==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-FEB-02 1L0C . COMPND 2 MOLECULE: SEROTONIN N-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: OVIS ARIES; . AUTHOR K.A.SCHEIBNER,J.DE ANGELIS,S.K.BURLEY,P.A.COLE . 166 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8622.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 22.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 6 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 1 1 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 1 0 2 0 1 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 0 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 30 A H 0 0 236 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -7.0 44.2 5.7 41.1 2 31 A T - 0 0 106 0, 0.0 57,-0.1 0, 0.0 56,-0.0 -0.986 360.0 -91.5-164.5 167.6 42.7 8.9 39.8 3 32 A L - 0 0 85 -2,-0.3 55,-0.1 55,-0.1 57,-0.0 -0.770 47.0-116.3 -89.9 123.5 39.5 10.8 38.9 4 33 A P - 0 0 57 0, 0.0 54,-1.5 0, 0.0 55,-0.7 -0.316 14.5-133.9 -59.8 137.7 38.5 10.4 35.2 5 34 A A S S+ 0 0 57 1,-0.3 53,-0.6 52,-0.2 2,-0.4 0.944 91.4 7.6 -56.1 -50.0 38.6 13.7 33.3 6 35 A N E S+A 57 0A 85 51,-0.2 2,-0.3 52,-0.1 -1,-0.3 -0.999 72.5 173.5-137.1 133.7 35.1 12.9 31.8 7 36 A E E -A 56 0A 75 49,-1.5 49,-2.6 -2,-0.4 2,-0.5 -0.962 14.8-162.7-147.7 126.8 32.8 10.0 32.7 8 37 A F E +A 55 0A 53 -2,-0.3 2,-0.3 47,-0.2 47,-0.2 -0.920 31.8 139.7-107.3 124.7 29.2 9.2 31.6 9 38 A R E -A 54 0A 77 45,-1.8 45,-2.5 -2,-0.5 -2,-0.1 -0.991 53.7 -91.8-159.7 158.9 27.3 6.7 33.7 10 39 A C - 0 0 41 -2,-0.3 43,-0.2 43,-0.2 40,-0.1 -0.380 51.7-113.3 -68.9 153.6 23.9 6.0 35.2 11 40 A L - 0 0 1 38,-0.5 41,-0.1 -2,-0.0 -1,-0.1 -0.382 22.7-153.8 -87.5 167.2 23.4 7.3 38.7 12 41 A T > - 0 0 50 -2,-0.1 3,-2.6 1,-0.0 4,-0.4 -0.875 40.1 -95.3-132.4 164.2 22.9 5.5 42.0 13 42 A P G > S+ 0 0 56 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.772 121.1 70.3 -51.4 -26.1 21.2 6.6 45.2 14 43 A E G 3 S+ 0 0 180 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.758 93.4 54.9 -63.7 -25.6 24.7 7.8 46.4 15 44 A D G <> S+ 0 0 21 -3,-2.6 4,-2.5 1,-0.2 3,-0.4 0.555 79.6 98.5 -84.8 -9.8 24.6 10.6 43.8 16 45 A A H <> S+ 0 0 2 -3,-1.3 4,-2.6 -4,-0.4 5,-0.2 0.863 80.1 50.7 -44.4 -51.8 21.2 11.9 45.2 17 46 A A H > S+ 0 0 62 -3,-0.4 4,-1.9 -4,-0.3 -1,-0.2 0.895 111.8 46.7 -57.7 -44.5 22.9 14.7 47.3 18 47 A G H > S+ 0 0 34 -3,-0.4 4,-1.9 -4,-0.3 -1,-0.2 0.922 111.5 52.1 -64.5 -44.0 24.9 16.0 44.5 19 48 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.917 110.4 48.1 -56.7 -46.1 21.9 15.9 42.2 20 49 A F H X S+ 0 0 51 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.851 106.0 58.0 -66.7 -34.2 19.9 