 4.9 41 36 A S + 0 0 2 90,-0.3 2,-0.4 -2,-0.3 100,-0.2 0.269 62.6 98.8-135.5 12.8 17.4 34.4 5.9 42 37 A N - 0 0 5 98,-0.1 83,-1.2 89,-0.1 2,-0.6 -0.893 56.1-147.7-104.0 140.2 14.1 33.9 3.9 43 38 A F E +F 124 0A 10 -2,-0.4 62,-2.4 81,-0.2 2,-0.3 -0.901 35.3 164.8 -99.5 119.7 11.0 32.3 5.4 44 39 A A E -Fg 123 105A 0 79,-2.3 79,-2.9 -2,-0.6 2,-0.4 -0.997 18.9-166.0-145.1 142.4 9.3 30.6 2.4 45 40 A V E -Fg 122 106A 0 60,-3.3 62,-3.0 -2,-0.3 77,-0.3 -0.990 34.5-100.9-132.2 140.1 6.6 27.9 2.1 46 41 A G E + g 0 107A 0 75,-3.4 11,-3.1 -2,-0.4 62,-0.2 -0.355 40.9 174.5 -50.2 135.1 5.4 25.7 -0.7 47 42 A A + 0 0 11 60,-2.5 12,-0.2 9,-0.3 -1,-0.1 0.116 57.2 45.4-138.4 17.9 2.2 27.5 -1.9 48 43 A A S S- 0 0 27 59,-0.3 -1,-0.1 7,-0.1 9,-0.1 -0.957 98.5 -75.6-157.7 152.0 1.3 25.3 -5.0 49 44 A P + 0 0 101 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.207 49.9 171.3 -52.0 141.3 1.1 21.6 -5.7 50 45 A H > - 0 0 51 3,-0.4 3,-2.3 -4,-0.1 59,-0.0 -0.959 42.4-117.4-144.2 146.8 4.4 19.9 -6.2 51 46 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.754 115.2 47.5 -56.3 -26.7 5.0 16.0 -6.4 52 47 A F T 3 S+ 0 0 89 64,-0.1 2,-0.5 65,-0.0 67,-0.3 0.428 96.8 88.6 -97.2 1.4 7.1 16.0 -3.2 53 48 A L < - 0 0 21 -3,-2.3 -3,-0.4 1,-0.1 3,-0.1 -0.925 47.7-174.3-102.1 137.6 4.7 18.1 -1.1 54 49 A H S S+ 0 0 90 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.706 80.5 8.7 -89.6 -32.1 1.8 16.5 0.9 55 50 A R - 0 0 88 -7,-0.1 2,-0.3 -5,-0.0 -1,-0.2 -0.961 66.4-172.7-146.0 162.3 0.4 20.0 1.8 56 51 A Y - 0 0 74 -2,-0.3 2,-0.4 -9,-0.1 -9,-0.3 -0.965 36.8 -83.9-155.4 162.3 1.0 23.6 0.9 57 52 A Y - 0 0 1 -11,-3.1 2,-0.8 -2,-0.3 -31,-0.0 -0.586 33.2-159.8 -73.6 127.2 0.0 27.1 1.9 58 53 A Q > - 0 0 69 -2,-0.4 3,-1.4 1,-0.2 4,-0.3 -0.847 6.1-172.8-111.0 96.4 -3.3 28.2 0.4 59 54 A R G > S+ 0 0 53 -2,-0.8 3,-1.6 1,-0.3 6,-0.3 0.769 78.2 64.4 -60.5 -33.0 -3.3 32.0 0.6 60 55 A Q G 3 S+ 0 0 144 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.760 100.4 53.1 -69.9 -18.3 -6.8 32.4 -0.6 61 56 A L G < S+ 0 0 95 -3,-1.4 2,-0.7 1,-0.0 -1,-0.3 0.467 91.5 85.3 -88.3 -2.0 -8.1 30.7 2.5 62 57 A S X - 0 0 7 -3,-1.6 3,-1.2 -4,-0.3 -36,-0.1 -0.868 58.6-165.9-104.2 117.2 -6.2 32.9 4.9 63 58 A S T 3 S+ 0 0 101 -36,-2.8 -1,-0.1 -2,-0.7 -4,-0.0 0.757 88.2 54.1 -70.1 -15.4 -8.1 36.2 5.7 64 59 A T T 3 S+ 0 0 31 -37,-0.4 -1,-0.2 -36,-0.1 2,-0.1 0.434 78.0 118.9-102.3 3.2 -5.1 37.8 7.2 65 60 A Y < - 0 0 43 -3,-1.2 2,-0.5 -6,-0.3 23,-0.2 -0.445 45.2-164.8 -70.5 133.6 -2.7 37.3 4.2 66 61 A R E -H 87 0A 149 21,-2.5 21,-2.4 -2,-0.1 2,-0.3 -0.986 14.0-134.9-120.4 127.7 -1.5 40.6 2.8 67 62 A D E -H 86 0A 96 -2,-0.5 19,-0.3 19,-0.2 18,-0.0 -0.586 10.0-164.6 -84.0 129.9 0.1 40.7 -0.7 68 63 