==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-JAN-02 1KUX . COMPND 2 MOLECULE: SEROTONIN N-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: OVIS ARIES; . AUTHOR E.WOLF,J.DE ANGELIS,E.M.KHALIL,P.A.COLE,S.K.BURLEY . 166 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8731.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 66.3 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 . 36 21.7 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 . 24 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 19.9 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 1 0 0 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 2 0 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 0 239 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -22.0 44.7 6.1 41.0 2 31 A T - 0 0 99 0, 0.0 57,-0.1 0, 0.0 56,-0.0 -0.955 360.0 -96.8-153.6 171.3 43.1 9.3 39.7 3 32 A L - 0 0 87 -2,-0.3 55,-0.1 55,-0.1 57,-0.0 -0.850 47.1-118.4 -95.9 118.1 39.9 11.1 38.9 4 33 A P - 0 0 58 0, 0.0 54,-1.4 0, 0.0 55,-0.7 -0.229 11.7-130.4 -56.9 140.5 38.9 10.8 35.3 5 34 A A S S+ 0 0 52 1,-0.2 53,-0.4 52,-0.2 2,-0.3 0.894 93.4 6.6 -57.2 -41.5 38.8 14.0 33.3 6 35 A N + 0 0 88 51,-0.2 2,-0.3 52,-0.1 -1,-0.2 -0.997 68.2 173.9-144.5 140.1 35.3 13.0 32.0 7 36 A E E -A 56 0A 81 49,-1.8 49,-2.8 -2,-0.3 2,-0.5 -0.941 12.0-163.2-151.5 126.7 33.0 10.1 32.9 8 37 A F E +A 55 0A 51 -2,-0.3 2,-0.3 47,-0.2 47,-0.2 -0.938 29.9 142.6-109.3 128.0 29.5 9.3 31.8 9 38 A R E -A 54 0A 75 45,-2.1 45,-2.8 -2,-0.5 2,-0.1 -0.993 53.5 -89.9-159.5 159.6 27.5 6.7 33.8 10 39 A C - 0 0 44 -2,-0.3 43,-0.2 43,-0.2 40,-0.1 -0.446 53.2-115.5 -68.1 148.5 24.1 5.9 35.2 11 40 A L - 0 0 0 38,-0.5 41,-0.2 -2,-0.1 -1,-0.1 -0.369 24.4-157.0 -85.3 166.2 23.6 7.3 38.7 12 41 A T > - 0 0 52 -2,-0.1 3,-2.8 0, 0.0 4,-0.3 -0.886 39.6 -94.4-134.5 164.3 23.1 5.5 42.0 13 42 A P G > S+ 0 0 52 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.742 120.3 69.6 -55.0 -21.4 21.5 6.6 45.2 14 43 A E G 3 S+ 0 0 157 1,-0.3 4,-0.3 2,-0.1 3,-0.3 0.682 94.8 56.8 -69.6 -15.1 24.9 7.6 46.5 15 44 A D G <> S+ 0 0 21 -3,-2.8 4,-2.1 1,-0.2 3,-0.3 0.489 77.9 96.8 -92.2 -5.9 24.8 10.4 44.0 16 45 A A H <> S+ 0 0 1 -3,-1.3 4,-2.7 -4,-0.3 5,-0.2 0.883 80.2 52.5 -50.7 -48.7 21.5 11.9 45.4 17 46 A A H > S+ 0 0 64 -4,-0.3 4,-1.9 -3,-0.3 -1,-0.2 0.896 110.4 47.7 -56.6 -44.9 23.2 14.5 47.5 18 47 A G H > S+ 0 0 35 -3,-0.3 4,-1.5 -4,-0.3 -1,-0.2 0.869 111.8 50.9 -65.0 -38.6 25.2 15.8 44.5 19 48 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 3,-0.4 0.961 110.3 47.4 -63.4 -53.0 22.1 15.9 42.4 20 49 A F H X S+ 0 0 52 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.868 106.3 59.2 -59.2 -37.2 20.0 17.9 44.9 21 50 A E H X S+ 0 0 102 -4,-1.9 4,-1.0 -5,-0.2 -1,-0.2 0.914 106.9 46.6 -59.0 -41.6 22.9 20.4 45.4 22 51 A I H >X S+ 0 0 11 -4,-1.5 4,-3.2 -3,-0.4 3,-0.6 0.920 109.0 55.4 -66.5 -40.7 22.8 21.3 41.8 23 52 A E H 3X>S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-1.7 0.838 96.9 65.5 -59.6 -34.5 19.0 21.6 41.9 24 53 A R H 3<>S+ 0 0 133 -4,-2.0 5,-1.7 3,-0.2 -1,-0.2 0.917 116.4 26.4 -54.1 -45.5 19.3 24.1 44.7 25 54 A E H <<5S+ 0 0 54 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.893 124.0 50.9 -84.2 -44.2 21.0 26.5 42.4 26 55 A A H <5S+ 0 0 22 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.824 133.5 0.6 -64.5 -36.4 19.5 25.3 39.1 27 56 A F T >X>S+ 0 0 48 -4,-3.0 4,-3.0 -5,-0.2 3,-1.4 0.736 125.6 52.9-119.6 -58.7 15.8 25.3 40.2 28 57 A I H 3> - 0 0 71 -2,-0.4 4,-2.4 -3,-0.1 5,-0.2 -0.330 49.0 -86.4 -83.7 177.3 13.7 16.6 46.5 38 67 A L H > S+ 0 0 74 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.900 129.4 48.4 -52.0 -48.0 16.4 14.4 48.0 39 68 A D H > S+ 0 0 113 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.898 112.1 49.4 -61.3 -41.1 13.9 11.5 48.8 40 69 A E H > S+ 0 0 59 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.860 109.5 51.6 -67.5 -35.7 12.5 11.6 45.3 41 70 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.959 112.3 46.2 -64.3 -48.0 16.0 11.5 43.7 42 71 A Q H X S+ 0 0 73 -4,-2.5 4,-0.6 -5,-0.2 -2,-0.2 0.839 107.6 60.4 -62.2 -33.1 16.8 8.5 45.9 43 72 A H H >X S+ 0 0 72 -4,-2.0 4,-2.5 -5,-0.2 3,-0.7 0.960 111.1 36.3 -60.0 -54.1 13.4 7.0 44.9 44 73 A F H 3X S+ 0 0 2 -4,-1.9 4,-2.5 1,-0.2 7,-0.2 0.844 113.7 56.3 -71.3 -33.0 14.1 6.9 41.2 45 74 A L H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.596 113.8 43.9 -74.4 -8.0 17.8 6.1 41.5 46 75 A T H << S+ 0 0 90 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.840 121.7 34.3 -98.0 -49.2 16.7 3.0 43.6 47 76 A L H < S+ 0 0 89 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.861 138.7 10.1 -75.9 -38.3 13.8 1.8 41.4 48 77 A C >< + 0 0 1 -4,-2.5 3,-1.5 -5,-0.2 19,-0.3 -0.436 62.6 153.9-146.1 69.5 15.2 2.7 38.0 49 78 A P G > S+ 0 0 35 0, 0.0 3,-2.0 0, 0.0 -38,-0.5 0.795 73.6 71.0 -64.4 -30.2 18.9 3.8 38.0 50 79 A E G 