17.9 44.7 21 50 A E H X S+ 0 0 99 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.899 106.6 48.5 -63.5 -38.7 22.7 20.5 45.1 22 51 A I H >X S+ 0 0 10 -4,-1.9 4,-3.3 1,-0.2 3,-0.5 0.914 110.3 52.1 -66.8 -40.1 22.6 21.2 41.5 23 52 A E H 3X>S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 5,-2.0 0.848 98.3 64.9 -62.8 -36.3 18.8 21.6 41.6 24 53 A R H 3<>S+ 0 0 132 -4,-2.1 5,-2.0 3,-0.2 -1,-0.2 0.882 117.3 27.6 -55.3 -38.2 19.0 24.1 44.5 25 54 A E H <<5S+ 0 0 54 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.891 123.0 49.7 -89.4 -46.8 20.8 26.5 42.2 26 55 A A H <5S+ 0 0 23 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.815 134.6 2.0 -64.0 -33.9 19.3 25.4 38.8 27 56 A F T >X>S+ 0 0 50 -4,-2.9 4,-2.8 -5,-0.2 3,-1.1 0.739 126.5 51.6-120.8 -53.4 15.7 25.4 39.9 28 57 A I H 3> - 0 0 63 -2,-0.4 4,-2.5 -3,-0.1 3,-0.3 -0.369 50.0 -87.3 -82.7 172.4 13.6 16.7 46.4 38 67 A L H > S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.869 129.4 48.3 -49.9 -43.5 16.2 14.4 47.9 39 68 A D H > S+ 0 0 115 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.892 111.6 49.3 -66.8 -38.5 13.7 11.6 48.6 40 69 A E H > S+ 0 0 64 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.870 111.0 50.9 -68.8 -34.2 12.2 11.8 45.1 41 70 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.944 112.5 45.3 -65.7 -48.2 15.7 11.6 43.6 42 71 A Q H X S+ 0 0 70 -4,-2.3 4,-1.0 -5,-0.2 5,-0.2 0.899 106.4 62.3 -61.9 -41.5 16.6 8.5 45.7 43 72 A H H >X S+ 0 0 72 -4,-2.4 4,-2.6 1,-0.2 3,-0.6 0.931 111.1 35.4 -49.7 -55.3 13.3 6.9 44.8 44 73 A F H 3X S+ 0 0 1 -4,-1.6 4,-2.7 1,-0.2 7,-0.2 0.827 114.0 56.5 -72.9 -31.9 13.9 6.8 41.1 45 74 A L H 3< S+ 0 0 1 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.627 114.2 43.6 -74.0 -10.0 17.6 6.1 41.4 46 75 A T H << S+ 0 0 88 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.842 123.4 32.3 -96.0 -47.9 16.5 3.1 43.5 47 76 A L H < S+ 0 0 86 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.855 139.0 11.6 -79.5 -38.7 13.7 1.9 41.3 48 77 A C >< + 0 0 1 -4,-2.7 3,-2.3 -5,-0.2 19,-0.2 -0.304 63.1 151.9-142.7 59.8 15.0 2.8 37.9 49 78 A P G > S+ 0 0 37 0, 0.0 3,-2.1 0, 0.0 -38,-0.5 0.825 73.9 70.4 -55.6 -34.3 18.7 3.9 37.9 50 79 A E G 3 S+ 0 0 77 1,-0.3 71,-0.1 -40,-0.1 18,-0.1 0.643 91.9 59.5 -60.7 -13.8 18.9 2.7 34.3 51 80 A L G < S+ 0 0 0 -3,-2.3 16,-1.3 -7,-0.2 2,-0.3 0.114 95.8 79.9-102.6 21.2 16.7 5.6 33.4 52 81 A S E < - B 0 66A 0 -3,-2.1 2,-0.3 14,-0.2 14,-0.2 -0.876 54.7-172.8-123.9 157.1 19.3 8.1 34.7 53 82 A L E - B 0 65A 4 12,-2.0 12,-2.4 -2,-0.3 2,-0.3 -0.972 3.6-174.2-151.1 135.5 22.5 9.5 33.3 54 83 A G E -AB 9 64A 0 -45,-2.5 -45,-1.8 -2,-0.3 2,-0.5 -0.973 17.8-142.2-135.4 148.8 25.1 11.8 34.8 55 84 A W E -AB 8 63A 19 8,-2.8 7,-3.1 -2,-0.3 8,-1.1 -0.942 18.9-166.8-109.8 122.6 28.3 13.5 33.6 56 85 A F E -AB 7 61A 15 -49,-2.6 -49,-1.5 -2,-0.5 2,-0.6 -0.941 6.4-169.2-114.6 126.2 31.2 13.6 36.0 57 86 A V E > S-AB 6 60A 26 3,-2.7 3,-0.5 -2,-0.5 -51,-0.2 -0.953 80.5 -16.4-113.1 114.8 34.2 15.9 35.5 58 87 A E T 3 S- 0 0 104 -54,-1.5 -1,-0.2 -53,-0.6 -53,-0.2 0.919 132.2 -49.3 58.9 43.6 37.2 15.1 37.8 59 88 A G T 3 S+ 0 0 29 -55,-0.7 2,-0.4 1,-0.2 -1,-0.2 0.703 117.2 109.1 71.0 21.1 34.9 13.1 40.1 60 89 A R E < S-B 57 0A 171 -3,-0.5 -3,-2.7 -42,-0.0 -1,-0.2 -0.996 71.2-117.9-133.0 133.2 32.1 15.7 40.4 61 90 A L E +B 56 0A 24 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.470 37.5 163.6 -66.2 132.3 28.7 15.6 38.8 62 91 A V E + 0 0 3 -7,-3.1 36,-3.6 1,-0.4 2,-0.3 0.462 65.0 19.3-126.2 -11.6 28.2 18.5 36.4 63 92 A A E +BC 55 97A 0 -8,-1.1 -8,-2.8 34,-0.3 -1,-0.4 -0.982 64.6 172.3-158.5 147.0 25.1 17.3 34.5 64 93 A F E -BC 54 96A 0 32,-2.1 32,-1.6 -2,-0.3 2,-0.4 -0.999 20.7-157.6-159.1 155.6 22.3 14.9 35.0 65 94 A I E -BC 53 95A 0 -12,-2.4 -12,-2.0 -2,-0.3 2,-0.5 -0.994 13.6-167.7-132.2 136.2 19.0 13.5 33.7 66 95 A I E +BC 52 94A 1 28,-1.8 27,-2.2 -2,-0.4 28,-1.2 -0.963 20.3 155.7-130.6 116.2 16.6 11.6 36.0 67 96 A G E - C 0 92A 1 -16,-1.3 2,-0.3 -2,-0.5 -16,-0.2 -0.730 22.9-169.2-132.0-179.2 13.7 9.7 34.6 68 97 A S E - C 0 91A 0 23,-1.6 23,-3.4 -2,-0.2 2,-0.3 -0.911 39.8 -83.8-156.8 172.7 11.2 6.9 35.1 69 98 A L E - C 0 90A 11 -2,-0.3 15,-2.2 21,-0.2 2,-0.3 -0.653 35.2-165.2 -92.1 147.1 8.7 5.1 32.8 70 99 A W E - C 0 89A 0 19,-2.3 19,-1.8 -2,-0.3 18,-0.7 -0.966 10.1-161.0-127.4 144.4 5.2 6.5 32.2 71 100 A D + 0 0 73 -2,-0.3 2,-0.3 16,-0.3 3,-0.0 0.126 62.7 76.7-116.5 23.0 2.4 4.4 30.6 72 101 A E S S- 0 0 82 1,-0.1 -2,-0.1 2,-0.1 4,-0.0 -0.914 79.5-118.1-129.9 157.6 -0.1 7.1 29.4 73 102 A E S S+ 0 0 139 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.875 97.5 38.5 -60.9 -41.5 -0.1 9.4 26.4 74 103 A R S S- 0 0 80 54,-0.0 2,-0.3 -3,-0.0 -2,-0.1 -0.819 87.9-108.9-115.3 155.9 -0.0 12.6 28.4 75 104 A L - 0 0 1 -2,-0.3 76,-0.6 54,-0.1 2,-0.2 -0.601 38.2-170.7 -79.6 137.8 1.8 13.6 31.6 76 105 A T > - 0 0 38 -2,-0.3 4,-0.6 75,-0.1 76,-0.1 -0.749 38.9-100.1-124.0 172.4 -0.4 14.0 34.7 77 106 A Q T >4 S+ 0 0 97 -2,-0.2 3,-0.9 1,-0.2 4,-0.3 0.886 122.0 51.1 -59.9 -40.5 0.1 15.2 38.2 78 107 A E G >4 S+ 0 0 97 1,-0.2 3,-1.6 2,-0.2 4,-0.3 0.865 95.1 68.4 -67.2 -36.8 0.5 11.7 39.6 79 108 A S G >4 S+ 0 0 0 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.732 82.5 81.5 -55.3 -20.6 3.2 10.7 37.0 80 109 A L G << S+ 