==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-APR-12 4ETK . COMPND 2 MOLECULE: DE NOVO DESIGNED SERINE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTIFICIAL GENE; . AUTHOR A.KUZIN,M.SU,J.SEETHARAMAN,K.KORNHABER,G.KORNHABER,S.RAJAGOP . 331 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16739.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 80.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 37 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 0 0 0 0 0 1 3 0 1 0 2 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 0 0 4 0 2 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 . 0 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 A 0 0 13 0, 0.0 136,-0.2 0, 0.0 139,-0.1 0.000 360.0 360.0 360.0 139.0 10.1 73.2 -2.0 2 3 A R E -a 140 0A 139 137,-0.8 139,-1.8 135,-0.1 2,-0.4 -0.156 360.0-152.3 -63.4 153.7 9.0 70.6 0.5 3 4 A I E -a 141 0A 36 137,-0.1 2,-0.3 139,-0.1 139,-0.2 -0.967 10.6-173.4-136.4 120.4 8.7 71.3 4.3 4 5 A R E -a 142 0A 66 137,-2.2 139,-3.6 -2,-0.4 2,-0.4 -0.802 14.5-151.8-104.0 151.8 9.0 69.0 7.2 5 6 A A E +a 143 0A 6 -2,-0.3 2,-0.3 137,-0.2 139,-0.2 -0.969 24.0 157.3-131.0 118.5 8.3 70.3 10.7 6 7 A V E -a 144 0A 45 137,-2.8 139,-3.5 -2,-0.4 2,-0.3 -0.981 39.8-121.3-141.7 153.5 9.9 68.9 13.8 7 8 A Q E +a 145 0A 88 -2,-0.3 2,-0.3 137,-0.2 139,-0.2 -0.646 65.6 87.9 -83.8 144.4 10.7 69.8 17.4 8 9 A G S S- 0 0 28 137,-2.5 2,-0.5 -2,-0.3 5,-0.1 -0.982 76.6 -50.0 159.5-169.1 14.4 69.5 18.1 9 10 A D > - 0 0 85 -2,-0.3 3,-1.4 1,-0.1 136,-0.1 -0.894 29.2-153.8-105.0 127.8 17.9 71.2 18.2 10 11 A I G > S+ 0 0 9 -2,-0.5 3,-1.6 1,-0.3 -1,-0.1 0.779 97.3 65.0 -67.4 -26.1 19.0 72.9 15.0 11 12 A T G 3 S+ 0 0 2 1,-0.3 -1,-0.3 56,-0.1 58,-0.1 0.587 102.1 50.8 -71.9 -10.5 22.6 72.3 16.1 12 13 A E G < S+ 0 0 22 -3,-1.4 2,-0.3 55,-0.1 -1,-0.3 0.154 79.3 126.1-113.1 17.8 21.7 68.6 15.6 13 14 A F < - 0 0 15 -3,-1.6 2,-0.7 -5,-0.1 95,-0.1 -0.616 50.3-147.8 -78.5 135.1 20.3 68.8 12.1 14 15 A Q + 0 0 37 -2,-0.3 2,-0.3 55,-0.1 55,-0.2 -0.903 52.1 72.3-107.1 110.5 21.9 66.5 9.7 15 16 A G E S-b 69 0A 12 53,-1.5 55,-0.9 -2,-0.7 92,-0.1 -0.961 92.0 -53.7 179.3-160.6 22.1 67.8 6.2 16 17 A D E S- 0 0 15 90,-1.2 55,-2.3 -2,-0.3 54,-0.8 0.926 104.3 -21.3 -72.2 -44.2 23.6 70.2 3.6 17 18 A A E -bc 71 107A 0 89,-2.1 91,-1.5 53,-0.2 2,-0.3 -0.970 44.2-137.9-159.8 173.5 22.9 73.3 5.7 18 19 A I E -bc 72 108A 1 53,-1.4 55,-2.4 -2,-0.3 2,-0.5 -0.990 26.5-129.4-136.8 140.1 21.1 75.3 8.3 19 20 A V E -b 73 0A 11 89,-2.6 2,-0.6 -2,-0.3 91,-0.3 -0.820 17.3-156.8 -96.9 128.2 19.9 78.9 8.0 20 21 A N E -b 74 0A 10 53,-3.8 55,-1.8 -2,-0.5 89,-0.0 -0.888 