3 S+ 0 0 84 1,-0.3 18,-0.1 -40,-0.1 -5,-0.1 0.645 91.7 59.7 -63.5 -13.5 19.1 2.6 34.4 51 80 A L G < S+ 0 0 1 -3,-1.5 16,-1.0 -7,-0.2 2,-0.3 0.142 96.6 79.0-101.0 19.8 16.9 5.6 33.4 52 81 A S E < - B 0 66A 0 -3,-2.0 2,-0.3 14,-0.2 14,-0.2 -0.848 56.5-169.8-122.7 160.8 19.4 8.1 34.8 53 82 A L E - B 0 65A 4 12,-2.0 12,-1.9 -2,-0.3 2,-0.4 -0.975 1.6-169.4-152.4 135.7 22.7 9.5 33.5 54 83 A G E -AB 9 64A 0 -45,-2.8 -45,-2.1 -2,-0.3 2,-0.5 -0.964 13.2-150.6-131.6 147.7 25.4 11.6 35.0 55 84 A W E -AB 8 63A 16 8,-2.5 7,-2.9 -2,-0.4 8,-1.1 -0.974 18.8-167.5-115.0 121.2 28.4 13.5 33.7 56 85 A F E -AB 7 61A 15 -49,-2.8 -49,-1.8 -2,-0.5 2,-0.5 -0.915 7.7-164.9-114.3 138.3 31.4 13.7 36.0 57 86 A V E > S- B 0 60A 28 3,-3.1 3,-1.2 -2,-0.4 -51,-0.2 -0.983 78.1 -18.8-122.9 118.1 34.4 16.0 35.6 58 87 A E T 3 S- 0 0 100 -54,-1.4 -53,-0.2 -2,-0.5 -1,-0.2 0.921 132.5 -46.2 50.6 49.6 37.5 15.3 37.7 59 88 A G T 3 S+ 0 0 29 -55,-0.7 2,-0.4 1,-0.2 -1,-0.3 0.554 119.1 104.5 74.3 11.1 35.4 13.2 40.1 60 89 A R E < S-B 57 0A 165 -3,-1.2 -3,-3.1 -57,-0.0 2,-0.2 -0.978 72.7-114.6-129.8 138.4 32.5 15.7 40.4 61 90 A L E +B 56 0A 23 -2,-0.4 -5,-0.2 -5,-0.3 3,-0.1 -0.475 37.1 163.5 -68.6 130.5 29.0 15.7 39.0 62 91 A V E + 0 0 3 -7,-2.9 36,-3.7 1,-0.4 2,-0.3 0.481 64.5 14.7-123.8 -12.1 28.4 18.6 36.5 63 92 A A E +BC 55 97A 0 -8,-1.1 -8,-2.5 34,-0.3 -1,-0.4 -0.965 63.4 172.4-163.0 147.1 25.2 17.4 34.6 64 93 A F E -BC 54 96A 0 32,-2.2 32,-1.9 -2,-0.3 2,-0.4 -0.994 21.4-156.1-157.4 160.7 22.5 14.9 35.0 65 94 A I E -BC 53 95A 0 -12,-1.9 -12,-2.0 -2,-0.3 2,-0.5 -0.987 14.5-168.2-138.8 125.9 19.1 13.5 33.8 66 95 A I E +BC 52 94A 1 28,-2.2 27,-2.2 -2,-0.4 28,-1.5 -0.979 20.1 159.5-120.0 122.9 16.9 11.6 36.1 67 96 A G E - C 0 92A 1 -16,-1.0 2,-0.3 -2,-0.5 -16,-0.2 -0.745 21.2-169.6-134.1-178.4 13.9 9.7 34.7 68 97 A S E - C 0 91A 0 23,-1.5 23,-3.2 -2,-0.2 2,-0.3 -0.908 37.8 -81.3-157.0 178.2 11.4 6.9 35.1 69 98 A L E - C 0 90A 17 -2,-0.3 15,-2.7 21,-0.2 2,-0.3 -0.741 35.9-170.3 -96.6 142.7 8.8 5.0 33.1 70 99 A W E - C 0 89A 0 19,-2.2 19,-1.7 -2,-0.3 18,-0.6 -0.931 11.1-162.6-125.6 151.3 5.3 6.4 32.4 71 100 A D + 0 0 75 -2,-0.3 2,-0.3 16,-0.2 3,-0.1 0.056 60.4 80.4-127.1 27.4 2.5 4.5 30.8 72 101 A E S S- 0 0 78 1,-0.1 -2,-0.0 17,-0.1 4,-0.0 -0.945 79.4-117.9-131.7 153.1 -0.0 7.1 29.6 73 102 A E S S+ 0 0 147 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.909 98.1 34.8 -55.7 -46.6 -0.1 9.3 26.6 74 103 A R S