0 0 48 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.889 106.2 22.1 -51.5 -45.8 5.4 13.2 38.9 81 110 A A G < S+ 0 0 44 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.2 0.147 108.8 97.1-113.5 22.0 6.2 10.7 41.6 82 111 A L < - 0 0 60 -3,-1.0 2,-0.5 -4,-0.3 -38,-0.0 -0.817 49.5-159.7-119.1 154.2 5.6 7.4 39.8 83 112 A H - 0 0 33 -2,-0.3 -13,-0.2 -15,-0.1 3,-0.1 -0.987 10.7-162.1-126.6 115.6 7.4 4.7 37.9 84 113 A R > - 0 0 56 -15,-2.2 3,-2.0 -2,-0.5 -2,-0.0 -0.845 1.0-167.4-102.5 96.7 5.2 2.5 35.7 85 114 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.2 0, 0.0 -15,-0.1 0.764 89.4 51.2 -52.6 -31.0 7.3 -0.7 35.0 86 115 A R T 3 S+ 0 0 215 -17,-0.1 -16,-0.1 -3,-0.1 -2,-0.0 0.591 91.1 110.5 -84.8 -11.4 4.9 -1.7 32.2 87 116 A G < - 0 0 1 -3,-2.0 -16,-0.3 1,-0.1 -18,-0.0 -0.106 56.1-155.2 -64.8 161.7 5.1 1.7 30.6 88 117 A H + 0 0 73 -18,-0.7 37,-2.7 36,-0.1 38,-1.6 0.222 66.5 90.9-120.7 10.7 6.8 2.5 27.2 89 118 A S E -Cd 70 126A 8 -19,-1.8 -19,-2.3 35,-0.2 2,-1.0 -0.937 67.5-141.2-116.0 125.5 7.6 6.1 27.8 90 119 A A E -Cd 69 127A 0 36,-3.1 38,-2.5 -2,-0.5 2,-0.8 -0.738 23.1-154.8 -81.9 104.0 10.8 7.4 29.2 91 120 A H E -Cd 68 128A 3 -23,-3.4 -23,-1.6 -2,-1.0 2,-0.9 -0.749 2.7-149.9 -86.1 108.6 9.6 10.3 31.4 92 121 A L E +C 67 0A 10 36,-2.8 38,-0.5 -2,-0.8 -25,-0.3 -0.697 17.4 179.3 -79.5 107.0 12.4 12.8 31.9 93 122 A H E + 0 0 22 -27,-2.2 2,-0.3 -2,-0.9 -26,-0.2 0.829 65.4 4.0 -78.1 -33.7 11.7 14.3 35.4 94 123 A A E -C 66 0A 7 -28,-1.2 -28,-1.8 -59,-0.1 2,-0.4 -0.990 51.4-175.9-157.4 144.6 14.6 16.7 35.4 95 124 A L E +C 65 0A 40 -2,-0.3 2,-0.3 -30,-0.2 -30,-0.2 -0.987 25.0 150.3-139.4 125.6 17.5 17.9 33.2 96 125 A A E -C 64 0A 8 -32,-1.6 -32,-2.1 -2,-0.4 2,-0.4 -0.992 30.1-150.5-157.0 153.5 20.1 20.3 34.5 97 126 A V E -C 63 0A 17 -2,-0.3 -34,-0.3 -34,-0.2 5,-0.1 -0.993 41.1 -94.9-128.1 133.9 23.8 21.2 34.1 98 127 A H > - 0 0 58 -36,-3.6 3,-2.1 -2,-0.4 4,-0.2 -0.104 36.8-115.4 -46.7 143.0 25.9 22.7 36.9 99 128 A R G > S+ 0 0 139 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.785 113.9 51.9 -52.3 -38.0 26.0 26.5 36.9 100 129 A S G 3 S+ 0 0 77 1,-0.2 -1,-0.3 -38,-0.0 -2,-0.1 0.424 111.0 49.7 -83.6 2.1 29.7 26.6 36.2 101 130 A F G < S+ 0 0 57 -3,-2.1 3,-0.4 -39,-0.2 5,-0.3 0.258 81.3 117.9-125.3 15.9 29.4 24.3 33.2 102 131 A R < + 0 0 94 -3,-0.7 -4,-0.0 -4,-0.2 -3,-0.0 -0.205 60.6 33.2 -82.1 172.6 26.6 25.7 31.0 103 132 A Q S S+ 0 0 194 1,-0.1 -1,-0.2 2,-0.0 0, 0.0 0.772 89.8 99.8 54.9 32.6 26.5 27.0 27.4 104 133 A Q S S- 0 0 138 -3,-0.4 -1,-0.1 0, 0.0 -2,-0.1 0.118 101.4-101.5-128.9 16.4 29.2 24.5 26.4 105 134 A G S > S+ 0 0 38 1,-0.0 4,-2.7 3,-0.0 3,-0.5 