13.0-138.1-108.6 109.7 20.8 81.4 10.8 21 22 A A E +b 75 0A 57 -2,-0.6 2,-0.3 53,-0.2 55,-0.2 -0.422 45.3 163.9 -58.4 136.1 18.7 84.5 11.3 22 23 A A E -b 76 0A 14 53,-2.3 55,-2.3 6,-0.1 56,-1.1 -0.873 44.6 -99.9-148.9 178.6 21.2 87.2 11.8 23 24 A N E > -b 78 0A 39 -2,-0.3 3,-2.3 4,-0.2 56,-0.3 -0.765 46.8-109.6 -98.8 152.9 22.1 90.9 12.0 24 25 A N T 3 S+ 0 0 0 54,-1.5 30,-2.2 -2,-0.3 55,-0.1 0.426 117.0 65.1 -66.8 4.5 23.8 92.2 8.8 25 26 A Y T 3 S- 0 0 86 28,-0.2 -1,-0.3 2,-0.1 27,-0.1 0.456 106.0-128.6 -99.5 -6.1 27.1 92.5 10.7 26 27 A L < + 0 0 0 -3,-2.3 2,-0.8 1,-0.2 -2,-0.1 0.819 53.8 152.6 63.0 34.7 27.2 88.7 11.1 27 28 A K - 0 0 99 -4,-0.1 2,-0.4 21,-0.1 -4,-0.2 -0.857 39.0-141.5 -99.8 108.6 27.7 88.9 14.8 28 29 A L - 0 0 28 -2,-0.8 -6,-0.1 -3,-0.1 17,-0.0 -0.552 25.5-176.3 -72.3 122.3 26.3 85.8 16.4 29 30 A G - 0 0 48 -2,-0.4 8,-0.2 1,-0.2 -1,-0.1 0.392 30.1 -51.8 -92.3-135.2 24.6 86.5 19.7 30 31 A A S > S+ 0 0 92 3,-0.2 3,-0.7 4,-0.1 4,-0.4 -0.305 93.7 32.4 -99.2-176.1 23.0 84.4 22.4 31 32 A G T 3> S- 0 0 47 1,-0.2 4,-1.7 2,-0.2 5,-0.1 -0.451 127.2 -7.6 70.6-139.3 20.2 81.8 22.4 32 33 A V H 3> S+ 0 0 41 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.936 137.5 53.7 -56.2 -51.5 20.1 79.6 19.3 33 34 A A H <> S+ 0 0 18 -3,-0.7 4,-1.7 1,-0.3 3,-0.4 0.909 110.2 46.0 -49.2 -52.4 22.7 81.7 17.4 34 35 A G H > S+ 0 0 20 -4,-0.4 4,-2.8 1,-0.2 -1,-0.3 0.825 107.8 58.9 -62.0 -31.3 25.2 81.4 20.2 35 36 A A H X S+ 0 0 34 -4,-1.7 4,-2.4 -3,-0.3 5,-0.4 0.858 104.5 50.4 -65.1 -35.4 24.4 77.7 20.4 36 37 A I H X S+ 0 0 3 -4,-1.8 4,-1.9 -3,-0.4 5,-0.4 0.873 111.7 47.6 -69.3 -37.9 25.4 77.4 16.7 37 38 A L H X S+ 0 0 50 -4,-1.7 4,-2.6 3,-0.2 -2,-0.2 0.897 114.2 48.5 -69.5 -40.7 28.7 79.2 17.6 38 39 A R H < S+ 0 0 193 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.998 121.9 30.0 -61.0 -71.3 29.2 76.9 20.6 39 40 A K H < S+ 0 0 80 -4,-2.4 27,-0.4 1,-0.2 -3,-0.2 0.860 125.7 49.2 -59.9 -37.6 28.6 73.5 18.9 40 41 A G H < S- 0 0 1 -4,-1.9 26,-2.5 -5,-0.4 -3,-0.2 0.985 106.5-134.7 -66.8 -58.4 29.9 74.8 15.6 41 42 A G >X - 0 0 8 -4,-2.6 3,-1.6 -5,-0.4 4,-0.6 -0.461 27.3 -61.6 122.4 164.2 33.1 76.4 16.8 42 43 A P H 3> S+ 0 0 92 0, 0.0 4,-2.1 0, 0.0 3,-0.4 0.835 116.9 73.9 -48.4 -42.7 35.2 79.6 16.5 43 44 A S H 3> S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 20,-0.2 0.756 90.0 59.2 -46.8 -33.2 35.7 79.1 12.8 44 45 A I H <> S+ 0 0 0 -3,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.975 108.4 40.1 -65.3 -55.9 32.1 80.1 12.0 45 46 A Q H X S+ 0 0 31 -4,-0.6 4,-1.9 -3,-0.4 -1,-0.2 0.855 112.7 60.2 -61.7 -31.5 32.3 83.6 13.5 46 47 A E H X S+ 0 0 88 