A L E - 0 0 81 17,-2.3 18,-0.2 -2,-0.3 -1,-0.1 0.478 33.4-131.8 -92.8 -0.8 3.3 42.7 -1.0 69 64 A R E + 0 0 152 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.901 68.5 109.5 60.7 46.6 3.0 42.7 -4.8 70 65 A K E - 0 0 108 15,-0.5 15,-3.4 2,-0.0 -2,-0.2 -0.969 60.5-134.3-152.1 138.5 6.6 41.7 -5.4 71 66 A G E -H 84 0A 45 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.451 17.9-161.3 -88.3 167.0 8.2 38.5 -6.6 72 67 A V E -H 83 0A 10 11,-2.2 11,-2.4 34,-0.1 2,-0.4 -0.995 8.1-171.1-147.2 144.3 11.2 36.8 -5.0 73 68 A Y E -H 82 0A 137 -2,-0.3 9,-0.2 9,-0.2 34,-0.0 -1.000 5.1-172.4-134.0 134.0 13.7 34.2 -6.3 74 69 A V E -H 81 0A 7 7,-2.5 7,-1.9 -2,-0.4 2,-0.4 -0.950 4.3-165.9-134.3 123.2 16.3 32.5 -4.0 75 70 A P E -H 80 0A 68 0, 0.0 5,-0.3 0, 0.0 2,-0.2 -0.823 10.5-173.0-100.7 137.1 19.1 30.2 -5.3 76 71 A Y - 0 0 51 3,-3.0 3,-0.2 -2,-0.4 -36,-0.0 -0.538 44.5 -95.9-113.5-177.4 21.0 28.0 -2.8 77 72 A T S S+ 0 0 110 1,-0.3 2,-0.6 -2,-0.2 3,-0.0 0.893 124.1 34.1 -64.6 -40.7 24.1 25.9 -3.3 78 73 A Q S S- 0 0 140 1,-0.0 -1,-0.3 35,-0.0 34,-0.0 -0.983 128.0 -21.5-111.2 112.3 21.6 23.0 -3.8 79 74 A G - 0 0 18 -2,-0.6 -3,-3.0 -3,-0.2 2,-0.3 0.016 57.9-135.5 91.3 171.4 18.4 24.0 -5.6 80 75 A A E -HI 75 111A 11 31,-1.7 31,-2.9 -5,-0.3 2,-0.3 -0.968 11.7-163.2-162.9 158.5 16.4 27.3 -6.1 81 76 A W E -HI 74 110A 2 -7,-1.9 -7,-2.5 -2,-0.3 2,-0.4 -0.985 6.6-152.3-147.5 162.3 12.8 28.5 -5.9 82 77 A A E +HI 73 109A 32 27,-2.8 26,-2.0 -2,-0.3 27,-1.7 -0.960 30.4 131.5-132.7 150.7 10.7 31.4 -7.1 83 78 A G E -HI 72 107A 8 -11,-2.4 -11,-2.2 -2,-0.4 2,-0.4 -0.880 47.3 -74.7-174.1-163.4 7.6 32.8 -5.5 84 79 A E E -HI 71 106A 84 22,-2.1 22,-3.2 -2,-0.3 2,-0.3 -0.988 35.6-127.1-126.2 140.8 5.6 35.8 -4.3 85 80 A L E + I 0 105A 5 -15,-3.4 -17,-2.3 -2,-0.4 -16,-0.5 -0.590 41.9 133.5 -92.0 149.5 6.0 38.0 -1.2 86 81 A G E -HI 67 104A 0 18,-2.0 18,-2.8 -2,-0.3 2,-0.3 -0.914 43.1-112.5-164.0-171.7 3.3 38.8 1.3 87 82 A T E +HI 66 103A 18 -21,-2.4 -21,-2.5 -2,-0.3 2,-0.3 -0.944 33.5 160.5-132.9 153.1 2.8 38.9 5.1 88 83 A D E - I 0 102A 0 14,-1.8 14,-2.5 -2,-0.3 2,-0.3 -0.975 46.1 -79.3-158.7 167.7 0.7 36.8 7.3 89 84 A L E - I 0 101A 56 -2,-0.3 -63,-2.4 12,-0.2 2,-0.4 -0.584 48.0-174.5 -75.7 139.2 0.3 35.7 11.0 90 85 A V E +DI 25 100A 1 10,-2.8 10,-2.7 -2,-0.3 2,-0.3 -0.999 10.1 172.0-137.8 134.3 2.7 33.0 12.0 91 86 A S E -D 24 0A 33 -67,-2.3 -67,-3.3 -2,-0.4 8,-0.1 -0.907 28.1-138.0-136.8 161.9 3.0 31.1 15.3 92 87 A I > - 0 0 4 4,-0.6 3,-2.3 6,-0.5 6,-0.2 -0.959 15.0-158.3-120.1 105.6 5.2 28.0 16.3 93 88 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.863 95.2 35.7 -66.9 -25.6 2.9 25.8 18.3 94 89 A H T 3 S+ 0 0 94 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 