S- 0 0 78 -3,-0.1 2,-0.2 54,-0.0 -3,-0.1 -0.796 89.4-105.3-114.2 155.5 0.1 12.6 28.6 75 104 A L - 0 0 1 -2,-0.3 76,-0.6 54,-0.1 2,-0.3 -0.477 38.4-170.2 -73.9 144.9 1.8 13.5 31.8 76 105 A T > - 0 0 37 -2,-0.2 3,-0.9 75,-0.1 4,-0.4 -0.835 38.8 -99.7-131.1 169.5 -0.3 13.9 34.9 77 106 A Q G > S+ 0 0 100 -2,-0.3 3,-1.5 1,-0.3 4,-0.3 0.907 123.1 53.1 -57.4 -42.4 0.2 15.2 38.4 78 107 A E G > S+ 0 0 97 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.750 92.8 74.6 -65.3 -22.4 0.7 11.6 39.8 79 108 A S G X S+ 0 0 0 -3,-0.9 3,-0.7 1,-0.2 -1,-0.3 0.707 79.7 74.9 -62.4 -21.9 3.4 11.1 37.1 80 109 A L G < S+ 0 0 42 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.836 108.0 26.7 -61.7 -35.0 5.8 13.2 39.2 81 110 A A G < S+ 0 0 53 -3,-1.1 2,-0.3 -4,-0.3 -1,-0.2 0.195 106.6 95.6-116.0 18.5 6.4 10.6 41.8 82 111 A L < - 0 0 58 -3,-0.7 2,-0.5 -4,-0.3 -38,-0.0 -0.847 46.6-166.4-119.8 150.1 5.7 7.4 39.9 83 112 A H - 0 0 29 -2,-0.3 -13,-0.2 -15,-0.1 3,-0.1 -0.983 12.4-160.8-127.3 113.3 7.7 4.7 38.0 84 113 A R > - 0 0 57 -15,-2.7 3,-2.7 -2,-0.5 -2,-0.0 -0.824 0.7-165.5 -99.1 95.2 5.5 2.5 35.9 85 114 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.2 0, 0.0 -15,-0.1 0.783 89.1 51.2 -48.6 -34.3 7.6 -0.6 35.2 86 115 A R T 3 S+ 0 0 205 -17,-0.1 -16,-0.1 -3,-0.1 -2,-0.0 0.432 90.9 109.3 -87.3 0.2 5.3 -1.7 32.5 87 116 A G < - 0 0 0 -3,-2.7 -16,-0.2 1,-0.1 -18,-0.0 -0.252 57.3-152.9 -76.2 164.5 5.3 1.6 30.7 88 117 A H + 0 0 61 -18,-0.6 37,-2.7 36,-0.1 38,-1.6 0.182 66.9 91.0-120.8 14.5 7.0 2.4 27.4 89 118 A S E -Cd 70 126A 10 -19,-1.7 -19,-2.2 35,-0.2 2,-0.9 -0.955 66.1-141.7-118.6 126.7 7.7 6.1 27.9 90 119 A A E -Cd 69 127A 0 36,-3.3 38,-2.8 -2,-0.5 2,-0.7 -0.754 21.0-156.9 -85.1 107.5 10.9 7.5 29.4 91 120 A H E -Cd 68 128A 4 -23,-3.2 -23,-1.5 -2,-0.9 2,-0.9 -0.792 5.7-147.2 -90.6 112.4 9.8 10.4 31.5 92 121 A L E +C 67 0A 11 36,-2.7 38,-0.4 -2,-0.7 -25,-0.2 -0.710 22.0 175.0 -79.6 108.4 12.6 13.0 32.1 93 122 A H E + 0 0 24 -27,-2.2 2,-0.4 -2,-0.9 -26,-0.2 0.885 64.9 10.4 -81.7 -42.4 11.9 14.3 35.6 94 123 A A E +C 66 0A 4 -28,-1.5 -28,-2.2 -59,-0.1 2,-0.4 -0.996 56.5 175.6-145.4 135.8 14.9 16.5 36.0 95 124 A L E +C 65 0A 36 -2,-0.4 2,-0.3 -30,-0.2 -30,-0.2 -0.987 20.8 148.9-138.8 123.7 17.7 17.8 33.6 96 125 A A E -C 64 0A 10 -32,-1.9 -32,-2.2 -2,-0.4 2,-0.4 -0.996 31.5-148.6-157.6 154.3 20.4 20.2 34.7 97 126 A V E -C 63 0A 16 -2,-0.3 -34,-0.3 -34,-0.2 5,-0.1 -0.979 41.6 -96.0-124.7 136.3 