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.924 106.3 44.1 -60.4 -48.1 35.8 83.9 12.0 47 48 A E H X S+ 0 0 71 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.880 110.3 56.8 -65.4 -36.9 34.5 83.4 8.5 48 49 A C H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.861 107.6 48.9 -61.5 -34.6 31.7 85.8 9.3 49 50 A D H < S+ 0 0 82 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.934 106.5 55.1 -69.9 -45.3 34.3 88.4 10.2 50 51 A R H < S+ 0 0 185 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.829 112.7 43.9 -55.8 -34.8 36.2 87.8 7.0 51 52 A I H < S- 0 0 79 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.902 95.1-174.5 -77.2 -45.9 33.0 88.5 5.0 52 53 A G < - 0 0 23 -4,-2.3 -1,-0.1 -5,-0.2 -2,-0.1 -0.280 38.9 -3.4 81.4-169.1 32.0 91.6 7.1 53 54 A K + 0 0 133 -4,-0.1 2,-0.3 -28,-0.1 -28,-0.2 -0.146 62.0 173.5 -57.8 148.8 28.9 93.7 6.9 54 55 A I - 0 0 27 -30,-2.2 2,-0.2 4,-0.1 6,-0.1 -0.797 38.6 -73.5-141.4-177.0 26.2 92.9 4.3 55 56 A R > - 0 0 173 -2,-0.3 3,-1.7 4,-0.1 2,-0.4 -0.522 46.4-104.2 -86.5 152.8 22.7 94.3 3.6 56 57 A V T 3 S+ 0 0 18 1,-0.2 21,-0.2 -2,-0.2 3,-0.1 -0.625 113.3 33.3 -72.0 127.1 19.7 93.5 5.7 57 58 A G T 3 S+ 0 0 3 19,-2.7 37,-0.4 1,-0.5 -1,-0.2 0.184 101.7 100.1 110.0 -15.6 17.7 91.0 3.6 58 59 A E < - 0 0 65 -3,-1.7 18,-2.3 36,-0.1 -1,-0.5 -0.447 61.3-135.9 -96.3 173.9 20.8 89.4 2.1 59 60 A A E -D 75 0A 11 16,-0.2 2,-0.3 35,-0.2 16,-0.2 -0.877 9.8-162.6-130.1 160.8 22.5 86.2 3.0 60 61 A A E -D 74 0A 8 14,-2.0 14,-3.5 -2,-0.3 2,-0.3 -0.994 17.3-133.2-142.9 139.2 26.1 85.0 3.5 61 62 A V E +D 73 0A 36 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.705 25.3 174.3 -98.6 148.9 27.4 81.4 3.5 62 63 A T E -D 72 0A 2 10,-1.0 10,-2.9 -2,-0.3 2,-0.1 -0.969 38.1 -94.5-147.2 155.8 29.8 80.0 6.1 63 64 A G E -D 71 0A 19 -2,-0.3 8,-0.3 8,-0.2 -16,-0.1 -0.467 34.4-129.9 -70.2 150.6 31.3 76.6 7.0 64 65 A A > - 0 0 3 6,-1.9 3,-1.8 1,-0.2 5,-0.2 0.271 29.1-150.8 -88.6 12.9 29.3 74.7 9.6 65 66 A G T 3 - 0 0 37 1,-0.2 -1,-0.2 5,-0.2 -24,-0.2 -0.262 68.7 -16.3 57.4-138.3 32.2 73.9 12.0 66 67 A N T 3 S+ 0 0 123 -26,-2.5 -1,-0.2 -27,-0.4 -26,-0.2 0.446 107.5 117.6 -79.0 -1.0 31.7 70.7 14.0 67 68 A L S < S- 0 0 5 -3,-1.8 2,-1.1 -31,-0.1 -55,-0.1 -0.322 81.3-109.0 -68.3 150.9 28.0 70.7 13.3 68 69 A P S S+ 0 0 0 0, 0.0 -53,-1.5 0, 0.0 2,-0.3 -0.041 94.6 74.7 -72.3 33.8 26.4 67.8 11.3 69 70 A V E S-b 15 0A 3 -2,-1.1 -53,-0.2 -55,-0.2 -5,-0.2 -0.938 78.5-127.5-139.8 162.0 25.9 70.0 8.2 70 71 A R E S+ 0 0 61 -55,-0.9 -6,-1.9 -54,-0.8 2,-0.3 0.920 84.5 18.3 -78.6 -45.2 28.2 71.4 5.5 71 72 A Y E -bD 17 63A 68 -55,-2.3 -53,-1.4 -8,-0.3 2,-0.5 -0.895 