0.009 119.0 63.4-112.3 37.3 5.8 24.0 20.0 95 90 A G S < S- 0 0 12 -3,-2.3 74,-0.0 1,-0.3 -89,-0.0 -0.203 104.5 -20.0-127.6-148.6 7.8 27.2 20.1 96 91 A P - 0 0 11 0, 0.0 2,-1.7 0, 0.0 -4,-0.6 -0.234 63.3-115.7 -66.7 152.1 7.3 30.6 21.9 97 92 A N S S+ 0 0 171 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.0 -0.480 83.0 92.8 -90.2 70.4 3.7 31.5 23.0 98 93 A V - 0 0 26 -2,-1.7 -6,-0.5 -6,-0.2 2,-0.4 -0.917 61.3-142.4-149.2 164.4 3.4 34.5 20.6 99 94 A T - 0 0 80 -2,-0.3 2,-0.3 -8,-0.1 -8,-0.2 -0.990 21.1-172.2-133.2 136.1 2.1 35.2 17.1 100 95 A V E - I 0 90A 3 -10,-2.7 -10,-2.8 -2,-0.4 2,-0.7 -0.904 30.0-121.9-126.5 159.2 3.8 37.6 14.8 101 96 A R E + I 0 89A 47 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.889 48.4 174.7 -95.1 117.3 3.0 39.1 11.4 102 97 A A E - I 0 88A 1 -14,-2.5 -14,-1.8 -2,-0.7 2,-0.2 -0.852 37.1-100.3-120.7 157.2 6.0 38.0 9.3 103 98 A N E - I 0 87A 30 36,-0.5 2,-0.4 -2,-0.3 -16,-0.2 -0.502 42.3-171.3 -70.3 145.9 7.1 38.2 5.7 104 99 A I E - I 0 86A 1 -18,-2.8 -18,-2.0 -2,-0.2 2,-0.6 -0.986 18.0-147.1-140.1 128.4 6.4 35.0 3.9 105 100 A A E -gI 44 85A 1 -62,-2.4 -60,-3.3 -2,-0.4 2,-0.8 -0.847 15.8-144.9 -93.8 128.8 7.5 34.0 0.4 106 101 A A E -gI 45 84A 0 -22,-3.2 -22,-2.1 -2,-0.6 2,-0.6 -0.847 15.8-139.6 -96.1 111.5 4.9 31.7 -1.2 107 102 A I E +gI 46 83A 3 -62,-3.0 -60,-2.5 -2,-0.8 -59,-0.3 -0.641 32.7 164.2 -74.4 121.5 6.9 29.3 -3.3 108 103 A T E + 0 0 38 -26,-2.0 2,-0.3 -2,-0.6 -25,-0.2 0.744 67.1 16.3-114.8 -16.0 5.1 28.7 -6.6 109 104 A E E + I 0 82A 140 -27,-1.7 -27,-2.8 2,-0.0 2,-0.3 -0.979 67.5 171.0-149.9 149.2 7.9 27.0 -8.7 110 105 A S E - I 0 81A 34 -2,-0.3 2,-0.4 -29,-0.2 -29,-0.3 -0.997 23.5-141.4-155.4 164.6 11.1 25.4 -7.7 111 106 A D E S- I 0 80A 100 -31,-2.9 -31,-1.7 -2,-0.3 -2,-0.0 -0.969 81.5 -26.4-135.4 116.5 14.1 23.3 -9.0 112 107 A K S S+ 0 0 164 -2,-0.4 -1,-0.1 -33,-0.2 -31,-0.1 0.832 105.9 109.1 54.8 35.2 15.8 20.6 -6.9 113 108 A F + 0 0 14 -33,-0.2 -1,-0.1 -34,-0.2 -32,-0.1 0.809 58.2 64.3-105.8 -58.0 14.7 22.3 -3.7 114 109 A F S S- 0 0 11 1,-0.1 2,-0.5 7,-0.1 -61,-0.1 -0.295 77.4-141.2 -63.3 146.4 12.0 20.1 -2.2 115 110 A I > - 0 0 47 5,-0.3 3,-2.3 -63,-0.2 4,-0.3 -0.966 18.9-116.6-119.9 121.1 13.3 16.6 -1.2 116 111 A N T 3 S+ 0 0 105 -2,-0.5 -64,-0.1 1,-0.3 -63,-0.1 -0.350 98.6 8.7 -62.0 130.7 11.1 13.6 -1.9 117 112 A G T 3 S+ 0 0 49 -65,-0.3 -1,-0.3 3,-0.1 -100,-0.1 0.480 92.1 114.7 81.2 6.4 10.2 11.9 1.4 118 113 A S < - 0 0 1 -3,-2.3 -104,-0.6 2,-0.2 -101,-0.2 0.640 69.1-141.0 -85.4 -17.8 11.6 14.6 3.6 119 114 A N + 0 0 76 -4,-0.3 2,-0.3 -67,-0.3 -86,-0.2 0.398 61.4 118.6 74.2 0.5 8.2 15.6 5.0 120 115 A W - 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