24.0 21.3 34.2 98 127 A H > - 0 0 59 -36,-3.7 3,-2.7 -2,-0.4 4,-0.4 -0.187 36.5-116.8 -50.1 137.7 26.2 22.8 37.0 99 128 A R G > S+ 0 0 162 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.767 114.0 53.9 -49.3 -33.8 26.2 26.6 36.8 100 129 A S G 3 S+ 0 0 85 1,-0.2 -1,-0.3 -38,-0.0 -2,-0.1 0.488 109.8 47.9 -83.7 -1.4 29.9 26.7 36.1 101 130 A F G < S+ 0 0 57 -3,-2.7 3,-0.5 -39,-0.2 5,-0.4 0.282 83.8 117.5-122.3 12.5 29.6 24.4 33.1 102 131 A R < + 0 0 86 -3,-0.6 -4,-0.0 -4,-0.4 -3,-0.0 -0.239 60.2 33.8 -79.8 167.4 26.6 25.8 31.1 103 132 A Q S S+ 0 0 204 1,-0.1 -1,-0.2 -2,-0.0 -2,-0.0 0.664 91.8 96.2 65.0 20.4 26.5 27.3 27.5 104 133 A Q S S- 0 0 147 -3,-0.5 -1,-0.1 0, 0.0 -2,-0.1 -0.044 104.5 -95.4-127.7 30.3 29.1 24.9 26.3 105 134 A G S > S+ 0 0 37 1,-0.1 4,-2.8 3,-0.0 5,-0.2 0.364 88.9 121.8 76.2 -5.0 27.0 22.1 24.8 106 135 A K H > S+ 0 0 33 -5,-0.4 4,-2.8 1,-0.2 5,-0.2 0.902 75.2 50.7 -58.1 -42.7 27.1 19.8 27.9 107 136 A G H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.925 113.8 44.7 -60.3 -44.6 23.3 19.8 28.1 108 137 A S H > S+ 0 0 34 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.894 113.6 50.0 -65.8 -42.4 22.9 18.9 24.4 109 138 A V H X S+ 0 0 69 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.935 113.6 45.4 -62.0 -47.2 25.6 16.2 24.6 110 139 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.895 112.2 51.0 -64.5 -42.2 24.0 14.6 27.7 111 140 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.941 110.8 48.3 -63.3 -46.2 20.5 14.7 26.3 112 141 A W H X S+ 0 0 107 -4,-2.4 4,-1.9 1,-0.2 5,-0.2 0.917 113.1 47.3 -60.6 -43.3 21.6 13.0 23.0 113 142 A R H X S+ 0 0 120 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.889 111.9 52.0 -64.2 -37.9 23.5 10.3 24.9 114 143 A Y H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.4 0.932 107.1 51.5 -63.5 -47.8 20.5 9.8 27.2 115 144 A L H X S+ 0 0 6 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.897 114.8 42.4 -57.7 -42.6 18.1 9.4 24.2 116 145 A H H < S+ 0 0 128 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.886 114.0 53.7 -71.5 -37.1 20.3 6.8 22.7 117 146 A H H >< S+ 0 0 58 -4,-2.5 3,-0.9 -5,-0.2 -2,-0.2 0.946 117.0 34.5 -61.2 -53.1 20.9 5.2 26.1 118 147 A V H >< S+ 0 0 0 -4,-3.1 3,-1.5 1,-0.3 6,-0.3 0.807 111.1 63.4 -74.3 -29.7 17.2 4.8 26.9 119 148 A G T 3< S+ 0 0 36 -4,-1.8 -1,-0.3 -5,-0.4 -2,-0.2 0.180 94.1 65.5 -79.5 20.2 16.3 4.1 23.3 120 149 A A T < S+ 0 0 80 -3,-0.9 -1,-0.3 -5,-0.0 -2,-0.2 0.377 82.4 93.8-116.5 -3.5 18.4 1.0 23.6 121 150 A Q S X S- 0 0 52 -3,-1.5 3,-1.1 3,-0.1 2,-1.0 -0.791 84.7-116.6 -99.5 136.1 16.2 -0.7 26.1 122 151 A P T 3 S+ 0 0 141 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.114 106.4 35.0 -53.5 14.7 13.4 -3.1 25.0 123 152 A A T 3 S+ 0 0 32 -2,-1.0 2,-0.8 1,-0.1 3,-0.1 0.485 85.4 101.0-142.8 -23.3 10.4 -1.1 26.2 124 153 A V < + 0 0 10 -3,-1.1 -35,-0.2 -6,-0.3 -36,-0.1 -0.616 29.8 151.5 -76.8 107.4 11.2 2.6 25.7 125 154 A R + 0 0 162 -37,-2.7 41,-2.9 -2,-0.8 2,-0.3 0.548 65.9 24.3-109.6 -15.9 9.4 3.7 22.6 126 155 A R E -dE 89 165A 46 -38,-1.6 -36,-3.3 39,-0.3 2,-0.4 -0.976 61.1-144.1-149.3 158.4 9.0 7.3 23.5 127 156 A A E -dE 90 164A 0 37,-2.4 37,-2.6 -2,-0.3 2,-0.3 -0.982 21.6-171.7-124.6 136.8 10.6 10.1 25.7 128 157 A V E +dE 91 163A 0 -38,-2.8 -36,-2.7 -2,-0.4 2,-0.3 -0.956 12.5 151.7-132.4 151.0 8.4 12.7 27.4 129 158 A L E - E 0 162A 8 33,-1.8 33,-2.6 -2,-0.3 2,-0.4 -0.959 31.5-127.7-162.3 172.7 9.1 15.9 29.4 130 159 A M E + E 0 161A 47 -38,-0.4 2,-0.3 -2,-0.3 31,-0.2 -0.980 30.8 168.8-131.8 143.8 7.7 19.3 30.3 131 160 A C E - E 0 160A 2 29,-2.1 29,-2.8 -2,-0.4 19,-0.1 -0.982 40.2 -85.4-152.6 163.0 9.5 22.6 29.9 132 161 A E > - 0 0 104 -2,-0.3 3,-1.9 27,-0.2 4,-0.3 -0.342 49.4-108.7 -65.9 151.1 9.0 26.3 30.0 133 162 A D G > S+ 0 0 103 1,-0.3 3,-1.9 25,-0.3 -1,-0.1 0.864 115.3 63.2 -50.3 -43.9 7.8 27.8 26.7 134 163 A A G 3 S+ 0 0 92 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.680 102.3 52.0 -58.6 -18.2 11.2 29.4 25.9 135 164 A L G <> S+ 0 0 63 -3,-1.9 4,-1.9 1,-0.1 -1,-0.3 0.437 79.3 94.2 -99.7 -0.4 12.8 26.0 25.8 136 165 A V H <> S+ 0 0 20 -3,-1.9 4,-1.8 -4,-0.3 -1,-0.1 0.936 85.9 49.5 -56.4 -49.0 10.5 24.3 23.3 137 166 A P H > S+ 0 0 68 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.856 106.4 57.8 -59.9 -35.1 12.7 25.1 20.3 138 167 A F H >4 S+ 0 0 40 -4,-0.2 3,-0.9 1,-0.2 -2,-0.2 0.945 109.6 42.9 -60.3 -48.8 15.7 23.8 22.1 139 168 A Y H ><>S+ 0 0 23 -4,-1.9 3,-2.1 1,-0.2 5,-1.6 0.785 101.5 67.8 -71.1 -24.7 14.1 20.4 22.5 140 169 A Q H ><5S+ 0 0 98 -4,-1.8 3,-1.4 1,-0.3 -1,-0.2 0.791 89.2 68.6 -63.3 -23.7 12.7 20.3 19.0 141 170 A R T <<5S+ 0 0 175 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.633 100.0 48.9 -67.5 -14.7 16.4 20.1 18.0 142 171 A F T < 5S- 0 0 8 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.285 129.9 -88.4-108.7 6.6 16.4 16.6 19.5 143 172 A G T < 5S+ 0 0 35 -3,-1.4 22,-0.5 1,-0.3 -3,-0.2 0.371 82.3 138.8 103.0 -5.5 13.2 15.2 17.8 144 173 A F < - 0 0 3 -5,-1.6 -1,-0.3 20,-0.2 20,-0.2 -0.503 36.9-156.3 -75.3 141.6 10.8 16.4 20.5 145 174 A H E -F 163 0A 129 18,-2.5 18,-2.0 -2,-0.2 2,-0.1 -0.947 26.1-106.7-118.3 138.9 7.5 17.9 19.3 146 175 A P E -F 162 0A 66 0, 0.0 16,-0.3 0, 0.0 -10,-0.0 -0.437 31.6-171.9 -64.6 134.5 5.3 20.3 21.4 147 176 A A E - 0 0 26 14,-4.0 15,-0.1 1,-0.4 -2,-0.0 -0.071 41.6 -95.9-121.5 34.2 2.3 18.5 22.7 148 177 A G E S- 0 0 34 13,-0.2 13,-3.0 2,-0.1 -1,-0.4 -0.136 72.2 -18.5 83.4 178.9 0.2 21.3 24.2 149 178 A P E -F 160 0A 110 0, 0.0 11,-0.3 0, 0.0 2,-0.2 -0.384 69.3-123.9 -61.6 128.8 -0.2 22.6 27.8 150 179 A C - 0 0 13 9,-2.7 9,-0.4 -19,-0.1 -74,-0.1 -0.552 8.2-140.1 -75.2 140.3 1.1 20.1 30.3 151 180 A A S S+ 0 0 66 -76,-0.6 -1,-0.1 -2,-0.2 2,-0.1 0.733 72.5 106.4 -72.0 -22.1 -1.5 19.2 33.0 152 181 A I - 0 0 3 -77,-0.1 2,-0.4 -76,-0.1 7,-0.4 -0.381 57.0-158.1 -64.9 130.9 1.2 19.2 35.7 153 182 A V + 0 0 90 -2,-0.1 2,-0.4 5,-0.1 5,-0.1 -0.935 16.1 175.5-114.9 131.5 1.0 22.2 38.0 154 183 A V B > -G 157 0B 30 3,-1.3 3,-2.1 -2,-0.4 2,-0.2 -0.839 61.7 -64.6-136.8 95.9 4.0 23.4 40.0 155 184 A G T 3 S- 0 0 69 -2,-0.4 -1,-0.1 1,-0.3 -124,-0.0 -0.435 110.1 -25.9 64.7-128.5 3.3 26.6 42.0 156 185 A S T 3 S+ 0 0 121 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.256 114.7 108.4-100.9 9.6 2.7 29.5 39.6 157 186 A L B < -G 154 0B 65 -3,-2.1 -3,-1.3 -126,-0.1 2,-0.3 -0.696 47.8-170.4 -91.4 139.7 4.7 27.8 36.8 158 187 A T - 0 0 109 -2,-0.3 2,-0.3 -5,-0.1 -25,-0.3 -0.919 7.1-159.5-125.1 152.6 3.1 26.3 33.8 159 188 A F - 0 0 24 -7,-0.4 -9,-2.7 -9,-0.4 2,-0.4 -0.871 19.5-125.3-134.0 165.9 4.8 24.1 31.1 160 189 A T E -EF 131 149A 23 -29,-2.8 -29,-2.1 -2,-0.3 2,-0.3 -0.912 32.1-132.1-106.1 133.6 4.5 22.8 27.6 161 190 A E E -E 130 0A 0 -13,-3.0 -14,-4.0 -2,-0.4 2,-0.4 -0.666 23.6-166.7 -87.3 144.2 4.5 19.0 27.2 162 191 A M E -EF 129 146A 0 -33,-2.6 -33,-1.8 -2,-0.3 2,-0.4 -0.997 5.4-162.6-135.5 139.2 6.9 17.5 24.6 163 192 A H E -EF 128 145A 30 -18,-2.0 -18,-2.5 -2,-0.4 2,-0.4 -0.938 1.5-166.2-122.4 144.1 7.1 14.0 23.2 164 193 A C E -E 127 0A 6 -37,-2.6 -37,-2.4 -2,-0.4 2,-0.4 -0.991 17.4-136.9-131.5 124.8 9.9 12.3 21.2 165 194 A S E E 126 0A 110 -22,-0.5 -39,-0.3 -2,-0.4 -40,-0.0 -0.647 360.0 360.0 -79.9 133.2 9.5 9.1 19.3 166 195 A L 0 0 73 -41,-2.9 -40,-0.1 -2,-0.4 -1,-0.1 -0.252 360.0 360.0-110.7 360.0 12.4 6.7 19.8