54.4-144.6-132.1 160.1 27.2 75.1 5.7 72 73 A V E -bD 18 62A 0 -10,-2.9 -10,-1.0 -2,-0.3 2,-0.6 -0.967 21.6-153.1-122.0 109.8 25.6 77.7 7.8 73 74 A I E -bD 19 61A 0 -55,-2.4 -53,-3.8 -2,-0.5 2,-0.6 -0.770 7.1-152.9 -88.0 117.2 23.6 80.2 5.8 74 75 A H E -bD 20 60A 0 -14,-3.5 -14,-2.0 -2,-0.6 2,-0.6 -0.823 9.6-169.4 -94.9 115.2 23.4 83.6 7.5 75 76 A A E -bD 21 59A 3 -55,-1.8 -53,-2.3 -2,-0.6 2,-0.5 -0.905 17.5-138.2-110.4 111.0 20.3 85.6 6.6 76 77 A A E +b 22 0A 0 -18,-2.3 -19,-2.7 -2,-0.6 -53,-0.2 -0.527 32.3 163.5 -69.5 115.2 20.3 89.2 7.8 77 78 A V E - 0 0 24 -55,-2.3 7,-0.6 -2,-0.5 2,-0.3 0.522 68.4 -2.1-106.6 -13.9 16.8 90.1 9.0 78 79 A L E S+b 23 0A 69 -56,-1.1 -54,-1.5 5,-0.2 -1,-0.3 -0.975 70.6 107.1-165.9 171.2 17.9 93.2 10.9 79 80 A G S S+ 0 0 30 2,-1.9 -56,-0.1 -2,-0.3 4,-0.1 -0.579 92.9 36.5 151.1 -80.5 20.8 95.4 12.0 80 81 A D S S+ 0 0 83 -2,-0.1 -25,-0.0 1,-0.1 -57,-0.0 0.791 134.4 20.6 -71.0 -26.5 20.9 98.7 10.1 81 82 A E S S- 0 0 99 1,-0.0 -2,-1.9 3,-0.0 -1,-0.1 -0.939 99.7 -85.8-138.0 158.5 17.2 98.7 10.3 82 83 A P - 0 0 109 0, 0.0 2,-0.2 0, 0.0 5,-0.1 -0.185 52.6 -93.2 -63.8 159.0 14.6 96.9 12.5 83 84 A A + 0 0 29 4,-0.1 2,-0.3 -4,-0.1 -5,-0.2 -0.510 51.2 175.1 -72.4 139.2 13.4 93.5 11.6 84 85 A S > - 0 0 39 -7,-0.6 4,-2.5 -2,-0.2 5,-0.2 -0.968 49.6-111.2-143.1 157.4 10.2 93.4 9.5 85 86 A L H > S+ 0 0 60 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.769 124.7 56.5 -59.2 -19.0 8.1 90.8 7.8 86 87 A E H > S+ 0 0 100 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.947 106.7 44.0 -75.3 -50.0 9.5 92.6 4.7 87 88 A T H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.785 113.5 54.2 -66.5 -26.1 13.2 92.1 5.7 88 89 A V H X S+ 0 0 11 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.943 103.1 52.6 -73.0 -47.8 12.3 88.4 6.6 89 90 A R H X S+ 0 0 66 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.913 115.4 45.3 -52.7 -42.4 10.8 87.5 3.3 90 91 A K H X S+ 0 0 115 -4,-1.7 4,-3.1 2,-0.2 5,-0.2 0.942 109.9 50.5 -66.5 -53.0 14.0 88.9 1.7 91 92 A A H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.866 112.9 50.7 -55.5 -35.5 16.5 87.2 4.1 92 93 A T H X S+ 0 0 3 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.966 111.1 44.0 -68.4 -54.1 14.6 83.9 3.4 93 94 A K H X S+ 0 0 105 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.936 114.8 52.8 -56.8 -42.9 14.7 84.2 -0.4 94 95 A S H X S+ 0 0 21 -4,-3.1 4,-1.6 -37,-0.4 -1,-0.2 0.925 110.7 44.4 -58.2 -47.6 18.3 85.3 -0.1 95 96 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.889 112.4 54.4 -64.7 -36.5 19.3 82.3 2.0 96 97 A L H X S+ 0 0 9 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.818 