0.256 87.5 121.8 82.7 -10.6 27.1 21.9 24.8 106 135 A K H > S+ 0 0 36 -5,-0.3 4,-3.0 1,-0.2 5,-0.2 0.873 73.8 50.8 -53.5 -42.3 27.1 19.5 27.7 107 136 A G H > S+ 0 0 14 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.874 112.5 45.9 -64.3 -37.2 23.4 19.5 28.2 108 137 A S H > S+ 0 0 35 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.886 113.8 49.2 -72.9 -38.9 22.8 18.7 24.5 109 138 A V H X S+ 0 0 69 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.941 113.7 46.1 -63.6 -47.0 25.5 16.0 24.5 110 139 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 -5,-0.2 -2,-0.2 0.907 112.5 50.3 -62.0 -44.1 24.0 14.4 27.6 111 140 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.918 112.4 46.2 -63.0 -44.1 20.4 14.6 26.2 112 141 A W H X S+ 0 0 110 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.923 114.3 47.7 -64.7 -43.6 21.5 13.0 22.9 113 142 A R H X S+ 0 0 118 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.872 112.4 51.5 -64.3 -34.5 23.4 10.3 24.8 114 143 A Y H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.4 0.909 105.4 53.3 -68.5 -44.0 20.4 9.8 27.1 115 144 A L H X S+ 0 0 7 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.889 113.9 43.0 -59.5 -39.1 17.9 9.4 24.2 116 145 A H H X S+ 0 0 127 -4,-1.7 4,-0.8 2,-0.2 -1,-0.2 0.891 112.5 54.9 -73.0 -39.8 20.0 6.6 22.7 117 146 A H H >X S+ 0 0 55 -4,-2.1 3,-0.6 1,-0.2 4,-0.5 0.935 116.7 33.7 -58.8 -53.0 20.7 5.1 26.1 118 147 A V H >< S+ 0 0 0 -4,-2.8 3,-0.6 1,-0.2 6,-0.3 0.786 112.5 63.2 -75.5 -26.3 17.0 4.7 27.0 119 148 A G H 3< S+ 0 0 33 -4,-1.4 -1,-0.2 -5,-0.4 -2,-0.2 0.680 95.6 60.9 -70.2 -15.9 16.1 4.0 23.4 120 149 A A H << S+ 0 0 79 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.802 85.0 95.8 -77.9 -29.7 18.3 1.0 23.7 121 150 A Q S << S- 0 0 40 -3,-0.6 3,-0.4 -4,-0.5 -3,-0.0 -0.469 81.3-128.3 -69.7 126.6 16.0 -0.4 26.4 122 151 A P S S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.818 104.0 43.5 -35.4 -58.5 13.3 -2.8 25.1 123 152 A A S S+ 0 0 32 -38,-0.1 2,-0.5 2,-0.0 -4,-0.1 0.885 89.4 95.6 -63.5 -43.6 10.3 -1.1 26.6 124 153 A V + 0 0 6 -3,-0.4 -35,-0.2 -6,-0.3 -36,-0.1 -0.350 33.0 147.2 -60.6 108.2 11.3 2.5 25.8 125 154 A R + 0 0 152 -37,-2.7 41,-3.4 -2,-0.5 2,-0.3 0.571 67.7 22.5-112.8 -20.5 9.5 3.6 22.6 126 155 A R E -dE 89 165A 48 -38,-1.6 -36,-3.1 39,-0.3 2,-0.4 -0.950 64.2-142.2-145.4 160.4 9.0 7.3 23.3 127 156 A A E -dE 90 164A 0 37,-3.1 37,-2.9 -2,-0.3 2,-0.3 -0.985 20.6-173.5-127.7 139.2 10.4 10.0 25.5 128 157 A V E +dE 91 163A 0 -38,-2.5 -36,-2.8 -2,-0.4 2,-0.3 -0.968 11.6 152.2-135.8 151.3 8.4 12.7 27.3 129 158 A L E - 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