105.8 52.5 -66.5 -30.4 17.2 80.1 -0.4 97 98 A E H X S+ 0 0 84 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.840 107.3 51.0 -74.2 -35.1 19.3 81.4 -3.3 98 99 A K H X S+ 0 0 46 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.935 107.3 54.2 -65.1 -46.2 22.6 80.6 -1.7 99 100 A A H <>S+ 0 0 2 -4,-2.0 5,-3.2 1,-0.2 -2,-0.2 0.898 112.6 43.6 -53.3 -44.7 21.3 77.0 -1.1 100 101 A V H ><5S+ 0 0 67 -4,-1.6 3,-1.3 3,-0.2 -1,-0.2 0.890 110.3 56.0 -68.3 -41.5 20.5 76.7 -4.8 101 102 A E H 3<5S+ 0 0 136 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.919 110.9 43.6 -56.7 -46.8 23.8 78.3 -5.7 102 103 A L T 3<5S- 0 0 70 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.384 114.5-117.6 -80.9 1.8 25.8 75.7 -3.7 103 104 A G T < 5 + 0 0 52 -3,-1.3 -3,-0.2 -5,-0.2 -2,-0.1 0.865 52.1 173.4 64.4 37.8 23.6 72.9 -5.1 104 105 A L < - 0 0 4 -5,-3.2 -1,-0.1 -6,-0.2 3,-0.1 -0.226 23.1-174.2 -73.0 165.8 22.3 72.0 -1.6 105 106 A K + 0 0 96 1,-0.2 35,-1.6 34,-0.1 2,-0.4 0.590 68.7 42.5-133.1 -27.1 19.5 69.5 -1.1 106 107 A T E + e 0 140A 31 33,-0.2 -89,-2.1 -7,-0.1 -90,-1.2 -0.908 64.7 166.0-131.4 106.6 18.6 69.4 2.6 107 108 A V E -ce 17 141A 2 33,-1.2 35,-2.6 -2,-0.4 2,-0.4 -0.923 17.4-155.8-122.7 146.2 18.3 72.7 4.5 108 109 A A E -ce 18 142A 0 -91,-1.5 -89,-2.6 -2,-0.4 2,-0.2 -0.973 4.7-169.0-127.7 131.0 16.8 73.6 7.8 109 110 A F E - e 0 143A 9 33,-2.0 35,-2.6 -2,-0.4 2,-0.4 -0.620 25.3-118.3-103.7 166.9 15.4 76.8 9.2 110 111 A T E - e 0 144A 26 -91,-0.3 2,-0.8 -2,-0.2 35,-0.2 -0.917 9.1-153.2-113.7 137.0 14.5 77.5 12.8 111 112 A A E - e 0 145A 15 33,-2.3 35,-1.0 -2,-0.4 4,-0.1 -0.834 10.9-172.2-107.8 91.7 11.1 78.3 14.1 112 113 A L > - 0 0 57 -2,-0.8 3,-3.2 1,-0.2 -1,-0.1 0.488 14.4-172.7 -61.2 -8.0 11.8 80.4 17.3 113 114 A G G > S+ 0 0 23 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 -0.217 73.9 5.0 50.3-123.6 8.1 80.4 18.2 114 115 A A G 3 S+ 0 0 102 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.575 128.0 68.4 -66.9 -9.2 7.7 82.7 21.2 115 116 A W G < + 0 0 196 -3,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.241 64.4 106.7 -94.4 12.7 11.3 83.5 20.9 116 117 A V < - 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0 0 11 -5,-2.4 -1,-0.1 -6,-0.2 3,-0.1 -0.207 23.7-173.6 -66.9 157.9 9.0 51.2 -0.2 272 106 B K + 0 0 122 1,-0.3 35,-2.7 34,-0.1 2,-0.5 0.702 69.7 42.8-117.0 -47.6 10.1 54.8 0.4 273 107 B T E + j 0 307B 45 33,-0.2 -89,-1.7 35,-0.1 -90,-1.2 -0.921 61.8 168.4-114.6 120.9 10.8 55.0 4.1 274 108 B V E -hj 184 308B 3 33,-2.0 35,-2.6 -2,-0.5 2,-0.4 -0.969 15.9-154.9-129.5 143.2 12.7 52.4 6.1 275 109 B A E -hj 185 309B 0 -91,-1.8 -89,-2.7 -2,-0.4 2,-0.2 -0.908 7.6-165.2-118.8 145.8 14.1 52.4 9.6 276 110 B F E - j 0 310B 9 33,-2.3 35,-1.8 -2,-0.4 2,-0.6 -0.735 22.9-115.3-121.4 173.0 17.0 50.4 11.1 277 111 B T E - j 0 311B 32 -91,-0.3 2,-2.2 -2,-0.2 35,-0.2 -0.867 11.4-157.4-116.9 99.8 18.2 49.7 14.6 278 112 B A E - j 0 312B 12 33,-1.6 35,-0.8 -2,-0.6 3,-0.1 -0.550 15.9-173.7 -71.0 86.3 21.7 51.0 15.4 279 113 B L > + 0 0 65 -2,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.714 16.5 172.2 -58.7 -21.3 22.0 48.4 18.2 280 114 B G G > + 0 0 21 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 -0.187 66.0 3.8 51.3-127.1 25.2 50.1 19.2 281 115 B A G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.243 126.6 68.2 -75.3 15.2 26.7 48.7 22.5 282 116 B W G < S+ 0 0 197 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.047 74.2 86.0-119.3 21.3 23.9 46.2 22.6 283 117 B V X + 0 0 39 -3,-1.3 3,-0.6 1,-0.2 2,-0.5 0.520 62.7 175.0 -94.3 -13.2 25.2 44.3 19.6 284 118 B G T 3 + 0 0 64 1,-0.2 -1,-0.2 -4,-0.1 4,-0.2 -0.178 58.9 59.8 46.8 -94.4 27.4 42.2 21.8 285 119 B G T 3 S+ 0 0 77 -2,-0.5 -1,-0.2 -3,-0.1 -2,-0.0 0.777 108.7 28.2 -24.0 -79.6 28.9 39.8 19.4 286 120 B L S < S- 0 0 36 -3,-0.6 2,-0.8 1,-0.1 -3,-0.1 -0.451 101.4 -81.7 -91.9 164.9 30.7 42.0 16.9 287 121 B P >> - 0 0 83 0, 0.0 4,-2.0 0, 0.0 3,-0.6 -0.547 36.7-139.8 -69.4 106.3 32.2 45.5 17.3 288 122 B A H 3> S+ 0 0 26 -2,-0.8 4,-2.7 1,-0.2 5,-0.3 0.782 99.7 58.6 -31.7 -47.1 29.3 47.9 17.0 289 123 B E H 3> S+ 0 0 140 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.966 108.9 40.8 -50.5 -64.5 31.5 50.3 15.0 290 124 B A H <> S+ 0 0 15 -3,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.870 115.0 53.3 -54.9 -41.1 32.3 47.8 12.3 291 125 B V H X S+ 0 0 19 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.896 110.6 44.7 -65.2 -41.0 28.7 46.5 12.2 292 126 B L H X S+ 0 0 42 -4,-2.7 4,-1.8 -5,-0.3 -2,-0.2 0.914 113.0 53.4 -68.9 -38.9 27.2 50.0 11.8 293 127 B R H X S+ 0 0 152 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.863 106.0 53.1 -62.5 -38.9 29.8 50.7 9.1 294 128 B V H X S+ 0 0 9 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.981 112.7 41.0 -63.0 -56.7 29.0 47.6 7.1 295 129 B X H X S+ 0 0 24 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.801 111.1 59.8 -63.5 -24.9 25.3 48.3 6.9 296 130 B D H X S+ 0 0 28 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.954 105.7 47.4 -65.3 -47.2 26.1 52.0 6.3 297 131 B E H X S+ 0 0 95 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.901 114.1 47.7 -59.1 -43.0 28.1 50.9 3.2 298 132 B E H X S+ 0 0 10 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.870 109.5 51.9 -68.0 -37.7 25.3 48.7 2.0 299 133 B I H < S+ 0 0 5 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.866 104.6 56.8 -67.7 -35.2 22.6 51.4 2.5 300 134 B K H < S+ 0 0 76 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.830 106.3 52.2 -64.0 -31.1 24.6 53.9 0.5 301 135 B K H < S+ 0 0 148 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.911 91.4 92.4 -70.0 -45.7 24.5 51.5 -2.4 302 136 B A S < S- 0 0 12 -4,-1.6 4,-0.1 1,-0.1 -38,-0.0 0.044 94.7 -71.0 -49.0 156.9 20.7 50.9 -2.4 303 137 B P > - 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0 0 81 1,-0.1 4,-1.4 -3,-0.0 3,-0.3 -0.862 69.2-150.7-110.3 139.0 21.4 56.4 22.7 315 149 B E H > S+ 0 0 79 -2,-0.4 4,-2.9 1,-0.2 3,-0.4 0.929 100.4 59.1 -68.0 -46.4 21.6 60.1 21.9 316 150 B K H 4 S+ 0 0 171 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.730 109.1 49.2 -55.2 -20.8 25.4 60.2 22.4 317 151 B S H > S+ 0 0 38 -3,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.822 109.2 46.8 -89.5 -36.5 25.4 57.6 19.7 318 152 B A H X S+ 0 0 0 -4,-1.4 4,-3.3 -3,-0.4 5,-0.3 0.890 109.4 55.9 -71.6 -39.6 23.2 59.4 17.1 319 153 B E H X S+ 0 0 54 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.845 110.6 46.1 -59.6 -34.5 25.1 62.6 17.6 320 154 B A H > S+ 0 0 58 -4,-0.5 4,-2.5 -5,-0.3 -1,-0.2 0.908 113.2 47.9 -74.7 -43.5 28.2 60.6 16.7 321 155 B H H X S+ 0 0 12 -4,-2.1 4,-3.4 2,-0.2 5,-0.3 0.925 107.2 55.8 -63.0 -47.5 26.6 59.0 13.7 322 156 B R H X S+ 0 0 15 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.870 112.2 44.0 -52.4 -41.2 25.2 62.2 12.3 323 157 B R H X S+ 0 0 68 -4,-1.1 4,-3.1 -5,-0.3 5,-0.2 0.929 112.7 51.4 -70.7 -46.3 28.7 63.6 12.4 324 158 B A H X S+ 0 0 56 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.932 110.4 48.3 -56.3 -49.9 30.2 60.5 10.9 325 159 B L H X S+ 0 0 8 -4,-3.4 4,-1.5 1,-0.2 3,-0.3 0.883 114.2 47.8 -58.1 -39.7 27.7 60.4 8.0 326 160 B L H < S+ 0 0 19 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.898 108.1 52.1 -69.7 -42.9 28.4 64.1 7.4 327 161 B E H < S+ 0 0 128 -4,-3.1 3,-0.5 1,-0.2 4,-0.3 0.615 106.8 59.0 -69.3 -9.2 32.2 63.7 7.5 328 162 B H H >X S+ 0 0 80 -4,-0.7 4,-1.8 -3,-0.3 3,-1.3 0.887 102.7 47.6 -81.9 -46.4 31.6 60.9 4.9 329 163 B H T 3< S+ 0 0 80 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.1 -0.055 104.3 68.4 -84.4 32.4 29.9 63.3 2.4 330 164 B H T 34 S+ 0 0 104 -3,-0.5 -1,-0.3 -5,-0.1 -2,-0.2 0.487 118.2 15.8-119.7 -24.3 33.0 65.5 3.2 331 165 B H T <4 0 0 140 -3,-1.3 -2,-0.2 -4,-0.3 -3,-0.1 0.348 360.0 360.0-130.0 -4.4 35.4 63.1 1.5 332 166 B H < 0 0 163 -4,-1.8 -3,-0.2 -5,-0.0 -4,-0.1 0.933 360.0 360.0 49.5 360.0 33.0 61.0 -0.5